data_10193_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10193
_Entry.PDB_ID 2YUM
_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 9 9 GLN CA C 9 56.082 54.870 1.212 1
1 2 . 1 1 1 A 9 9 GLN HA H 9 4.326 4.537 -0.211 1
1 3 . 1 1 1 A 9 9 GLN CB C 9 29.035 28.862 0.173 1
1 9 . 1 1 1 A 9 9 GLN C C 9 176.519 175.688 0.831 1
1 10 . 1 1 1 A 10 10 LEU N N 10 124.239 121.880 2.359 1
1 11 . 1 1 1 A 10 10 LEU H H 10 8.287 7.464 0.823 1
1 12 . 1 1 1 A 10 10 LEU CA C 10 55.553 53.931 1.622 1
1 13 . 1 1 1 A 10 10 LEU HA H 10 4.390 4.609 -0.219 1
1 14 . 1 1 1 A 10 10 LEU CB C 10 42.168 43.550 -1.382 1
1 27 . 1 1 1 A 10 10 LEU C C 10 177.357 177.319 0.038 1
1 28 . 1 1 1 A 11 11 TRP N N 11 124.940 122.126 2.814 1
1 29 . 1 1 1 A 11 11 TRP H H 11 8.879 8.616 0.263 1
1 30 . 1 1 1 A 11 11 TRP CA C 11 56.849 58.235 -1.386 1
1 31 . 1 1 1 A 11 11 TRP HA H 11 4.668 4.762 -0.094 1
1 32 . 1 1 1 A 11 11 TRP CB C 11 28.603 30.229 -1.626 1
1 47 . 1 1 1 A 11 11 TRP C C 11 177.416 176.159 1.257 1
1 48 . 1 1 1 A 12 12 THR N N 12 115.857 114.822 1.035 1
1 49 . 1 1 1 A 12 12 THR H H 12 8.760 8.360 0.400 1
1 50 . 1 1 1 A 12 12 THR CA C 12 60.885 59.294 1.591 1
1 51 . 1 1 1 A 12 12 THR HA H 12 4.509 5.064 -0.555 1
1 52 . 1 1 1 A 12 12 THR CB C 12 71.142 70.790 0.352 1
1 58 . 1 1 1 A 12 12 THR C C 12 175.828 175.247 0.581 1
1 59 . 1 1 1 A 13 13 VAL N N 13 121.033 127.635 -6.602 1
1 60 . 1 1 1 A 13 13 VAL H H 13 8.782 8.842 -0.060 1
1 61 . 1 1 1 A 13 13 VAL CA C 13 66.558 65.547 1.011 1
1 62 . 1 1 1 A 13 13 VAL HA H 13 3.784 3.831 -0.047 1
1 63 . 1 1 1 A 13 13 VAL CB C 13 31.659 31.872 -0.213 1
1 73 . 1 1 1 A 13 13 VAL C C 13 178.595 177.563 1.032 1
1 74 . 1 1 1 A 14 14 GLU N N 14 119.290 121.481 -2.191 1
1 75 . 1 1 1 A 14 14 GLU H H 14 8.586 8.474 0.112 1
1 76 . 1 1 1 A 14 14 GLU CA C 14 60.285 59.914 0.371 1
1 77 . 1 1 1 A 14 14 GLU HA H 14 4.024 3.962 0.062 1
1 78 . 1 1 1 A 14 14 GLU CB C 14 29.039 29.151 -0.112 1
1 84 . 1 1 1 A 14 14 GLU C C 14 179.736 179.169 0.567 1
1 85 . 1 1 1 A 15 15 GLU N N 15 121.533 119.850 1.683 1
1 86 . 1 1 1 A 15 15 GLU H H 15 7.934 8.111 -0.177 1
1 87 . 1 1 1 A 15 15 GLU CA C 15 59.834 59.372 0.462 1
1 88 . 1 1 1 A 15 15 GLU HA H 15 3.990 4.206 -0.216 1
1 89 . 1 1 1 A 15 15 GLU CB C 15 31.315 29.579 1.736 1
1 95 . 1 1 1 A 15 15 GLU C C 15 178.886 179.516 -0.630 1
1 96 . 1 1 1 A 16 16 GLN N N 16 119.475 119.476 -0.001 1
1 97 . 1 1 1 A 16 16 GLN H H 16 8.595 8.744 -0.149 1
1 98 . 1 1 1 A 16 16 GLN CA C 16 59.369 59.652 -0.283 1
1 99 . 1 1 1 A 16 16 GLN HA H 16 4.104 4.208 -0.104 1
1 100 . 1 1 1 A 16 16 GLN CB C 16 28.376 28.471 -0.095 1
1 109 . 1 1 1 A 16 16 GLN C C 16 178.548 178.350 0.198 1
1 110 . 1 1 1 A 17 17 LYS N N 17 119.404 118.726 0.678 1
1 111 . 1 1 1 A 17 17 LYS H H 17 8.241 8.288 -0.047 1
1 112 . 1 1 1 A 17 17 LYS CA C 17 59.175 59.477 -0.302 1
1 113 . 1 1 1 A 17 17 LYS HA H 17 4.103 4.104 -0.001 1
1 114 . 1 1 1 A 17 17 LYS CB C 17 31.980 32.431 -0.451 1
1 126 . 1 1 1 A 17 17 LYS C C 17 179.663 178.891 0.772 1
1 127 . 1 1 1 A 18 18 LYS N N 18 120.546 119.693 0.853 1
1 128 . 1 1 1 A 18 18 LYS H H 18 7.852 7.587 0.265 1
1 129 . 1 1 1 A 18 18 LYS CA C 18 59.432 59.842 -0.410 1
1 130 . 1 1 1 A 18 18 LYS HA H 18 4.157 4.100 0.057 1
1 131 . 1 1 1 A 18 18 LYS CB C 18 32.166 32.563 -0.397 1
1 143 . 1 1 1 A 18 18 LYS C C 18 179.003 178.496 0.507 1
1 144 . 1 1 1 A 19 19 LEU N N 19 120.782 120.632 0.150 1
1 145 . 1 1 1 A 19 19 LEU H H 19 8.639 8.712 -0.073 1
1 146 . 1 1 1 A 19 19 LEU CA C 19 58.729 58.798 -0.069 1
1 147 . 1 1 1 A 19 19 LEU HA H 19 4.042 4.159 -0.117 1
1 148 . 1 1 1 A 19 19 LEU CB C 19 41.465 41.919 -0.454 1
1 161 . 1 1 1 A 19 19 LEU C C 19 177.410 178.457 -1.047 1
1 162 . 1 1 1 A 20 20 GLU N N 20 116.982 118.033 -1.051 1
1 163 . 1 1 1 A 20 20 GLU H H 20 7.981 8.377 -0.396 1
1 164 . 1 1 1 A 20 20 GLU CA C 20 60.285 59.846 0.439 1
1 165 . 1 1 1 A 20 20 GLU HA H 20 3.647 4.084 -0.437 1
1 166 . 1 1 1 A 20 20 GLU CB C 20 29.612 29.391 0.221 1
1 172 . 1 1 1 A 20 20 GLU C C 20 179.066 179.245 -0.179 1
1 173 . 1 1 1 A 21 21 GLN N N 21 115.877 118.967 -3.090 1
1 174 . 1 1 1 A 21 21 GLN H H 21 7.518 7.618 -0.100 1
1 175 . 1 1 1 A 21 21 GLN CA C 21 58.409 58.988 -0.579 1
1 176 . 1 1 1 A 21 21 GLN HA H 21 4.112 4.087 0.025 1
1 177 . 1 1 1 A 21 21 GLN CB C 21 28.405 28.558 -0.153 1
1 186 . 1 1 1 A 21 21 GLN C C 21 180.271 178.754 1.517 1
1 187 . 1 1 1 A 22 22 LEU N N 22 123.461 120.994 2.467 1
1 188 . 1 1 1 A 22 22 LEU H H 22 8.775 8.274 0.501 1
1 189 . 1 1 1 A 22 22 LEU CA C 22 57.782 58.082 -0.300 1
1 190 . 1 1 1 A 22 22 LEU HA H 22 4.243 4.077 0.166 1
1 191 . 1 1 1 A 22 22 LEU CB C 22 42.687 41.726 0.961 1
1 204 . 1 1 1 A 22 22 LEU C C 22 178.112 179.471 -1.359 1
1 205 . 1 1 1 A 23 23 LEU N N 23 119.576 119.319 0.257 1
1 206 . 1 1 1 A 23 23 LEU H H 23 8.260 8.636 -0.376 1
1 207 . 1 1 1 A 23 23 LEU CA C 23 57.281 58.408 -1.127 1
1 208 . 1 1 1 A 23 23 LEU HA H 23 4.174 4.109 0.065 1
1 209 . 1 1 1 A 23 23 LEU CB C 23 42.175 41.780 0.395 1
1 222 . 1 1 1 A 23 23 LEU C C 23 177.927 179.305 -1.378 1
1 223 . 1 1 1 A 24 24 ILE N N 24 116.614 119.547 -2.933 1
1 224 . 1 1 1 A 24 24 ILE H H 24 6.949 8.247 -1.298 1
1 225 . 1 1 1 A 24 24 ILE CA C 24 62.755 65.578 -2.823 1
1 226 . 1 1 1 A 24 24 ILE HA H 24 3.787 3.641 0.146 1
1 227 . 1 1 1 A 24 24 ILE CB C 24 38.208 37.667 0.541 1
1 240 . 1 1 1 A 24 24 ILE C C 24 177.066 178.064 -0.998 1
1 241 . 1 1 1 A 25 25 LYS N N 25 121.060 122.412 -1.352 1
1 242 . 1 1 1 A 25 25 LYS H H 25 7.421 7.804 -0.383 1
1 243 . 1 1 1 A 25 25 LYS CA C 25 59.281 58.934 0.347 1
1 244 . 1 1 1 A 25 25 LYS HA H 25 3.726 3.984 -0.258 1
1 245 . 1 1 1 A 25 25 LYS CB C 25 34.011 32.175 1.836 1
1 257 . 1 1 1 A 25 25 LYS C C 25 175.900 176.196 -0.296 1
1 258 . 1 1 1 A 26 26 TYR N N 26 117.015 116.710 0.305 1
1 259 . 1 1 1 A 26 26 TYR H H 26 8.124 8.498 -0.374 1
1 260 . 1 1 1 A 26 26 TYR CA C 26 54.995 55.026 -0.031 1
1 261 . 1 1 1 A 26 26 TYR HA H 26 4.988 5.009 -0.021 1
1 262 . 1 1 1 A 26 26 TYR CB C 26 37.055 38.587 -1.532 1
1 273 . 1 1 1 A 27 27 PRO CA C 27 62.102 61.682 0.420 1
1 274 . 1 1 1 A 27 27 PRO HA H 27 4.833 4.717 0.116 1
1 275 . 1 1 1 A 27 27 PRO CB C 27 30.960 31.807 -0.847 1
1 284 . 1 1 1 A 28 28 PRO CA C 28 64.218 62.598 1.620 1
1 285 . 1 1 1 A 28 28 PRO HA H 28 4.127 4.512 -0.385 1
1 286 . 1 1 1 A 28 28 PRO CB C 28 31.726 33.086 -1.360 1
1 295 . 1 1 1 A 28 28 PRO C C 28 175.552 175.995 -0.443 1
1 296 . 1 1 1 A 29 29 GLU N N 29 120.378 117.981 2.397 1
1 297 . 1 1 1 A 29 29 GLU H H 29 8.473 8.366 0.107 1
1 298 . 1 1 1 A 29 29 GLU CA C 29 54.425 55.278 -0.853 1
1 299 . 1 1 1 A 29 29 GLU HA H 29 4.734 4.724 0.010 1
1 300 . 1 1 1 A 29 29 GLU CB C 29 33.430 31.007 2.423 1
1 306 . 1 1 1 A 29 29 GLU C C 29 175.244 176.447 -1.203 1
1 307 . 1 1 1 A 30 30 GLU N N 30 120.351 118.182 2.169 1
1 308 . 1 1 1 A 30 30 GLU H H 30 8.502 8.977 -0.475 1
1 309 . 1 1 1 A 30 30 GLU CA C 30 60.066 59.321 0.745 1
1 310 . 1 1 1 A 30 30 GLU HA H 30 3.898 4.112 -0.214 1
1 311 . 1 1 1 A 30 30 GLU CB C 30 30.038 28.926 1.112 1
1 317 . 1 1 1 A 30 30 GLU C C 30 177.211 176.822 0.389 1
1 318 . 1 1 1 A 31 31 VAL N N 31 119.224 118.825 0.399 1
1 319 . 1 1 1 A 31 31 VAL H H 31 8.363 8.063 0.300 1
1 320 . 1 1 1 A 31 31 VAL CA C 31 61.327 62.111 -0.784 1
1 321 . 1 1 1 A 31 31 VAL HA H 31 4.154 4.181 -0.027 1
1 322 . 1 1 1 A 31 31 VAL CB C 31 30.937 32.237 -1.300 1
1 332 . 1 1 1 A 31 31 VAL C C 31 176.298 175.936 0.362 1
1 333 . 1 1 1 A 32 32 GLU N N 32 128.219 129.975 -1.756 1
1 334 . 1 1 1 A 32 32 GLU H H 32 8.453 8.794 -0.341 1
1 335 . 1 1 1 A 32 32 GLU CA C 32 59.610 58.846 0.764 1
1 336 . 1 1 1 A 32 32 GLU HA H 32 3.729 3.643 0.086 1
1 337 . 1 1 1 A 32 32 GLU CB C 32 29.649 29.180 0.469 1
1 342 . 1 1 1 A 32 32 GLU C C 32 177.405 177.776 -0.371 1
1 343 . 1 1 1 A 33 33 SER N N 33 111.772 117.897 -6.125 1
1 344 . 1 1 1 A 33 33 SER H H 33 8.368 8.069 0.299 1
1 345 . 1 1 1 A 33 33 SER CA C 33 61.378 61.873 -0.495 1
1 346 . 1 1 1 A 33 33 SER HA H 33 4.087 4.210 -0.123 1
1 347 . 1 1 1 A 33 33 SER CB C 33 61.842 62.831 -0.989 1
1 350 . 1 1 1 A 33 33 SER C C 33 177.086 176.443 0.643 1
1 351 . 1 1 1 A 34 34 ARG N N 34 121.109 119.894 1.215 1
1 352 . 1 1 1 A 34 34 ARG H H 34 7.445 8.003 -0.558 1
1 353 . 1 1 1 A 34 34 ARG CA C 34 58.682 58.957 -0.275 1
1 354 . 1 1 1 A 34 34 ARG HA H 34 4.067 4.014 0.053 1
1 355 . 1 1 1 A 34 34 ARG CB C 34 30.095 30.162 -0.067 1
1 364 . 1 1 1 A 34 34 ARG C C 34 178.697 178.433 0.264 1
1 365 . 1 1 1 A 35 35 ARG N N 35 122.297 119.009 3.288 1
1 366 . 1 1 1 A 35 35 ARG H H 35 6.826 7.577 -0.751 1
1 367 . 1 1 1 A 35 35 ARG CA C 35 59.479 58.860 0.619 1
1 368 . 1 1 1 A 35 35 ARG HA H 35 3.718 3.809 -0.091 1
1 369 . 1 1 1 A 35 35 ARG CB C 35 30.578 29.513 1.065 1
1 380 . 1 1 1 A 35 35 ARG C C 35 178.318 178.962 -0.644 1
1 381 . 1 1 1 A 36 36 TRP N N 36 115.557 120.176 -4.619 1
1 382 . 1 1 1 A 36 36 TRP H H 36 7.702 7.158 0.544 1
1 383 . 1 1 1 A 36 36 TRP CA C 36 58.127 60.031 -1.904 1
1 384 . 1 1 1 A 36 36 TRP HA H 36 4.929 4.359 0.570 1
1 385 . 1 1 1 A 36 36 TRP CB C 36 30.618 29.346 1.272 1
1 400 . 1 1 1 A 36 36 TRP C C 36 178.742 178.730 0.012 1
1 401 . 1 1 1 A 37 37 GLN N N 37 117.116 119.655 -2.539 1
1 402 . 1 1 1 A 37 37 GLN H H 37 7.923 7.934 -0.011 1
1 403 . 1 1 1 A 37 37 GLN CA C 37 58.501 58.939 -0.438 1
1 404 . 1 1 1 A 37 37 GLN HA H 37 3.950 3.982 -0.032 1
1 405 . 1 1 1 A 37 37 GLN CB C 37 28.719 28.194 0.525 1
1 414 . 1 1 1 A 37 37 GLN C C 37 177.079 178.276 -1.197 1
1 415 . 1 1 1 A 38 38 LYS N N 38 119.256 118.337 0.919 1
1 416 . 1 1 1 A 38 38 LYS H H 38 7.543 7.282 0.261 1
1 417 . 1 1 1 A 38 38 LYS CA C 38 59.855 59.208 0.647 1
1 418 . 1 1 1 A 38 38 LYS HA H 38 3.875 3.970 -0.095 1
1 419 . 1 1 1 A 38 38 LYS CB C 38 31.717 32.052 -0.335 1
1 431 . 1 1 1 A 38 38 LYS C C 38 179.773 179.026 0.747 1
1 432 . 1 1 1 A 39 39 ILE N N 39 117.818 120.256 -2.438 1
1 433 . 1 1 1 A 39 39 ILE H H 39 7.614 7.478 0.136 1
1 434 . 1 1 1 A 39 39 ILE CA C 39 66.296 65.527 0.769 1
1 435 . 1 1 1 A 39 39 ILE HA H 39 3.534 3.348 0.186 1
1 436 . 1 1 1 A 39 39 ILE CB C 39 38.526 37.483 1.043 1
1 449 . 1 1 1 A 39 39 ILE C C 39 177.376 177.842 -0.466 1
1 450 . 1 1 1 A 40 40 ALA N N 40 122.394 122.225 0.169 1
1 451 . 1 1 1 A 40 40 ALA H H 40 8.680 8.604 0.076 1
1 452 . 1 1 1 A 40 40 ALA CA C 40 56.117 55.885 0.232 1
1 453 . 1 1 1 A 40 40 ALA HA H 40 3.732 3.988 -0.256 1
1 454 . 1 1 1 A 40 40 ALA CB C 40 17.581 18.379 -0.798 1
1 458 . 1 1 1 A 40 40 ALA C C 40 180.101 178.689 1.412 1
1 459 . 1 1 1 A 41 41 ASP N N 41 117.487 118.219 -0.732 1
1 460 . 1 1 1 A 41 41 ASP H H 41 8.516 8.312 0.204 1
1 461 . 1 1 1 A 41 41 ASP CA C 41 57.069 57.676 -0.607 1
1 462 . 1 1 1 A 41 41 ASP HA H 41 4.425 4.325 0.100 1
1 463 . 1 1 1 A 41 41 ASP CB C 41 40.176 41.833 -1.657 1
1 466 . 1 1 1 A 41 41 ASP C C 41 178.731 178.689 0.042 1
1 467 . 1 1 1 A 42 42 GLU N N 42 118.631 118.916 -0.285 1
1 468 . 1 1 1 A 42 42 GLU H H 42 7.391 7.859 -0.468 1
1 469 . 1 1 1 A 42 42 GLU CA C 42 59.678 59.149 0.529 1
1 470 . 1 1 1 A 42 42 GLU HA H 42 4.246 4.119 0.127 1
1 471 . 1 1 1 A 42 42 GLU CB C 42 29.612 29.634 -0.022 1
1 477 . 1 1 1 A 42 42 GLU C C 42 178.559 179.418 -0.859 1
1 478 . 1 1 1 A 43 43 LEU N N 43 120.834 119.409 1.425 1
1 479 . 1 1 1 A 43 43 LEU H H 43 8.247 7.616 0.631 1
1 480 . 1 1 1 A 43 43 LEU CA C 43 57.274 56.776 0.498 1
1 481 . 1 1 1 A 43 43 LEU HA H 43 4.171 4.018 0.153 1
1 482 . 1 1 1 A 43 43 LEU CB C 43 42.237 42.518 -0.281 1
1 495 . 1 1 1 A 43 43 LEU C C 43 179.282 177.119 2.163 1
1 496 . 1 1 1 A 44 44 GLY N N 44 106.089 107.380 -1.291 1
1 497 . 1 1 1 A 44 44 GLY H H 44 8.218 7.916 0.302 1
1 498 . 1 1 1 A 44 44 GLY CA C 44 46.203 45.551 0.652 1
1 499 . 1 1 1 A 44 44 GLY HA2 H 44 3.738 3.991 -0.253 1
1 500 . 1 1 1 A 44 44 GLY HA3 H 44 4.181 3.994 0.187 1
1 501 . 1 1 1 A 44 44 GLY C C 44 174.363 174.647 -0.284 1
1 502 . 1 1 1 A 45 45 ASN N N 45 117.303 119.359 -2.056 1
1 503 . 1 1 1 A 45 45 ASN H H 45 8.060 8.029 0.031 1
1 504 . 1 1 1 A 45 45 ASN CA C 45 52.872 55.404 -2.532 1
1 505 . 1 1 1 A 45 45 ASN HA H 45 4.637 4.515 0.122 1
1 506 . 1 1 1 A 45 45 ASN CB C 45 38.017 39.178 -1.161 1
1 512 . 1 1 1 A 45 45 ASN C C 45 174.403 175.485 -1.082 1
1 513 . 1 1 1 A 46 46 ARG N N 46 115.501 118.601 -3.100 1
1 514 . 1 1 1 A 46 46 ARG H H 46 7.091 7.748 -0.657 1
1 515 . 1 1 1 A 46 46 ARG CA C 46 52.521 55.723 -3.202 1
1 516 . 1 1 1 A 46 46 ARG HA H 46 4.948 4.389 0.559 1
1 517 . 1 1 1 A 46 46 ARG CB C 46 35.298 31.524 3.774 1
1 528 . 1 1 1 A 46 46 ARG C C 46 175.373 175.959 -0.586 1
1 529 . 1 1 1 A 47 47 THR N N 47 110.043 112.060 -2.017 1
1 530 . 1 1 1 A 47 47 THR H H 47 8.411 8.444 -0.033 1
1 531 . 1 1 1 A 47 47 THR CA C 47 59.643 59.291 0.352 1
1 532 . 1 1 1 A 47 47 THR HA H 47 4.602 4.972 -0.370 1
1 533 . 1 1 1 A 47 47 THR CB C 47 71.307 72.064 -0.757 1
1 539 . 1 1 1 A 47 47 THR C C 47 175.891 175.584 0.307 1
1 540 . 1 1 1 A 48 48 ALA N N 48 123.448 125.214 -1.766 1
1 541 . 1 1 1 A 48 48 ALA H H 48 9.205 9.098 0.107 1
1 542 . 1 1 1 A 48 48 ALA CA C 48 55.820 55.838 -0.018 1
1 543 . 1 1 1 A 48 48 ALA HA H 48 3.869 4.085 -0.216 1
1 544 . 1 1 1 A 48 48 ALA CB C 48 17.997 18.511 -0.514 1
1 548 . 1 1 1 A 48 48 ALA C C 48 179.731 179.665 0.066 1
1 549 . 1 1 1 A 49 49 LYS N N 49 117.235 117.595 -0.360 1
1 550 . 1 1 1 A 49 49 LYS H H 49 8.127 8.239 -0.112 1
1 551 . 1 1 1 A 49 49 LYS CA C 49 59.436 59.661 -0.225 1
1 552 . 1 1 1 A 49 49 LYS HA H 49 4.008 3.873 0.135 1
1 553 . 1 1 1 A 49 49 LYS CB C 49 32.661 32.251 0.410 1
1 565 . 1 1 1 A 49 49 LYS C C 49 179.567 179.221 0.346 1
1 566 . 1 1 1 A 50 50 GLN N N 50 119.324 118.970 0.354 1
1 567 . 1 1 1 A 50 50 GLN H H 50 7.753 7.847 -0.094 1
1 568 . 1 1 1 A 50 50 GLN CA C 50 58.938 59.123 -0.185 1
1 569 . 1 1 1 A 50 50 GLN HA H 50 4.191 4.015 0.176 1
1 570 . 1 1 1 A 50 50 GLN CB C 50 29.389 28.476 0.913 1
1 579 . 1 1 1 A 50 50 GLN C C 50 180.097 178.436 1.661 1
1 580 . 1 1 1 A 51 51 VAL N N 51 120.881 120.335 0.546 1
1 581 . 1 1 1 A 51 51 VAL H H 51 8.397 8.309 0.088 1
1 582 . 1 1 1 A 51 51 VAL CA C 51 67.510 66.144 1.366 1
1 583 . 1 1 1 A 51 51 VAL HA H 51 3.491 3.643 -0.152 1
1 584 . 1 1 1 A 51 51 VAL CB C 51 31.871 31.519 0.352 1
1 594 . 1 1 1 A 51 51 VAL C C 51 176.150 177.522 -1.372 1
1 595 . 1 1 1 A 52 52 ALA N N 52 120.695 121.499 -0.804 1
1 596 . 1 1 1 A 52 52 ALA H H 52 8.057 8.533 -0.476 1
1 597 . 1 1 1 A 52 52 ALA CA C 52 55.307 54.886 0.421 1
1 598 . 1 1 1 A 52 52 ALA HA H 52 2.379 2.578 -0.199 1
1 599 . 1 1 1 A 52 52 ALA CB C 52 17.410 18.065 -0.655 1
1 603 . 1 1 1 A 52 52 ALA C C 52 180.088 179.352 0.736 1
1 604 . 1 1 1 A 53 53 SER N N 53 110.953 113.467 -2.514 1
1 605 . 1 1 1 A 53 53 SER H H 53 7.653 7.940 -0.287 1
1 606 . 1 1 1 A 53 53 SER CA C 53 61.291 61.434 -0.143 1
1 607 . 1 1 1 A 53 53 SER HA H 53 4.049 4.029 0.020 1
1 608 . 1 1 1 A 53 53 SER CB C 53 63.032 62.835 0.197 1
1 610 . 1 1 1 A 53 53 SER C C 53 180.076 175.897 4.179 1
1 611 . 1 1 1 A 54 54 GLN N N 54 123.306 121.021 2.285 1
1 612 . 1 1 1 A 54 54 GLN H H 54 7.615 7.590 0.025 1
1 613 . 1 1 1 A 54 54 GLN CA C 54 57.843 58.213 -0.370 1
1 614 . 1 1 1 A 54 54 GLN HA H 54 3.844 3.612 0.232 1
1 615 . 1 1 1 A 54 54 GLN CB C 54 27.422 27.737 -0.315 1
1 624 . 1 1 1 A 55 55 VAL N N 55 119.150 119.346 -0.196 1
1 625 . 1 1 1 A 55 55 VAL H H 55 8.266 7.661 0.605 1
1 626 . 1 1 1 A 55 55 VAL CA C 55 66.491 66.380 0.111 1
1 627 . 1 1 1 A 55 55 VAL HA H 55 3.417 3.445 -0.028 1
1 628 . 1 1 1 A 55 55 VAL CB C 55 31.306 31.046 0.260 1
1 638 . 1 1 1 A 55 55 VAL C C 55 177.640 177.793 -0.153 1
1 639 . 1 1 1 A 56 56 GLN N N 56 116.992 118.907 -1.915 1
1 640 . 1 1 1 A 56 56 GLN H H 56 7.578 7.630 -0.052 1
1 641 . 1 1 1 A 56 56 GLN CA C 56 58.616 59.270 -0.654 1
1 642 . 1 1 1 A 56 56 GLN HA H 56 3.964 3.932 0.032 1
1 643 . 1 1 1 A 56 56 GLN CB C 56 28.115 28.167 -0.052 1
1 652 . 1 1 1 A 56 56 GLN C C 56 177.976 178.284 -0.308 1
1 653 . 1 1 1 A 57 57 LYS N N 57 117.073 117.246 -0.173 1
1 654 . 1 1 1 A 57 57 LYS H H 57 7.378 7.916 -0.538 1
1 655 . 1 1 1 A 57 57 LYS CA C 57 58.958 57.282 1.676 1
1 656 . 1 1 1 A 57 57 LYS HA H 57 3.897 4.288 -0.391 1
1 657 . 1 1 1 A 57 57 LYS CB C 57 32.837 32.220 0.617 1
1 669 . 1 1 1 A 57 57 LYS C C 57 178.237 177.007 1.230 1
1 670 . 1 1 1 A 58 58 TYR N N 58 117.398 118.356 -0.958 1
1 671 . 1 1 1 A 58 58 TYR H H 58 7.722 8.107 -0.385 1
1 672 . 1 1 1 A 58 58 TYR CA C 58 59.231 59.221 0.010 1
1 673 . 1 1 1 A 58 58 TYR HA H 58 4.422 4.598 -0.176 1
1 674 . 1 1 1 A 58 58 TYR CB C 58 38.850 40.092 -1.242 1
1 685 . 1 1 1 A 58 58 TYR C C 58 176.329 176.712 -0.383 1
1 686 . 1 1 1 A 59 59 PHE N N 59 118.720 116.126 2.594 1
1 687 . 1 1 1 A 59 59 PHE H H 59 8.197 8.248 -0.051 1
1 688 . 1 1 1 A 59 59 PHE CA C 59 59.396 59.199 0.197 1
1 689 . 1 1 1 A 59 59 PHE HA H 59 4.487 4.581 -0.094 1
1 690 . 1 1 1 A 59 59 PHE CB C 59 39.309 40.321 -1.012 1
1 703 . 1 1 1 A 59 59 PHE C C 59 177.355 177.462 -0.107 1
1 704 . 1 1 1 A 60 60 ILE N N 60 120.989 119.308 1.681 1
1 705 . 1 1 1 A 60 60 ILE H H 60 7.940 7.995 -0.055 1
1 706 . 1 1 1 A 60 60 ILE CA C 60 63.239 64.646 -1.407 1
1 707 . 1 1 1 A 60 60 ILE HA H 60 3.937 3.815 0.122 1
1 708 . 1 1 1 A 60 60 ILE CB C 60 38.017 37.138 0.879 1
1 721 . 1 1 1 A 60 60 ILE C C 60 177.197 177.310 -0.113 1
1 722 . 1 1 1 A 61 61 LYS N N 61 122.558 121.150 1.408 1
1 723 . 1 1 1 A 61 61 LYS H H 61 8.056 7.891 0.165 1
1 724 . 1 1 1 A 61 61 LYS CA C 61 57.840 55.438 2.402 1
1 725 . 1 1 1 A 61 61 LYS HA H 61 4.158 4.343 -0.185 1
1 726 . 1 1 1 A 61 61 LYS CB C 61 32.480 31.229 1.251 1
1 738 . 1 1 1 A 61 61 LYS C C 61 177.737 177.426 0.311 1
1 739 . 1 1 1 A 62 62 LEU N N 62 120.763 121.572 -0.809 1
1 740 . 1 1 1 A 62 62 LEU H H 62 8.145 7.695 0.450 1
1 741 . 1 1 1 A 62 62 LEU CA C 62 55.989 55.597 0.392 1
1 742 . 1 1 1 A 62 62 LEU HA H 62 4.302 4.392 -0.090 1
1 743 . 1 1 1 A 62 62 LEU CB C 62 42.379 44.485 -2.106 1
1 756 . 1 1 1 A 62 62 LEU C C 62 178.178 177.263 0.915 1
1 757 . 1 1 1 A 63 63 THR N N 63 113.377 113.612 -0.235 1
1 758 . 1 1 1 A 63 63 THR H H 63 8.043 7.726 0.317 1
1 759 . 1 1 1 A 63 63 THR CA C 63 63.007 60.607 2.400 1
1 760 . 1 1 1 A 63 63 THR HA H 63 4.285 4.288 -0.003 1
1 761 . 1 1 1 A 63 63 THR CB C 63 70.153 67.117 3.036 1
1 767 . 1 1 1 A 63 63 THR C C 63 175.775 174.616 1.159 1
1 768 . 1 1 1 A 64 64 LYS N N 64 122.961 127.742 -4.781 1
1 769 . 1 1 1 A 64 64 LYS H H 64 8.333 9.108 -0.775 1
1 770 . 1 1 1 A 64 64 LYS CA C 64 57.298 57.112 0.186 1
1 771 . 1 1 1 A 64 64 LYS HA H 64 4.218 3.921 0.297 1
1 772 . 1 1 1 A 64 64 LYS CB C 64 32.578 31.332 1.246 1
1 784 . 1 1 1 A 64 64 LYS C C 64 176.684 175.501 1.183 1
1 785 . 1 1 1 A 65 65 ALA N N 65 123.107 116.157 6.950 1
1 786 . 1 1 1 A 65 65 ALA H H 65 8.024 8.267 -0.243 1
1 787 . 1 1 1 A 65 65 ALA CA C 65 52.597 53.307 -0.710 1
1 788 . 1 1 1 A 65 65 ALA HA H 65 4.323 4.106 0.217 1
1 789 . 1 1 1 A 65 65 ALA CB C 65 19.229 17.354 1.875 1
1 793 . 1 1 1 A 65 65 ALA C C 65 178.017 177.640 0.377 1
1 794 . 1 1 1 A 66 66 GLY N N 66 107.464 104.129 3.335 1
1 795 . 1 1 1 A 66 66 GLY H H 66 8.165 8.726 -0.561 1
1 796 . 1 1 1 A 66 66 GLY CA C 66 45.223 45.811 -0.588 1
1 797 . 1 1 1 A 66 66 GLY HA2 H 66 3.955 3.977 -0.022 1
1 798 . 1 1 1 A 66 66 GLY HA3 H 66 3.888 3.978 -0.090 1
1 799 . 1 1 1 A 66 66 GLY C C 66 173.809 174.337 -0.528 1
1 800 . 1 1 1 A 67 67 ILE N N 67 121.784 121.104 0.680 1
1 801 . 1 1 1 A 67 67 ILE H H 67 7.825 7.554 0.271 1
1 802 . 1 1 1 A 67 67 ILE CA C 67 58.397 59.017 -0.620 1
1 803 . 1 1 1 A 67 67 ILE HA H 67 4.457 4.248 0.209 1
1 804 . 1 1 1 A 67 67 ILE CB C 67 38.622 37.963 0.659 1
1 817 . 1 1 1 A 67 67 ILE C C 67 174.638 174.281 0.357 1
1 818 . 1 1 1 A 68 68 PRO CA C 68 63.157 62.664 0.493 1
1 819 . 1 1 1 A 68 68 PRO HA H 68 4.499 4.661 -0.162 1
1 820 . 1 1 1 A 68 68 PRO CB C 68 31.946 31.991 -0.045 1
1 829 . 1 1 1 A 68 68 PRO C C 68 176.866 177.103 -0.237 1
1 830 . 1 1 1 A 69 69 VAL N N 69 120.953 123.525 -2.572 1
1 831 . 1 1 1 A 69 69 VAL H H 69 8.269 8.760 -0.491 1
1 832 . 1 1 1 A 69 69 VAL CA C 69 62.460 63.382 -0.922 1
1 833 . 1 1 1 A 69 69 VAL HA H 69 4.112 4.202 -0.090 1
1 834 . 1 1 1 A 69 69 VAL CB C 69 32.882 33.410 -0.528 1
1 844 . 1 1 1 A 69 69 VAL C C 69 176.217 175.322 0.895 1
1 845 . 1 1 1 A 70 70 SER N N 70 118.672 115.016 3.656 1
1 846 . 1 1 1 A 70 70 SER H H 70 8.321 7.744 0.577 1
1 847 . 1 1 1 A 70 70 SER CA C 70 58.127 56.858 1.269 1
1 848 . 1 1 1 A 70 70 SER HA H 70 4.536 4.782 -0.246 1
1 849 . 1 1 1 A 70 70 SER CB C 70 64.051 65.763 -1.712 1
1 852 . 1 1 1 A 70 70 SER C C 70 174.419 173.557 0.862 1
1 853 . 1 1 1 A 72 72 PRO CA C 72 63.221 62.740 0.481 1
1 854 . 1 1 1 A 72 72 PRO HA H 72 4.480 4.697 -0.217 1
1 855 . 1 1 1 A 72 72 PRO CB C 72 32.287 30.949 1.338 1
1 864 . 1 1 1 A 73 73 SER N N 73 116.355 119.234 -2.879 1
1 865 . 1 1 1 A 73 73 SER H H 73 8.521 8.756 -0.235 1
1 866 . 1 1 1 A 73 73 SER CA C 73 58.407 56.611 1.796 1
1 867 . 1 1 1 A 73 73 SER HA H 73 4.580 4.954 -0.374 1
1 868 . 1 1 1 A 73 73 SER CB C 73 63.942 65.454 -1.512 1
1 1 . 2 1 1 A 9 9 GLN CA C 9 56.082 56.197 -0.115 1
1 2 . 2 1 1 A 9 9 GLN HA H 9 4.326 4.180 0.146 1
1 3 . 2 1 1 A 9 9 GLN CB C 9 29.035 28.876 0.159 1
1 9 . 2 1 1 A 9 9 GLN C C 9 176.519 175.928 0.591 1
1 10 . 2 1 1 A 10 10 LEU N N 10 124.239 123.032 1.207 1
1 11 . 2 1 1 A 10 10 LEU H H 10 8.287 8.543 -0.256 1
1 12 . 2 1 1 A 10 10 LEU CA C 10 55.553 53.414 2.139 1
1 13 . 2 1 1 A 10 10 LEU HA H 10 4.390 5.010 -0.620 1
1 14 . 2 1 1 A 10 10 LEU CB C 10 42.168 44.059 -1.891 1
1 27 . 2 1 1 A 10 10 LEU C C 10 177.357 176.913 0.444 1
1 28 . 2 1 1 A 11 11 TRP N N 11 124.940 121.336 3.604 1
1 29 . 2 1 1 A 11 11 TRP H H 11 8.879 8.664 0.215 1
1 30 . 2 1 1 A 11 11 TRP CA C 11 56.849 58.748 -1.899 1
1 31 . 2 1 1 A 11 11 TRP HA H 11 4.668 4.613 0.055 1
1 32 . 2 1 1 A 11 11 TRP CB C 11 28.603 30.150 -1.547 1
1 47 . 2 1 1 A 11 11 TRP C C 11 177.416 176.753 0.663 1
1 48 . 2 1 1 A 12 12 THR N N 12 115.857 117.419 -1.562 1
1 49 . 2 1 1 A 12 12 THR H H 12 8.760 8.579 0.181 1
1 50 . 2 1 1 A 12 12 THR CA C 12 60.885 61.726 -0.841 1
1 51 . 2 1 1 A 12 12 THR HA H 12 4.509 4.593 -0.084 1
1 52 . 2 1 1 A 12 12 THR CB C 12 71.142 69.774 1.368 1
1 58 . 2 1 1 A 12 12 THR C C 12 175.828 175.257 0.571 1
1 59 . 2 1 1 A 13 13 VAL N N 13 121.033 126.797 -5.764 1
1 60 . 2 1 1 A 13 13 VAL H H 13 8.782 8.847 -0.065 1
1 61 . 2 1 1 A 13 13 VAL CA C 13 66.558 65.377 1.181 1
1 62 . 2 1 1 A 13 13 VAL HA H 13 3.784 3.956 -0.172 1
1 63 . 2 1 1 A 13 13 VAL CB C 13 31.659 31.734 -0.075 1
1 73 . 2 1 1 A 13 13 VAL C C 13 178.595 177.855 0.740 1
1 74 . 2 1 1 A 14 14 GLU N N 14 119.290 122.635 -3.345 1
1 75 . 2 1 1 A 14 14 GLU H H 14 8.586 8.409 0.177 1
1 76 . 2 1 1 A 14 14 GLU CA C 14 60.285 59.742 0.543 1
1 77 . 2 1 1 A 14 14 GLU HA H 14 4.024 4.017 0.007 1
1 78 . 2 1 1 A 14 14 GLU CB C 14 29.039 29.322 -0.283 1
1 84 . 2 1 1 A 14 14 GLU C C 14 179.736 179.511 0.225 1
1 85 . 2 1 1 A 15 15 GLU N N 15 121.533 120.349 1.184 1
1 86 . 2 1 1 A 15 15 GLU H H 15 7.934 7.934 0.000 1
1 87 . 2 1 1 A 15 15 GLU CA C 15 59.834 59.310 0.524 1
1 88 . 2 1 1 A 15 15 GLU HA H 15 3.990 4.186 -0.196 1
1 89 . 2 1 1 A 15 15 GLU CB C 15 31.315 30.091 1.224 1
1 95 . 2 1 1 A 15 15 GLU C C 15 178.886 179.342 -0.456 1
1 96 . 2 1 1 A 16 16 GLN N N 16 119.475 119.119 0.356 1
1 97 . 2 1 1 A 16 16 GLN H H 16 8.595 8.735 -0.140 1
1 98 . 2 1 1 A 16 16 GLN CA C 16 59.369 59.459 -0.090 1
1 99 . 2 1 1 A 16 16 GLN HA H 16 4.104 4.161 -0.057 1
1 100 . 2 1 1 A 16 16 GLN CB C 16 28.376 28.141 0.235 1
1 109 . 2 1 1 A 16 16 GLN C C 16 178.548 178.857 -0.309 1
1 110 . 2 1 1 A 17 17 LYS N N 17 119.404 118.811 0.593 1
1 111 . 2 1 1 A 17 17 LYS H H 17 8.241 7.958 0.283 1
1 112 . 2 1 1 A 17 17 LYS CA C 17 59.175 59.252 -0.077 1
1 113 . 2 1 1 A 17 17 LYS HA H 17 4.103 4.132 -0.029 1
1 114 . 2 1 1 A 17 17 LYS CB C 17 31.980 32.414 -0.434 1
1 126 . 2 1 1 A 17 17 LYS C C 17 179.663 178.917 0.746 1
1 127 . 2 1 1 A 18 18 LYS N N 18 120.546 119.641 0.905 1
1 128 . 2 1 1 A 18 18 LYS H H 18 7.852 7.774 0.078 1
1 129 . 2 1 1 A 18 18 LYS CA C 18 59.432 59.586 -0.154 1
1 130 . 2 1 1 A 18 18 LYS HA H 18 4.157 4.094 0.063 1
1 131 . 2 1 1 A 18 18 LYS CB C 18 32.166 32.488 -0.322 1
1 143 . 2 1 1 A 18 18 LYS C C 18 179.003 178.306 0.697 1
1 144 . 2 1 1 A 19 19 LEU N N 19 120.782 120.206 0.576 1
1 145 . 2 1 1 A 19 19 LEU H H 19 8.639 8.784 -0.145 1
1 146 . 2 1 1 A 19 19 LEU CA C 19 58.729 58.668 0.061 1
1 147 . 2 1 1 A 19 19 LEU HA H 19 4.042 4.098 -0.056 1
1 148 . 2 1 1 A 19 19 LEU CB C 19 41.465 42.120 -0.655 1
1 161 . 2 1 1 A 19 19 LEU C C 19 177.410 178.204 -0.794 1
1 162 . 2 1 1 A 20 20 GLU N N 20 116.982 117.965 -0.983 1
1 163 . 2 1 1 A 20 20 GLU H H 20 7.981 8.074 -0.093 1
1 164 . 2 1 1 A 20 20 GLU CA C 20 60.285 59.921 0.364 1
1 165 . 2 1 1 A 20 20 GLU HA H 20 3.647 4.107 -0.460 1
1 166 . 2 1 1 A 20 20 GLU CB C 20 29.612 29.232 0.380 1
1 172 . 2 1 1 A 20 20 GLU C C 20 179.066 179.476 -0.410 1
1 173 . 2 1 1 A 21 21 GLN N N 21 115.877 118.893 -3.016 1
1 174 . 2 1 1 A 21 21 GLN H H 21 7.518 8.059 -0.541 1
1 175 . 2 1 1 A 21 21 GLN CA C 21 58.409 58.809 -0.400 1
1 176 . 2 1 1 A 21 21 GLN HA H 21 4.112 4.087 0.025 1
1 177 . 2 1 1 A 21 21 GLN CB C 21 28.405 28.135 0.270 1
1 186 . 2 1 1 A 21 21 GLN C C 21 180.271 178.954 1.317 1
1 187 . 2 1 1 A 22 22 LEU N N 22 123.461 121.012 2.449 1
1 188 . 2 1 1 A 22 22 LEU H H 22 8.775 8.168 0.607 1
1 189 . 2 1 1 A 22 22 LEU CA C 22 57.782 58.074 -0.292 1
1 190 . 2 1 1 A 22 22 LEU HA H 22 4.243 4.145 0.098 1
1 191 . 2 1 1 A 22 22 LEU CB C 22 42.687 42.162 0.525 1
1 204 . 2 1 1 A 22 22 LEU C C 22 178.112 179.006 -0.894 1
1 205 . 2 1 1 A 23 23 LEU N N 23 119.576 118.057 1.519 1
1 206 . 2 1 1 A 23 23 LEU H H 23 8.260 8.693 -0.433 1
1 207 . 2 1 1 A 23 23 LEU CA C 23 57.281 58.377 -1.096 1
1 208 . 2 1 1 A 23 23 LEU HA H 23 4.174 4.077 0.097 1
1 209 . 2 1 1 A 23 23 LEU CB C 23 42.175 41.898 0.277 1
1 222 . 2 1 1 A 23 23 LEU C C 23 177.927 179.177 -1.250 1
1 223 . 2 1 1 A 24 24 ILE N N 24 116.614 118.721 -2.107 1
1 224 . 2 1 1 A 24 24 ILE H H 24 6.949 7.771 -0.822 1
1 225 . 2 1 1 A 24 24 ILE CA C 24 62.755 65.464 -2.709 1
1 226 . 2 1 1 A 24 24 ILE HA H 24 3.787 3.647 0.140 1
1 227 . 2 1 1 A 24 24 ILE CB C 24 38.208 37.550 0.658 1
1 240 . 2 1 1 A 24 24 ILE C C 24 177.066 177.897 -0.831 1
1 241 . 2 1 1 A 25 25 LYS N N 25 121.060 122.745 -1.685 1
1 242 . 2 1 1 A 25 25 LYS H H 25 7.421 8.123 -0.702 1
1 243 . 2 1 1 A 25 25 LYS CA C 25 59.281 59.330 -0.049 1
1 244 . 2 1 1 A 25 25 LYS HA H 25 3.726 4.048 -0.322 1
1 245 . 2 1 1 A 25 25 LYS CB C 25 34.011 32.215 1.796 1
1 257 . 2 1 1 A 25 25 LYS C C 25 175.900 175.952 -0.052 1
1 258 . 2 1 1 A 26 26 TYR N N 26 117.015 117.425 -0.410 1
1 259 . 2 1 1 A 26 26 TYR H H 26 8.124 8.382 -0.258 1
1 260 . 2 1 1 A 26 26 TYR CA C 26 54.995 56.431 -1.436 1
1 261 . 2 1 1 A 26 26 TYR HA H 26 4.988 4.756 0.232 1
1 262 . 2 1 1 A 26 26 TYR CB C 26 37.055 38.775 -1.720 1
1 273 . 2 1 1 A 27 27 PRO CA C 27 62.102 61.705 0.397 1
1 274 . 2 1 1 A 27 27 PRO HA H 27 4.833 4.713 0.120 1
1 275 . 2 1 1 A 27 27 PRO CB C 27 30.960 31.749 -0.789 1
1 284 . 2 1 1 A 28 28 PRO CA C 28 64.218 62.682 1.536 1
1 285 . 2 1 1 A 28 28 PRO HA H 28 4.127 4.610 -0.483 1
1 286 . 2 1 1 A 28 28 PRO CB C 28 31.726 33.132 -1.406 1
1 295 . 2 1 1 A 28 28 PRO C C 28 175.552 176.050 -0.498 1
1 296 . 2 1 1 A 29 29 GLU N N 29 120.378 117.677 2.701 1
1 297 . 2 1 1 A 29 29 GLU H H 29 8.473 8.342 0.131 1
1 298 . 2 1 1 A 29 29 GLU CA C 29 54.425 55.230 -0.805 1
1 299 . 2 1 1 A 29 29 GLU HA H 29 4.734 4.792 -0.058 1
1 300 . 2 1 1 A 29 29 GLU CB C 29 33.430 32.125 1.305 1
1 306 . 2 1 1 A 29 29 GLU C C 29 175.244 176.372 -1.128 1
1 307 . 2 1 1 A 30 30 GLU N N 30 120.351 120.460 -0.109 1
1 308 . 2 1 1 A 30 30 GLU H H 30 8.502 8.768 -0.266 1
1 309 . 2 1 1 A 30 30 GLU CA C 30 60.066 59.968 0.098 1
1 310 . 2 1 1 A 30 30 GLU HA H 30 3.898 3.926 -0.028 1
1 311 . 2 1 1 A 30 30 GLU CB C 30 30.038 29.517 0.521 1
1 317 . 2 1 1 A 30 30 GLU C C 30 177.211 176.390 0.821 1
1 318 . 2 1 1 A 31 31 VAL N N 31 119.224 117.792 1.432 1
1 319 . 2 1 1 A 31 31 VAL H H 31 8.363 7.813 0.550 1
1 320 . 2 1 1 A 31 31 VAL CA C 31 61.327 62.189 -0.862 1
1 321 . 2 1 1 A 31 31 VAL HA H 31 4.154 4.161 -0.007 1
1 322 . 2 1 1 A 31 31 VAL CB C 31 30.937 31.179 -0.242 1
1 332 . 2 1 1 A 31 31 VAL C C 31 176.298 176.234 0.064 1
1 333 . 2 1 1 A 32 32 GLU N N 32 128.219 127.143 1.076 1
1 334 . 2 1 1 A 32 32 GLU H H 32 8.453 8.641 -0.188 1
1 335 . 2 1 1 A 32 32 GLU CA C 32 59.610 58.618 0.992 1
1 336 . 2 1 1 A 32 32 GLU HA H 32 3.729 3.562 0.167 1
1 337 . 2 1 1 A 32 32 GLU CB C 32 29.649 28.964 0.685 1
1 342 . 2 1 1 A 32 32 GLU C C 32 177.405 178.269 -0.864 1
1 343 . 2 1 1 A 33 33 SER N N 33 111.772 115.566 -3.794 1
1 344 . 2 1 1 A 33 33 SER H H 33 8.368 8.197 0.171 1
1 345 . 2 1 1 A 33 33 SER CA C 33 61.378 61.144 0.234 1
1 346 . 2 1 1 A 33 33 SER HA H 33 4.087 4.341 -0.254 1
1 347 . 2 1 1 A 33 33 SER CB C 33 61.842 62.546 -0.704 1
1 350 . 2 1 1 A 33 33 SER C C 33 177.086 176.538 0.548 1
1 351 . 2 1 1 A 34 34 ARG N N 34 121.109 119.817 1.292 1
1 352 . 2 1 1 A 34 34 ARG H H 34 7.445 7.949 -0.504 1
1 353 . 2 1 1 A 34 34 ARG CA C 34 58.682 58.819 -0.137 1
1 354 . 2 1 1 A 34 34 ARG HA H 34 4.067 4.028 0.039 1
1 355 . 2 1 1 A 34 34 ARG CB C 34 30.095 29.749 0.346 1
1 364 . 2 1 1 A 34 34 ARG C C 34 178.697 178.422 0.275 1
1 365 . 2 1 1 A 35 35 ARG N N 35 122.297 119.052 3.245 1
1 366 . 2 1 1 A 35 35 ARG H H 35 6.826 7.335 -0.509 1
1 367 . 2 1 1 A 35 35 ARG CA C 35 59.479 58.714 0.765 1
1 368 . 2 1 1 A 35 35 ARG HA H 35 3.718 3.736 -0.018 1
1 369 . 2 1 1 A 35 35 ARG CB C 35 30.578 29.372 1.206 1
1 380 . 2 1 1 A 35 35 ARG C C 35 178.318 178.994 -0.676 1
1 381 . 2 1 1 A 36 36 TRP N N 36 115.557 120.188 -4.631 1
1 382 . 2 1 1 A 36 36 TRP H H 36 7.702 7.707 -0.005 1
1 383 . 2 1 1 A 36 36 TRP CA C 36 58.127 60.090 -1.963 1
1 384 . 2 1 1 A 36 36 TRP HA H 36 4.929 4.325 0.604 1
1 385 . 2 1 1 A 36 36 TRP CB C 36 30.618 29.066 1.552 1
1 400 . 2 1 1 A 36 36 TRP C C 36 178.742 178.720 0.022 1
1 401 . 2 1 1 A 37 37 GLN N N 37 117.116 119.078 -1.962 1
1 402 . 2 1 1 A 37 37 GLN H H 37 7.923 7.693 0.230 1
1 403 . 2 1 1 A 37 37 GLN CA C 37 58.501 59.228 -0.727 1
1 404 . 2 1 1 A 37 37 GLN HA H 37 3.950 4.045 -0.095 1
1 405 . 2 1 1 A 37 37 GLN CB C 37 28.719 28.202 0.517 1
1 414 . 2 1 1 A 37 37 GLN C C 37 177.079 178.639 -1.560 1
1 415 . 2 1 1 A 38 38 LYS N N 38 119.256 117.564 1.692 1
1 416 . 2 1 1 A 38 38 LYS H H 38 7.543 7.327 0.216 1
1 417 . 2 1 1 A 38 38 LYS CA C 38 59.855 59.019 0.836 1
1 418 . 2 1 1 A 38 38 LYS HA H 38 3.875 3.938 -0.063 1
1 419 . 2 1 1 A 38 38 LYS CB C 38 31.717 31.958 -0.241 1
1 431 . 2 1 1 A 38 38 LYS C C 38 179.773 178.978 0.795 1
1 432 . 2 1 1 A 39 39 ILE N N 39 117.818 120.887 -3.069 1
1 433 . 2 1 1 A 39 39 ILE H H 39 7.614 7.628 -0.014 1
1 434 . 2 1 1 A 39 39 ILE CA C 39 66.296 65.693 0.603 1
1 435 . 2 1 1 A 39 39 ILE HA H 39 3.534 3.484 0.050 1
1 436 . 2 1 1 A 39 39 ILE CB C 39 38.526 37.927 0.599 1
1 449 . 2 1 1 A 39 39 ILE C C 39 177.376 177.930 -0.554 1
1 450 . 2 1 1 A 40 40 ALA N N 40 122.394 122.538 -0.144 1
1 451 . 2 1 1 A 40 40 ALA H H 40 8.680 8.756 -0.076 1
1 452 . 2 1 1 A 40 40 ALA CA C 40 56.117 55.748 0.369 1
1 453 . 2 1 1 A 40 40 ALA HA H 40 3.732 4.033 -0.301 1
1 454 . 2 1 1 A 40 40 ALA CB C 40 17.581 18.447 -0.866 1
1 458 . 2 1 1 A 40 40 ALA C C 40 180.101 178.781 1.320 1
1 459 . 2 1 1 A 41 41 ASP N N 41 117.487 118.538 -1.051 1
1 460 . 2 1 1 A 41 41 ASP H H 41 8.516 8.339 0.177 1
1 461 . 2 1 1 A 41 41 ASP CA C 41 57.069 57.828 -0.759 1
1 462 . 2 1 1 A 41 41 ASP HA H 41 4.425 4.322 0.103 1
1 463 . 2 1 1 A 41 41 ASP CB C 41 40.176 40.812 -0.636 1
1 466 . 2 1 1 A 41 41 ASP C C 41 178.731 178.586 0.145 1
1 467 . 2 1 1 A 42 42 GLU N N 42 118.631 118.396 0.235 1
1 468 . 2 1 1 A 42 42 GLU H H 42 7.391 7.977 -0.586 1
1 469 . 2 1 1 A 42 42 GLU CA C 42 59.678 59.216 0.462 1
1 470 . 2 1 1 A 42 42 GLU HA H 42 4.246 4.060 0.186 1
1 471 . 2 1 1 A 42 42 GLU CB C 42 29.612 29.597 0.015 1
1 477 . 2 1 1 A 42 42 GLU C C 42 178.559 179.146 -0.587 1
1 478 . 2 1 1 A 43 43 LEU N N 43 120.834 120.166 0.668 1
1 479 . 2 1 1 A 43 43 LEU H H 43 8.247 7.511 0.736 1
1 480 . 2 1 1 A 43 43 LEU CA C 43 57.274 57.477 -0.203 1
1 481 . 2 1 1 A 43 43 LEU HA H 43 4.171 3.975 0.196 1
1 482 . 2 1 1 A 43 43 LEU CB C 43 42.237 42.353 -0.116 1
1 495 . 2 1 1 A 43 43 LEU C C 43 179.282 177.114 2.168 1
1 496 . 2 1 1 A 44 44 GLY N N 44 106.089 106.840 -0.751 1
1 497 . 2 1 1 A 44 44 GLY H H 44 8.218 8.044 0.174 1
1 498 . 2 1 1 A 44 44 GLY CA C 44 46.203 45.222 0.981 1
1 499 . 2 1 1 A 44 44 GLY HA2 H 44 3.738 3.968 -0.230 1
1 500 . 2 1 1 A 44 44 GLY HA3 H 44 4.181 3.968 0.213 1
1 501 . 2 1 1 A 44 44 GLY C C 44 174.363 175.853 -1.490 1
1 502 . 2 1 1 A 45 45 ASN N N 45 117.303 117.397 -0.094 1
1 503 . 2 1 1 A 45 45 ASN H H 45 8.060 8.029 0.031 1
1 504 . 2 1 1 A 45 45 ASN CA C 45 52.872 55.049 -2.177 1
1 505 . 2 1 1 A 45 45 ASN HA H 45 4.637 4.552 0.085 1
1 506 . 2 1 1 A 45 45 ASN CB C 45 38.017 38.533 -0.516 1
1 512 . 2 1 1 A 45 45 ASN C C 45 174.403 176.076 -1.673 1
1 513 . 2 1 1 A 46 46 ARG N N 46 115.501 116.883 -1.382 1
1 514 . 2 1 1 A 46 46 ARG H H 46 7.091 7.578 -0.487 1
1 515 . 2 1 1 A 46 46 ARG CA C 46 52.521 55.143 -2.622 1
1 516 . 2 1 1 A 46 46 ARG HA H 46 4.948 4.369 0.579 1
1 517 . 2 1 1 A 46 46 ARG CB C 46 35.298 30.646 4.652 1
1 528 . 2 1 1 A 46 46 ARG C C 46 175.373 175.609 -0.236 1
1 529 . 2 1 1 A 47 47 THR N N 47 110.043 111.506 -1.463 1
1 530 . 2 1 1 A 47 47 THR H H 47 8.411 8.459 -0.048 1
1 531 . 2 1 1 A 47 47 THR CA C 47 59.643 59.614 0.029 1
1 532 . 2 1 1 A 47 47 THR HA H 47 4.602 4.940 -0.338 1
1 533 . 2 1 1 A 47 47 THR CB C 47 71.307 72.011 -0.704 1
1 539 . 2 1 1 A 47 47 THR C C 47 175.891 175.859 0.032 1
1 540 . 2 1 1 A 48 48 ALA N N 48 123.448 124.873 -1.425 1
1 541 . 2 1 1 A 48 48 ALA H H 48 9.205 9.121 0.084 1
1 542 . 2 1 1 A 48 48 ALA CA C 48 55.820 55.799 0.021 1
1 543 . 2 1 1 A 48 48 ALA HA H 48 3.869 4.096 -0.227 1
1 544 . 2 1 1 A 48 48 ALA CB C 48 17.997 18.553 -0.556 1
1 548 . 2 1 1 A 48 48 ALA C C 48 179.731 179.732 -0.001 1
1 549 . 2 1 1 A 49 49 LYS N N 49 117.235 117.749 -0.514 1
1 550 . 2 1 1 A 49 49 LYS H H 49 8.127 8.273 -0.146 1
1 551 . 2 1 1 A 49 49 LYS CA C 49 59.436 59.575 -0.139 1
1 552 . 2 1 1 A 49 49 LYS HA H 49 4.008 3.907 0.101 1
1 553 . 2 1 1 A 49 49 LYS CB C 49 32.661 32.171 0.490 1
1 565 . 2 1 1 A 49 49 LYS C C 49 179.567 179.072 0.495 1
1 566 . 2 1 1 A 50 50 GLN N N 50 119.324 119.007 0.317 1
1 567 . 2 1 1 A 50 50 GLN H H 50 7.753 7.778 -0.025 1
1 568 . 2 1 1 A 50 50 GLN CA C 50 58.938 59.111 -0.173 1
1 569 . 2 1 1 A 50 50 GLN HA H 50 4.191 4.034 0.157 1
1 570 . 2 1 1 A 50 50 GLN CB C 50 29.389 28.311 1.078 1
1 579 . 2 1 1 A 50 50 GLN C C 50 180.097 178.590 1.507 1
1 580 . 2 1 1 A 51 51 VAL N N 51 120.881 121.040 -0.159 1
1 581 . 2 1 1 A 51 51 VAL H H 51 8.397 8.192 0.205 1
1 582 . 2 1 1 A 51 51 VAL CA C 51 67.510 66.266 1.244 1
1 583 . 2 1 1 A 51 51 VAL HA H 51 3.491 3.881 -0.390 1
1 584 . 2 1 1 A 51 51 VAL CB C 51 31.871 31.527 0.344 1
1 594 . 2 1 1 A 51 51 VAL C C 51 176.150 177.540 -1.390 1
1 595 . 2 1 1 A 52 52 ALA N N 52 120.695 121.790 -1.095 1
1 596 . 2 1 1 A 52 52 ALA H H 52 8.057 8.452 -0.395 1
1 597 . 2 1 1 A 52 52 ALA CA C 52 55.307 55.070 0.237 1
1 598 . 2 1 1 A 52 52 ALA HA H 52 2.379 2.806 -0.427 1
1 599 . 2 1 1 A 52 52 ALA CB C 52 17.410 18.327 -0.917 1
1 603 . 2 1 1 A 52 52 ALA C C 52 180.088 179.075 1.013 1
1 604 . 2 1 1 A 53 53 SER N N 53 110.953 113.170 -2.217 1
1 605 . 2 1 1 A 53 53 SER H H 53 7.653 7.709 -0.056 1
1 606 . 2 1 1 A 53 53 SER CA C 53 61.291 61.283 0.008 1
1 607 . 2 1 1 A 53 53 SER HA H 53 4.049 4.046 0.003 1
1 608 . 2 1 1 A 53 53 SER CB C 53 63.032 62.733 0.299 1
1 610 . 2 1 1 A 53 53 SER C C 53 180.076 175.964 4.112 1
1 611 . 2 1 1 A 54 54 GLN N N 54 123.306 121.273 2.033 1
1 612 . 2 1 1 A 54 54 GLN H H 54 7.615 7.542 0.073 1
1 613 . 2 1 1 A 54 54 GLN CA C 54 57.843 58.449 -0.606 1
1 614 . 2 1 1 A 54 54 GLN HA H 54 3.844 3.642 0.202 1
1 615 . 2 1 1 A 54 54 GLN CB C 54 27.422 27.994 -0.572 1
1 624 . 2 1 1 A 55 55 VAL N N 55 119.150 119.439 -0.289 1
1 625 . 2 1 1 A 55 55 VAL H H 55 8.266 7.738 0.528 1
1 626 . 2 1 1 A 55 55 VAL CA C 55 66.491 65.994 0.497 1
1 627 . 2 1 1 A 55 55 VAL HA H 55 3.417 3.421 -0.004 1
1 628 . 2 1 1 A 55 55 VAL CB C 55 31.306 31.561 -0.255 1
1 638 . 2 1 1 A 55 55 VAL C C 55 177.640 178.084 -0.444 1
1 639 . 2 1 1 A 56 56 GLN N N 56 116.992 119.177 -2.185 1
1 640 . 2 1 1 A 56 56 GLN H H 56 7.578 7.460 0.118 1
1 641 . 2 1 1 A 56 56 GLN CA C 56 58.616 58.798 -0.182 1
1 642 . 2 1 1 A 56 56 GLN HA H 56 3.964 4.007 -0.043 1
1 643 . 2 1 1 A 56 56 GLN CB C 56 28.115 28.536 -0.421 1
1 652 . 2 1 1 A 56 56 GLN C C 56 177.976 177.845 0.131 1
1 653 . 2 1 1 A 57 57 LYS N N 57 117.073 117.436 -0.363 1
1 654 . 2 1 1 A 57 57 LYS H H 57 7.378 8.030 -0.652 1
1 655 . 2 1 1 A 57 57 LYS CA C 57 58.958 57.000 1.958 1
1 656 . 2 1 1 A 57 57 LYS HA H 57 3.897 4.296 -0.399 1
1 657 . 2 1 1 A 57 57 LYS CB C 57 32.837 32.376 0.461 1
1 669 . 2 1 1 A 57 57 LYS C C 57 178.237 176.945 1.292 1
1 670 . 2 1 1 A 58 58 TYR N N 58 117.398 118.424 -1.026 1
1 671 . 2 1 1 A 58 58 TYR H H 58 7.722 7.832 -0.110 1
1 672 . 2 1 1 A 58 58 TYR CA C 58 59.231 59.224 0.007 1
1 673 . 2 1 1 A 58 58 TYR HA H 58 4.422 4.626 -0.204 1
1 674 . 2 1 1 A 58 58 TYR CB C 58 38.850 40.232 -1.382 1
1 685 . 2 1 1 A 58 58 TYR C C 58 176.329 176.544 -0.215 1
1 686 . 2 1 1 A 59 59 PHE N N 59 118.720 116.049 2.671 1
1 687 . 2 1 1 A 59 59 PHE H H 59 8.197 8.083 0.114 1
1 688 . 2 1 1 A 59 59 PHE CA C 59 59.396 59.095 0.301 1
1 689 . 2 1 1 A 59 59 PHE HA H 59 4.487 4.602 -0.115 1
1 690 . 2 1 1 A 59 59 PHE CB C 59 39.309 40.157 -0.848 1
1 703 . 2 1 1 A 59 59 PHE C C 59 177.355 177.344 0.011 1
1 704 . 2 1 1 A 60 60 ILE N N 60 120.989 119.958 1.031 1
1 705 . 2 1 1 A 60 60 ILE H H 60 7.940 8.063 -0.123 1
1 706 . 2 1 1 A 60 60 ILE CA C 60 63.239 64.737 -1.498 1
1 707 . 2 1 1 A 60 60 ILE HA H 60 3.937 3.689 0.248 1
1 708 . 2 1 1 A 60 60 ILE CB C 60 38.017 37.535 0.482 1
1 721 . 2 1 1 A 60 60 ILE C C 60 177.197 177.989 -0.792 1
1 722 . 2 1 1 A 61 61 LYS N N 61 122.558 120.634 1.924 1
1 723 . 2 1 1 A 61 61 LYS H H 61 8.056 7.806 0.250 1
1 724 . 2 1 1 A 61 61 LYS CA C 61 57.840 59.775 -1.935 1
1 725 . 2 1 1 A 61 61 LYS HA H 61 4.158 4.355 -0.197 1
1 726 . 2 1 1 A 61 61 LYS CB C 61 32.480 32.310 0.170 1
1 738 . 2 1 1 A 61 61 LYS C C 61 177.737 178.586 -0.849 1
1 739 . 2 1 1 A 62 62 LEU N N 62 120.763 119.619 1.144 1
1 740 . 2 1 1 A 62 62 LEU H H 62 8.145 8.007 0.138 1
1 741 . 2 1 1 A 62 62 LEU CA C 62 55.989 57.961 -1.972 1
1 742 . 2 1 1 A 62 62 LEU HA H 62 4.302 3.854 0.448 1
1 743 . 2 1 1 A 62 62 LEU CB C 62 42.379 41.772 0.607 1
1 756 . 2 1 1 A 62 62 LEU C C 62 178.178 178.896 -0.718 1
1 757 . 2 1 1 A 63 63 THR N N 63 113.377 113.888 -0.511 1
1 758 . 2 1 1 A 63 63 THR H H 63 8.043 8.164 -0.121 1
1 759 . 2 1 1 A 63 63 THR CA C 63 63.007 64.935 -1.928 1
1 760 . 2 1 1 A 63 63 THR HA H 63 4.285 4.082 0.203 1
1 761 . 2 1 1 A 63 63 THR CB C 63 70.153 69.513 0.640 1
1 767 . 2 1 1 A 63 63 THR C C 63 175.775 173.601 2.174 1
1 768 . 2 1 1 A 64 64 LYS N N 64 122.961 118.289 4.672 1
1 769 . 2 1 1 A 64 64 LYS H H 64 8.333 7.675 0.658 1
1 770 . 2 1 1 A 64 64 LYS CA C 64 57.298 55.293 2.005 1
1 771 . 2 1 1 A 64 64 LYS HA H 64 4.218 4.709 -0.491 1
1 772 . 2 1 1 A 64 64 LYS CB C 64 32.578 36.120 -3.542 1
1 784 . 2 1 1 A 64 64 LYS C C 64 176.684 175.783 0.901 1
1 785 . 2 1 1 A 65 65 ALA N N 65 123.107 124.469 -1.362 1
1 786 . 2 1 1 A 65 65 ALA H H 65 8.024 8.893 -0.869 1
1 787 . 2 1 1 A 65 65 ALA CA C 65 52.597 54.757 -2.160 1
1 788 . 2 1 1 A 65 65 ALA HA H 65 4.323 4.286 0.037 1
1 789 . 2 1 1 A 65 65 ALA CB C 65 19.229 19.642 -0.413 1
1 793 . 2 1 1 A 65 65 ALA C C 65 178.017 178.596 -0.579 1
1 794 . 2 1 1 A 66 66 GLY N N 66 107.464 105.371 2.093 1
1 795 . 2 1 1 A 66 66 GLY H H 66 8.165 8.134 0.031 1
1 796 . 2 1 1 A 66 66 GLY CA C 66 45.223 46.564 -1.341 1
1 797 . 2 1 1 A 66 66 GLY HA2 H 66 3.955 3.868 0.087 1
1 798 . 2 1 1 A 66 66 GLY HA3 H 66 3.888 3.868 0.020 1
1 799 . 2 1 1 A 66 66 GLY C C 66 173.809 173.972 -0.163 1
1 800 . 2 1 1 A 67 67 ILE N N 67 121.784 121.272 0.512 1
1 801 . 2 1 1 A 67 67 ILE H H 67 7.825 7.655 0.170 1
1 802 . 2 1 1 A 67 67 ILE CA C 67 58.397 57.841 0.556 1
1 803 . 2 1 1 A 67 67 ILE HA H 67 4.457 4.439 0.018 1
1 804 . 2 1 1 A 67 67 ILE CB C 67 38.622 38.233 0.389 1
1 817 . 2 1 1 A 67 67 ILE C C 67 174.638 174.287 0.351 1
1 818 . 2 1 1 A 68 68 PRO CA C 68 63.157 62.795 0.362 1
1 819 . 2 1 1 A 68 68 PRO HA H 68 4.499 4.732 -0.233 1
1 820 . 2 1 1 A 68 68 PRO CB C 68 31.946 31.890 0.056 1
1 829 . 2 1 1 A 68 68 PRO C C 68 176.866 175.852 1.014 1
1 830 . 2 1 1 A 69 69 VAL N N 69 120.953 122.883 -1.930 1
1 831 . 2 1 1 A 69 69 VAL H H 69 8.269 8.452 -0.183 1
1 832 . 2 1 1 A 69 69 VAL CA C 69 62.460 60.226 2.234 1
1 833 . 2 1 1 A 69 69 VAL HA H 69 4.112 4.485 -0.373 1
1 834 . 2 1 1 A 69 69 VAL CB C 69 32.882 33.660 -0.778 1
1 844 . 2 1 1 A 69 69 VAL C C 69 176.217 177.331 -1.114 1
1 845 . 2 1 1 A 70 70 SER N N 70 118.672 121.092 -2.420 1
1 846 . 2 1 1 A 70 70 SER H H 70 8.321 8.505 -0.184 1
1 847 . 2 1 1 A 70 70 SER CA C 70 58.127 60.031 -1.904 1
1 848 . 2 1 1 A 70 70 SER HA H 70 4.536 4.172 0.364 1
1 849 . 2 1 1 A 70 70 SER CB C 70 64.051 64.022 0.029 1
1 852 . 2 1 1 A 70 70 SER C C 70 174.419 174.528 -0.109 1
1 853 . 2 1 1 A 72 72 PRO CA C 72 63.221 62.501 0.720 1
1 854 . 2 1 1 A 72 72 PRO HA H 72 4.480 4.569 -0.089 1
1 855 . 2 1 1 A 72 72 PRO CB C 72 32.287 32.894 -0.607 1
1 864 . 2 1 1 A 73 73 SER N N 73 116.355 112.399 3.956 1
1 865 . 2 1 1 A 73 73 SER H H 73 8.521 8.353 0.168 1
1 866 . 2 1 1 A 73 73 SER CA C 73 58.407 59.857 -1.450 1
1 867 . 2 1 1 A 73 73 SER HA H 73 4.580 4.446 0.134 1
1 868 . 2 1 1 A 73 73 SER CB C 73 63.942 63.526 0.416 1
1 1 . 3 1 1 A 9 9 GLN CA C 9 56.082 55.858 0.224 1
1 2 . 3 1 1 A 9 9 GLN HA H 9 4.326 4.624 -0.298 1
1 3 . 3 1 1 A 9 9 GLN CB C 9 29.035 29.672 -0.637 1
1 9 . 3 1 1 A 9 9 GLN C C 9 176.519 175.766 0.753 1
1 10 . 3 1 1 A 10 10 LEU N N 10 124.239 125.768 -1.529 1
1 11 . 3 1 1 A 10 10 LEU H H 10 8.287 8.722 -0.435 1
1 12 . 3 1 1 A 10 10 LEU CA C 10 55.553 53.950 1.603 1
1 13 . 3 1 1 A 10 10 LEU HA H 10 4.390 4.905 -0.515 1
1 14 . 3 1 1 A 10 10 LEU CB C 10 42.168 43.554 -1.386 1
1 27 . 3 1 1 A 10 10 LEU C C 10 177.357 177.360 -0.003 1
1 28 . 3 1 1 A 11 11 TRP N N 11 124.940 122.707 2.233 1
1 29 . 3 1 1 A 11 11 TRP H H 11 8.879 8.767 0.112 1
1 30 . 3 1 1 A 11 11 TRP CA C 11 56.849 57.376 -0.527 1
1 31 . 3 1 1 A 11 11 TRP HA H 11 4.668 5.030 -0.362 1
1 32 . 3 1 1 A 11 11 TRP CB C 11 28.603 30.548 -1.945 1
1 47 . 3 1 1 A 11 11 TRP C C 11 177.416 176.179 1.237 1
1 48 . 3 1 1 A 12 12 THR N N 12 115.857 115.882 -0.025 1
1 49 . 3 1 1 A 12 12 THR H H 12 8.760 7.910 0.850 1
1 50 . 3 1 1 A 12 12 THR CA C 12 60.885 59.639 1.246 1
1 51 . 3 1 1 A 12 12 THR HA H 12 4.509 4.942 -0.433 1
1 52 . 3 1 1 A 12 12 THR CB C 12 71.142 70.963 0.179 1
1 58 . 3 1 1 A 12 12 THR C C 12 175.828 175.106 0.722 1
1 59 . 3 1 1 A 13 13 VAL N N 13 121.033 126.844 -5.811 1
1 60 . 3 1 1 A 13 13 VAL H H 13 8.782 8.833 -0.051 1
1 61 . 3 1 1 A 13 13 VAL CA C 13 66.558 65.545 1.013 1
1 62 . 3 1 1 A 13 13 VAL HA H 13 3.784 3.815 -0.031 1
1 63 . 3 1 1 A 13 13 VAL CB C 13 31.659 31.919 -0.260 1
1 73 . 3 1 1 A 13 13 VAL C C 13 178.595 177.660 0.935 1
1 74 . 3 1 1 A 14 14 GLU N N 14 119.290 121.656 -2.366 1
1 75 . 3 1 1 A 14 14 GLU H H 14 8.586 8.432 0.154 1
1 76 . 3 1 1 A 14 14 GLU CA C 14 60.285 59.941 0.344 1
1 77 . 3 1 1 A 14 14 GLU HA H 14 4.024 3.972 0.052 1
1 78 . 3 1 1 A 14 14 GLU CB C 14 29.039 29.244 -0.205 1
1 84 . 3 1 1 A 14 14 GLU C C 14 179.736 179.278 0.458 1
1 85 . 3 1 1 A 15 15 GLU N N 15 121.533 120.317 1.216 1
1 86 . 3 1 1 A 15 15 GLU H H 15 7.934 8.045 -0.111 1
1 87 . 3 1 1 A 15 15 GLU CA C 15 59.834 59.332 0.502 1
1 88 . 3 1 1 A 15 15 GLU HA H 15 3.990 4.213 -0.223 1
1 89 . 3 1 1 A 15 15 GLU CB C 15 31.315 29.466 1.849 1
1 95 . 3 1 1 A 15 15 GLU C C 15 178.886 179.418 -0.532 1
1 96 . 3 1 1 A 16 16 GLN N N 16 119.475 119.472 0.003 1
1 97 . 3 1 1 A 16 16 GLN H H 16 8.595 8.741 -0.146 1
1 98 . 3 1 1 A 16 16 GLN CA C 16 59.369 59.699 -0.330 1
1 99 . 3 1 1 A 16 16 GLN HA H 16 4.104 4.131 -0.027 1
1 100 . 3 1 1 A 16 16 GLN CB C 16 28.376 28.420 -0.044 1
1 109 . 3 1 1 A 16 16 GLN C C 16 178.548 178.387 0.161 1
1 110 . 3 1 1 A 17 17 LYS N N 17 119.404 118.830 0.574 1
1 111 . 3 1 1 A 17 17 LYS H H 17 8.241 8.143 0.098 1
1 112 . 3 1 1 A 17 17 LYS CA C 17 59.175 59.406 -0.231 1
1 113 . 3 1 1 A 17 17 LYS HA H 17 4.103 4.119 -0.016 1
1 114 . 3 1 1 A 17 17 LYS CB C 17 31.980 32.363 -0.383 1
1 126 . 3 1 1 A 17 17 LYS C C 17 179.663 178.900 0.763 1
1 127 . 3 1 1 A 18 18 LYS N N 18 120.546 119.687 0.859 1
1 128 . 3 1 1 A 18 18 LYS H H 18 7.852 7.844 0.008 1
1 129 . 3 1 1 A 18 18 LYS CA C 18 59.432 59.791 -0.359 1
1 130 . 3 1 1 A 18 18 LYS HA H 18 4.157 4.117 0.040 1
1 131 . 3 1 1 A 18 18 LYS CB C 18 32.166 32.545 -0.379 1
1 143 . 3 1 1 A 18 18 LYS C C 18 179.003 178.530 0.473 1
1 144 . 3 1 1 A 19 19 LEU N N 19 120.782 120.688 0.094 1
1 145 . 3 1 1 A 19 19 LEU H H 19 8.639 8.703 -0.064 1
1 146 . 3 1 1 A 19 19 LEU CA C 19 58.729 58.143 0.586 1
1 147 . 3 1 1 A 19 19 LEU HA H 19 4.042 4.201 -0.159 1
1 148 . 3 1 1 A 19 19 LEU CB C 19 41.465 41.581 -0.116 1
1 161 . 3 1 1 A 19 19 LEU C C 19 177.410 178.638 -1.228 1
1 162 . 3 1 1 A 20 20 GLU N N 20 116.982 118.629 -1.647 1
1 163 . 3 1 1 A 20 20 GLU H H 20 7.981 8.218 -0.237 1
1 164 . 3 1 1 A 20 20 GLU CA C 20 60.285 59.876 0.409 1
1 165 . 3 1 1 A 20 20 GLU HA H 20 3.647 4.089 -0.442 1
1 166 . 3 1 1 A 20 20 GLU CB C 20 29.612 29.323 0.289 1
1 172 . 3 1 1 A 20 20 GLU C C 20 179.066 179.428 -0.362 1
1 173 . 3 1 1 A 21 21 GLN N N 21 115.877 118.926 -3.049 1
1 174 . 3 1 1 A 21 21 GLN H H 21 7.518 8.050 -0.532 1
1 175 . 3 1 1 A 21 21 GLN CA C 21 58.409 59.127 -0.718 1
1 176 . 3 1 1 A 21 21 GLN HA H 21 4.112 4.013 0.099 1
1 177 . 3 1 1 A 21 21 GLN CB C 21 28.405 28.455 -0.050 1
1 186 . 3 1 1 A 21 21 GLN C C 21 180.271 178.662 1.609 1
1 187 . 3 1 1 A 22 22 LEU N N 22 123.461 120.998 2.463 1
1 188 . 3 1 1 A 22 22 LEU H H 22 8.775 8.439 0.336 1
1 189 . 3 1 1 A 22 22 LEU CA C 22 57.782 58.188 -0.406 1
1 190 . 3 1 1 A 22 22 LEU HA H 22 4.243 4.028 0.215 1
1 191 . 3 1 1 A 22 22 LEU CB C 22 42.687 41.869 0.818 1
1 204 . 3 1 1 A 22 22 LEU C C 22 178.112 179.020 -0.908 1
1 205 . 3 1 1 A 23 23 LEU N N 23 119.576 117.987 1.589 1
1 206 . 3 1 1 A 23 23 LEU H H 23 8.260 8.514 -0.254 1
1 207 . 3 1 1 A 23 23 LEU CA C 23 57.281 58.389 -1.108 1
1 208 . 3 1 1 A 23 23 LEU HA H 23 4.174 4.139 0.035 1
1 209 . 3 1 1 A 23 23 LEU CB C 23 42.175 41.864 0.311 1
1 222 . 3 1 1 A 23 23 LEU C C 23 177.927 179.200 -1.273 1
1 223 . 3 1 1 A 24 24 ILE N N 24 116.614 119.225 -2.611 1
1 224 . 3 1 1 A 24 24 ILE H H 24 6.949 7.933 -0.984 1
1 225 . 3 1 1 A 24 24 ILE CA C 24 62.755 64.770 -2.015 1
1 226 . 3 1 1 A 24 24 ILE HA H 24 3.787 3.688 0.099 1
1 227 . 3 1 1 A 24 24 ILE CB C 24 38.208 37.431 0.777 1
1 240 . 3 1 1 A 24 24 ILE C C 24 177.066 177.840 -0.774 1
1 241 . 3 1 1 A 25 25 LYS N N 25 121.060 122.577 -1.517 1
1 242 . 3 1 1 A 25 25 LYS H H 25 7.421 8.214 -0.793 1
1 243 . 3 1 1 A 25 25 LYS CA C 25 59.281 59.126 0.155 1
1 244 . 3 1 1 A 25 25 LYS HA H 25 3.726 4.004 -0.278 1
1 245 . 3 1 1 A 25 25 LYS CB C 25 34.011 31.907 2.104 1
1 257 . 3 1 1 A 25 25 LYS C C 25 175.900 175.713 0.187 1
1 258 . 3 1 1 A 26 26 TYR N N 26 117.015 117.139 -0.124 1
1 259 . 3 1 1 A 26 26 TYR H H 26 8.124 8.297 -0.173 1
1 260 . 3 1 1 A 26 26 TYR CA C 26 54.995 55.618 -0.623 1
1 261 . 3 1 1 A 26 26 TYR HA H 26 4.988 4.851 0.137 1
1 262 . 3 1 1 A 26 26 TYR CB C 26 37.055 39.157 -2.102 1
1 273 . 3 1 1 A 27 27 PRO CA C 27 62.102 61.653 0.449 1
1 274 . 3 1 1 A 27 27 PRO HA H 27 4.833 4.704 0.129 1
1 275 . 3 1 1 A 27 27 PRO CB C 27 30.960 31.550 -0.590 1
1 284 . 3 1 1 A 28 28 PRO CA C 28 64.218 62.687 1.531 1
1 285 . 3 1 1 A 28 28 PRO HA H 28 4.127 4.562 -0.435 1
1 286 . 3 1 1 A 28 28 PRO CB C 28 31.726 32.873 -1.147 1
1 295 . 3 1 1 A 28 28 PRO C C 28 175.552 176.138 -0.586 1
1 296 . 3 1 1 A 29 29 GLU N N 29 120.378 118.242 2.136 1
1 297 . 3 1 1 A 29 29 GLU H H 29 8.473 8.366 0.107 1
1 298 . 3 1 1 A 29 29 GLU CA C 29 54.425 54.767 -0.342 1
1 299 . 3 1 1 A 29 29 GLU HA H 29 4.734 4.840 -0.106 1
1 300 . 3 1 1 A 29 29 GLU CB C 29 33.430 32.554 0.876 1
1 306 . 3 1 1 A 29 29 GLU C C 29 175.244 176.264 -1.020 1
1 307 . 3 1 1 A 30 30 GLU N N 30 120.351 120.110 0.241 1
1 308 . 3 1 1 A 30 30 GLU H H 30 8.502 8.805 -0.303 1
1 309 . 3 1 1 A 30 30 GLU CA C 30 60.066 59.812 0.254 1
1 310 . 3 1 1 A 30 30 GLU HA H 30 3.898 3.910 -0.012 1
1 311 . 3 1 1 A 30 30 GLU CB C 30 30.038 29.380 0.658 1
1 317 . 3 1 1 A 30 30 GLU C C 30 177.211 176.639 0.572 1
1 318 . 3 1 1 A 31 31 VAL N N 31 119.224 117.935 1.289 1
1 319 . 3 1 1 A 31 31 VAL H H 31 8.363 7.730 0.633 1
1 320 . 3 1 1 A 31 31 VAL CA C 31 61.327 62.205 -0.878 1
1 321 . 3 1 1 A 31 31 VAL HA H 31 4.154 4.232 -0.078 1
1 322 . 3 1 1 A 31 31 VAL CB C 31 30.937 29.894 1.043 1
1 332 . 3 1 1 A 31 31 VAL C C 31 176.298 176.989 -0.691 1
1 333 . 3 1 1 A 32 32 GLU N N 32 128.219 125.777 2.442 1
1 334 . 3 1 1 A 32 32 GLU H H 32 8.453 8.164 0.289 1
1 335 . 3 1 1 A 32 32 GLU CA C 32 59.610 58.811 0.799 1
1 336 . 3 1 1 A 32 32 GLU HA H 32 3.729 3.552 0.177 1
1 337 . 3 1 1 A 32 32 GLU CB C 32 29.649 28.842 0.807 1
1 342 . 3 1 1 A 32 32 GLU C C 32 177.405 178.090 -0.685 1
1 343 . 3 1 1 A 33 33 SER N N 33 111.772 115.461 -3.689 1
1 344 . 3 1 1 A 33 33 SER H H 33 8.368 8.051 0.317 1
1 345 . 3 1 1 A 33 33 SER CA C 33 61.378 61.778 -0.400 1
1 346 . 3 1 1 A 33 33 SER HA H 33 4.087 4.284 -0.197 1
1 347 . 3 1 1 A 33 33 SER CB C 33 61.842 62.987 -1.145 1
1 350 . 3 1 1 A 33 33 SER C C 33 177.086 177.122 -0.036 1
1 351 . 3 1 1 A 34 34 ARG N N 34 121.109 120.986 0.123 1
1 352 . 3 1 1 A 34 34 ARG H H 34 7.445 7.666 -0.221 1
1 353 . 3 1 1 A 34 34 ARG CA C 34 58.682 59.589 -0.907 1
1 354 . 3 1 1 A 34 34 ARG HA H 34 4.067 3.911 0.156 1
1 355 . 3 1 1 A 34 34 ARG CB C 34 30.095 30.028 0.067 1
1 364 . 3 1 1 A 34 34 ARG C C 34 178.697 178.229 0.468 1
1 365 . 3 1 1 A 35 35 ARG N N 35 122.297 118.852 3.445 1
1 366 . 3 1 1 A 35 35 ARG H H 35 6.826 7.061 -0.235 1
1 367 . 3 1 1 A 35 35 ARG CA C 35 59.479 58.762 0.717 1
1 368 . 3 1 1 A 35 35 ARG HA H 35 3.718 3.805 -0.087 1
1 369 . 3 1 1 A 35 35 ARG CB C 35 30.578 29.220 1.358 1
1 380 . 3 1 1 A 35 35 ARG C C 35 178.318 178.845 -0.527 1
1 381 . 3 1 1 A 36 36 TRP N N 36 115.557 120.056 -4.499 1
1 382 . 3 1 1 A 36 36 TRP H H 36 7.702 7.358 0.344 1
1 383 . 3 1 1 A 36 36 TRP CA C 36 58.127 60.174 -2.047 1
1 384 . 3 1 1 A 36 36 TRP HA H 36 4.929 4.351 0.578 1
1 385 . 3 1 1 A 36 36 TRP CB C 36 30.618 29.080 1.538 1
1 400 . 3 1 1 A 36 36 TRP C C 36 178.742 178.857 -0.115 1
1 401 . 3 1 1 A 37 37 GLN N N 37 117.116 119.695 -2.579 1
1 402 . 3 1 1 A 37 37 GLN H H 37 7.923 7.968 -0.045 1
1 403 . 3 1 1 A 37 37 GLN CA C 37 58.501 58.980 -0.479 1
1 404 . 3 1 1 A 37 37 GLN HA H 37 3.950 4.028 -0.078 1
1 405 . 3 1 1 A 37 37 GLN CB C 37 28.719 28.090 0.629 1
1 414 . 3 1 1 A 37 37 GLN C C 37 177.079 178.400 -1.321 1
1 415 . 3 1 1 A 38 38 LYS N N 38 119.256 118.101 1.155 1
1 416 . 3 1 1 A 38 38 LYS H H 38 7.543 7.613 -0.070 1
1 417 . 3 1 1 A 38 38 LYS CA C 38 59.855 59.165 0.690 1
1 418 . 3 1 1 A 38 38 LYS HA H 38 3.875 3.931 -0.056 1
1 419 . 3 1 1 A 38 38 LYS CB C 38 31.717 31.970 -0.253 1
1 431 . 3 1 1 A 38 38 LYS C C 38 179.773 179.160 0.613 1
1 432 . 3 1 1 A 39 39 ILE N N 39 117.818 120.690 -2.872 1
1 433 . 3 1 1 A 39 39 ILE H H 39 7.614 7.804 -0.190 1
1 434 . 3 1 1 A 39 39 ILE CA C 39 66.296 65.654 0.642 1
1 435 . 3 1 1 A 39 39 ILE HA H 39 3.534 3.551 -0.017 1
1 436 . 3 1 1 A 39 39 ILE CB C 39 38.526 37.570 0.956 1
1 449 . 3 1 1 A 39 39 ILE C C 39 177.376 177.925 -0.549 1
1 450 . 3 1 1 A 40 40 ALA N N 40 122.394 122.199 0.195 1
1 451 . 3 1 1 A 40 40 ALA H H 40 8.680 8.714 -0.034 1
1 452 . 3 1 1 A 40 40 ALA CA C 40 56.117 55.901 0.216 1
1 453 . 3 1 1 A 40 40 ALA HA H 40 3.732 4.008 -0.276 1
1 454 . 3 1 1 A 40 40 ALA CB C 40 17.581 18.390 -0.809 1
1 458 . 3 1 1 A 40 40 ALA C C 40 180.101 178.811 1.290 1
1 459 . 3 1 1 A 41 41 ASP N N 41 117.487 118.408 -0.921 1
1 460 . 3 1 1 A 41 41 ASP H H 41 8.516 8.425 0.091 1
1 461 . 3 1 1 A 41 41 ASP CA C 41 57.069 57.787 -0.718 1
1 462 . 3 1 1 A 41 41 ASP HA H 41 4.425 4.305 0.120 1
1 463 . 3 1 1 A 41 41 ASP CB C 41 40.176 40.985 -0.809 1
1 466 . 3 1 1 A 41 41 ASP C C 41 178.731 178.307 0.424 1
1 467 . 3 1 1 A 42 42 GLU N N 42 118.631 117.662 0.969 1
1 468 . 3 1 1 A 42 42 GLU H H 42 7.391 7.964 -0.573 1
1 469 . 3 1 1 A 42 42 GLU CA C 42 59.678 59.351 0.327 1
1 470 . 3 1 1 A 42 42 GLU HA H 42 4.246 4.029 0.217 1
1 471 . 3 1 1 A 42 42 GLU CB C 42 29.612 29.321 0.291 1
1 477 . 3 1 1 A 42 42 GLU C C 42 178.559 179.213 -0.654 1
1 478 . 3 1 1 A 43 43 LEU N N 43 120.834 120.025 0.809 1
1 479 . 3 1 1 A 43 43 LEU H H 43 8.247 7.444 0.803 1
1 480 . 3 1 1 A 43 43 LEU CA C 43 57.274 56.896 0.378 1
1 481 . 3 1 1 A 43 43 LEU HA H 43 4.171 4.029 0.142 1
1 482 . 3 1 1 A 43 43 LEU CB C 43 42.237 42.220 0.017 1
1 495 . 3 1 1 A 43 43 LEU C C 43 179.282 177.100 2.182 1
1 496 . 3 1 1 A 44 44 GLY N N 44 106.089 107.452 -1.363 1
1 497 . 3 1 1 A 44 44 GLY H H 44 8.218 7.757 0.461 1
1 498 . 3 1 1 A 44 44 GLY CA C 44 46.203 45.448 0.755 1
1 499 . 3 1 1 A 44 44 GLY HA2 H 44 3.738 3.995 -0.257 1
1 500 . 3 1 1 A 44 44 GLY HA3 H 44 4.181 3.999 0.182 1
1 501 . 3 1 1 A 44 44 GLY C C 44 174.363 175.713 -1.350 1
1 502 . 3 1 1 A 45 45 ASN N N 45 117.303 117.205 0.098 1
1 503 . 3 1 1 A 45 45 ASN H H 45 8.060 8.112 -0.052 1
1 504 . 3 1 1 A 45 45 ASN CA C 45 52.872 55.006 -2.134 1
1 505 . 3 1 1 A 45 45 ASN HA H 45 4.637 4.565 0.072 1
1 506 . 3 1 1 A 45 45 ASN CB C 45 38.017 38.334 -0.317 1
1 512 . 3 1 1 A 45 45 ASN C C 45 174.403 176.155 -1.752 1
1 513 . 3 1 1 A 46 46 ARG N N 46 115.501 117.199 -1.698 1
1 514 . 3 1 1 A 46 46 ARG H H 46 7.091 7.752 -0.661 1
1 515 . 3 1 1 A 46 46 ARG CA C 46 52.521 55.728 -3.207 1
1 516 . 3 1 1 A 46 46 ARG HA H 46 4.948 4.382 0.566 1
1 517 . 3 1 1 A 46 46 ARG CB C 46 35.298 31.705 3.593 1
1 528 . 3 1 1 A 46 46 ARG C C 46 175.373 175.764 -0.391 1
1 529 . 3 1 1 A 47 47 THR N N 47 110.043 111.627 -1.584 1
1 530 . 3 1 1 A 47 47 THR H H 47 8.411 8.476 -0.065 1
1 531 . 3 1 1 A 47 47 THR CA C 47 59.643 59.541 0.102 1
1 532 . 3 1 1 A 47 47 THR HA H 47 4.602 4.791 -0.189 1
1 533 . 3 1 1 A 47 47 THR CB C 47 71.307 72.516 -1.209 1
1 539 . 3 1 1 A 47 47 THR C C 47 175.891 175.133 0.758 1
1 540 . 3 1 1 A 48 48 ALA N N 48 123.448 125.455 -2.007 1
1 541 . 3 1 1 A 48 48 ALA H H 48 9.205 9.029 0.176 1
1 542 . 3 1 1 A 48 48 ALA CA C 48 55.820 55.796 0.024 1
1 543 . 3 1 1 A 48 48 ALA HA H 48 3.869 4.109 -0.240 1
1 544 . 3 1 1 A 48 48 ALA CB C 48 17.997 18.563 -0.566 1
1 548 . 3 1 1 A 48 48 ALA C C 48 179.731 179.599 0.132 1
1 549 . 3 1 1 A 49 49 LYS N N 49 117.235 117.556 -0.321 1
1 550 . 3 1 1 A 49 49 LYS H H 49 8.127 8.291 -0.164 1
1 551 . 3 1 1 A 49 49 LYS CA C 49 59.436 59.538 -0.102 1
1 552 . 3 1 1 A 49 49 LYS HA H 49 4.008 3.872 0.136 1
1 553 . 3 1 1 A 49 49 LYS CB C 49 32.661 32.247 0.414 1
1 565 . 3 1 1 A 49 49 LYS C C 49 179.567 179.171 0.396 1
1 566 . 3 1 1 A 50 50 GLN N N 50 119.324 118.434 0.890 1
1 567 . 3 1 1 A 50 50 GLN H H 50 7.753 7.799 -0.046 1
1 568 . 3 1 1 A 50 50 GLN CA C 50 58.938 59.076 -0.138 1
1 569 . 3 1 1 A 50 50 GLN HA H 50 4.191 4.020 0.171 1
1 570 . 3 1 1 A 50 50 GLN CB C 50 29.389 28.330 1.059 1
1 579 . 3 1 1 A 50 50 GLN C C 50 180.097 178.390 1.707 1
1 580 . 3 1 1 A 51 51 VAL N N 51 120.881 120.576 0.305 1
1 581 . 3 1 1 A 51 51 VAL H H 51 8.397 8.163 0.234 1
1 582 . 3 1 1 A 51 51 VAL CA C 51 67.510 66.156 1.354 1
1 583 . 3 1 1 A 51 51 VAL HA H 51 3.491 3.689 -0.198 1
1 584 . 3 1 1 A 51 51 VAL CB C 51 31.871 31.433 0.438 1
1 594 . 3 1 1 A 51 51 VAL C C 51 176.150 177.561 -1.411 1
1 595 . 3 1 1 A 52 52 ALA N N 52 120.695 122.203 -1.508 1
1 596 . 3 1 1 A 52 52 ALA H H 52 8.057 8.457 -0.400 1
1 597 . 3 1 1 A 52 52 ALA CA C 52 55.307 55.084 0.223 1
1 598 . 3 1 1 A 52 52 ALA HA H 52 2.379 2.847 -0.468 1
1 599 . 3 1 1 A 52 52 ALA CB C 52 17.410 18.237 -0.827 1
1 603 . 3 1 1 A 52 52 ALA C C 52 180.088 179.573 0.515 1
1 604 . 3 1 1 A 53 53 SER N N 53 110.953 113.119 -2.166 1
1 605 . 3 1 1 A 53 53 SER H H 53 7.653 7.841 -0.188 1
1 606 . 3 1 1 A 53 53 SER CA C 53 61.291 61.299 -0.008 1
1 607 . 3 1 1 A 53 53 SER HA H 53 4.049 4.230 -0.181 1
1 608 . 3 1 1 A 53 53 SER CB C 53 63.032 62.805 0.227 1
1 610 . 3 1 1 A 53 53 SER C C 53 180.076 175.917 4.159 1
1 611 . 3 1 1 A 54 54 GLN N N 54 123.306 121.006 2.300 1
1 612 . 3 1 1 A 54 54 GLN H H 54 7.615 7.172 0.443 1
1 613 . 3 1 1 A 54 54 GLN CA C 54 57.843 58.348 -0.505 1
1 614 . 3 1 1 A 54 54 GLN HA H 54 3.844 3.857 -0.013 1
1 615 . 3 1 1 A 54 54 GLN CB C 54 27.422 27.969 -0.547 1
1 624 . 3 1 1 A 55 55 VAL N N 55 119.150 119.961 -0.811 1
1 625 . 3 1 1 A 55 55 VAL H H 55 8.266 7.865 0.401 1
1 626 . 3 1 1 A 55 55 VAL CA C 55 66.491 65.980 0.511 1
1 627 . 3 1 1 A 55 55 VAL HA H 55 3.417 3.320 0.097 1
1 628 . 3 1 1 A 55 55 VAL CB C 55 31.306 31.246 0.060 1
1 638 . 3 1 1 A 55 55 VAL C C 55 177.640 177.824 -0.184 1
1 639 . 3 1 1 A 56 56 GLN N N 56 116.992 119.122 -2.130 1
1 640 . 3 1 1 A 56 56 GLN H H 56 7.578 8.442 -0.864 1
1 641 . 3 1 1 A 56 56 GLN CA C 56 58.616 58.202 0.414 1
1 642 . 3 1 1 A 56 56 GLN HA H 56 3.964 4.049 -0.085 1
1 643 . 3 1 1 A 56 56 GLN CB C 56 28.115 28.383 -0.268 1
1 652 . 3 1 1 A 56 56 GLN C C 56 177.976 176.990 0.986 1
1 653 . 3 1 1 A 57 57 LYS N N 57 117.073 118.060 -0.987 1
1 654 . 3 1 1 A 57 57 LYS H H 57 7.378 8.372 -0.994 1
1 655 . 3 1 1 A 57 57 LYS CA C 57 58.958 56.593 2.365 1
1 656 . 3 1 1 A 57 57 LYS HA H 57 3.897 4.356 -0.459 1
1 657 . 3 1 1 A 57 57 LYS CB C 57 32.837 32.376 0.461 1
1 669 . 3 1 1 A 57 57 LYS C C 57 178.237 176.918 1.319 1
1 670 . 3 1 1 A 58 58 TYR N N 58 117.398 118.315 -0.917 1
1 671 . 3 1 1 A 58 58 TYR H H 58 7.722 8.420 -0.698 1
1 672 . 3 1 1 A 58 58 TYR CA C 58 59.231 59.233 -0.002 1
1 673 . 3 1 1 A 58 58 TYR HA H 58 4.422 4.610 -0.188 1
1 674 . 3 1 1 A 58 58 TYR CB C 58 38.850 40.093 -1.243 1
1 685 . 3 1 1 A 58 58 TYR C C 58 176.329 176.676 -0.347 1
1 686 . 3 1 1 A 59 59 PHE N N 59 118.720 116.176 2.544 1
1 687 . 3 1 1 A 59 59 PHE H H 59 8.197 8.034 0.163 1
1 688 . 3 1 1 A 59 59 PHE CA C 59 59.396 59.374 0.022 1
1 689 . 3 1 1 A 59 59 PHE HA H 59 4.487 4.579 -0.092 1
1 690 . 3 1 1 A 59 59 PHE CB C 59 39.309 40.367 -1.058 1
1 703 . 3 1 1 A 59 59 PHE C C 59 177.355 177.457 -0.102 1
1 704 . 3 1 1 A 60 60 ILE N N 60 120.989 119.945 1.044 1
1 705 . 3 1 1 A 60 60 ILE H H 60 7.940 7.851 0.089 1
1 706 . 3 1 1 A 60 60 ILE CA C 60 63.239 64.830 -1.591 1
1 707 . 3 1 1 A 60 60 ILE HA H 60 3.937 3.793 0.144 1
1 708 . 3 1 1 A 60 60 ILE CB C 60 38.017 36.860 1.157 1
1 721 . 3 1 1 A 60 60 ILE C C 60 177.197 178.224 -1.027 1
1 722 . 3 1 1 A 61 61 LYS N N 61 122.558 122.883 -0.325 1
1 723 . 3 1 1 A 61 61 LYS H H 61 8.056 8.114 -0.058 1
1 724 . 3 1 1 A 61 61 LYS CA C 61 57.840 58.923 -1.083 1
1 725 . 3 1 1 A 61 61 LYS HA H 61 4.158 4.081 0.077 1
1 726 . 3 1 1 A 61 61 LYS CB C 61 32.480 32.257 0.223 1
1 738 . 3 1 1 A 61 61 LYS C C 61 177.737 178.451 -0.714 1
1 739 . 3 1 1 A 62 62 LEU N N 62 120.763 114.739 6.024 1
1 740 . 3 1 1 A 62 62 LEU H H 62 8.145 7.940 0.205 1
1 741 . 3 1 1 A 62 62 LEU CA C 62 55.989 54.836 1.153 1
1 742 . 3 1 1 A 62 62 LEU HA H 62 4.302 4.312 -0.010 1
1 743 . 3 1 1 A 62 62 LEU CB C 62 42.379 41.009 1.370 1
1 756 . 3 1 1 A 62 62 LEU C C 62 178.178 176.889 1.289 1
1 757 . 3 1 1 A 63 63 THR N N 63 113.377 114.542 -1.165 1
1 758 . 3 1 1 A 63 63 THR H H 63 8.043 7.363 0.680 1
1 759 . 3 1 1 A 63 63 THR CA C 63 63.007 60.453 2.554 1
1 760 . 3 1 1 A 63 63 THR HA H 63 4.285 4.572 -0.287 1
1 761 . 3 1 1 A 63 63 THR CB C 63 70.153 68.939 1.214 1
1 767 . 3 1 1 A 63 63 THR C C 63 175.775 173.206 2.569 1
1 768 . 3 1 1 A 64 64 LYS N N 64 122.961 121.818 1.143 1
1 769 . 3 1 1 A 64 64 LYS H H 64 8.333 7.404 0.929 1
1 770 . 3 1 1 A 64 64 LYS CA C 64 57.298 55.945 1.353 1
1 771 . 3 1 1 A 64 64 LYS HA H 64 4.218 4.661 -0.443 1
1 772 . 3 1 1 A 64 64 LYS CB C 64 32.578 36.001 -3.423 1
1 784 . 3 1 1 A 64 64 LYS C C 64 176.684 174.061 2.623 1
1 785 . 3 1 1 A 65 65 ALA N N 65 123.107 127.793 -4.686 1
1 786 . 3 1 1 A 65 65 ALA H H 65 8.024 8.497 -0.473 1
1 787 . 3 1 1 A 65 65 ALA CA C 65 52.597 52.495 0.102 1
1 788 . 3 1 1 A 65 65 ALA HA H 65 4.323 4.538 -0.215 1
1 789 . 3 1 1 A 65 65 ALA CB C 65 19.229 19.173 0.056 1
1 793 . 3 1 1 A 65 65 ALA C C 65 178.017 178.253 -0.236 1
1 794 . 3 1 1 A 66 66 GLY N N 66 107.464 110.557 -3.093 1
1 795 . 3 1 1 A 66 66 GLY H H 66 8.165 8.877 -0.712 1
1 796 . 3 1 1 A 66 66 GLY CA C 66 45.223 45.203 0.020 1
1 797 . 3 1 1 A 66 66 GLY HA2 H 66 3.955 3.983 -0.028 1
1 798 . 3 1 1 A 66 66 GLY HA3 H 66 3.888 3.985 -0.097 1
1 799 . 3 1 1 A 66 66 GLY C C 66 173.809 174.388 -0.579 1
1 800 . 3 1 1 A 67 67 ILE N N 67 121.784 122.606 -0.822 1
1 801 . 3 1 1 A 67 67 ILE H H 67 7.825 7.816 0.009 1
1 802 . 3 1 1 A 67 67 ILE CA C 67 58.397 60.291 -1.894 1
1 803 . 3 1 1 A 67 67 ILE HA H 67 4.457 4.049 0.408 1
1 804 . 3 1 1 A 67 67 ILE CB C 67 38.622 37.882 0.740 1
1 817 . 3 1 1 A 67 67 ILE C C 67 174.638 174.466 0.172 1
1 818 . 3 1 1 A 68 68 PRO CA C 68 63.157 62.261 0.896 1
1 819 . 3 1 1 A 68 68 PRO HA H 68 4.499 4.581 -0.082 1
1 820 . 3 1 1 A 68 68 PRO CB C 68 31.946 32.280 -0.334 1
1 829 . 3 1 1 A 68 68 PRO C C 68 176.866 175.419 1.447 1
1 830 . 3 1 1 A 69 69 VAL N N 69 120.953 121.322 -0.369 1
1 831 . 3 1 1 A 69 69 VAL H H 69 8.269 8.549 -0.280 1
1 832 . 3 1 1 A 69 69 VAL CA C 69 62.460 61.583 0.877 1
1 833 . 3 1 1 A 69 69 VAL HA H 69 4.112 4.341 -0.229 1
1 834 . 3 1 1 A 69 69 VAL CB C 69 32.882 32.911 -0.029 1
1 844 . 3 1 1 A 69 69 VAL C C 69 176.217 175.582 0.635 1
1 845 . 3 1 1 A 70 70 SER N N 70 118.672 123.850 -5.178 1
1 846 . 3 1 1 A 70 70 SER H H 70 8.321 8.650 -0.329 1
1 847 . 3 1 1 A 70 70 SER CA C 70 58.127 57.409 0.718 1
1 848 . 3 1 1 A 70 70 SER HA H 70 4.536 5.216 -0.680 1
1 849 . 3 1 1 A 70 70 SER CB C 70 64.051 66.287 -2.236 1
1 852 . 3 1 1 A 70 70 SER C C 70 174.419 173.458 0.961 1
1 853 . 3 1 1 A 72 72 PRO CA C 72 63.221 62.302 0.919 1
1 854 . 3 1 1 A 72 72 PRO HA H 72 4.480 4.639 -0.159 1
1 855 . 3 1 1 A 72 72 PRO CB C 72 32.287 30.268 2.019 1
1 864 . 3 1 1 A 73 73 SER N N 73 116.355 121.675 -5.320 1
1 865 . 3 1 1 A 73 73 SER H H 73 8.521 8.454 0.067 1
1 866 . 3 1 1 A 73 73 SER CA C 73 58.407 61.472 -3.065 1
1 867 . 3 1 1 A 73 73 SER HA H 73 4.580 4.122 0.458 1
1 868 . 3 1 1 A 73 73 SER CB C 73 63.942 62.758 1.184 1
1 1 . 4 1 1 A 9 9 GLN CA C 9 56.082 54.965 1.117 1
1 2 . 4 1 1 A 9 9 GLN HA H 9 4.326 4.551 -0.225 1
1 3 . 4 1 1 A 9 9 GLN CB C 9 29.035 28.828 0.207 1
1 9 . 4 1 1 A 9 9 GLN C C 9 176.519 175.332 1.187 1
1 10 . 4 1 1 A 10 10 LEU N N 10 124.239 123.061 1.178 1
1 11 . 4 1 1 A 10 10 LEU H H 10 8.287 7.515 0.772 1
1 12 . 4 1 1 A 10 10 LEU CA C 10 55.553 55.869 -0.316 1
1 13 . 4 1 1 A 10 10 LEU HA H 10 4.390 4.357 0.033 1
1 14 . 4 1 1 A 10 10 LEU CB C 10 42.168 43.698 -1.530 1
1 27 . 4 1 1 A 10 10 LEU C C 10 177.357 177.114 0.243 1
1 28 . 4 1 1 A 11 11 TRP N N 11 124.940 125.437 -0.497 1
1 29 . 4 1 1 A 11 11 TRP H H 11 8.879 8.816 0.063 1
1 30 . 4 1 1 A 11 11 TRP CA C 11 56.849 57.672 -0.823 1
1 31 . 4 1 1 A 11 11 TRP HA H 11 4.668 4.882 -0.214 1
1 32 . 4 1 1 A 11 11 TRP CB C 11 28.603 29.949 -1.346 1
1 47 . 4 1 1 A 11 11 TRP C C 11 177.416 176.250 1.166 1
1 48 . 4 1 1 A 12 12 THR N N 12 115.857 114.828 1.029 1
1 49 . 4 1 1 A 12 12 THR H H 12 8.760 8.330 0.430 1
1 50 . 4 1 1 A 12 12 THR CA C 12 60.885 59.289 1.596 1
1 51 . 4 1 1 A 12 12 THR HA H 12 4.509 5.015 -0.506 1
1 52 . 4 1 1 A 12 12 THR CB C 12 71.142 70.682 0.460 1
1 58 . 4 1 1 A 12 12 THR C C 12 175.828 175.583 0.245 1
1 59 . 4 1 1 A 13 13 VAL N N 13 121.033 127.535 -6.502 1
1 60 . 4 1 1 A 13 13 VAL H H 13 8.782 8.888 -0.106 1
1 61 . 4 1 1 A 13 13 VAL CA C 13 66.558 66.927 -0.369 1
1 62 . 4 1 1 A 13 13 VAL HA H 13 3.784 4.089 -0.305 1
1 63 . 4 1 1 A 13 13 VAL CB C 13 31.659 31.713 -0.054 1
1 73 . 4 1 1 A 13 13 VAL C C 13 178.595 177.336 1.259 1
1 74 . 4 1 1 A 14 14 GLU N N 14 119.290 119.214 0.076 1
1 75 . 4 1 1 A 14 14 GLU H H 14 8.586 8.456 0.130 1
1 76 . 4 1 1 A 14 14 GLU CA C 14 60.285 59.675 0.610 1
1 77 . 4 1 1 A 14 14 GLU HA H 14 4.024 4.024 0.000 1
1 78 . 4 1 1 A 14 14 GLU CB C 14 29.039 29.398 -0.359 1
1 84 . 4 1 1 A 14 14 GLU C C 14 179.736 179.632 0.104 1
1 85 . 4 1 1 A 15 15 GLU N N 15 121.533 119.942 1.591 1
1 86 . 4 1 1 A 15 15 GLU H H 15 7.934 8.414 -0.480 1
1 87 . 4 1 1 A 15 15 GLU CA C 15 59.834 59.388 0.446 1
1 88 . 4 1 1 A 15 15 GLU HA H 15 3.990 4.144 -0.154 1
1 89 . 4 1 1 A 15 15 GLU CB C 15 31.315 29.468 1.847 1
1 95 . 4 1 1 A 15 15 GLU C C 15 178.886 179.458 -0.572 1
1 96 . 4 1 1 A 16 16 GLN N N 16 119.475 119.286 0.189 1
1 97 . 4 1 1 A 16 16 GLN H H 16 8.595 8.820 -0.225 1
1 98 . 4 1 1 A 16 16 GLN CA C 16 59.369 59.441 -0.072 1
1 99 . 4 1 1 A 16 16 GLN HA H 16 4.104 4.445 -0.341 1
1 100 . 4 1 1 A 16 16 GLN CB C 16 28.376 28.503 -0.127 1
1 109 . 4 1 1 A 16 16 GLN C C 16 178.548 178.618 -0.070 1
1 110 . 4 1 1 A 17 17 LYS N N 17 119.404 118.702 0.702 1
1 111 . 4 1 1 A 17 17 LYS H H 17 8.241 8.191 0.050 1
1 112 . 4 1 1 A 17 17 LYS CA C 17 59.175 59.422 -0.247 1
1 113 . 4 1 1 A 17 17 LYS HA H 17 4.103 4.320 -0.217 1
1 114 . 4 1 1 A 17 17 LYS CB C 17 31.980 32.477 -0.497 1
1 126 . 4 1 1 A 17 17 LYS C C 17 179.663 178.940 0.723 1
1 127 . 4 1 1 A 18 18 LYS N N 18 120.546 119.660 0.886 1
1 128 . 4 1 1 A 18 18 LYS H H 18 7.852 8.071 -0.219 1
1 129 . 4 1 1 A 18 18 LYS CA C 18 59.432 59.502 -0.070 1
1 130 . 4 1 1 A 18 18 LYS HA H 18 4.157 4.137 0.020 1
1 131 . 4 1 1 A 18 18 LYS CB C 18 32.166 32.194 -0.028 1
1 143 . 4 1 1 A 18 18 LYS C C 18 179.003 178.983 0.020 1
1 144 . 4 1 1 A 19 19 LEU N N 19 120.782 121.149 -0.367 1
1 145 . 4 1 1 A 19 19 LEU H H 19 8.639 8.703 -0.064 1
1 146 . 4 1 1 A 19 19 LEU CA C 19 58.729 58.562 0.167 1
1 147 . 4 1 1 A 19 19 LEU HA H 19 4.042 4.164 -0.122 1
1 148 . 4 1 1 A 19 19 LEU CB C 19 41.465 42.199 -0.734 1
1 161 . 4 1 1 A 19 19 LEU C C 19 177.410 178.594 -1.184 1
1 162 . 4 1 1 A 20 20 GLU N N 20 116.982 118.063 -1.081 1
1 163 . 4 1 1 A 20 20 GLU H H 20 7.981 8.392 -0.411 1
1 164 . 4 1 1 A 20 20 GLU CA C 20 60.285 59.864 0.421 1
1 165 . 4 1 1 A 20 20 GLU HA H 20 3.647 4.151 -0.504 1
1 166 . 4 1 1 A 20 20 GLU CB C 20 29.612 29.421 0.191 1
1 172 . 4 1 1 A 20 20 GLU C C 20 179.066 179.164 -0.098 1
1 173 . 4 1 1 A 21 21 GLN N N 21 115.877 119.253 -3.376 1
1 174 . 4 1 1 A 21 21 GLN H H 21 7.518 7.635 -0.117 1
1 175 . 4 1 1 A 21 21 GLN CA C 21 58.409 59.078 -0.669 1
1 176 . 4 1 1 A 21 21 GLN HA H 21 4.112 4.079 0.033 1
1 177 . 4 1 1 A 21 21 GLN CB C 21 28.405 28.556 -0.151 1
1 186 . 4 1 1 A 21 21 GLN C C 21 180.271 178.651 1.620 1
1 187 . 4 1 1 A 22 22 LEU N N 22 123.461 121.068 2.393 1
1 188 . 4 1 1 A 22 22 LEU H H 22 8.775 8.069 0.706 1
1 189 . 4 1 1 A 22 22 LEU CA C 22 57.782 58.262 -0.480 1
1 190 . 4 1 1 A 22 22 LEU HA H 22 4.243 4.084 0.159 1
1 191 . 4 1 1 A 22 22 LEU CB C 22 42.687 41.919 0.768 1
1 204 . 4 1 1 A 22 22 LEU C C 22 178.112 179.004 -0.892 1
1 205 . 4 1 1 A 23 23 LEU N N 23 119.576 117.997 1.579 1
1 206 . 4 1 1 A 23 23 LEU H H 23 8.260 8.378 -0.118 1
1 207 . 4 1 1 A 23 23 LEU CA C 23 57.281 58.370 -1.089 1
1 208 . 4 1 1 A 23 23 LEU HA H 23 4.174 4.115 0.059 1
1 209 . 4 1 1 A 23 23 LEU CB C 23 42.175 41.915 0.260 1
1 222 . 4 1 1 A 23 23 LEU C C 23 177.927 179.248 -1.321 1
1 223 . 4 1 1 A 24 24 ILE N N 24 116.614 119.303 -2.689 1
1 224 . 4 1 1 A 24 24 ILE H H 24 6.949 8.177 -1.228 1
1 225 . 4 1 1 A 24 24 ILE CA C 24 62.755 65.632 -2.877 1
1 226 . 4 1 1 A 24 24 ILE HA H 24 3.787 3.639 0.148 1
1 227 . 4 1 1 A 24 24 ILE CB C 24 38.208 37.577 0.631 1
1 240 . 4 1 1 A 24 24 ILE C C 24 177.066 178.123 -1.057 1
1 241 . 4 1 1 A 25 25 LYS N N 25 121.060 122.456 -1.396 1
1 242 . 4 1 1 A 25 25 LYS H H 25 7.421 7.971 -0.550 1
1 243 . 4 1 1 A 25 25 LYS CA C 25 59.281 59.215 0.066 1
1 244 . 4 1 1 A 25 25 LYS HA H 25 3.726 4.051 -0.325 1
1 245 . 4 1 1 A 25 25 LYS CB C 25 34.011 31.914 2.097 1
1 257 . 4 1 1 A 25 25 LYS C C 25 175.900 176.039 -0.139 1
1 258 . 4 1 1 A 26 26 TYR N N 26 117.015 116.883 0.132 1
1 259 . 4 1 1 A 26 26 TYR H H 26 8.124 8.597 -0.473 1
1 260 . 4 1 1 A 26 26 TYR CA C 26 54.995 55.248 -0.253 1
1 261 . 4 1 1 A 26 26 TYR HA H 26 4.988 4.958 0.030 1
1 262 . 4 1 1 A 26 26 TYR CB C 26 37.055 38.331 -1.276 1
1 273 . 4 1 1 A 27 27 PRO CA C 27 62.102 61.669 0.433 1
1 274 . 4 1 1 A 27 27 PRO HA H 27 4.833 4.676 0.157 1
1 275 . 4 1 1 A 27 27 PRO CB C 27 30.960 31.789 -0.829 1
1 284 . 4 1 1 A 28 28 PRO CA C 28 64.218 62.553 1.665 1
1 285 . 4 1 1 A 28 28 PRO HA H 28 4.127 4.534 -0.407 1
1 286 . 4 1 1 A 28 28 PRO CB C 28 31.726 33.078 -1.352 1
1 295 . 4 1 1 A 28 28 PRO C C 28 175.552 175.921 -0.369 1
1 296 . 4 1 1 A 29 29 GLU N N 29 120.378 117.611 2.767 1
1 297 . 4 1 1 A 29 29 GLU H H 29 8.473 8.410 0.063 1
1 298 . 4 1 1 A 29 29 GLU CA C 29 54.425 55.442 -1.017 1
1 299 . 4 1 1 A 29 29 GLU HA H 29 4.734 4.820 -0.086 1
1 300 . 4 1 1 A 29 29 GLU CB C 29 33.430 30.843 2.587 1
1 306 . 4 1 1 A 29 29 GLU C C 29 175.244 176.452 -1.208 1
1 307 . 4 1 1 A 30 30 GLU N N 30 120.351 117.872 2.479 1
1 308 . 4 1 1 A 30 30 GLU H H 30 8.502 9.021 -0.519 1
1 309 . 4 1 1 A 30 30 GLU CA C 30 60.066 59.271 0.795 1
1 310 . 4 1 1 A 30 30 GLU HA H 30 3.898 4.132 -0.234 1
1 311 . 4 1 1 A 30 30 GLU CB C 30 30.038 28.870 1.168 1
1 317 . 4 1 1 A 30 30 GLU C C 30 177.211 176.876 0.335 1
1 318 . 4 1 1 A 31 31 VAL N N 31 119.224 119.679 -0.455 1
1 319 . 4 1 1 A 31 31 VAL H H 31 8.363 8.058 0.305 1
1 320 . 4 1 1 A 31 31 VAL CA C 31 61.327 61.936 -0.609 1
1 321 . 4 1 1 A 31 31 VAL HA H 31 4.154 4.165 -0.011 1
1 322 . 4 1 1 A 31 31 VAL CB C 31 30.937 32.145 -1.208 1
1 332 . 4 1 1 A 31 31 VAL C C 31 176.298 175.685 0.613 1
1 333 . 4 1 1 A 32 32 GLU N N 32 128.219 128.619 -0.400 1
1 334 . 4 1 1 A 32 32 GLU H H 32 8.453 8.931 -0.478 1
1 335 . 4 1 1 A 32 32 GLU CA C 32 59.610 55.098 4.512 1
1 336 . 4 1 1 A 32 32 GLU HA H 32 3.729 4.266 -0.537 1
1 337 . 4 1 1 A 32 32 GLU CB C 32 29.649 28.201 1.448 1
1 342 . 4 1 1 A 32 32 GLU C C 32 177.405 176.606 0.799 1
1 343 . 4 1 1 A 33 33 SER N N 33 111.772 115.891 -4.119 1
1 344 . 4 1 1 A 33 33 SER H H 33 8.368 8.002 0.366 1
1 345 . 4 1 1 A 33 33 SER CA C 33 61.378 59.578 1.800 1
1 346 . 4 1 1 A 33 33 SER HA H 33 4.087 4.932 -0.845 1
1 347 . 4 1 1 A 33 33 SER CB C 33 61.842 65.174 -3.332 1
1 350 . 4 1 1 A 33 33 SER C C 33 177.086 176.114 0.972 1
1 351 . 4 1 1 A 34 34 ARG N N 34 121.109 119.309 1.800 1
1 352 . 4 1 1 A 34 34 ARG H H 34 7.445 8.066 -0.621 1
1 353 . 4 1 1 A 34 34 ARG CA C 34 58.682 58.990 -0.308 1
1 354 . 4 1 1 A 34 34 ARG HA H 34 4.067 4.034 0.033 1
1 355 . 4 1 1 A 34 34 ARG CB C 34 30.095 29.854 0.241 1
1 364 . 4 1 1 A 34 34 ARG C C 34 178.697 178.320 0.377 1
1 365 . 4 1 1 A 35 35 ARG N N 35 122.297 119.187 3.110 1
1 366 . 4 1 1 A 35 35 ARG H H 35 6.826 7.645 -0.819 1
1 367 . 4 1 1 A 35 35 ARG CA C 35 59.479 58.581 0.898 1
1 368 . 4 1 1 A 35 35 ARG HA H 35 3.718 3.766 -0.048 1
1 369 . 4 1 1 A 35 35 ARG CB C 35 30.578 29.192 1.386 1
1 380 . 4 1 1 A 35 35 ARG C C 35 178.318 178.780 -0.462 1
1 381 . 4 1 1 A 36 36 TRP N N 36 115.557 120.260 -4.703 1
1 382 . 4 1 1 A 36 36 TRP H H 36 7.702 7.275 0.427 1
1 383 . 4 1 1 A 36 36 TRP CA C 36 58.127 59.877 -1.750 1
1 384 . 4 1 1 A 36 36 TRP HA H 36 4.929 4.374 0.555 1
1 385 . 4 1 1 A 36 36 TRP CB C 36 30.618 29.145 1.473 1
1 400 . 4 1 1 A 36 36 TRP C C 36 178.742 178.854 -0.112 1
1 401 . 4 1 1 A 37 37 GLN N N 37 117.116 119.727 -2.611 1
1 402 . 4 1 1 A 37 37 GLN H H 37 7.923 8.061 -0.138 1
1 403 . 4 1 1 A 37 37 GLN CA C 37 58.501 58.964 -0.463 1
1 404 . 4 1 1 A 37 37 GLN HA H 37 3.950 4.014 -0.064 1
1 405 . 4 1 1 A 37 37 GLN CB C 37 28.719 28.566 0.153 1
1 414 . 4 1 1 A 37 37 GLN C C 37 177.079 178.308 -1.229 1
1 415 . 4 1 1 A 38 38 LYS N N 38 119.256 117.768 1.488 1
1 416 . 4 1 1 A 38 38 LYS H H 38 7.543 7.704 -0.161 1
1 417 . 4 1 1 A 38 38 LYS CA C 38 59.855 59.092 0.763 1
1 418 . 4 1 1 A 38 38 LYS HA H 38 3.875 3.910 -0.035 1
1 419 . 4 1 1 A 38 38 LYS CB C 38 31.717 32.036 -0.319 1
1 431 . 4 1 1 A 38 38 LYS C C 38 179.773 179.168 0.605 1
1 432 . 4 1 1 A 39 39 ILE N N 39 117.818 120.434 -2.616 1
1 433 . 4 1 1 A 39 39 ILE H H 39 7.614 7.530 0.084 1
1 434 . 4 1 1 A 39 39 ILE CA C 39 66.296 65.494 0.802 1
1 435 . 4 1 1 A 39 39 ILE HA H 39 3.534 3.434 0.100 1
1 436 . 4 1 1 A 39 39 ILE CB C 39 38.526 37.717 0.809 1
1 449 . 4 1 1 A 39 39 ILE C C 39 177.376 177.865 -0.489 1
1 450 . 4 1 1 A 40 40 ALA N N 40 122.394 122.491 -0.097 1
1 451 . 4 1 1 A 40 40 ALA H H 40 8.680 8.640 0.040 1
1 452 . 4 1 1 A 40 40 ALA CA C 40 56.117 55.738 0.379 1
1 453 . 4 1 1 A 40 40 ALA HA H 40 3.732 4.053 -0.321 1
1 454 . 4 1 1 A 40 40 ALA CB C 40 17.581 18.424 -0.843 1
1 458 . 4 1 1 A 40 40 ALA C C 40 180.101 179.032 1.069 1
1 459 . 4 1 1 A 41 41 ASP N N 41 117.487 118.454 -0.967 1
1 460 . 4 1 1 A 41 41 ASP H H 41 8.516 8.363 0.153 1
1 461 . 4 1 1 A 41 41 ASP CA C 41 57.069 57.790 -0.721 1
1 462 . 4 1 1 A 41 41 ASP HA H 41 4.425 4.345 0.080 1
1 463 . 4 1 1 A 41 41 ASP CB C 41 40.176 41.833 -1.657 1
1 466 . 4 1 1 A 41 41 ASP C C 41 178.731 178.662 0.069 1
1 467 . 4 1 1 A 42 42 GLU N N 42 118.631 118.884 -0.253 1
1 468 . 4 1 1 A 42 42 GLU H H 42 7.391 7.824 -0.433 1
1 469 . 4 1 1 A 42 42 GLU CA C 42 59.678 59.265 0.413 1
1 470 . 4 1 1 A 42 42 GLU HA H 42 4.246 4.112 0.134 1
1 471 . 4 1 1 A 42 42 GLU CB C 42 29.612 29.656 -0.044 1
1 477 . 4 1 1 A 42 42 GLU C C 42 178.559 179.426 -0.867 1
1 478 . 4 1 1 A 43 43 LEU N N 43 120.834 119.102 1.732 1
1 479 . 4 1 1 A 43 43 LEU H H 43 8.247 7.876 0.371 1
1 480 . 4 1 1 A 43 43 LEU CA C 43 57.274 56.380 0.894 1
1 481 . 4 1 1 A 43 43 LEU HA H 43 4.171 4.108 0.063 1
1 482 . 4 1 1 A 43 43 LEU CB C 43 42.237 42.578 -0.341 1
1 495 . 4 1 1 A 43 43 LEU C C 43 179.282 177.061 2.221 1
1 496 . 4 1 1 A 44 44 GLY N N 44 106.089 106.014 0.075 1
1 497 . 4 1 1 A 44 44 GLY H H 44 8.218 7.667 0.551 1
1 498 . 4 1 1 A 44 44 GLY CA C 44 46.203 45.819 0.384 1
1 499 . 4 1 1 A 44 44 GLY HA2 H 44 3.738 3.984 -0.246 1
1 500 . 4 1 1 A 44 44 GLY HA3 H 44 4.181 4.001 0.180 1
1 501 . 4 1 1 A 44 44 GLY C C 44 174.363 174.378 -0.015 1
1 502 . 4 1 1 A 45 45 ASN N N 45 117.303 123.683 -6.380 1
1 503 . 4 1 1 A 45 45 ASN H H 45 8.060 8.567 -0.507 1
1 504 . 4 1 1 A 45 45 ASN CA C 45 52.872 54.509 -1.637 1
1 505 . 4 1 1 A 45 45 ASN HA H 45 4.637 4.692 -0.055 1
1 506 . 4 1 1 A 45 45 ASN CB C 45 38.017 39.482 -1.465 1
1 512 . 4 1 1 A 45 45 ASN C C 45 174.403 175.609 -1.206 1
1 513 . 4 1 1 A 46 46 ARG N N 46 115.501 119.306 -3.805 1
1 514 . 4 1 1 A 46 46 ARG H H 46 7.091 7.674 -0.583 1
1 515 . 4 1 1 A 46 46 ARG CA C 46 52.521 56.814 -4.293 1
1 516 . 4 1 1 A 46 46 ARG HA H 46 4.948 4.155 0.793 1
1 517 . 4 1 1 A 46 46 ARG CB C 46 35.298 30.576 4.722 1
1 528 . 4 1 1 A 46 46 ARG C C 46 175.373 175.689 -0.316 1
1 529 . 4 1 1 A 47 47 THR N N 47 110.043 112.799 -2.756 1
1 530 . 4 1 1 A 47 47 THR H H 47 8.411 8.355 0.056 1
1 531 . 4 1 1 A 47 47 THR CA C 47 59.643 59.532 0.111 1
1 532 . 4 1 1 A 47 47 THR HA H 47 4.602 4.933 -0.331 1
1 533 . 4 1 1 A 47 47 THR CB C 47 71.307 72.075 -0.768 1
1 539 . 4 1 1 A 47 47 THR C C 47 175.891 175.912 -0.021 1
1 540 . 4 1 1 A 48 48 ALA N N 48 123.448 124.811 -1.363 1
1 541 . 4 1 1 A 48 48 ALA H H 48 9.205 9.133 0.072 1
1 542 . 4 1 1 A 48 48 ALA CA C 48 55.820 55.749 0.071 1
1 543 . 4 1 1 A 48 48 ALA HA H 48 3.869 4.094 -0.225 1
1 544 . 4 1 1 A 48 48 ALA CB C 48 17.997 18.559 -0.562 1
1 548 . 4 1 1 A 48 48 ALA C C 48 179.731 179.681 0.050 1
1 549 . 4 1 1 A 49 49 LYS N N 49 117.235 117.585 -0.350 1
1 550 . 4 1 1 A 49 49 LYS H H 49 8.127 8.266 -0.139 1
1 551 . 4 1 1 A 49 49 LYS CA C 49 59.436 59.652 -0.216 1
1 552 . 4 1 1 A 49 49 LYS HA H 49 4.008 3.853 0.155 1
1 553 . 4 1 1 A 49 49 LYS CB C 49 32.661 32.259 0.402 1
1 565 . 4 1 1 A 49 49 LYS C C 49 179.567 179.121 0.446 1
1 566 . 4 1 1 A 50 50 GLN N N 50 119.324 118.461 0.863 1
1 567 . 4 1 1 A 50 50 GLN H H 50 7.753 7.784 -0.031 1
1 568 . 4 1 1 A 50 50 GLN CA C 50 58.938 59.305 -0.367 1
1 569 . 4 1 1 A 50 50 GLN HA H 50 4.191 4.070 0.121 1
1 570 . 4 1 1 A 50 50 GLN CB C 50 29.389 28.479 0.910 1
1 579 . 4 1 1 A 50 50 GLN C C 50 180.097 178.400 1.697 1
1 580 . 4 1 1 A 51 51 VAL N N 51 120.881 120.210 0.671 1
1 581 . 4 1 1 A 51 51 VAL H H 51 8.397 8.091 0.306 1
1 582 . 4 1 1 A 51 51 VAL CA C 51 67.510 66.150 1.360 1
1 583 . 4 1 1 A 51 51 VAL HA H 51 3.491 3.729 -0.238 1
1 584 . 4 1 1 A 51 51 VAL CB C 51 31.871 31.692 0.179 1
1 594 . 4 1 1 A 51 51 VAL C C 51 176.150 177.649 -1.499 1
1 595 . 4 1 1 A 52 52 ALA N N 52 120.695 121.951 -1.256 1
1 596 . 4 1 1 A 52 52 ALA H H 52 8.057 8.638 -0.581 1
1 597 . 4 1 1 A 52 52 ALA CA C 52 55.307 54.846 0.461 1
1 598 . 4 1 1 A 52 52 ALA HA H 52 2.379 2.738 -0.359 1
1 599 . 4 1 1 A 52 52 ALA CB C 52 17.410 17.693 -0.283 1
1 603 . 4 1 1 A 52 52 ALA C C 52 180.088 179.581 0.507 1
1 604 . 4 1 1 A 53 53 SER N N 53 110.953 112.489 -1.536 1
1 605 . 4 1 1 A 53 53 SER H H 53 7.653 8.144 -0.491 1
1 606 . 4 1 1 A 53 53 SER CA C 53 61.291 60.554 0.737 1
1 607 . 4 1 1 A 53 53 SER HA H 53 4.049 4.440 -0.391 1
1 608 . 4 1 1 A 53 53 SER CB C 53 63.032 62.551 0.481 1
1 610 . 4 1 1 A 53 53 SER C C 53 180.076 176.494 3.582 1
1 611 . 4 1 1 A 54 54 GLN N N 54 123.306 120.896 2.410 1
1 612 . 4 1 1 A 54 54 GLN H H 54 7.615 7.620 -0.005 1
1 613 . 4 1 1 A 54 54 GLN CA C 54 57.843 57.541 0.302 1
1 614 . 4 1 1 A 54 54 GLN HA H 54 3.844 3.769 0.075 1
1 615 . 4 1 1 A 54 54 GLN CB C 54 27.422 27.862 -0.440 1
1 624 . 4 1 1 A 55 55 VAL N N 55 119.150 119.906 -0.756 1
1 625 . 4 1 1 A 55 55 VAL H H 55 8.266 7.336 0.930 1
1 626 . 4 1 1 A 55 55 VAL CA C 55 66.491 66.016 0.475 1
1 627 . 4 1 1 A 55 55 VAL HA H 55 3.417 3.463 -0.046 1
1 628 . 4 1 1 A 55 55 VAL CB C 55 31.306 31.437 -0.131 1
1 638 . 4 1 1 A 55 55 VAL C C 55 177.640 177.805 -0.165 1
1 639 . 4 1 1 A 56 56 GLN N N 56 116.992 119.402 -2.410 1
1 640 . 4 1 1 A 56 56 GLN H H 56 7.578 7.760 -0.182 1
1 641 . 4 1 1 A 56 56 GLN CA C 56 58.616 58.594 0.022 1
1 642 . 4 1 1 A 56 56 GLN HA H 56 3.964 4.033 -0.069 1
1 643 . 4 1 1 A 56 56 GLN CB C 56 28.115 28.416 -0.301 1
1 652 . 4 1 1 A 56 56 GLN C C 56 177.976 177.959 0.017 1
1 653 . 4 1 1 A 57 57 LYS N N 57 117.073 119.554 -2.481 1
1 654 . 4 1 1 A 57 57 LYS H H 57 7.378 7.792 -0.414 1
1 655 . 4 1 1 A 57 57 LYS CA C 57 58.958 58.750 0.208 1
1 656 . 4 1 1 A 57 57 LYS HA H 57 3.897 4.086 -0.189 1
1 657 . 4 1 1 A 57 57 LYS CB C 57 32.837 32.496 0.341 1
1 669 . 4 1 1 A 57 57 LYS C C 57 178.237 179.091 -0.854 1
1 670 . 4 1 1 A 58 58 TYR N N 58 117.398 118.903 -1.505 1
1 671 . 4 1 1 A 58 58 TYR H H 58 7.722 8.042 -0.320 1
1 672 . 4 1 1 A 58 58 TYR CA C 58 59.231 60.929 -1.698 1
1 673 . 4 1 1 A 58 58 TYR HA H 58 4.422 4.333 0.089 1
1 674 . 4 1 1 A 58 58 TYR CB C 58 38.850 37.982 0.868 1
1 685 . 4 1 1 A 58 58 TYR C C 58 176.329 176.874 -0.545 1
1 686 . 4 1 1 A 59 59 PHE N N 59 118.720 116.327 2.393 1
1 687 . 4 1 1 A 59 59 PHE H H 59 8.197 7.820 0.377 1
1 688 . 4 1 1 A 59 59 PHE CA C 59 59.396 58.890 0.506 1
1 689 . 4 1 1 A 59 59 PHE HA H 59 4.487 4.604 -0.117 1
1 690 . 4 1 1 A 59 59 PHE CB C 59 39.309 40.591 -1.282 1
1 703 . 4 1 1 A 59 59 PHE C C 59 177.355 176.816 0.539 1
1 704 . 4 1 1 A 60 60 ILE N N 60 120.989 119.011 1.978 1
1 705 . 4 1 1 A 60 60 ILE H H 60 7.940 8.422 -0.482 1
1 706 . 4 1 1 A 60 60 ILE CA C 60 63.239 61.431 1.808 1
1 707 . 4 1 1 A 60 60 ILE HA H 60 3.937 4.308 -0.371 1
1 708 . 4 1 1 A 60 60 ILE CB C 60 38.017 37.882 0.135 1
1 721 . 4 1 1 A 60 60 ILE C C 60 177.197 176.249 0.948 1
1 722 . 4 1 1 A 61 61 LYS N N 61 122.558 122.651 -0.093 1
1 723 . 4 1 1 A 61 61 LYS H H 61 8.056 7.877 0.179 1
1 724 . 4 1 1 A 61 61 LYS CA C 61 57.840 56.929 0.911 1
1 725 . 4 1 1 A 61 61 LYS HA H 61 4.158 4.648 -0.490 1
1 726 . 4 1 1 A 61 61 LYS CB C 61 32.480 35.396 -2.916 1
1 738 . 4 1 1 A 61 61 LYS C C 61 177.737 177.740 -0.003 1
1 739 . 4 1 1 A 62 62 LEU N N 62 120.763 117.435 3.328 1
1 740 . 4 1 1 A 62 62 LEU H H 62 8.145 7.994 0.151 1
1 741 . 4 1 1 A 62 62 LEU CA C 62 55.989 56.044 -0.055 1
1 742 . 4 1 1 A 62 62 LEU HA H 62 4.302 4.206 0.096 1
1 743 . 4 1 1 A 62 62 LEU CB C 62 42.379 40.870 1.509 1
1 756 . 4 1 1 A 62 62 LEU C C 62 178.178 176.836 1.342 1
1 757 . 4 1 1 A 63 63 THR N N 63 113.377 115.267 -1.890 1
1 758 . 4 1 1 A 63 63 THR H H 63 8.043 7.667 0.376 1
1 759 . 4 1 1 A 63 63 THR CA C 63 63.007 61.184 1.823 1
1 760 . 4 1 1 A 63 63 THR HA H 63 4.285 4.425 -0.140 1
1 761 . 4 1 1 A 63 63 THR CB C 63 70.153 68.143 2.010 1
1 767 . 4 1 1 A 63 63 THR C C 63 175.775 174.109 1.666 1
1 768 . 4 1 1 A 64 64 LYS N N 64 122.961 117.217 5.744 1
1 769 . 4 1 1 A 64 64 LYS H H 64 8.333 8.042 0.291 1
1 770 . 4 1 1 A 64 64 LYS CA C 64 57.298 57.434 -0.136 1
1 771 . 4 1 1 A 64 64 LYS HA H 64 4.218 3.942 0.276 1
1 772 . 4 1 1 A 64 64 LYS CB C 64 32.578 30.231 2.347 1
1 784 . 4 1 1 A 64 64 LYS C C 64 176.684 175.765 0.919 1
1 785 . 4 1 1 A 65 65 ALA N N 65 123.107 115.242 7.865 1
1 786 . 4 1 1 A 65 65 ALA H H 65 8.024 8.314 -0.290 1
1 787 . 4 1 1 A 65 65 ALA CA C 65 52.597 53.295 -0.698 1
1 788 . 4 1 1 A 65 65 ALA HA H 65 4.323 4.023 0.300 1
1 789 . 4 1 1 A 65 65 ALA CB C 65 19.229 17.455 1.774 1
1 793 . 4 1 1 A 65 65 ALA C C 65 178.017 177.734 0.283 1
1 794 . 4 1 1 A 66 66 GLY N N 66 107.464 104.172 3.292 1
1 795 . 4 1 1 A 66 66 GLY H H 66 8.165 8.077 0.088 1
1 796 . 4 1 1 A 66 66 GLY CA C 66 45.223 45.852 -0.629 1
1 797 . 4 1 1 A 66 66 GLY HA2 H 66 3.955 3.963 -0.008 1
1 798 . 4 1 1 A 66 66 GLY HA3 H 66 3.888 3.964 -0.076 1
1 799 . 4 1 1 A 66 66 GLY C C 66 173.809 172.873 0.936 1
1 800 . 4 1 1 A 67 67 ILE N N 67 121.784 119.450 2.334 1
1 801 . 4 1 1 A 67 67 ILE H H 67 7.825 7.333 0.492 1
1 802 . 4 1 1 A 67 67 ILE CA C 67 58.397 58.005 0.392 1
1 803 . 4 1 1 A 67 67 ILE HA H 67 4.457 4.666 -0.209 1
1 804 . 4 1 1 A 67 67 ILE CB C 67 38.622 41.658 -3.036 1
1 817 . 4 1 1 A 67 67 ILE C C 67 174.638 173.620 1.018 1
1 818 . 4 1 1 A 68 68 PRO CA C 68 63.157 62.753 0.404 1
1 819 . 4 1 1 A 68 68 PRO HA H 68 4.499 4.745 -0.246 1
1 820 . 4 1 1 A 68 68 PRO CB C 68 31.946 31.998 -0.052 1
1 829 . 4 1 1 A 68 68 PRO C C 68 176.866 176.442 0.424 1
1 830 . 4 1 1 A 69 69 VAL N N 69 120.953 118.225 2.728 1
1 831 . 4 1 1 A 69 69 VAL H H 69 8.269 8.666 -0.397 1
1 832 . 4 1 1 A 69 69 VAL CA C 69 62.460 63.420 -0.960 1
1 833 . 4 1 1 A 69 69 VAL HA H 69 4.112 4.065 0.047 1
1 834 . 4 1 1 A 69 69 VAL CB C 69 32.882 32.324 0.558 1
1 844 . 4 1 1 A 69 69 VAL C C 69 176.217 176.033 0.184 1
1 845 . 4 1 1 A 70 70 SER N N 70 118.672 114.993 3.679 1
1 846 . 4 1 1 A 70 70 SER H H 70 8.321 8.072 0.249 1
1 847 . 4 1 1 A 70 70 SER CA C 70 58.127 57.184 0.943 1
1 848 . 4 1 1 A 70 70 SER HA H 70 4.536 4.784 -0.248 1
1 849 . 4 1 1 A 70 70 SER CB C 70 64.051 65.103 -1.052 1
1 852 . 4 1 1 A 70 70 SER C C 70 174.419 173.474 0.945 1
1 853 . 4 1 1 A 72 72 PRO CA C 72 63.221 62.295 0.926 1
1 854 . 4 1 1 A 72 72 PRO HA H 72 4.480 4.682 -0.202 1
1 855 . 4 1 1 A 72 72 PRO CB C 72 32.287 30.097 2.190 1
1 864 . 4 1 1 A 73 73 SER N N 73 116.355 120.745 -4.390 1
1 865 . 4 1 1 A 73 73 SER H H 73 8.521 8.451 0.070 1
1 866 . 4 1 1 A 73 73 SER CA C 73 58.407 60.516 -2.109 1
1 867 . 4 1 1 A 73 73 SER HA H 73 4.580 4.471 0.109 1
1 868 . 4 1 1 A 73 73 SER CB C 73 63.942 63.804 0.138 1
1 1 . 5 1 1 A 9 9 GLN CA C 9 56.082 56.915 -0.833 1
1 2 . 5 1 1 A 9 9 GLN HA H 9 4.326 4.211 0.115 1
1 3 . 5 1 1 A 9 9 GLN CB C 9 29.035 29.108 -0.073 1
1 9 . 5 1 1 A 9 9 GLN C C 9 176.519 176.158 0.361 1
1 10 . 5 1 1 A 10 10 LEU N N 10 124.239 125.639 -1.400 1
1 11 . 5 1 1 A 10 10 LEU H H 10 8.287 8.545 -0.258 1
1 12 . 5 1 1 A 10 10 LEU CA C 10 55.553 55.000 0.553 1
1 13 . 5 1 1 A 10 10 LEU HA H 10 4.390 4.430 -0.040 1
1 14 . 5 1 1 A 10 10 LEU CB C 10 42.168 42.261 -0.093 1
1 27 . 5 1 1 A 10 10 LEU C C 10 177.357 177.531 -0.174 1
1 28 . 5 1 1 A 11 11 TRP N N 11 124.940 122.506 2.434 1
1 29 . 5 1 1 A 11 11 TRP H H 11 8.879 8.616 0.263 1
1 30 . 5 1 1 A 11 11 TRP CA C 11 56.849 58.229 -1.380 1
1 31 . 5 1 1 A 11 11 TRP HA H 11 4.668 4.700 -0.032 1
1 32 . 5 1 1 A 11 11 TRP CB C 11 28.603 30.556 -1.953 1
1 47 . 5 1 1 A 11 11 TRP C C 11 177.416 176.377 1.039 1
1 48 . 5 1 1 A 12 12 THR N N 12 115.857 115.882 -0.025 1
1 49 . 5 1 1 A 12 12 THR H H 12 8.760 7.983 0.777 1
1 50 . 5 1 1 A 12 12 THR CA C 12 60.885 59.635 1.250 1
1 51 . 5 1 1 A 12 12 THR HA H 12 4.509 4.782 -0.273 1
1 52 . 5 1 1 A 12 12 THR CB C 12 71.142 70.461 0.681 1
1 58 . 5 1 1 A 12 12 THR C C 12 175.828 175.608 0.220 1
1 59 . 5 1 1 A 13 13 VAL N N 13 121.033 127.605 -6.572 1
1 60 . 5 1 1 A 13 13 VAL H H 13 8.782 8.846 -0.064 1
1 61 . 5 1 1 A 13 13 VAL CA C 13 66.558 67.146 -0.588 1
1 62 . 5 1 1 A 13 13 VAL HA H 13 3.784 3.716 0.068 1
1 63 . 5 1 1 A 13 13 VAL CB C 13 31.659 31.761 -0.102 1
1 73 . 5 1 1 A 13 13 VAL C C 13 178.595 177.320 1.275 1
1 74 . 5 1 1 A 14 14 GLU N N 14 119.290 118.959 0.331 1
1 75 . 5 1 1 A 14 14 GLU H H 14 8.586 8.495 0.091 1
1 76 . 5 1 1 A 14 14 GLU CA C 14 60.285 59.724 0.561 1
1 77 . 5 1 1 A 14 14 GLU HA H 14 4.024 4.025 -0.001 1
1 78 . 5 1 1 A 14 14 GLU CB C 14 29.039 29.381 -0.342 1
1 84 . 5 1 1 A 14 14 GLU C C 14 179.736 179.039 0.697 1
1 85 . 5 1 1 A 15 15 GLU N N 15 121.533 119.001 2.532 1
1 86 . 5 1 1 A 15 15 GLU H H 15 7.934 8.446 -0.512 1
1 87 . 5 1 1 A 15 15 GLU CA C 15 59.834 58.685 1.149 1
1 88 . 5 1 1 A 15 15 GLU HA H 15 3.990 4.315 -0.325 1
1 89 . 5 1 1 A 15 15 GLU CB C 15 31.315 30.231 1.084 1
1 95 . 5 1 1 A 15 15 GLU C C 15 178.886 179.039 -0.153 1
1 96 . 5 1 1 A 16 16 GLN N N 16 119.475 119.474 0.001 1
1 97 . 5 1 1 A 16 16 GLN H H 16 8.595 8.794 -0.199 1
1 98 . 5 1 1 A 16 16 GLN CA C 16 59.369 58.938 0.431 1
1 99 . 5 1 1 A 16 16 GLN HA H 16 4.104 4.314 -0.210 1
1 100 . 5 1 1 A 16 16 GLN CB C 16 28.376 28.541 -0.165 1
1 109 . 5 1 1 A 16 16 GLN C C 16 178.548 178.237 0.311 1
1 110 . 5 1 1 A 17 17 LYS N N 17 119.404 118.515 0.889 1
1 111 . 5 1 1 A 17 17 LYS H H 17 8.241 8.505 -0.264 1
1 112 . 5 1 1 A 17 17 LYS CA C 17 59.175 58.893 0.282 1
1 113 . 5 1 1 A 17 17 LYS HA H 17 4.103 4.174 -0.071 1
1 114 . 5 1 1 A 17 17 LYS CB C 17 31.980 32.443 -0.463 1
1 126 . 5 1 1 A 17 17 LYS C C 17 179.663 179.064 0.599 1
1 127 . 5 1 1 A 18 18 LYS N N 18 120.546 119.932 0.614 1
1 128 . 5 1 1 A 18 18 LYS H H 18 7.852 8.246 -0.394 1
1 129 . 5 1 1 A 18 18 LYS CA C 18 59.432 59.380 0.052 1
1 130 . 5 1 1 A 18 18 LYS HA H 18 4.157 4.175 -0.018 1
1 131 . 5 1 1 A 18 18 LYS CB C 18 32.166 32.452 -0.286 1
1 143 . 5 1 1 A 18 18 LYS C C 18 179.003 178.615 0.388 1
1 144 . 5 1 1 A 19 19 LEU N N 19 120.782 121.015 -0.233 1
1 145 . 5 1 1 A 19 19 LEU H H 19 8.639 8.739 -0.100 1
1 146 . 5 1 1 A 19 19 LEU CA C 19 58.729 58.556 0.173 1
1 147 . 5 1 1 A 19 19 LEU HA H 19 4.042 4.144 -0.102 1
1 148 . 5 1 1 A 19 19 LEU CB C 19 41.465 41.901 -0.436 1
1 161 . 5 1 1 A 19 19 LEU C C 19 177.410 178.601 -1.191 1
1 162 . 5 1 1 A 20 20 GLU N N 20 116.982 118.048 -1.066 1
1 163 . 5 1 1 A 20 20 GLU H H 20 7.981 7.991 -0.010 1
1 164 . 5 1 1 A 20 20 GLU CA C 20 60.285 59.976 0.309 1
1 165 . 5 1 1 A 20 20 GLU HA H 20 3.647 4.113 -0.466 1
1 166 . 5 1 1 A 20 20 GLU CB C 20 29.612 29.419 0.193 1
1 172 . 5 1 1 A 20 20 GLU C C 20 179.066 179.798 -0.732 1
1 173 . 5 1 1 A 21 21 GLN N N 21 115.877 119.450 -3.573 1
1 174 . 5 1 1 A 21 21 GLN H H 21 7.518 7.831 -0.313 1
1 175 . 5 1 1 A 21 21 GLN CA C 21 58.409 58.402 0.007 1
1 176 . 5 1 1 A 21 21 GLN HA H 21 4.112 4.229 -0.117 1
1 177 . 5 1 1 A 21 21 GLN CB C 21 28.405 28.671 -0.266 1
1 186 . 5 1 1 A 21 21 GLN C C 21 180.271 178.585 1.686 1
1 187 . 5 1 1 A 22 22 LEU N N 22 123.461 120.684 2.777 1
1 188 . 5 1 1 A 22 22 LEU H H 22 8.775 8.671 0.104 1
1 189 . 5 1 1 A 22 22 LEU CA C 22 57.782 58.290 -0.508 1
1 190 . 5 1 1 A 22 22 LEU HA H 22 4.243 4.153 0.090 1
1 191 . 5 1 1 A 22 22 LEU CB C 22 42.687 41.746 0.941 1
1 204 . 5 1 1 A 22 22 LEU C C 22 178.112 179.674 -1.562 1
1 205 . 5 1 1 A 23 23 LEU N N 23 119.576 119.641 -0.065 1
1 206 . 5 1 1 A 23 23 LEU H H 23 8.260 8.510 -0.250 1
1 207 . 5 1 1 A 23 23 LEU CA C 23 57.281 58.422 -1.141 1
1 208 . 5 1 1 A 23 23 LEU HA H 23 4.174 4.088 0.086 1
1 209 . 5 1 1 A 23 23 LEU CB C 23 42.175 41.721 0.454 1
1 222 . 5 1 1 A 23 23 LEU C C 23 177.927 179.599 -1.672 1
1 223 . 5 1 1 A 24 24 ILE N N 24 116.614 119.685 -3.071 1
1 224 . 5 1 1 A 24 24 ILE H H 24 6.949 8.201 -1.252 1
1 225 . 5 1 1 A 24 24 ILE CA C 24 62.755 64.994 -2.239 1
1 226 . 5 1 1 A 24 24 ILE HA H 24 3.787 3.707 0.080 1
1 227 . 5 1 1 A 24 24 ILE CB C 24 38.208 37.605 0.603 1
1 240 . 5 1 1 A 24 24 ILE C C 24 177.066 177.935 -0.869 1
1 241 . 5 1 1 A 25 25 LYS N N 25 121.060 122.593 -1.533 1
1 242 . 5 1 1 A 25 25 LYS H H 25 7.421 7.860 -0.439 1
1 243 . 5 1 1 A 25 25 LYS CA C 25 59.281 59.035 0.246 1
1 244 . 5 1 1 A 25 25 LYS HA H 25 3.726 3.999 -0.273 1
1 245 . 5 1 1 A 25 25 LYS CB C 25 34.011 31.972 2.039 1
1 257 . 5 1 1 A 25 25 LYS C C 25 175.900 175.999 -0.099 1
1 258 . 5 1 1 A 26 26 TYR N N 26 117.015 116.508 0.507 1
1 259 . 5 1 1 A 26 26 TYR H H 26 8.124 8.469 -0.345 1
1 260 . 5 1 1 A 26 26 TYR CA C 26 54.995 55.015 -0.020 1
1 261 . 5 1 1 A 26 26 TYR HA H 26 4.988 4.972 0.016 1
1 262 . 5 1 1 A 26 26 TYR CB C 26 37.055 38.464 -1.409 1
1 273 . 5 1 1 A 27 27 PRO CA C 27 62.102 61.655 0.447 1
1 274 . 5 1 1 A 27 27 PRO HA H 27 4.833 4.697 0.136 1
1 275 . 5 1 1 A 27 27 PRO CB C 27 30.960 31.779 -0.819 1
1 284 . 5 1 1 A 28 28 PRO CA C 28 64.218 62.556 1.662 1
1 285 . 5 1 1 A 28 28 PRO HA H 28 4.127 4.473 -0.346 1
1 286 . 5 1 1 A 28 28 PRO CB C 28 31.726 33.077 -1.351 1
1 295 . 5 1 1 A 28 28 PRO C C 28 175.552 175.943 -0.391 1
1 296 . 5 1 1 A 29 29 GLU N N 29 120.378 117.926 2.452 1
1 297 . 5 1 1 A 29 29 GLU H H 29 8.473 8.354 0.119 1
1 298 . 5 1 1 A 29 29 GLU CA C 29 54.425 55.274 -0.849 1
1 299 . 5 1 1 A 29 29 GLU HA H 29 4.734 4.753 -0.019 1
1 300 . 5 1 1 A 29 29 GLU CB C 29 33.430 30.646 2.784 1
1 306 . 5 1 1 A 29 29 GLU C C 29 175.244 176.560 -1.316 1
1 307 . 5 1 1 A 30 30 GLU N N 30 120.351 118.119 2.232 1
1 308 . 5 1 1 A 30 30 GLU H H 30 8.502 9.016 -0.514 1
1 309 . 5 1 1 A 30 30 GLU CA C 30 60.066 59.351 0.715 1
1 310 . 5 1 1 A 30 30 GLU HA H 30 3.898 4.097 -0.199 1
1 311 . 5 1 1 A 30 30 GLU CB C 30 30.038 28.920 1.118 1
1 317 . 5 1 1 A 30 30 GLU C C 30 177.211 176.846 0.365 1
1 318 . 5 1 1 A 31 31 VAL N N 31 119.224 118.855 0.369 1
1 319 . 5 1 1 A 31 31 VAL H H 31 8.363 7.958 0.405 1
1 320 . 5 1 1 A 31 31 VAL CA C 31 61.327 61.663 -0.336 1
1 321 . 5 1 1 A 31 31 VAL HA H 31 4.154 4.197 -0.043 1
1 322 . 5 1 1 A 31 31 VAL CB C 31 30.937 31.519 -0.582 1
1 332 . 5 1 1 A 31 31 VAL C C 31 176.298 176.697 -0.399 1
1 333 . 5 1 1 A 32 32 GLU N N 32 128.219 127.119 1.100 1
1 334 . 5 1 1 A 32 32 GLU H H 32 8.453 8.753 -0.300 1
1 335 . 5 1 1 A 32 32 GLU CA C 32 59.610 58.955 0.655 1
1 336 . 5 1 1 A 32 32 GLU HA H 32 3.729 3.692 0.037 1
1 337 . 5 1 1 A 32 32 GLU CB C 32 29.649 28.907 0.742 1
1 342 . 5 1 1 A 32 32 GLU C C 32 177.405 178.198 -0.793 1
1 343 . 5 1 1 A 33 33 SER N N 33 111.772 115.589 -3.817 1
1 344 . 5 1 1 A 33 33 SER H H 33 8.368 8.299 0.069 1
1 345 . 5 1 1 A 33 33 SER CA C 33 61.378 61.531 -0.153 1
1 346 . 5 1 1 A 33 33 SER HA H 33 4.087 4.422 -0.335 1
1 347 . 5 1 1 A 33 33 SER CB C 33 61.842 62.709 -0.867 1
1 350 . 5 1 1 A 33 33 SER C C 33 177.086 176.963 0.123 1
1 351 . 5 1 1 A 34 34 ARG N N 34 121.109 121.242 -0.133 1
1 352 . 5 1 1 A 34 34 ARG H H 34 7.445 7.828 -0.383 1
1 353 . 5 1 1 A 34 34 ARG CA C 34 58.682 59.245 -0.563 1
1 354 . 5 1 1 A 34 34 ARG HA H 34 4.067 4.063 0.004 1
1 355 . 5 1 1 A 34 34 ARG CB C 34 30.095 29.871 0.224 1
1 364 . 5 1 1 A 34 34 ARG C C 34 178.697 178.483 0.214 1
1 365 . 5 1 1 A 35 35 ARG N N 35 122.297 118.525 3.772 1
1 366 . 5 1 1 A 35 35 ARG H H 35 6.826 7.274 -0.448 1
1 367 . 5 1 1 A 35 35 ARG CA C 35 59.479 58.643 0.836 1
1 368 . 5 1 1 A 35 35 ARG HA H 35 3.718 3.785 -0.067 1
1 369 . 5 1 1 A 35 35 ARG CB C 35 30.578 29.282 1.296 1
1 380 . 5 1 1 A 35 35 ARG C C 35 178.318 178.382 -0.064 1
1 381 . 5 1 1 A 36 36 TRP N N 36 115.557 119.565 -4.008 1
1 382 . 5 1 1 A 36 36 TRP H H 36 7.702 7.232 0.470 1
1 383 . 5 1 1 A 36 36 TRP CA C 36 58.127 59.531 -1.404 1
1 384 . 5 1 1 A 36 36 TRP HA H 36 4.929 4.422 0.507 1
1 385 . 5 1 1 A 36 36 TRP CB C 36 30.618 28.913 1.705 1
1 400 . 5 1 1 A 36 36 TRP C C 36 178.742 179.068 -0.326 1
1 401 . 5 1 1 A 37 37 GLN N N 37 117.116 119.941 -2.825 1
1 402 . 5 1 1 A 37 37 GLN H H 37 7.923 7.950 -0.027 1
1 403 . 5 1 1 A 37 37 GLN CA C 37 58.501 59.313 -0.812 1
1 404 . 5 1 1 A 37 37 GLN HA H 37 3.950 3.962 -0.012 1
1 405 . 5 1 1 A 37 37 GLN CB C 37 28.719 28.414 0.305 1
1 414 . 5 1 1 A 37 37 GLN C C 37 177.079 178.762 -1.683 1
1 415 . 5 1 1 A 38 38 LYS N N 38 119.256 118.834 0.422 1
1 416 . 5 1 1 A 38 38 LYS H H 38 7.543 8.058 -0.515 1
1 417 . 5 1 1 A 38 38 LYS CA C 38 59.855 58.824 1.031 1
1 418 . 5 1 1 A 38 38 LYS HA H 38 3.875 3.879 -0.004 1
1 419 . 5 1 1 A 38 38 LYS CB C 38 31.717 32.245 -0.528 1
1 431 . 5 1 1 A 38 38 LYS C C 38 179.773 178.670 1.103 1
1 432 . 5 1 1 A 39 39 ILE N N 39 117.818 120.233 -2.415 1
1 433 . 5 1 1 A 39 39 ILE H H 39 7.614 7.298 0.316 1
1 434 . 5 1 1 A 39 39 ILE CA C 39 66.296 65.657 0.639 1
1 435 . 5 1 1 A 39 39 ILE HA H 39 3.534 3.427 0.107 1
1 436 . 5 1 1 A 39 39 ILE CB C 39 38.526 38.909 -0.383 1
1 449 . 5 1 1 A 39 39 ILE C C 39 177.376 177.941 -0.565 1
1 450 . 5 1 1 A 40 40 ALA N N 40 122.394 122.529 -0.135 1
1 451 . 5 1 1 A 40 40 ALA H H 40 8.680 8.313 0.367 1
1 452 . 5 1 1 A 40 40 ALA CA C 40 56.117 55.718 0.399 1
1 453 . 5 1 1 A 40 40 ALA HA H 40 3.732 4.061 -0.329 1
1 454 . 5 1 1 A 40 40 ALA CB C 40 17.581 18.433 -0.852 1
1 458 . 5 1 1 A 40 40 ALA C C 40 180.101 178.762 1.339 1
1 459 . 5 1 1 A 41 41 ASP N N 41 117.487 118.564 -1.077 1
1 460 . 5 1 1 A 41 41 ASP H H 41 8.516 8.518 -0.002 1
1 461 . 5 1 1 A 41 41 ASP CA C 41 57.069 57.792 -0.723 1
1 462 . 5 1 1 A 41 41 ASP HA H 41 4.425 4.320 0.105 1
1 463 . 5 1 1 A 41 41 ASP CB C 41 40.176 40.978 -0.802 1
1 466 . 5 1 1 A 41 41 ASP C C 41 178.731 178.506 0.225 1
1 467 . 5 1 1 A 42 42 GLU N N 42 118.631 117.623 1.008 1
1 468 . 5 1 1 A 42 42 GLU H H 42 7.391 7.887 -0.496 1
1 469 . 5 1 1 A 42 42 GLU CA C 42 59.678 59.371 0.307 1
1 470 . 5 1 1 A 42 42 GLU HA H 42 4.246 4.047 0.199 1
1 471 . 5 1 1 A 42 42 GLU CB C 42 29.612 29.431 0.181 1
1 477 . 5 1 1 A 42 42 GLU C C 42 178.559 179.333 -0.774 1
1 478 . 5 1 1 A 43 43 LEU N N 43 120.834 119.526 1.308 1
1 479 . 5 1 1 A 43 43 LEU H H 43 8.247 7.553 0.694 1
1 480 . 5 1 1 A 43 43 LEU CA C 43 57.274 56.769 0.505 1
1 481 . 5 1 1 A 43 43 LEU HA H 43 4.171 4.003 0.168 1
1 482 . 5 1 1 A 43 43 LEU CB C 43 42.237 42.517 -0.280 1
1 495 . 5 1 1 A 43 43 LEU C C 43 179.282 177.199 2.083 1
1 496 . 5 1 1 A 44 44 GLY N N 44 106.089 107.620 -1.531 1
1 497 . 5 1 1 A 44 44 GLY H H 44 8.218 8.068 0.150 1
1 498 . 5 1 1 A 44 44 GLY CA C 44 46.203 45.558 0.645 1
1 499 . 5 1 1 A 44 44 GLY HA2 H 44 3.738 3.988 -0.250 1
1 500 . 5 1 1 A 44 44 GLY HA3 H 44 4.181 3.990 0.191 1
1 501 . 5 1 1 A 44 44 GLY C C 44 174.363 175.757 -1.394 1
1 502 . 5 1 1 A 45 45 ASN N N 45 117.303 117.251 0.052 1
1 503 . 5 1 1 A 45 45 ASN H H 45 8.060 8.162 -0.102 1
1 504 . 5 1 1 A 45 45 ASN CA C 45 52.872 55.207 -2.335 1
1 505 . 5 1 1 A 45 45 ASN HA H 45 4.637 4.601 0.036 1
1 506 . 5 1 1 A 45 45 ASN CB C 45 38.017 38.460 -0.443 1
1 512 . 5 1 1 A 45 45 ASN C C 45 174.403 176.217 -1.814 1
1 513 . 5 1 1 A 46 46 ARG N N 46 115.501 116.908 -1.407 1
1 514 . 5 1 1 A 46 46 ARG H H 46 7.091 7.739 -0.648 1
1 515 . 5 1 1 A 46 46 ARG CA C 46 52.521 55.112 -2.591 1
1 516 . 5 1 1 A 46 46 ARG HA H 46 4.948 4.525 0.423 1
1 517 . 5 1 1 A 46 46 ARG CB C 46 35.298 31.291 4.007 1
1 528 . 5 1 1 A 46 46 ARG C C 46 175.373 175.810 -0.437 1
1 529 . 5 1 1 A 47 47 THR N N 47 110.043 112.015 -1.972 1
1 530 . 5 1 1 A 47 47 THR H H 47 8.411 8.473 -0.062 1
1 531 . 5 1 1 A 47 47 THR CA C 47 59.643 59.200 0.443 1
1 532 . 5 1 1 A 47 47 THR HA H 47 4.602 5.004 -0.402 1
1 533 . 5 1 1 A 47 47 THR CB C 47 71.307 72.011 -0.704 1
1 539 . 5 1 1 A 47 47 THR C C 47 175.891 175.666 0.225 1
1 540 . 5 1 1 A 48 48 ALA N N 48 123.448 125.167 -1.719 1
1 541 . 5 1 1 A 48 48 ALA H H 48 9.205 9.104 0.101 1
1 542 . 5 1 1 A 48 48 ALA CA C 48 55.820 55.738 0.082 1
1 543 . 5 1 1 A 48 48 ALA HA H 48 3.869 4.245 -0.376 1
1 544 . 5 1 1 A 48 48 ALA CB C 48 17.997 18.370 -0.373 1
1 548 . 5 1 1 A 48 48 ALA C C 48 179.731 179.640 0.091 1
1 549 . 5 1 1 A 49 49 LYS N N 49 117.235 117.410 -0.175 1
1 550 . 5 1 1 A 49 49 LYS H H 49 8.127 8.261 -0.134 1
1 551 . 5 1 1 A 49 49 LYS CA C 49 59.436 59.596 -0.160 1
1 552 . 5 1 1 A 49 49 LYS HA H 49 4.008 3.845 0.163 1
1 553 . 5 1 1 A 49 49 LYS CB C 49 32.661 32.262 0.399 1
1 565 . 5 1 1 A 49 49 LYS C C 49 179.567 179.223 0.344 1
1 566 . 5 1 1 A 50 50 GLN N N 50 119.324 119.066 0.258 1
1 567 . 5 1 1 A 50 50 GLN H H 50 7.753 7.800 -0.047 1
1 568 . 5 1 1 A 50 50 GLN CA C 50 58.938 58.904 0.034 1
1 569 . 5 1 1 A 50 50 GLN HA H 50 4.191 4.016 0.175 1
1 570 . 5 1 1 A 50 50 GLN CB C 50 29.389 28.473 0.916 1
1 579 . 5 1 1 A 50 50 GLN C C 50 180.097 178.552 1.545 1
1 580 . 5 1 1 A 51 51 VAL N N 51 120.881 121.258 -0.377 1
1 581 . 5 1 1 A 51 51 VAL H H 51 8.397 7.835 0.562 1
1 582 . 5 1 1 A 51 51 VAL CA C 51 67.510 66.309 1.201 1
1 583 . 5 1 1 A 51 51 VAL HA H 51 3.491 3.656 -0.165 1
1 584 . 5 1 1 A 51 51 VAL CB C 51 31.871 31.407 0.464 1
1 594 . 5 1 1 A 51 51 VAL C C 51 176.150 177.563 -1.413 1
1 595 . 5 1 1 A 52 52 ALA N N 52 120.695 122.207 -1.512 1
1 596 . 5 1 1 A 52 52 ALA H H 52 8.057 8.435 -0.378 1
1 597 . 5 1 1 A 52 52 ALA CA C 52 55.307 54.915 0.392 1
1 598 . 5 1 1 A 52 52 ALA HA H 52 2.379 2.660 -0.281 1
1 599 . 5 1 1 A 52 52 ALA CB C 52 17.410 17.447 -0.037 1
1 603 . 5 1 1 A 52 52 ALA C C 52 180.088 178.783 1.305 1
1 604 . 5 1 1 A 53 53 SER N N 53 110.953 112.788 -1.835 1
1 605 . 5 1 1 A 53 53 SER H H 53 7.653 8.144 -0.491 1
1 606 . 5 1 1 A 53 53 SER CA C 53 61.291 61.562 -0.271 1
1 607 . 5 1 1 A 53 53 SER HA H 53 4.049 3.977 0.072 1
1 608 . 5 1 1 A 53 53 SER CB C 53 63.032 62.623 0.409 1
1 610 . 5 1 1 A 53 53 SER C C 53 180.076 176.001 4.075 1
1 611 . 5 1 1 A 54 54 GLN N N 54 123.306 121.077 2.229 1
1 612 . 5 1 1 A 54 54 GLN H H 54 7.615 7.694 -0.079 1
1 613 . 5 1 1 A 54 54 GLN CA C 54 57.843 58.197 -0.354 1
1 614 . 5 1 1 A 54 54 GLN HA H 54 3.844 3.584 0.260 1
1 615 . 5 1 1 A 54 54 GLN CB C 54 27.422 27.738 -0.316 1
1 624 . 5 1 1 A 55 55 VAL N N 55 119.150 119.693 -0.543 1
1 625 . 5 1 1 A 55 55 VAL H H 55 8.266 7.781 0.485 1
1 626 . 5 1 1 A 55 55 VAL CA C 55 66.491 66.499 -0.008 1
1 627 . 5 1 1 A 55 55 VAL HA H 55 3.417 3.483 -0.066 1
1 628 . 5 1 1 A 55 55 VAL CB C 55 31.306 31.155 0.151 1
1 638 . 5 1 1 A 55 55 VAL C C 55 177.640 177.792 -0.152 1
1 639 . 5 1 1 A 56 56 GLN N N 56 116.992 119.025 -2.033 1
1 640 . 5 1 1 A 56 56 GLN H H 56 7.578 7.475 0.103 1
1 641 . 5 1 1 A 56 56 GLN CA C 56 58.616 58.983 -0.367 1
1 642 . 5 1 1 A 56 56 GLN HA H 56 3.964 3.954 0.010 1
1 643 . 5 1 1 A 56 56 GLN CB C 56 28.115 28.378 -0.263 1
1 652 . 5 1 1 A 56 56 GLN C C 56 177.976 178.041 -0.065 1
1 653 . 5 1 1 A 57 57 LYS N N 57 117.073 117.309 -0.236 1
1 654 . 5 1 1 A 57 57 LYS H H 57 7.378 7.823 -0.445 1
1 655 . 5 1 1 A 57 57 LYS CA C 57 58.958 57.280 1.678 1
1 656 . 5 1 1 A 57 57 LYS HA H 57 3.897 4.284 -0.387 1
1 657 . 5 1 1 A 57 57 LYS CB C 57 32.837 32.393 0.444 1
1 669 . 5 1 1 A 57 57 LYS C C 57 178.237 177.355 0.882 1
1 670 . 5 1 1 A 58 58 TYR N N 58 117.398 117.908 -0.510 1
1 671 . 5 1 1 A 58 58 TYR H H 58 7.722 8.062 -0.340 1
1 672 . 5 1 1 A 58 58 TYR CA C 58 59.231 58.893 0.338 1
1 673 . 5 1 1 A 58 58 TYR HA H 58 4.422 4.624 -0.202 1
1 674 . 5 1 1 A 58 58 TYR CB C 58 38.850 40.463 -1.613 1
1 685 . 5 1 1 A 58 58 TYR C C 58 176.329 176.349 -0.020 1
1 686 . 5 1 1 A 59 59 PHE N N 59 118.720 116.922 1.798 1
1 687 . 5 1 1 A 59 59 PHE H H 59 8.197 7.712 0.485 1
1 688 . 5 1 1 A 59 59 PHE CA C 59 59.396 59.224 0.172 1
1 689 . 5 1 1 A 59 59 PHE HA H 59 4.487 4.655 -0.168 1
1 690 . 5 1 1 A 59 59 PHE CB C 59 39.309 40.119 -0.810 1
1 703 . 5 1 1 A 59 59 PHE C C 59 177.355 176.564 0.791 1
1 704 . 5 1 1 A 60 60 ILE N N 60 120.989 119.757 1.232 1
1 705 . 5 1 1 A 60 60 ILE H H 60 7.940 7.775 0.165 1
1 706 . 5 1 1 A 60 60 ILE CA C 60 63.239 65.414 -2.175 1
1 707 . 5 1 1 A 60 60 ILE HA H 60 3.937 3.705 0.232 1
1 708 . 5 1 1 A 60 60 ILE CB C 60 38.017 37.705 0.312 1
1 721 . 5 1 1 A 60 60 ILE C C 60 177.197 178.185 -0.988 1
1 722 . 5 1 1 A 61 61 LYS N N 61 122.558 122.369 0.189 1
1 723 . 5 1 1 A 61 61 LYS H H 61 8.056 7.553 0.503 1
1 724 . 5 1 1 A 61 61 LYS CA C 61 57.840 58.946 -1.106 1
1 725 . 5 1 1 A 61 61 LYS HA H 61 4.158 4.040 0.118 1
1 726 . 5 1 1 A 61 61 LYS CB C 61 32.480 32.381 0.099 1
1 738 . 5 1 1 A 61 61 LYS C C 61 177.737 178.028 -0.291 1
1 739 . 5 1 1 A 62 62 LEU N N 62 120.763 114.405 6.358 1
1 740 . 5 1 1 A 62 62 LEU H H 62 8.145 7.857 0.288 1
1 741 . 5 1 1 A 62 62 LEU CA C 62 55.989 54.164 1.825 1
1 742 . 5 1 1 A 62 62 LEU HA H 62 4.302 4.455 -0.153 1
1 743 . 5 1 1 A 62 62 LEU CB C 62 42.379 41.236 1.143 1
1 756 . 5 1 1 A 62 62 LEU C C 62 178.178 176.060 2.118 1
1 757 . 5 1 1 A 63 63 THR N N 63 113.377 114.383 -1.006 1
1 758 . 5 1 1 A 63 63 THR H H 63 8.043 7.525 0.518 1
1 759 . 5 1 1 A 63 63 THR CA C 63 63.007 60.137 2.870 1
1 760 . 5 1 1 A 63 63 THR HA H 63 4.285 4.707 -0.422 1
1 761 . 5 1 1 A 63 63 THR CB C 63 70.153 70.543 -0.390 1
1 767 . 5 1 1 A 63 63 THR C C 63 175.775 173.440 2.335 1
1 768 . 5 1 1 A 64 64 LYS N N 64 122.961 126.858 -3.897 1
1 769 . 5 1 1 A 64 64 LYS H H 64 8.333 9.124 -0.791 1
1 770 . 5 1 1 A 64 64 LYS CA C 64 57.298 57.788 -0.490 1
1 771 . 5 1 1 A 64 64 LYS HA H 64 4.218 4.528 -0.310 1
1 772 . 5 1 1 A 64 64 LYS CB C 64 32.578 35.548 -2.970 1
1 784 . 5 1 1 A 64 64 LYS C C 64 176.684 175.761 0.923 1
1 785 . 5 1 1 A 65 65 ALA N N 65 123.107 118.966 4.141 1
1 786 . 5 1 1 A 65 65 ALA H H 65 8.024 7.706 0.318 1
1 787 . 5 1 1 A 65 65 ALA CA C 65 52.597 51.627 0.970 1
1 788 . 5 1 1 A 65 65 ALA HA H 65 4.323 4.627 -0.304 1
1 789 . 5 1 1 A 65 65 ALA CB C 65 19.229 21.851 -2.622 1
1 793 . 5 1 1 A 65 65 ALA C C 65 178.017 176.421 1.596 1
1 794 . 5 1 1 A 66 66 GLY N N 66 107.464 106.727 0.737 1
1 795 . 5 1 1 A 66 66 GLY H H 66 8.165 8.306 -0.141 1
1 796 . 5 1 1 A 66 66 GLY CA C 66 45.223 45.341 -0.118 1
1 797 . 5 1 1 A 66 66 GLY HA2 H 66 3.955 3.984 -0.029 1
1 798 . 5 1 1 A 66 66 GLY HA3 H 66 3.888 3.988 -0.100 1
1 799 . 5 1 1 A 66 66 GLY C C 66 173.809 174.896 -1.087 1
1 800 . 5 1 1 A 67 67 ILE N N 67 121.784 121.915 -0.131 1
1 801 . 5 1 1 A 67 67 ILE H H 67 7.825 7.744 0.081 1
1 802 . 5 1 1 A 67 67 ILE CA C 67 58.397 59.488 -1.091 1
1 803 . 5 1 1 A 67 67 ILE HA H 67 4.457 4.245 0.212 1
1 804 . 5 1 1 A 67 67 ILE CB C 67 38.622 38.279 0.343 1
1 817 . 5 1 1 A 67 67 ILE C C 67 174.638 174.391 0.247 1
1 818 . 5 1 1 A 68 68 PRO CA C 68 63.157 62.763 0.394 1
1 819 . 5 1 1 A 68 68 PRO HA H 68 4.499 4.638 -0.139 1
1 820 . 5 1 1 A 68 68 PRO CB C 68 31.946 31.850 0.096 1
1 829 . 5 1 1 A 68 68 PRO C C 68 176.866 177.454 -0.588 1
1 830 . 5 1 1 A 69 69 VAL N N 69 120.953 120.486 0.467 1
1 831 . 5 1 1 A 69 69 VAL H H 69 8.269 8.541 -0.272 1
1 832 . 5 1 1 A 69 69 VAL CA C 69 62.460 64.826 -2.366 1
1 833 . 5 1 1 A 69 69 VAL HA H 69 4.112 3.983 0.129 1
1 834 . 5 1 1 A 69 69 VAL CB C 69 32.882 32.513 0.369 1
1 844 . 5 1 1 A 69 69 VAL C C 69 176.217 176.962 -0.745 1
1 845 . 5 1 1 A 70 70 SER N N 70 118.672 114.846 3.826 1
1 846 . 5 1 1 A 70 70 SER H H 70 8.321 7.874 0.447 1
1 847 . 5 1 1 A 70 70 SER CA C 70 58.127 57.090 1.037 1
1 848 . 5 1 1 A 70 70 SER HA H 70 4.536 4.572 -0.036 1
1 849 . 5 1 1 A 70 70 SER CB C 70 64.051 62.934 1.117 1
1 852 . 5 1 1 A 70 70 SER C C 70 174.419 173.658 0.761 1
1 853 . 5 1 1 A 72 72 PRO CA C 72 63.221 62.800 0.421 1
1 854 . 5 1 1 A 72 72 PRO HA H 72 4.480 4.796 -0.316 1
1 855 . 5 1 1 A 72 72 PRO CB C 72 32.287 32.687 -0.400 1
1 864 . 5 1 1 A 73 73 SER N N 73 116.355 117.461 -1.106 1
1 865 . 5 1 1 A 73 73 SER H H 73 8.521 8.909 -0.388 1
1 866 . 5 1 1 A 73 73 SER CA C 73 58.407 56.257 2.150 1
1 867 . 5 1 1 A 73 73 SER HA H 73 4.580 4.844 -0.264 1
1 868 . 5 1 1 A 73 73 SER CB C 73 63.942 65.571 -1.629 1
1 1 . 6 1 1 A 9 9 GLN CA C 9 56.082 55.213 0.869 1
1 2 . 6 1 1 A 9 9 GLN HA H 9 4.326 4.479 -0.153 1
1 3 . 6 1 1 A 9 9 GLN CB C 9 29.035 28.745 0.290 1
1 9 . 6 1 1 A 9 9 GLN C C 9 176.519 175.312 1.207 1
1 10 . 6 1 1 A 10 10 LEU N N 10 124.239 123.284 0.955 1
1 11 . 6 1 1 A 10 10 LEU H H 10 8.287 7.382 0.905 1
1 12 . 6 1 1 A 10 10 LEU CA C 10 55.553 55.730 -0.177 1
1 13 . 6 1 1 A 10 10 LEU HA H 10 4.390 4.245 0.145 1
1 14 . 6 1 1 A 10 10 LEU CB C 10 42.168 43.862 -1.694 1
1 27 . 6 1 1 A 10 10 LEU C C 10 177.357 176.639 0.718 1
1 28 . 6 1 1 A 11 11 TRP N N 11 124.940 124.264 0.676 1
1 29 . 6 1 1 A 11 11 TRP H H 11 8.879 8.539 0.340 1
1 30 . 6 1 1 A 11 11 TRP CA C 11 56.849 58.826 -1.977 1
1 31 . 6 1 1 A 11 11 TRP HA H 11 4.668 4.559 0.109 1
1 32 . 6 1 1 A 11 11 TRP CB C 11 28.603 30.129 -1.526 1
1 47 . 6 1 1 A 11 11 TRP C C 11 177.416 176.266 1.150 1
1 48 . 6 1 1 A 12 12 THR N N 12 115.857 118.716 -2.859 1
1 49 . 6 1 1 A 12 12 THR H H 12 8.760 8.337 0.423 1
1 50 . 6 1 1 A 12 12 THR CA C 12 60.885 60.478 0.407 1
1 51 . 6 1 1 A 12 12 THR HA H 12 4.509 4.667 -0.158 1
1 52 . 6 1 1 A 12 12 THR CB C 12 71.142 70.153 0.989 1
1 58 . 6 1 1 A 12 12 THR C C 12 175.828 175.228 0.600 1
1 59 . 6 1 1 A 13 13 VAL N N 13 121.033 126.923 -5.890 1
1 60 . 6 1 1 A 13 13 VAL H H 13 8.782 8.678 0.104 1
1 61 . 6 1 1 A 13 13 VAL CA C 13 66.558 65.537 1.021 1
1 62 . 6 1 1 A 13 13 VAL HA H 13 3.784 3.817 -0.033 1
1 63 . 6 1 1 A 13 13 VAL CB C 13 31.659 31.893 -0.234 1
1 73 . 6 1 1 A 13 13 VAL C C 13 178.595 177.642 0.953 1
1 74 . 6 1 1 A 14 14 GLU N N 14 119.290 121.132 -1.842 1
1 75 . 6 1 1 A 14 14 GLU H H 14 8.586 8.502 0.084 1
1 76 . 6 1 1 A 14 14 GLU CA C 14 60.285 59.960 0.325 1
1 77 . 6 1 1 A 14 14 GLU HA H 14 4.024 3.974 0.050 1
1 78 . 6 1 1 A 14 14 GLU CB C 14 29.039 29.189 -0.150 1
1 84 . 6 1 1 A 14 14 GLU C C 14 179.736 179.233 0.503 1
1 85 . 6 1 1 A 15 15 GLU N N 15 121.533 119.774 1.759 1
1 86 . 6 1 1 A 15 15 GLU H H 15 7.934 8.162 -0.228 1
1 87 . 6 1 1 A 15 15 GLU CA C 15 59.834 59.261 0.573 1
1 88 . 6 1 1 A 15 15 GLU HA H 15 3.990 4.255 -0.265 1
1 89 . 6 1 1 A 15 15 GLU CB C 15 31.315 29.695 1.620 1
1 95 . 6 1 1 A 15 15 GLU C C 15 178.886 179.546 -0.660 1
1 96 . 6 1 1 A 16 16 GLN N N 16 119.475 119.115 0.360 1
1 97 . 6 1 1 A 16 16 GLN H H 16 8.595 8.777 -0.182 1
1 98 . 6 1 1 A 16 16 GLN CA C 16 59.369 59.662 -0.293 1
1 99 . 6 1 1 A 16 16 GLN HA H 16 4.104 4.153 -0.049 1
1 100 . 6 1 1 A 16 16 GLN CB C 16 28.376 28.338 0.038 1
1 109 . 6 1 1 A 16 16 GLN C C 16 178.548 178.781 -0.233 1
1 110 . 6 1 1 A 17 17 LYS N N 17 119.404 118.880 0.524 1
1 111 . 6 1 1 A 17 17 LYS H H 17 8.241 8.100 0.141 1
1 112 . 6 1 1 A 17 17 LYS CA C 17 59.175 59.474 -0.299 1
1 113 . 6 1 1 A 17 17 LYS HA H 17 4.103 4.129 -0.026 1
1 114 . 6 1 1 A 17 17 LYS CB C 17 31.980 32.079 -0.099 1
1 126 . 6 1 1 A 17 17 LYS C C 17 179.663 178.924 0.739 1
1 127 . 6 1 1 A 18 18 LYS N N 18 120.546 119.581 0.965 1
1 128 . 6 1 1 A 18 18 LYS H H 18 7.852 7.734 0.118 1
1 129 . 6 1 1 A 18 18 LYS CA C 18 59.432 59.728 -0.296 1
1 130 . 6 1 1 A 18 18 LYS HA H 18 4.157 4.124 0.033 1
1 131 . 6 1 1 A 18 18 LYS CB C 18 32.166 32.544 -0.378 1
1 143 . 6 1 1 A 18 18 LYS C C 18 179.003 178.557 0.446 1
1 144 . 6 1 1 A 19 19 LEU N N 19 120.782 120.576 0.206 1
1 145 . 6 1 1 A 19 19 LEU H H 19 8.639 8.765 -0.126 1
1 146 . 6 1 1 A 19 19 LEU CA C 19 58.729 58.182 0.547 1
1 147 . 6 1 1 A 19 19 LEU HA H 19 4.042 4.165 -0.123 1
1 148 . 6 1 1 A 19 19 LEU CB C 19 41.465 41.660 -0.195 1
1 161 . 6 1 1 A 19 19 LEU C C 19 177.410 178.595 -1.185 1
1 162 . 6 1 1 A 20 20 GLU N N 20 116.982 118.154 -1.172 1
1 163 . 6 1 1 A 20 20 GLU H H 20 7.981 8.082 -0.101 1
1 164 . 6 1 1 A 20 20 GLU CA C 20 60.285 59.709 0.576 1
1 165 . 6 1 1 A 20 20 GLU HA H 20 3.647 4.073 -0.426 1
1 166 . 6 1 1 A 20 20 GLU CB C 20 29.612 29.308 0.304 1
1 172 . 6 1 1 A 20 20 GLU C C 20 179.066 179.609 -0.543 1
1 173 . 6 1 1 A 21 21 GLN N N 21 115.877 119.071 -3.194 1
1 174 . 6 1 1 A 21 21 GLN H H 21 7.518 7.753 -0.235 1
1 175 . 6 1 1 A 21 21 GLN CA C 21 58.409 58.679 -0.270 1
1 176 . 6 1 1 A 21 21 GLN HA H 21 4.112 4.072 0.040 1
1 177 . 6 1 1 A 21 21 GLN CB C 21 28.405 28.197 0.208 1
1 186 . 6 1 1 A 21 21 GLN C C 21 180.271 179.134 1.137 1
1 187 . 6 1 1 A 22 22 LEU N N 22 123.461 121.025 2.436 1
1 188 . 6 1 1 A 22 22 LEU H H 22 8.775 8.120 0.655 1
1 189 . 6 1 1 A 22 22 LEU CA C 22 57.782 57.963 -0.181 1
1 190 . 6 1 1 A 22 22 LEU HA H 22 4.243 4.066 0.177 1
1 191 . 6 1 1 A 22 22 LEU CB C 22 42.687 41.779 0.908 1
1 204 . 6 1 1 A 22 22 LEU C C 22 178.112 179.166 -1.054 1
1 205 . 6 1 1 A 23 23 LEU N N 23 119.576 118.259 1.317 1
1 206 . 6 1 1 A 23 23 LEU H H 23 8.260 8.716 -0.456 1
1 207 . 6 1 1 A 23 23 LEU CA C 23 57.281 58.364 -1.083 1
1 208 . 6 1 1 A 23 23 LEU HA H 23 4.174 4.110 0.064 1
1 209 . 6 1 1 A 23 23 LEU CB C 23 42.175 41.882 0.293 1
1 222 . 6 1 1 A 23 23 LEU C C 23 177.927 179.170 -1.243 1
1 223 . 6 1 1 A 24 24 ILE N N 24 116.614 118.782 -2.168 1
1 224 . 6 1 1 A 24 24 ILE H H 24 6.949 7.792 -0.843 1
1 225 . 6 1 1 A 24 24 ILE CA C 24 62.755 65.992 -3.237 1
1 226 . 6 1 1 A 24 24 ILE HA H 24 3.787 3.548 0.239 1
1 227 . 6 1 1 A 24 24 ILE CB C 24 38.208 38.020 0.188 1
1 240 . 6 1 1 A 24 24 ILE C C 24 177.066 178.128 -1.062 1
1 241 . 6 1 1 A 25 25 LYS N N 25 121.060 122.515 -1.455 1
1 242 . 6 1 1 A 25 25 LYS H H 25 7.421 7.855 -0.434 1
1 243 . 6 1 1 A 25 25 LYS CA C 25 59.281 59.043 0.238 1
1 244 . 6 1 1 A 25 25 LYS HA H 25 3.726 3.947 -0.221 1
1 245 . 6 1 1 A 25 25 LYS CB C 25 34.011 31.899 2.112 1
1 257 . 6 1 1 A 25 25 LYS C C 25 175.900 175.984 -0.084 1
1 258 . 6 1 1 A 26 26 TYR N N 26 117.015 116.733 0.282 1
1 259 . 6 1 1 A 26 26 TYR H H 26 8.124 8.534 -0.410 1
1 260 . 6 1 1 A 26 26 TYR CA C 26 54.995 54.980 0.015 1
1 261 . 6 1 1 A 26 26 TYR HA H 26 4.988 4.975 0.013 1
1 262 . 6 1 1 A 26 26 TYR CB C 26 37.055 38.582 -1.527 1
1 273 . 6 1 1 A 27 27 PRO CA C 27 62.102 61.675 0.427 1
1 274 . 6 1 1 A 27 27 PRO HA H 27 4.833 4.694 0.139 1
1 275 . 6 1 1 A 27 27 PRO CB C 27 30.960 31.835 -0.875 1
1 284 . 6 1 1 A 28 28 PRO CA C 28 64.218 62.653 1.565 1
1 285 . 6 1 1 A 28 28 PRO HA H 28 4.127 4.476 -0.349 1
1 286 . 6 1 1 A 28 28 PRO CB C 28 31.726 31.814 -0.088 1
1 295 . 6 1 1 A 28 28 PRO C C 28 175.552 176.571 -1.019 1
1 296 . 6 1 1 A 29 29 GLU N N 29 120.378 119.092 1.286 1
1 297 . 6 1 1 A 29 29 GLU H H 29 8.473 8.205 0.268 1
1 298 . 6 1 1 A 29 29 GLU CA C 29 54.425 54.945 -0.520 1
1 299 . 6 1 1 A 29 29 GLU HA H 29 4.734 4.535 0.199 1
1 300 . 6 1 1 A 29 29 GLU CB C 29 33.430 30.864 2.566 1
1 306 . 6 1 1 A 29 29 GLU C C 29 175.244 177.723 -2.479 1
1 307 . 6 1 1 A 30 30 GLU N N 30 120.351 119.406 0.945 1
1 308 . 6 1 1 A 30 30 GLU H H 30 8.502 8.881 -0.379 1
1 309 . 6 1 1 A 30 30 GLU CA C 30 60.066 59.481 0.585 1
1 310 . 6 1 1 A 30 30 GLU HA H 30 3.898 4.059 -0.161 1
1 311 . 6 1 1 A 30 30 GLU CB C 30 30.038 29.004 1.034 1
1 317 . 6 1 1 A 30 30 GLU C C 30 177.211 176.898 0.313 1
1 318 . 6 1 1 A 31 31 VAL N N 31 119.224 119.045 0.179 1
1 319 . 6 1 1 A 31 31 VAL H H 31 8.363 7.973 0.390 1
1 320 . 6 1 1 A 31 31 VAL CA C 31 61.327 61.726 -0.399 1
1 321 . 6 1 1 A 31 31 VAL HA H 31 4.154 4.163 -0.009 1
1 322 . 6 1 1 A 31 31 VAL CB C 31 30.937 31.313 -0.376 1
1 332 . 6 1 1 A 31 31 VAL C C 31 176.298 176.062 0.236 1
1 333 . 6 1 1 A 32 32 GLU N N 32 128.219 129.294 -1.075 1
1 334 . 6 1 1 A 32 32 GLU H H 32 8.453 8.470 -0.017 1
1 335 . 6 1 1 A 32 32 GLU CA C 32 59.610 59.590 0.020 1
1 336 . 6 1 1 A 32 32 GLU HA H 32 3.729 3.572 0.157 1
1 337 . 6 1 1 A 32 32 GLU CB C 32 29.649 29.515 0.134 1
1 342 . 6 1 1 A 32 32 GLU C C 32 177.405 177.814 -0.409 1
1 343 . 6 1 1 A 33 33 SER N N 33 111.772 114.284 -2.512 1
1 344 . 6 1 1 A 33 33 SER H H 33 8.368 8.031 0.337 1
1 345 . 6 1 1 A 33 33 SER CA C 33 61.378 61.636 -0.258 1
1 346 . 6 1 1 A 33 33 SER HA H 33 4.087 4.237 -0.150 1
1 347 . 6 1 1 A 33 33 SER CB C 33 61.842 62.964 -1.122 1
1 350 . 6 1 1 A 33 33 SER C C 33 177.086 177.256 -0.170 1
1 351 . 6 1 1 A 34 34 ARG N N 34 121.109 121.238 -0.129 1
1 352 . 6 1 1 A 34 34 ARG H H 34 7.445 7.632 -0.187 1
1 353 . 6 1 1 A 34 34 ARG CA C 34 58.682 59.745 -1.063 1
1 354 . 6 1 1 A 34 34 ARG HA H 34 4.067 3.953 0.114 1
1 355 . 6 1 1 A 34 34 ARG CB C 34 30.095 30.093 0.002 1
1 364 . 6 1 1 A 34 34 ARG C C 34 178.697 178.386 0.311 1
1 365 . 6 1 1 A 35 35 ARG N N 35 122.297 118.606 3.691 1
1 366 . 6 1 1 A 35 35 ARG H H 35 6.826 7.192 -0.366 1
1 367 . 6 1 1 A 35 35 ARG CA C 35 59.479 58.639 0.840 1
1 368 . 6 1 1 A 35 35 ARG HA H 35 3.718 3.845 -0.127 1
1 369 . 6 1 1 A 35 35 ARG CB C 35 30.578 29.331 1.247 1
1 380 . 6 1 1 A 35 35 ARG C C 35 178.318 179.038 -0.720 1
1 381 . 6 1 1 A 36 36 TRP N N 36 115.557 120.104 -4.547 1
1 382 . 6 1 1 A 36 36 TRP H H 36 7.702 7.255 0.447 1
1 383 . 6 1 1 A 36 36 TRP CA C 36 58.127 60.086 -1.959 1
1 384 . 6 1 1 A 36 36 TRP HA H 36 4.929 4.347 0.582 1
1 385 . 6 1 1 A 36 36 TRP CB C 36 30.618 29.057 1.561 1
1 400 . 6 1 1 A 36 36 TRP C C 36 178.742 178.672 0.070 1
1 401 . 6 1 1 A 37 37 GLN N N 37 117.116 119.239 -2.123 1
1 402 . 6 1 1 A 37 37 GLN H H 37 7.923 7.925 -0.002 1
1 403 . 6 1 1 A 37 37 GLN CA C 37 58.501 59.061 -0.560 1
1 404 . 6 1 1 A 37 37 GLN HA H 37 3.950 4.022 -0.072 1
1 405 . 6 1 1 A 37 37 GLN CB C 37 28.719 28.256 0.463 1
1 414 . 6 1 1 A 37 37 GLN C C 37 177.079 178.369 -1.290 1
1 415 . 6 1 1 A 38 38 LYS N N 38 119.256 117.468 1.788 1
1 416 . 6 1 1 A 38 38 LYS H H 38 7.543 7.551 -0.008 1
1 417 . 6 1 1 A 38 38 LYS CA C 38 59.855 58.906 0.949 1
1 418 . 6 1 1 A 38 38 LYS HA H 38 3.875 3.860 0.015 1
1 419 . 6 1 1 A 38 38 LYS CB C 38 31.717 31.553 0.164 1
1 431 . 6 1 1 A 38 38 LYS C C 38 179.773 178.755 1.018 1
1 432 . 6 1 1 A 39 39 ILE N N 39 117.818 120.916 -3.098 1
1 433 . 6 1 1 A 39 39 ILE H H 39 7.614 7.687 -0.073 1
1 434 . 6 1 1 A 39 39 ILE CA C 39 66.296 65.829 0.467 1
1 435 . 6 1 1 A 39 39 ILE HA H 39 3.534 3.582 -0.048 1
1 436 . 6 1 1 A 39 39 ILE CB C 39 38.526 38.130 0.396 1
1 449 . 6 1 1 A 39 39 ILE C C 39 177.376 177.971 -0.595 1
1 450 . 6 1 1 A 40 40 ALA N N 40 122.394 122.085 0.309 1
1 451 . 6 1 1 A 40 40 ALA H H 40 8.680 8.650 0.030 1
1 452 . 6 1 1 A 40 40 ALA CA C 40 56.117 55.558 0.559 1
1 453 . 6 1 1 A 40 40 ALA HA H 40 3.732 4.096 -0.364 1
1 454 . 6 1 1 A 40 40 ALA CB C 40 17.581 18.447 -0.866 1
1 458 . 6 1 1 A 40 40 ALA C C 40 180.101 178.846 1.255 1
1 459 . 6 1 1 A 41 41 ASP N N 41 117.487 118.759 -1.272 1
1 460 . 6 1 1 A 41 41 ASP H H 41 8.516 8.454 0.062 1
1 461 . 6 1 1 A 41 41 ASP CA C 41 57.069 57.915 -0.846 1
1 462 . 6 1 1 A 41 41 ASP HA H 41 4.425 4.300 0.125 1
1 463 . 6 1 1 A 41 41 ASP CB C 41 40.176 40.817 -0.641 1
1 466 . 6 1 1 A 41 41 ASP C C 41 178.731 178.570 0.161 1
1 467 . 6 1 1 A 42 42 GLU N N 42 118.631 117.993 0.638 1
1 468 . 6 1 1 A 42 42 GLU H H 42 7.391 8.151 -0.760 1
1 469 . 6 1 1 A 42 42 GLU CA C 42 59.678 59.355 0.323 1
1 470 . 6 1 1 A 42 42 GLU HA H 42 4.246 4.054 0.192 1
1 471 . 6 1 1 A 42 42 GLU CB C 42 29.612 29.474 0.138 1
1 477 . 6 1 1 A 42 42 GLU C C 42 178.559 179.404 -0.845 1
1 478 . 6 1 1 A 43 43 LEU N N 43 120.834 119.511 1.323 1
1 479 . 6 1 1 A 43 43 LEU H H 43 8.247 7.605 0.642 1
1 480 . 6 1 1 A 43 43 LEU CA C 43 57.274 56.726 0.548 1
1 481 . 6 1 1 A 43 43 LEU HA H 43 4.171 4.009 0.162 1
1 482 . 6 1 1 A 43 43 LEU CB C 43 42.237 42.567 -0.330 1
1 495 . 6 1 1 A 43 43 LEU C C 43 179.282 177.126 2.156 1
1 496 . 6 1 1 A 44 44 GLY N N 44 106.089 107.835 -1.746 1
1 497 . 6 1 1 A 44 44 GLY H H 44 8.218 8.164 0.054 1
1 498 . 6 1 1 A 44 44 GLY CA C 44 46.203 45.524 0.679 1
1 499 . 6 1 1 A 44 44 GLY HA2 H 44 3.738 3.986 -0.248 1
1 500 . 6 1 1 A 44 44 GLY HA3 H 44 4.181 3.986 0.195 1
1 501 . 6 1 1 A 44 44 GLY C C 44 174.363 174.777 -0.414 1
1 502 . 6 1 1 A 45 45 ASN N N 45 117.303 119.339 -2.036 1
1 503 . 6 1 1 A 45 45 ASN H H 45 8.060 8.131 -0.071 1
1 504 . 6 1 1 A 45 45 ASN CA C 45 52.872 55.866 -2.994 1
1 505 . 6 1 1 A 45 45 ASN HA H 45 4.637 4.463 0.174 1
1 506 . 6 1 1 A 45 45 ASN CB C 45 38.017 39.233 -1.216 1
1 512 . 6 1 1 A 45 45 ASN C C 45 174.403 175.462 -1.059 1
1 513 . 6 1 1 A 46 46 ARG N N 46 115.501 118.408 -2.907 1
1 514 . 6 1 1 A 46 46 ARG H H 46 7.091 7.711 -0.620 1
1 515 . 6 1 1 A 46 46 ARG CA C 46 52.521 55.139 -2.618 1
1 516 . 6 1 1 A 46 46 ARG HA H 46 4.948 4.486 0.462 1
1 517 . 6 1 1 A 46 46 ARG CB C 46 35.298 31.429 3.869 1
1 528 . 6 1 1 A 46 46 ARG C C 46 175.373 175.765 -0.392 1
1 529 . 6 1 1 A 47 47 THR N N 47 110.043 111.835 -1.792 1
1 530 . 6 1 1 A 47 47 THR H H 47 8.411 8.420 -0.009 1
1 531 . 6 1 1 A 47 47 THR CA C 47 59.643 59.432 0.211 1
1 532 . 6 1 1 A 47 47 THR HA H 47 4.602 4.968 -0.366 1
1 533 . 6 1 1 A 47 47 THR CB C 47 71.307 71.972 -0.665 1
1 539 . 6 1 1 A 47 47 THR C C 47 175.891 175.638 0.253 1
1 540 . 6 1 1 A 48 48 ALA N N 48 123.448 125.162 -1.714 1
1 541 . 6 1 1 A 48 48 ALA H H 48 9.205 9.102 0.103 1
1 542 . 6 1 1 A 48 48 ALA CA C 48 55.820 55.747 0.073 1
1 543 . 6 1 1 A 48 48 ALA HA H 48 3.869 4.087 -0.218 1
1 544 . 6 1 1 A 48 48 ALA CB C 48 17.997 18.523 -0.526 1
1 548 . 6 1 1 A 48 48 ALA C C 48 179.731 179.594 0.137 1
1 549 . 6 1 1 A 49 49 LYS N N 49 117.235 117.645 -0.410 1
1 550 . 6 1 1 A 49 49 LYS H H 49 8.127 8.261 -0.134 1
1 551 . 6 1 1 A 49 49 LYS CA C 49 59.436 59.599 -0.163 1
1 552 . 6 1 1 A 49 49 LYS HA H 49 4.008 3.854 0.154 1
1 553 . 6 1 1 A 49 49 LYS CB C 49 32.661 32.262 0.399 1
1 565 . 6 1 1 A 49 49 LYS C C 49 179.567 179.167 0.400 1
1 566 . 6 1 1 A 50 50 GLN N N 50 119.324 118.767 0.557 1
1 567 . 6 1 1 A 50 50 GLN H H 50 7.753 7.837 -0.084 1
1 568 . 6 1 1 A 50 50 GLN CA C 50 58.938 59.251 -0.313 1
1 569 . 6 1 1 A 50 50 GLN HA H 50 4.191 4.005 0.186 1
1 570 . 6 1 1 A 50 50 GLN CB C 50 29.389 28.418 0.971 1
1 579 . 6 1 1 A 50 50 GLN C C 50 180.097 178.436 1.661 1
1 580 . 6 1 1 A 51 51 VAL N N 51 120.881 120.519 0.362 1
1 581 . 6 1 1 A 51 51 VAL H H 51 8.397 8.256 0.141 1
1 582 . 6 1 1 A 51 51 VAL CA C 51 67.510 66.206 1.304 1
1 583 . 6 1 1 A 51 51 VAL HA H 51 3.491 3.704 -0.213 1
1 584 . 6 1 1 A 51 51 VAL CB C 51 31.871 31.532 0.339 1
1 594 . 6 1 1 A 51 51 VAL C C 51 176.150 177.622 -1.472 1
1 595 . 6 1 1 A 52 52 ALA N N 52 120.695 121.169 -0.474 1
1 596 . 6 1 1 A 52 52 ALA H H 52 8.057 8.369 -0.312 1
1 597 . 6 1 1 A 52 52 ALA CA C 52 55.307 54.880 0.427 1
1 598 . 6 1 1 A 52 52 ALA HA H 52 2.379 2.661 -0.282 1
1 599 . 6 1 1 A 52 52 ALA CB C 52 17.410 17.964 -0.554 1
1 603 . 6 1 1 A 52 52 ALA C C 52 180.088 179.305 0.783 1
1 604 . 6 1 1 A 53 53 SER N N 53 110.953 113.147 -2.194 1
1 605 . 6 1 1 A 53 53 SER H H 53 7.653 7.905 -0.252 1
1 606 . 6 1 1 A 53 53 SER CA C 53 61.291 61.472 -0.181 1
1 607 . 6 1 1 A 53 53 SER HA H 53 4.049 4.038 0.011 1
1 608 . 6 1 1 A 53 53 SER CB C 53 63.032 62.802 0.230 1
1 610 . 6 1 1 A 53 53 SER C C 53 180.076 175.843 4.233 1
1 611 . 6 1 1 A 54 54 GLN N N 54 123.306 120.995 2.311 1
1 612 . 6 1 1 A 54 54 GLN H H 54 7.615 7.689 -0.074 1
1 613 . 6 1 1 A 54 54 GLN CA C 54 57.843 58.172 -0.329 1
1 614 . 6 1 1 A 54 54 GLN HA H 54 3.844 3.716 0.128 1
1 615 . 6 1 1 A 54 54 GLN CB C 54 27.422 27.607 -0.185 1
1 624 . 6 1 1 A 55 55 VAL N N 55 119.150 119.848 -0.698 1
1 625 . 6 1 1 A 55 55 VAL H H 55 8.266 7.707 0.559 1
1 626 . 6 1 1 A 55 55 VAL CA C 55 66.491 66.748 -0.257 1
1 627 . 6 1 1 A 55 55 VAL HA H 55 3.417 3.469 -0.052 1
1 628 . 6 1 1 A 55 55 VAL CB C 55 31.306 31.064 0.242 1
1 638 . 6 1 1 A 55 55 VAL C C 55 177.640 177.752 -0.112 1
1 639 . 6 1 1 A 56 56 GLN N N 56 116.992 119.585 -2.593 1
1 640 . 6 1 1 A 56 56 GLN H H 56 7.578 7.853 -0.275 1
1 641 . 6 1 1 A 56 56 GLN CA C 56 58.616 59.506 -0.890 1
1 642 . 6 1 1 A 56 56 GLN HA H 56 3.964 3.898 0.066 1
1 643 . 6 1 1 A 56 56 GLN CB C 56 28.115 28.166 -0.051 1
1 652 . 6 1 1 A 56 56 GLN C C 56 177.976 178.221 -0.245 1
1 653 . 6 1 1 A 57 57 LYS N N 57 117.073 116.894 0.179 1
1 654 . 6 1 1 A 57 57 LYS H H 57 7.378 7.865 -0.487 1
1 655 . 6 1 1 A 57 57 LYS CA C 57 58.958 57.174 1.784 1
1 656 . 6 1 1 A 57 57 LYS HA H 57 3.897 4.305 -0.408 1
1 657 . 6 1 1 A 57 57 LYS CB C 57 32.837 32.385 0.452 1
1 669 . 6 1 1 A 57 57 LYS C C 57 178.237 176.971 1.266 1
1 670 . 6 1 1 A 58 58 TYR N N 58 117.398 118.055 -0.657 1
1 671 . 6 1 1 A 58 58 TYR H H 58 7.722 8.442 -0.720 1
1 672 . 6 1 1 A 58 58 TYR CA C 58 59.231 59.081 0.150 1
1 673 . 6 1 1 A 58 58 TYR HA H 58 4.422 4.634 -0.212 1
1 674 . 6 1 1 A 58 58 TYR CB C 58 38.850 40.193 -1.343 1
1 685 . 6 1 1 A 58 58 TYR C C 58 176.329 176.429 -0.100 1
1 686 . 6 1 1 A 59 59 PHE N N 59 118.720 116.169 2.551 1
1 687 . 6 1 1 A 59 59 PHE H H 59 8.197 8.335 -0.138 1
1 688 . 6 1 1 A 59 59 PHE CA C 59 59.396 59.186 0.210 1
1 689 . 6 1 1 A 59 59 PHE HA H 59 4.487 4.641 -0.154 1
1 690 . 6 1 1 A 59 59 PHE CB C 59 39.309 40.046 -0.737 1
1 703 . 6 1 1 A 59 59 PHE C C 59 177.355 177.434 -0.079 1
1 704 . 6 1 1 A 60 60 ILE N N 60 120.989 119.774 1.215 1
1 705 . 6 1 1 A 60 60 ILE H H 60 7.940 8.049 -0.109 1
1 706 . 6 1 1 A 60 60 ILE CA C 60 63.239 65.425 -2.186 1
1 707 . 6 1 1 A 60 60 ILE HA H 60 3.937 3.868 0.069 1
1 708 . 6 1 1 A 60 60 ILE CB C 60 38.017 37.771 0.246 1
1 721 . 6 1 1 A 60 60 ILE C C 60 177.197 178.069 -0.872 1
1 722 . 6 1 1 A 61 61 LYS N N 61 122.558 120.865 1.693 1
1 723 . 6 1 1 A 61 61 LYS H H 61 8.056 7.779 0.277 1
1 724 . 6 1 1 A 61 61 LYS CA C 61 57.840 59.926 -2.086 1
1 725 . 6 1 1 A 61 61 LYS HA H 61 4.158 4.007 0.151 1
1 726 . 6 1 1 A 61 61 LYS CB C 61 32.480 31.977 0.503 1
1 738 . 6 1 1 A 61 61 LYS C C 61 177.737 178.871 -1.134 1
1 739 . 6 1 1 A 62 62 LEU N N 62 120.763 118.791 1.972 1
1 740 . 6 1 1 A 62 62 LEU H H 62 8.145 7.873 0.272 1
1 741 . 6 1 1 A 62 62 LEU CA C 62 55.989 58.002 -2.013 1
1 742 . 6 1 1 A 62 62 LEU HA H 62 4.302 3.960 0.342 1
1 743 . 6 1 1 A 62 62 LEU CB C 62 42.379 41.910 0.469 1
1 756 . 6 1 1 A 62 62 LEU C C 62 178.178 177.301 0.877 1
1 757 . 6 1 1 A 63 63 THR N N 63 113.377 110.377 3.000 1
1 758 . 6 1 1 A 63 63 THR H H 63 8.043 7.141 0.902 1
1 759 . 6 1 1 A 63 63 THR CA C 63 63.007 62.359 0.648 1
1 760 . 6 1 1 A 63 63 THR HA H 63 4.285 4.299 -0.014 1
1 761 . 6 1 1 A 63 63 THR CB C 63 70.153 69.376 0.777 1
1 767 . 6 1 1 A 63 63 THR C C 63 175.775 174.416 1.359 1
1 768 . 6 1 1 A 64 64 LYS N N 64 122.961 118.827 4.134 1
1 769 . 6 1 1 A 64 64 LYS H H 64 8.333 9.043 -0.710 1
1 770 . 6 1 1 A 64 64 LYS CA C 64 57.298 57.143 0.155 1
1 771 . 6 1 1 A 64 64 LYS HA H 64 4.218 3.723 0.495 1
1 772 . 6 1 1 A 64 64 LYS CB C 64 32.578 30.362 2.216 1
1 784 . 6 1 1 A 64 64 LYS C C 64 176.684 175.670 1.014 1
1 785 . 6 1 1 A 65 65 ALA N N 65 123.107 121.087 2.020 1
1 786 . 6 1 1 A 65 65 ALA H H 65 8.024 7.377 0.647 1
1 787 . 6 1 1 A 65 65 ALA CA C 65 52.597 53.704 -1.107 1
1 788 . 6 1 1 A 65 65 ALA HA H 65 4.323 4.067 0.256 1
1 789 . 6 1 1 A 65 65 ALA CB C 65 19.229 19.021 0.208 1
1 793 . 6 1 1 A 65 65 ALA C C 65 178.017 178.426 -0.409 1
1 794 . 6 1 1 A 66 66 GLY N N 66 107.464 110.419 -2.955 1
1 795 . 6 1 1 A 66 66 GLY H H 66 8.165 8.813 -0.648 1
1 796 . 6 1 1 A 66 66 GLY CA C 66 45.223 46.422 -1.199 1
1 797 . 6 1 1 A 66 66 GLY HA2 H 66 3.955 3.913 0.042 1
1 798 . 6 1 1 A 66 66 GLY HA3 H 66 3.888 3.914 -0.026 1
1 799 . 6 1 1 A 66 66 GLY C C 66 173.809 174.647 -0.838 1
1 800 . 6 1 1 A 67 67 ILE N N 67 121.784 121.346 0.438 1
1 801 . 6 1 1 A 67 67 ILE H H 67 7.825 8.084 -0.259 1
1 802 . 6 1 1 A 67 67 ILE CA C 67 58.397 58.157 0.240 1
1 803 . 6 1 1 A 67 67 ILE HA H 67 4.457 4.358 0.099 1
1 804 . 6 1 1 A 67 67 ILE CB C 67 38.622 38.531 0.091 1
1 817 . 6 1 1 A 67 67 ILE C C 67 174.638 174.762 -0.124 1
1 818 . 6 1 1 A 68 68 PRO CA C 68 63.157 62.675 0.482 1
1 819 . 6 1 1 A 68 68 PRO HA H 68 4.499 4.801 -0.302 1
1 820 . 6 1 1 A 68 68 PRO CB C 68 31.946 31.862 0.084 1
1 829 . 6 1 1 A 68 68 PRO C C 68 176.866 176.373 0.493 1
1 830 . 6 1 1 A 69 69 VAL N N 69 120.953 124.412 -3.459 1
1 831 . 6 1 1 A 69 69 VAL H H 69 8.269 8.606 -0.337 1
1 832 . 6 1 1 A 69 69 VAL CA C 69 62.460 61.807 0.653 1
1 833 . 6 1 1 A 69 69 VAL HA H 69 4.112 4.465 -0.353 1
1 834 . 6 1 1 A 69 69 VAL CB C 69 32.882 32.946 -0.064 1
1 844 . 6 1 1 A 69 69 VAL C C 69 176.217 175.422 0.795 1
1 845 . 6 1 1 A 70 70 SER N N 70 118.672 120.480 -1.808 1
1 846 . 6 1 1 A 70 70 SER H H 70 8.321 8.853 -0.532 1
1 847 . 6 1 1 A 70 70 SER CA C 70 58.127 56.583 1.544 1
1 848 . 6 1 1 A 70 70 SER HA H 70 4.536 5.587 -1.051 1
1 849 . 6 1 1 A 70 70 SER CB C 70 64.051 65.236 -1.185 1
1 852 . 6 1 1 A 70 70 SER C C 70 174.419 173.369 1.050 1
1 853 . 6 1 1 A 72 72 PRO CA C 72 63.221 62.203 1.018 1
1 854 . 6 1 1 A 72 72 PRO HA H 72 4.480 4.655 -0.175 1
1 855 . 6 1 1 A 72 72 PRO CB C 72 32.287 29.697 2.590 1
1 864 . 6 1 1 A 73 73 SER N N 73 116.355 121.198 -4.843 1
1 865 . 6 1 1 A 73 73 SER H H 73 8.521 8.434 0.087 1
1 866 . 6 1 1 A 73 73 SER CA C 73 58.407 60.931 -2.524 1
1 867 . 6 1 1 A 73 73 SER HA H 73 4.580 4.399 0.181 1
1 868 . 6 1 1 A 73 73 SER CB C 73 63.942 63.936 0.006 1
1 1 . 7 1 1 A 9 9 GLN CA C 9 56.082 55.484 0.598 1
1 2 . 7 1 1 A 9 9 GLN HA H 9 4.326 4.343 -0.017 1
1 3 . 7 1 1 A 9 9 GLN CB C 9 29.035 28.124 0.911 1
1 9 . 7 1 1 A 9 9 GLN C C 9 176.519 175.331 1.188 1
1 10 . 7 1 1 A 10 10 LEU N N 10 124.239 121.561 2.678 1
1 11 . 7 1 1 A 10 10 LEU H H 10 8.287 7.483 0.804 1
1 12 . 7 1 1 A 10 10 LEU CA C 10 55.553 53.867 1.686 1
1 13 . 7 1 1 A 10 10 LEU HA H 10 4.390 4.763 -0.373 1
1 14 . 7 1 1 A 10 10 LEU CB C 10 42.168 42.748 -0.580 1
1 27 . 7 1 1 A 10 10 LEU C C 10 177.357 177.126 0.231 1
1 28 . 7 1 1 A 11 11 TRP N N 11 124.940 121.307 3.633 1
1 29 . 7 1 1 A 11 11 TRP H H 11 8.879 8.704 0.175 1
1 30 . 7 1 1 A 11 11 TRP CA C 11 56.849 58.201 -1.352 1
1 31 . 7 1 1 A 11 11 TRP HA H 11 4.668 4.708 -0.040 1
1 32 . 7 1 1 A 11 11 TRP CB C 11 28.603 30.346 -1.743 1
1 47 . 7 1 1 A 11 11 TRP C C 11 177.416 176.188 1.228 1
1 48 . 7 1 1 A 12 12 THR N N 12 115.857 115.718 0.139 1
1 49 . 7 1 1 A 12 12 THR H H 12 8.760 8.249 0.511 1
1 50 . 7 1 1 A 12 12 THR CA C 12 60.885 59.569 1.316 1
1 51 . 7 1 1 A 12 12 THR HA H 12 4.509 4.828 -0.319 1
1 52 . 7 1 1 A 12 12 THR CB C 12 71.142 70.804 0.338 1
1 58 . 7 1 1 A 12 12 THR C C 12 175.828 175.288 0.540 1
1 59 . 7 1 1 A 13 13 VAL N N 13 121.033 127.160 -6.127 1
1 60 . 7 1 1 A 13 13 VAL H H 13 8.782 8.712 0.070 1
1 61 . 7 1 1 A 13 13 VAL CA C 13 66.558 65.543 1.015 1
1 62 . 7 1 1 A 13 13 VAL HA H 13 3.784 3.837 -0.053 1
1 63 . 7 1 1 A 13 13 VAL CB C 13 31.659 31.919 -0.260 1
1 73 . 7 1 1 A 13 13 VAL C C 13 178.595 177.703 0.892 1
1 74 . 7 1 1 A 14 14 GLU N N 14 119.290 121.418 -2.128 1
1 75 . 7 1 1 A 14 14 GLU H H 14 8.586 8.523 0.063 1
1 76 . 7 1 1 A 14 14 GLU CA C 14 60.285 60.051 0.234 1
1 77 . 7 1 1 A 14 14 GLU HA H 14 4.024 3.985 0.039 1
1 78 . 7 1 1 A 14 14 GLU CB C 14 29.039 29.341 -0.302 1
1 84 . 7 1 1 A 14 14 GLU C C 14 179.736 179.387 0.349 1
1 85 . 7 1 1 A 15 15 GLU N N 15 121.533 119.896 1.637 1
1 86 . 7 1 1 A 15 15 GLU H H 15 7.934 8.270 -0.336 1
1 87 . 7 1 1 A 15 15 GLU CA C 15 59.834 59.275 0.559 1
1 88 . 7 1 1 A 15 15 GLU HA H 15 3.990 4.205 -0.215 1
1 89 . 7 1 1 A 15 15 GLU CB C 15 31.315 29.583 1.732 1
1 95 . 7 1 1 A 15 15 GLU C C 15 178.886 179.599 -0.713 1
1 96 . 7 1 1 A 16 16 GLN N N 16 119.475 119.850 -0.375 1
1 97 . 7 1 1 A 16 16 GLN H H 16 8.595 8.670 -0.075 1
1 98 . 7 1 1 A 16 16 GLN CA C 16 59.369 59.403 -0.034 1
1 99 . 7 1 1 A 16 16 GLN HA H 16 4.104 4.121 -0.017 1
1 100 . 7 1 1 A 16 16 GLN CB C 16 28.376 28.420 -0.044 1
1 109 . 7 1 1 A 16 16 GLN C C 16 178.548 178.381 0.167 1
1 110 . 7 1 1 A 17 17 LYS N N 17 119.404 118.777 0.627 1
1 111 . 7 1 1 A 17 17 LYS H H 17 8.241 8.076 0.165 1
1 112 . 7 1 1 A 17 17 LYS CA C 17 59.175 59.484 -0.309 1
1 113 . 7 1 1 A 17 17 LYS HA H 17 4.103 4.129 -0.026 1
1 114 . 7 1 1 A 17 17 LYS CB C 17 31.980 32.448 -0.468 1
1 126 . 7 1 1 A 17 17 LYS C C 17 179.663 178.681 0.982 1
1 127 . 7 1 1 A 18 18 LYS N N 18 120.546 119.676 0.870 1
1 128 . 7 1 1 A 18 18 LYS H H 18 7.852 7.959 -0.107 1
1 129 . 7 1 1 A 18 18 LYS CA C 18 59.432 59.630 -0.198 1
1 130 . 7 1 1 A 18 18 LYS HA H 18 4.157 4.110 0.047 1
1 131 . 7 1 1 A 18 18 LYS CB C 18 32.166 32.554 -0.388 1
1 143 . 7 1 1 A 18 18 LYS C C 18 179.003 178.543 0.460 1
1 144 . 7 1 1 A 19 19 LEU N N 19 120.782 120.251 0.531 1
1 145 . 7 1 1 A 19 19 LEU H H 19 8.639 8.764 -0.125 1
1 146 . 7 1 1 A 19 19 LEU CA C 19 58.729 58.738 -0.009 1
1 147 . 7 1 1 A 19 19 LEU HA H 19 4.042 4.101 -0.059 1
1 148 . 7 1 1 A 19 19 LEU CB C 19 41.465 41.615 -0.150 1
1 161 . 7 1 1 A 19 19 LEU C C 19 177.410 178.407 -0.997 1
1 162 . 7 1 1 A 20 20 GLU N N 20 116.982 118.067 -1.085 1
1 163 . 7 1 1 A 20 20 GLU H H 20 7.981 8.528 -0.547 1
1 164 . 7 1 1 A 20 20 GLU CA C 20 60.285 59.817 0.468 1
1 165 . 7 1 1 A 20 20 GLU HA H 20 3.647 4.077 -0.430 1
1 166 . 7 1 1 A 20 20 GLU CB C 20 29.612 29.222 0.390 1
1 172 . 7 1 1 A 20 20 GLU C C 20 179.066 179.283 -0.217 1
1 173 . 7 1 1 A 21 21 GLN N N 21 115.877 118.861 -2.984 1
1 174 . 7 1 1 A 21 21 GLN H H 21 7.518 8.176 -0.658 1
1 175 . 7 1 1 A 21 21 GLN CA C 21 58.409 59.148 -0.739 1
1 176 . 7 1 1 A 21 21 GLN HA H 21 4.112 4.038 0.074 1
1 177 . 7 1 1 A 21 21 GLN CB C 21 28.405 28.590 -0.185 1
1 186 . 7 1 1 A 21 21 GLN C C 21 180.271 178.830 1.441 1
1 187 . 7 1 1 A 22 22 LEU N N 22 123.461 120.846 2.615 1
1 188 . 7 1 1 A 22 22 LEU H H 22 8.775 8.644 0.131 1
1 189 . 7 1 1 A 22 22 LEU CA C 22 57.782 58.148 -0.366 1
1 190 . 7 1 1 A 22 22 LEU HA H 22 4.243 4.110 0.133 1
1 191 . 7 1 1 A 22 22 LEU CB C 22 42.687 41.693 0.994 1
1 204 . 7 1 1 A 22 22 LEU C C 22 178.112 179.508 -1.396 1
1 205 . 7 1 1 A 23 23 LEU N N 23 119.576 119.026 0.550 1
1 206 . 7 1 1 A 23 23 LEU H H 23 8.260 8.631 -0.371 1
1 207 . 7 1 1 A 23 23 LEU CA C 23 57.281 58.380 -1.099 1
1 208 . 7 1 1 A 23 23 LEU HA H 23 4.174 4.083 0.091 1
1 209 . 7 1 1 A 23 23 LEU CB C 23 42.175 42.007 0.168 1
1 222 . 7 1 1 A 23 23 LEU C C 23 177.927 179.125 -1.198 1
1 223 . 7 1 1 A 24 24 ILE N N 24 116.614 119.452 -2.838 1
1 224 . 7 1 1 A 24 24 ILE H H 24 6.949 8.123 -1.174 1
1 225 . 7 1 1 A 24 24 ILE CA C 24 62.755 64.730 -1.975 1
1 226 . 7 1 1 A 24 24 ILE HA H 24 3.787 3.689 0.098 1
1 227 . 7 1 1 A 24 24 ILE CB C 24 38.208 37.399 0.809 1
1 240 . 7 1 1 A 24 24 ILE C C 24 177.066 178.285 -1.219 1
1 241 . 7 1 1 A 25 25 LYS N N 25 121.060 121.976 -0.916 1
1 242 . 7 1 1 A 25 25 LYS H H 25 7.421 8.102 -0.681 1
1 243 . 7 1 1 A 25 25 LYS CA C 25 59.281 58.913 0.368 1
1 244 . 7 1 1 A 25 25 LYS HA H 25 3.726 4.008 -0.282 1
1 245 . 7 1 1 A 25 25 LYS CB C 25 34.011 32.399 1.612 1
1 257 . 7 1 1 A 25 25 LYS C C 25 175.900 176.226 -0.326 1
1 258 . 7 1 1 A 26 26 TYR N N 26 117.015 116.702 0.313 1
1 259 . 7 1 1 A 26 26 TYR H H 26 8.124 8.572 -0.448 1
1 260 . 7 1 1 A 26 26 TYR CA C 26 54.995 55.180 -0.185 1
1 261 . 7 1 1 A 26 26 TYR HA H 26 4.988 4.988 0.000 1
1 262 . 7 1 1 A 26 26 TYR CB C 26 37.055 38.457 -1.402 1
1 273 . 7 1 1 A 27 27 PRO CA C 27 62.102 61.665 0.437 1
1 274 . 7 1 1 A 27 27 PRO HA H 27 4.833 4.702 0.131 1
1 275 . 7 1 1 A 27 27 PRO CB C 27 30.960 31.787 -0.827 1
1 284 . 7 1 1 A 28 28 PRO CA C 28 64.218 62.596 1.622 1
1 285 . 7 1 1 A 28 28 PRO HA H 28 4.127 4.525 -0.398 1
1 286 . 7 1 1 A 28 28 PRO CB C 28 31.726 33.080 -1.354 1
1 295 . 7 1 1 A 28 28 PRO C C 28 175.552 175.938 -0.386 1
1 296 . 7 1 1 A 29 29 GLU N N 29 120.378 117.612 2.766 1
1 297 . 7 1 1 A 29 29 GLU H H 29 8.473 8.383 0.090 1
1 298 . 7 1 1 A 29 29 GLU CA C 29 54.425 55.338 -0.913 1
1 299 . 7 1 1 A 29 29 GLU HA H 29 4.734 4.799 -0.065 1
1 300 . 7 1 1 A 29 29 GLU CB C 29 33.430 30.621 2.809 1
1 306 . 7 1 1 A 29 29 GLU C C 29 175.244 176.480 -1.236 1
1 307 . 7 1 1 A 30 30 GLU N N 30 120.351 119.197 1.154 1
1 308 . 7 1 1 A 30 30 GLU H H 30 8.502 8.755 -0.253 1
1 309 . 7 1 1 A 30 30 GLU CA C 30 60.066 59.434 0.632 1
1 310 . 7 1 1 A 30 30 GLU HA H 30 3.898 4.062 -0.164 1
1 311 . 7 1 1 A 30 30 GLU CB C 30 30.038 29.559 0.479 1
1 317 . 7 1 1 A 30 30 GLU C C 30 177.211 176.129 1.082 1
1 318 . 7 1 1 A 31 31 VAL N N 31 119.224 117.359 1.865 1
1 319 . 7 1 1 A 31 31 VAL H H 31 8.363 7.913 0.450 1
1 320 . 7 1 1 A 31 31 VAL CA C 31 61.327 62.205 -0.878 1
1 321 . 7 1 1 A 31 31 VAL HA H 31 4.154 4.171 -0.017 1
1 322 . 7 1 1 A 31 31 VAL CB C 31 30.937 32.609 -1.672 1
1 332 . 7 1 1 A 31 31 VAL C C 31 176.298 175.801 0.497 1
1 333 . 7 1 1 A 32 32 GLU N N 32 128.219 127.210 1.009 1
1 334 . 7 1 1 A 32 32 GLU H H 32 8.453 8.986 -0.533 1
1 335 . 7 1 1 A 32 32 GLU CA C 32 59.610 57.001 2.609 1
1 336 . 7 1 1 A 32 32 GLU HA H 32 3.729 4.133 -0.404 1
1 337 . 7 1 1 A 32 32 GLU CB C 32 29.649 29.828 -0.179 1
1 342 . 7 1 1 A 32 32 GLU C C 32 177.405 177.194 0.211 1
1 343 . 7 1 1 A 33 33 SER N N 33 111.772 114.897 -3.125 1
1 344 . 7 1 1 A 33 33 SER H H 33 8.368 7.740 0.628 1
1 345 . 7 1 1 A 33 33 SER CA C 33 61.378 60.577 0.801 1
1 346 . 7 1 1 A 33 33 SER HA H 33 4.087 4.550 -0.463 1
1 347 . 7 1 1 A 33 33 SER CB C 33 61.842 63.445 -1.603 1
1 350 . 7 1 1 A 33 33 SER C C 33 177.086 176.243 0.843 1
1 351 . 7 1 1 A 34 34 ARG N N 34 121.109 121.140 -0.031 1
1 352 . 7 1 1 A 34 34 ARG H H 34 7.445 7.454 -0.009 1
1 353 . 7 1 1 A 34 34 ARG CA C 34 58.682 58.480 0.202 1
1 354 . 7 1 1 A 34 34 ARG HA H 34 4.067 4.110 -0.043 1
1 355 . 7 1 1 A 34 34 ARG CB C 34 30.095 29.789 0.306 1
1 364 . 7 1 1 A 34 34 ARG C C 34 178.697 178.844 -0.147 1
1 365 . 7 1 1 A 35 35 ARG N N 35 122.297 119.446 2.851 1
1 366 . 7 1 1 A 35 35 ARG H H 35 6.826 7.466 -0.640 1
1 367 . 7 1 1 A 35 35 ARG CA C 35 59.479 58.578 0.901 1
1 368 . 7 1 1 A 35 35 ARG HA H 35 3.718 3.852 -0.134 1
1 369 . 7 1 1 A 35 35 ARG CB C 35 30.578 29.420 1.158 1
1 380 . 7 1 1 A 35 35 ARG C C 35 178.318 178.841 -0.523 1
1 381 . 7 1 1 A 36 36 TRP N N 36 115.557 120.288 -4.731 1
1 382 . 7 1 1 A 36 36 TRP H H 36 7.702 7.610 0.092 1
1 383 . 7 1 1 A 36 36 TRP CA C 36 58.127 60.017 -1.890 1
1 384 . 7 1 1 A 36 36 TRP HA H 36 4.929 4.299 0.630 1
1 385 . 7 1 1 A 36 36 TRP CB C 36 30.618 29.039 1.579 1
1 400 . 7 1 1 A 36 36 TRP C C 36 178.742 178.697 0.045 1
1 401 . 7 1 1 A 37 37 GLN N N 37 117.116 119.316 -2.200 1
1 402 . 7 1 1 A 37 37 GLN H H 37 7.923 7.633 0.290 1
1 403 . 7 1 1 A 37 37 GLN CA C 37 58.501 59.060 -0.559 1
1 404 . 7 1 1 A 37 37 GLN HA H 37 3.950 4.042 -0.092 1
1 405 . 7 1 1 A 37 37 GLN CB C 37 28.719 28.149 0.570 1
1 414 . 7 1 1 A 37 37 GLN C C 37 177.079 178.533 -1.454 1
1 415 . 7 1 1 A 38 38 LYS N N 38 119.256 118.496 0.760 1
1 416 . 7 1 1 A 38 38 LYS H H 38 7.543 7.147 0.396 1
1 417 . 7 1 1 A 38 38 LYS CA C 38 59.855 59.081 0.774 1
1 418 . 7 1 1 A 38 38 LYS HA H 38 3.875 4.019 -0.144 1
1 419 . 7 1 1 A 38 38 LYS CB C 38 31.717 32.270 -0.553 1
1 431 . 7 1 1 A 38 38 LYS C C 38 179.773 179.130 0.643 1
1 432 . 7 1 1 A 39 39 ILE N N 39 117.818 119.986 -2.168 1
1 433 . 7 1 1 A 39 39 ILE H H 39 7.614 7.512 0.102 1
1 434 . 7 1 1 A 39 39 ILE CA C 39 66.296 65.086 1.210 1
1 435 . 7 1 1 A 39 39 ILE HA H 39 3.534 3.381 0.153 1
1 436 . 7 1 1 A 39 39 ILE CB C 39 38.526 37.569 0.957 1
1 449 . 7 1 1 A 39 39 ILE C C 39 177.376 177.999 -0.623 1
1 450 . 7 1 1 A 40 40 ALA N N 40 122.394 123.066 -0.672 1
1 451 . 7 1 1 A 40 40 ALA H H 40 8.680 8.484 0.196 1
1 452 . 7 1 1 A 40 40 ALA CA C 40 56.117 55.847 0.270 1
1 453 . 7 1 1 A 40 40 ALA HA H 40 3.732 4.031 -0.299 1
1 454 . 7 1 1 A 40 40 ALA CB C 40 17.581 18.171 -0.590 1
1 458 . 7 1 1 A 40 40 ALA C C 40 180.101 178.644 1.457 1
1 459 . 7 1 1 A 41 41 ASP N N 41 117.487 118.491 -1.004 1
1 460 . 7 1 1 A 41 41 ASP H H 41 8.516 8.145 0.371 1
1 461 . 7 1 1 A 41 41 ASP CA C 41 57.069 57.726 -0.657 1
1 462 . 7 1 1 A 41 41 ASP HA H 41 4.425 4.329 0.096 1
1 463 . 7 1 1 A 41 41 ASP CB C 41 40.176 41.194 -1.018 1
1 466 . 7 1 1 A 41 41 ASP C C 41 178.731 178.545 0.186 1
1 467 . 7 1 1 A 42 42 GLU N N 42 118.631 118.510 0.121 1
1 468 . 7 1 1 A 42 42 GLU H H 42 7.391 8.014 -0.623 1
1 469 . 7 1 1 A 42 42 GLU CA C 42 59.678 59.365 0.313 1
1 470 . 7 1 1 A 42 42 GLU HA H 42 4.246 4.105 0.141 1
1 471 . 7 1 1 A 42 42 GLU CB C 42 29.612 29.495 0.117 1
1 477 . 7 1 1 A 42 42 GLU C C 42 178.559 179.276 -0.717 1
1 478 . 7 1 1 A 43 43 LEU N N 43 120.834 119.118 1.716 1
1 479 . 7 1 1 A 43 43 LEU H H 43 8.247 7.385 0.862 1
1 480 . 7 1 1 A 43 43 LEU CA C 43 57.274 56.986 0.288 1
1 481 . 7 1 1 A 43 43 LEU HA H 43 4.171 3.995 0.176 1
1 482 . 7 1 1 A 43 43 LEU CB C 43 42.237 42.733 -0.496 1
1 495 . 7 1 1 A 43 43 LEU C C 43 179.282 176.931 2.351 1
1 496 . 7 1 1 A 44 44 GLY N N 44 106.089 106.746 -0.657 1
1 497 . 7 1 1 A 44 44 GLY H H 44 8.218 8.005 0.213 1
1 498 . 7 1 1 A 44 44 GLY CA C 44 46.203 45.246 0.957 1
1 499 . 7 1 1 A 44 44 GLY HA2 H 44 3.738 3.983 -0.245 1
1 500 . 7 1 1 A 44 44 GLY HA3 H 44 4.181 3.986 0.195 1
1 501 . 7 1 1 A 44 44 GLY C C 44 174.363 174.506 -0.143 1
1 502 . 7 1 1 A 45 45 ASN N N 45 117.303 119.597 -2.294 1
1 503 . 7 1 1 A 45 45 ASN H H 45 8.060 8.052 0.008 1
1 504 . 7 1 1 A 45 45 ASN CA C 45 52.872 54.926 -2.054 1
1 505 . 7 1 1 A 45 45 ASN HA H 45 4.637 4.593 0.044 1
1 506 . 7 1 1 A 45 45 ASN CB C 45 38.017 39.548 -1.531 1
1 512 . 7 1 1 A 45 45 ASN C C 45 174.403 175.362 -0.959 1
1 513 . 7 1 1 A 46 46 ARG N N 46 115.501 118.807 -3.306 1
1 514 . 7 1 1 A 46 46 ARG H H 46 7.091 7.827 -0.736 1
1 515 . 7 1 1 A 46 46 ARG CA C 46 52.521 55.593 -3.072 1
1 516 . 7 1 1 A 46 46 ARG HA H 46 4.948 4.409 0.539 1
1 517 . 7 1 1 A 46 46 ARG CB C 46 35.298 31.608 3.690 1
1 528 . 7 1 1 A 46 46 ARG C C 46 175.373 175.902 -0.529 1
1 529 . 7 1 1 A 47 47 THR N N 47 110.043 112.032 -1.989 1
1 530 . 7 1 1 A 47 47 THR H H 47 8.411 8.473 -0.062 1
1 531 . 7 1 1 A 47 47 THR CA C 47 59.643 59.288 0.355 1
1 532 . 7 1 1 A 47 47 THR HA H 47 4.602 4.979 -0.377 1
1 533 . 7 1 1 A 47 47 THR CB C 47 71.307 72.058 -0.751 1
1 539 . 7 1 1 A 47 47 THR C C 47 175.891 175.626 0.265 1
1 540 . 7 1 1 A 48 48 ALA N N 48 123.448 125.018 -1.570 1
1 541 . 7 1 1 A 48 48 ALA H H 48 9.205 9.096 0.109 1
1 542 . 7 1 1 A 48 48 ALA CA C 48 55.820 55.692 0.128 1
1 543 . 7 1 1 A 48 48 ALA HA H 48 3.869 4.116 -0.247 1
1 544 . 7 1 1 A 48 48 ALA CB C 48 17.997 18.422 -0.425 1
1 548 . 7 1 1 A 48 48 ALA C C 48 179.731 179.614 0.117 1
1 549 . 7 1 1 A 49 49 LYS N N 49 117.235 117.410 -0.175 1
1 550 . 7 1 1 A 49 49 LYS H H 49 8.127 8.271 -0.144 1
1 551 . 7 1 1 A 49 49 LYS CA C 49 59.436 59.458 -0.022 1
1 552 . 7 1 1 A 49 49 LYS HA H 49 4.008 3.840 0.168 1
1 553 . 7 1 1 A 49 49 LYS CB C 49 32.661 32.228 0.433 1
1 565 . 7 1 1 A 49 49 LYS C C 49 179.567 178.856 0.711 1
1 566 . 7 1 1 A 50 50 GLN N N 50 119.324 118.335 0.989 1
1 567 . 7 1 1 A 50 50 GLN H H 50 7.753 7.774 -0.021 1
1 568 . 7 1 1 A 50 50 GLN CA C 50 58.938 58.882 0.056 1
1 569 . 7 1 1 A 50 50 GLN HA H 50 4.191 4.055 0.136 1
1 570 . 7 1 1 A 50 50 GLN CB C 50 29.389 28.227 1.162 1
1 579 . 7 1 1 A 50 50 GLN C C 50 180.097 178.367 1.730 1
1 580 . 7 1 1 A 51 51 VAL N N 51 120.881 121.400 -0.519 1
1 581 . 7 1 1 A 51 51 VAL H H 51 8.397 7.812 0.585 1
1 582 . 7 1 1 A 51 51 VAL CA C 51 67.510 66.001 1.509 1
1 583 . 7 1 1 A 51 51 VAL HA H 51 3.491 3.747 -0.256 1
1 584 . 7 1 1 A 51 51 VAL CB C 51 31.871 31.518 0.353 1
1 594 . 7 1 1 A 51 51 VAL C C 51 176.150 177.386 -1.236 1
1 595 . 7 1 1 A 52 52 ALA N N 52 120.695 122.324 -1.629 1
1 596 . 7 1 1 A 52 52 ALA H H 52 8.057 8.319 -0.262 1
1 597 . 7 1 1 A 52 52 ALA CA C 52 55.307 54.786 0.521 1
1 598 . 7 1 1 A 52 52 ALA HA H 52 2.379 2.566 -0.187 1
1 599 . 7 1 1 A 52 52 ALA CB C 52 17.410 17.630 -0.220 1
1 603 . 7 1 1 A 52 52 ALA C C 52 180.088 178.894 1.194 1
1 604 . 7 1 1 A 53 53 SER N N 53 110.953 112.923 -1.970 1
1 605 . 7 1 1 A 53 53 SER H H 53 7.653 7.924 -0.271 1
1 606 . 7 1 1 A 53 53 SER CA C 53 61.291 60.892 0.399 1
1 607 . 7 1 1 A 53 53 SER HA H 53 4.049 3.930 0.119 1
1 608 . 7 1 1 A 53 53 SER CB C 53 63.032 63.052 -0.020 1
1 610 . 7 1 1 A 53 53 SER C C 53 180.076 177.182 2.894 1
1 611 . 7 1 1 A 54 54 GLN N N 54 123.306 120.365 2.941 1
1 612 . 7 1 1 A 54 54 GLN H H 54 7.615 7.669 -0.054 1
1 613 . 7 1 1 A 54 54 GLN CA C 54 57.843 58.047 -0.204 1
1 614 . 7 1 1 A 54 54 GLN HA H 54 3.844 3.756 0.088 1
1 615 . 7 1 1 A 54 54 GLN CB C 54 27.422 28.252 -0.830 1
1 624 . 7 1 1 A 55 55 VAL N N 55 119.150 119.230 -0.080 1
1 625 . 7 1 1 A 55 55 VAL H H 55 8.266 7.555 0.711 1
1 626 . 7 1 1 A 55 55 VAL CA C 55 66.491 66.223 0.268 1
1 627 . 7 1 1 A 55 55 VAL HA H 55 3.417 3.501 -0.084 1
1 628 . 7 1 1 A 55 55 VAL CB C 55 31.306 31.387 -0.081 1
1 638 . 7 1 1 A 55 55 VAL C C 55 177.640 178.021 -0.381 1
1 639 . 7 1 1 A 56 56 GLN N N 56 116.992 119.045 -2.053 1
1 640 . 7 1 1 A 56 56 GLN H H 56 7.578 7.783 -0.205 1
1 641 . 7 1 1 A 56 56 GLN CA C 56 58.616 59.269 -0.653 1
1 642 . 7 1 1 A 56 56 GLN HA H 56 3.964 3.942 0.022 1
1 643 . 7 1 1 A 56 56 GLN CB C 56 28.115 28.237 -0.122 1
1 652 . 7 1 1 A 56 56 GLN C C 56 177.976 178.251 -0.275 1
1 653 . 7 1 1 A 57 57 LYS N N 57 117.073 117.320 -0.247 1
1 654 . 7 1 1 A 57 57 LYS H H 57 7.378 8.048 -0.670 1
1 655 . 7 1 1 A 57 57 LYS CA C 57 58.958 57.438 1.520 1
1 656 . 7 1 1 A 57 57 LYS HA H 57 3.897 4.278 -0.381 1
1 657 . 7 1 1 A 57 57 LYS CB C 57 32.837 32.267 0.570 1
1 669 . 7 1 1 A 57 57 LYS C C 57 178.237 176.908 1.329 1
1 670 . 7 1 1 A 58 58 TYR N N 58 117.398 117.917 -0.519 1
1 671 . 7 1 1 A 58 58 TYR H H 58 7.722 8.075 -0.353 1
1 672 . 7 1 1 A 58 58 TYR CA C 58 59.231 59.291 -0.060 1
1 673 . 7 1 1 A 58 58 TYR HA H 58 4.422 4.605 -0.183 1
1 674 . 7 1 1 A 58 58 TYR CB C 58 38.850 40.047 -1.197 1
1 685 . 7 1 1 A 58 58 TYR C C 58 176.329 176.676 -0.347 1
1 686 . 7 1 1 A 59 59 PHE N N 59 118.720 116.255 2.465 1
1 687 . 7 1 1 A 59 59 PHE H H 59 8.197 8.133 0.064 1
1 688 . 7 1 1 A 59 59 PHE CA C 59 59.396 59.351 0.045 1
1 689 . 7 1 1 A 59 59 PHE HA H 59 4.487 4.583 -0.096 1
1 690 . 7 1 1 A 59 59 PHE CB C 59 39.309 40.281 -0.972 1
1 703 . 7 1 1 A 59 59 PHE C C 59 177.355 177.675 -0.320 1
1 704 . 7 1 1 A 60 60 ILE N N 60 120.989 119.987 1.002 1
1 705 . 7 1 1 A 60 60 ILE H H 60 7.940 8.157 -0.217 1
1 706 . 7 1 1 A 60 60 ILE CA C 60 63.239 64.886 -1.647 1
1 707 . 7 1 1 A 60 60 ILE HA H 60 3.937 3.710 0.227 1
1 708 . 7 1 1 A 60 60 ILE CB C 60 38.017 37.368 0.649 1
1 721 . 7 1 1 A 60 60 ILE C C 60 177.197 177.986 -0.789 1
1 722 . 7 1 1 A 61 61 LYS N N 61 122.558 120.575 1.983 1
1 723 . 7 1 1 A 61 61 LYS H H 61 8.056 7.856 0.200 1
1 724 . 7 1 1 A 61 61 LYS CA C 61 57.840 59.883 -2.043 1
1 725 . 7 1 1 A 61 61 LYS HA H 61 4.158 3.977 0.181 1
1 726 . 7 1 1 A 61 61 LYS CB C 61 32.480 32.309 0.171 1
1 738 . 7 1 1 A 61 61 LYS C C 61 177.737 178.443 -0.706 1
1 739 . 7 1 1 A 62 62 LEU N N 62 120.763 119.058 1.705 1
1 740 . 7 1 1 A 62 62 LEU H H 62 8.145 7.989 0.156 1
1 741 . 7 1 1 A 62 62 LEU CA C 62 55.989 58.273 -2.284 1
1 742 . 7 1 1 A 62 62 LEU HA H 62 4.302 3.881 0.421 1
1 743 . 7 1 1 A 62 62 LEU CB C 62 42.379 41.825 0.554 1
1 756 . 7 1 1 A 62 62 LEU C C 62 178.178 177.712 0.466 1
1 757 . 7 1 1 A 63 63 THR N N 63 113.377 112.622 0.755 1
1 758 . 7 1 1 A 63 63 THR H H 63 8.043 7.574 0.469 1
1 759 . 7 1 1 A 63 63 THR CA C 63 63.007 62.462 0.545 1
1 760 . 7 1 1 A 63 63 THR HA H 63 4.285 4.249 0.036 1
1 761 . 7 1 1 A 63 63 THR CB C 63 70.153 69.149 1.004 1
1 767 . 7 1 1 A 63 63 THR C C 63 175.775 174.122 1.653 1
1 768 . 7 1 1 A 64 64 LYS N N 64 122.961 125.947 -2.986 1
1 769 . 7 1 1 A 64 64 LYS H H 64 8.333 8.864 -0.531 1
1 770 . 7 1 1 A 64 64 LYS CA C 64 57.298 57.661 -0.363 1
1 771 . 7 1 1 A 64 64 LYS HA H 64 4.218 4.442 -0.224 1
1 772 . 7 1 1 A 64 64 LYS CB C 64 32.578 34.054 -1.476 1
1 784 . 7 1 1 A 64 64 LYS C C 64 176.684 178.317 -1.633 1
1 785 . 7 1 1 A 65 65 ALA N N 65 123.107 122.057 1.050 1
1 786 . 7 1 1 A 65 65 ALA H H 65 8.024 8.435 -0.411 1
1 787 . 7 1 1 A 65 65 ALA CA C 65 52.597 55.136 -2.539 1
1 788 . 7 1 1 A 65 65 ALA HA H 65 4.323 4.068 0.255 1
1 789 . 7 1 1 A 65 65 ALA CB C 65 19.229 18.405 0.824 1
1 793 . 7 1 1 A 65 65 ALA C C 65 178.017 179.763 -1.746 1
1 794 . 7 1 1 A 66 66 GLY N N 66 107.464 105.250 2.214 1
1 795 . 7 1 1 A 66 66 GLY H H 66 8.165 7.770 0.395 1
1 796 . 7 1 1 A 66 66 GLY CA C 66 45.223 46.538 -1.315 1
1 797 . 7 1 1 A 66 66 GLY HA2 H 66 3.955 3.869 0.086 1
1 798 . 7 1 1 A 66 66 GLY HA3 H 66 3.888 3.871 0.017 1
1 799 . 7 1 1 A 66 66 GLY C C 66 173.809 173.718 0.091 1
1 800 . 7 1 1 A 67 67 ILE N N 67 121.784 120.351 1.433 1
1 801 . 7 1 1 A 67 67 ILE H H 67 7.825 7.577 0.248 1
1 802 . 7 1 1 A 67 67 ILE CA C 67 58.397 57.559 0.838 1
1 803 . 7 1 1 A 67 67 ILE HA H 67 4.457 4.554 -0.097 1
1 804 . 7 1 1 A 67 67 ILE CB C 67 38.622 41.353 -2.731 1
1 817 . 7 1 1 A 67 67 ILE C C 67 174.638 173.941 0.697 1
1 818 . 7 1 1 A 68 68 PRO CA C 68 63.157 62.467 0.690 1
1 819 . 7 1 1 A 68 68 PRO HA H 68 4.499 4.680 -0.181 1
1 820 . 7 1 1 A 68 68 PRO CB C 68 31.946 32.830 -0.884 1
1 829 . 7 1 1 A 68 68 PRO C C 68 176.866 175.034 1.832 1
1 830 . 7 1 1 A 69 69 VAL N N 69 120.953 121.957 -1.004 1
1 831 . 7 1 1 A 69 69 VAL H H 69 8.269 8.409 -0.140 1
1 832 . 7 1 1 A 69 69 VAL CA C 69 62.460 59.216 3.244 1
1 833 . 7 1 1 A 69 69 VAL HA H 69 4.112 4.893 -0.781 1
1 834 . 7 1 1 A 69 69 VAL CB C 69 32.882 34.708 -1.826 1
1 844 . 7 1 1 A 69 69 VAL C C 69 176.217 174.163 2.054 1
1 845 . 7 1 1 A 70 70 SER N N 70 118.672 122.611 -3.939 1
1 846 . 7 1 1 A 70 70 SER H H 70 8.321 8.851 -0.530 1
1 847 . 7 1 1 A 70 70 SER CA C 70 58.127 56.407 1.720 1
1 848 . 7 1 1 A 70 70 SER HA H 70 4.536 5.062 -0.526 1
1 849 . 7 1 1 A 70 70 SER CB C 70 64.051 66.491 -2.440 1
1 852 . 7 1 1 A 70 70 SER C C 70 174.419 172.862 1.557 1
1 853 . 7 1 1 A 72 72 PRO CA C 72 63.221 62.241 0.980 1
1 854 . 7 1 1 A 72 72 PRO HA H 72 4.480 4.640 -0.160 1
1 855 . 7 1 1 A 72 72 PRO CB C 72 32.287 29.897 2.390 1
1 864 . 7 1 1 A 73 73 SER N N 73 116.355 121.265 -4.910 1
1 865 . 7 1 1 A 73 73 SER H H 73 8.521 8.181 0.340 1
1 866 . 7 1 1 A 73 73 SER CA C 73 58.407 61.286 -2.879 1
1 867 . 7 1 1 A 73 73 SER HA H 73 4.580 4.223 0.357 1
1 868 . 7 1 1 A 73 73 SER CB C 73 63.942 63.233 0.709 1
1 1 . 8 1 1 A 9 9 GLN CA C 9 56.082 56.590 -0.508 1
1 2 . 8 1 1 A 9 9 GLN HA H 9 4.326 4.297 0.029 1
1 3 . 8 1 1 A 9 9 GLN CB C 9 29.035 29.066 -0.031 1
1 9 . 8 1 1 A 9 9 GLN C C 9 176.519 176.126 0.393 1
1 10 . 8 1 1 A 10 10 LEU N N 10 124.239 120.587 3.652 1
1 11 . 8 1 1 A 10 10 LEU H H 10 8.287 7.476 0.811 1
1 12 . 8 1 1 A 10 10 LEU CA C 10 55.553 53.856 1.697 1
1 13 . 8 1 1 A 10 10 LEU HA H 10 4.390 4.562 -0.172 1
1 14 . 8 1 1 A 10 10 LEU CB C 10 42.168 42.809 -0.641 1
1 27 . 8 1 1 A 10 10 LEU C C 10 177.357 176.710 0.647 1
1 28 . 8 1 1 A 11 11 TRP N N 11 124.940 121.370 3.570 1
1 29 . 8 1 1 A 11 11 TRP H H 11 8.879 8.756 0.123 1
1 30 . 8 1 1 A 11 11 TRP CA C 11 56.849 57.603 -0.754 1
1 31 . 8 1 1 A 11 11 TRP HA H 11 4.668 4.765 -0.097 1
1 32 . 8 1 1 A 11 11 TRP CB C 11 28.603 30.124 -1.521 1
1 47 . 8 1 1 A 11 11 TRP C C 11 177.416 176.270 1.146 1
1 48 . 8 1 1 A 12 12 THR N N 12 115.857 117.603 -1.746 1
1 49 . 8 1 1 A 12 12 THR H H 12 8.760 8.658 0.102 1
1 50 . 8 1 1 A 12 12 THR CA C 12 60.885 60.282 0.603 1
1 51 . 8 1 1 A 12 12 THR HA H 12 4.509 4.735 -0.226 1
1 52 . 8 1 1 A 12 12 THR CB C 12 71.142 70.675 0.467 1
1 58 . 8 1 1 A 12 12 THR C C 12 175.828 175.237 0.591 1
1 59 . 8 1 1 A 13 13 VAL N N 13 121.033 126.775 -5.742 1
1 60 . 8 1 1 A 13 13 VAL H H 13 8.782 8.734 0.048 1
1 61 . 8 1 1 A 13 13 VAL CA C 13 66.558 65.412 1.146 1
1 62 . 8 1 1 A 13 13 VAL HA H 13 3.784 3.870 -0.086 1
1 63 . 8 1 1 A 13 13 VAL CB C 13 31.659 31.797 -0.138 1
1 73 . 8 1 1 A 13 13 VAL C C 13 178.595 177.792 0.803 1
1 74 . 8 1 1 A 14 14 GLU N N 14 119.290 121.098 -1.808 1
1 75 . 8 1 1 A 14 14 GLU H H 14 8.586 8.538 0.048 1
1 76 . 8 1 1 A 14 14 GLU CA C 14 60.285 59.945 0.340 1
1 77 . 8 1 1 A 14 14 GLU HA H 14 4.024 3.988 0.036 1
1 78 . 8 1 1 A 14 14 GLU CB C 14 29.039 29.234 -0.195 1
1 84 . 8 1 1 A 14 14 GLU C C 14 179.736 179.395 0.341 1
1 85 . 8 1 1 A 15 15 GLU N N 15 121.533 120.144 1.389 1
1 86 . 8 1 1 A 15 15 GLU H H 15 7.934 7.843 0.091 1
1 87 . 8 1 1 A 15 15 GLU CA C 15 59.834 59.356 0.478 1
1 88 . 8 1 1 A 15 15 GLU HA H 15 3.990 4.195 -0.205 1
1 89 . 8 1 1 A 15 15 GLU CB C 15 31.315 29.567 1.748 1
1 95 . 8 1 1 A 15 15 GLU C C 15 178.886 179.359 -0.473 1
1 96 . 8 1 1 A 16 16 GLN N N 16 119.475 119.646 -0.171 1
1 97 . 8 1 1 A 16 16 GLN H H 16 8.595 8.802 -0.207 1
1 98 . 8 1 1 A 16 16 GLN CA C 16 59.369 59.681 -0.312 1
1 99 . 8 1 1 A 16 16 GLN HA H 16 4.104 4.167 -0.063 1
1 100 . 8 1 1 A 16 16 GLN CB C 16 28.376 28.590 -0.214 1
1 109 . 8 1 1 A 16 16 GLN C C 16 178.548 178.393 0.155 1
1 110 . 8 1 1 A 17 17 LYS N N 17 119.404 118.724 0.680 1
1 111 . 8 1 1 A 17 17 LYS H H 17 8.241 8.148 0.093 1
1 112 . 8 1 1 A 17 17 LYS CA C 17 59.175 59.490 -0.315 1
1 113 . 8 1 1 A 17 17 LYS HA H 17 4.103 4.122 -0.019 1
1 114 . 8 1 1 A 17 17 LYS CB C 17 31.980 32.394 -0.414 1
1 126 . 8 1 1 A 17 17 LYS C C 17 179.663 178.760 0.903 1
1 127 . 8 1 1 A 18 18 LYS N N 18 120.546 119.584 0.962 1
1 128 . 8 1 1 A 18 18 LYS H H 18 7.852 7.633 0.219 1
1 129 . 8 1 1 A 18 18 LYS CA C 18 59.432 59.815 -0.383 1
1 130 . 8 1 1 A 18 18 LYS HA H 18 4.157 4.096 0.061 1
1 131 . 8 1 1 A 18 18 LYS CB C 18 32.166 32.620 -0.454 1
1 143 . 8 1 1 A 18 18 LYS C C 18 179.003 178.478 0.525 1
1 144 . 8 1 1 A 19 19 LEU N N 19 120.782 120.767 0.015 1
1 145 . 8 1 1 A 19 19 LEU H H 19 8.639 8.712 -0.073 1
1 146 . 8 1 1 A 19 19 LEU CA C 19 58.729 58.882 -0.153 1
1 147 . 8 1 1 A 19 19 LEU HA H 19 4.042 4.097 -0.055 1
1 148 . 8 1 1 A 19 19 LEU CB C 19 41.465 42.134 -0.669 1
1 161 . 8 1 1 A 19 19 LEU C C 19 177.410 178.464 -1.054 1
1 162 . 8 1 1 A 20 20 GLU N N 20 116.982 117.781 -0.799 1
1 163 . 8 1 1 A 20 20 GLU H H 20 7.981 8.496 -0.515 1
1 164 . 8 1 1 A 20 20 GLU CA C 20 60.285 59.929 0.356 1
1 165 . 8 1 1 A 20 20 GLU HA H 20 3.647 4.143 -0.496 1
1 166 . 8 1 1 A 20 20 GLU CB C 20 29.612 29.526 0.086 1
1 172 . 8 1 1 A 20 20 GLU C C 20 179.066 179.452 -0.386 1
1 173 . 8 1 1 A 21 21 GLN N N 21 115.877 119.322 -3.445 1
1 174 . 8 1 1 A 21 21 GLN H H 21 7.518 7.788 -0.270 1
1 175 . 8 1 1 A 21 21 GLN CA C 21 58.409 58.744 -0.335 1
1 176 . 8 1 1 A 21 21 GLN HA H 21 4.112 4.147 -0.035 1
1 177 . 8 1 1 A 21 21 GLN CB C 21 28.405 28.527 -0.122 1
1 186 . 8 1 1 A 21 21 GLN C C 21 180.271 178.698 1.573 1
1 187 . 8 1 1 A 22 22 LEU N N 22 123.461 120.899 2.562 1
1 188 . 8 1 1 A 22 22 LEU H H 22 8.775 8.388 0.387 1
1 189 . 8 1 1 A 22 22 LEU CA C 22 57.782 57.927 -0.145 1
1 190 . 8 1 1 A 22 22 LEU HA H 22 4.243 4.127 0.116 1
1 191 . 8 1 1 A 22 22 LEU CB C 22 42.687 42.067 0.620 1
1 204 . 8 1 1 A 22 22 LEU C C 22 178.112 179.234 -1.122 1
1 205 . 8 1 1 A 23 23 LEU N N 23 119.576 117.976 1.600 1
1 206 . 8 1 1 A 23 23 LEU H H 23 8.260 8.652 -0.392 1
1 207 . 8 1 1 A 23 23 LEU CA C 23 57.281 58.457 -1.176 1
1 208 . 8 1 1 A 23 23 LEU HA H 23 4.174 4.170 0.004 1
1 209 . 8 1 1 A 23 23 LEU CB C 23 42.175 41.879 0.296 1
1 222 . 8 1 1 A 23 23 LEU C C 23 177.927 179.120 -1.193 1
1 223 . 8 1 1 A 24 24 ILE N N 24 116.614 119.993 -3.379 1
1 224 . 8 1 1 A 24 24 ILE H H 24 6.949 7.715 -0.766 1
1 225 . 8 1 1 A 24 24 ILE CA C 24 62.755 64.015 -1.260 1
1 226 . 8 1 1 A 24 24 ILE HA H 24 3.787 3.922 -0.135 1
1 227 . 8 1 1 A 24 24 ILE CB C 24 38.208 37.322 0.886 1
1 240 . 8 1 1 A 24 24 ILE C C 24 177.066 177.763 -0.697 1
1 241 . 8 1 1 A 25 25 LYS N N 25 121.060 122.546 -1.486 1
1 242 . 8 1 1 A 25 25 LYS H H 25 7.421 8.242 -0.821 1
1 243 . 8 1 1 A 25 25 LYS CA C 25 59.281 59.070 0.211 1
1 244 . 8 1 1 A 25 25 LYS HA H 25 3.726 4.068 -0.342 1
1 245 . 8 1 1 A 25 25 LYS CB C 25 34.011 31.934 2.077 1
1 257 . 8 1 1 A 25 25 LYS C C 25 175.900 176.062 -0.162 1
1 258 . 8 1 1 A 26 26 TYR N N 26 117.015 117.281 -0.266 1
1 259 . 8 1 1 A 26 26 TYR H H 26 8.124 8.509 -0.385 1
1 260 . 8 1 1 A 26 26 TYR CA C 26 54.995 56.288 -1.293 1
1 261 . 8 1 1 A 26 26 TYR HA H 26 4.988 4.749 0.239 1
1 262 . 8 1 1 A 26 26 TYR CB C 26 37.055 39.061 -2.006 1
1 273 . 8 1 1 A 27 27 PRO CA C 27 62.102 61.663 0.439 1
1 274 . 8 1 1 A 27 27 PRO HA H 27 4.833 4.711 0.122 1
1 275 . 8 1 1 A 27 27 PRO CB C 27 30.960 31.511 -0.551 1
1 284 . 8 1 1 A 28 28 PRO CA C 28 64.218 62.485 1.733 1
1 285 . 8 1 1 A 28 28 PRO HA H 28 4.127 4.508 -0.381 1
1 286 . 8 1 1 A 28 28 PRO CB C 28 31.726 33.232 -1.506 1
1 295 . 8 1 1 A 28 28 PRO C C 28 175.552 175.961 -0.409 1
1 296 . 8 1 1 A 29 29 GLU N N 29 120.378 117.557 2.821 1
1 297 . 8 1 1 A 29 29 GLU H H 29 8.473 8.454 0.019 1
1 298 . 8 1 1 A 29 29 GLU CA C 29 54.425 55.361 -0.936 1
1 299 . 8 1 1 A 29 29 GLU HA H 29 4.734 4.705 0.029 1
1 300 . 8 1 1 A 29 29 GLU CB C 29 33.430 31.238 2.192 1
1 306 . 8 1 1 A 29 29 GLU C C 29 175.244 176.313 -1.069 1
1 307 . 8 1 1 A 30 30 GLU N N 30 120.351 119.867 0.484 1
1 308 . 8 1 1 A 30 30 GLU H H 30 8.502 8.751 -0.249 1
1 309 . 8 1 1 A 30 30 GLU CA C 30 60.066 59.762 0.304 1
1 310 . 8 1 1 A 30 30 GLU HA H 30 3.898 3.960 -0.062 1
1 311 . 8 1 1 A 30 30 GLU CB C 30 30.038 29.285 0.753 1
1 317 . 8 1 1 A 30 30 GLU C C 30 177.211 175.907 1.304 1
1 318 . 8 1 1 A 31 31 VAL N N 31 119.224 117.578 1.646 1
1 319 . 8 1 1 A 31 31 VAL H H 31 8.363 8.130 0.233 1
1 320 . 8 1 1 A 31 31 VAL CA C 31 61.327 62.034 -0.707 1
1 321 . 8 1 1 A 31 31 VAL HA H 31 4.154 4.175 -0.021 1
1 322 . 8 1 1 A 31 31 VAL CB C 31 30.937 32.217 -1.280 1
1 332 . 8 1 1 A 31 31 VAL C C 31 176.298 176.205 0.093 1
1 333 . 8 1 1 A 32 32 GLU N N 32 128.219 127.542 0.677 1
1 334 . 8 1 1 A 32 32 GLU H H 32 8.453 8.813 -0.360 1
1 335 . 8 1 1 A 32 32 GLU CA C 32 59.610 58.861 0.749 1
1 336 . 8 1 1 A 32 32 GLU HA H 32 3.729 3.650 0.079 1
1 337 . 8 1 1 A 32 32 GLU CB C 32 29.649 28.894 0.755 1
1 342 . 8 1 1 A 32 32 GLU C C 32 177.405 178.406 -1.001 1
1 343 . 8 1 1 A 33 33 SER N N 33 111.772 115.785 -4.013 1
1 344 . 8 1 1 A 33 33 SER H H 33 8.368 7.914 0.454 1
1 345 . 8 1 1 A 33 33 SER CA C 33 61.378 61.607 -0.229 1
1 346 . 8 1 1 A 33 33 SER HA H 33 4.087 4.231 -0.144 1
1 347 . 8 1 1 A 33 33 SER CB C 33 61.842 62.938 -1.096 1
1 350 . 8 1 1 A 33 33 SER C C 33 177.086 176.448 0.638 1
1 351 . 8 1 1 A 34 34 ARG N N 34 121.109 119.254 1.855 1
1 352 . 8 1 1 A 34 34 ARG H H 34 7.445 8.187 -0.742 1
1 353 . 8 1 1 A 34 34 ARG CA C 34 58.682 58.583 0.099 1
1 354 . 8 1 1 A 34 34 ARG HA H 34 4.067 4.014 0.053 1
1 355 . 8 1 1 A 34 34 ARG CB C 34 30.095 29.660 0.435 1
1 364 . 8 1 1 A 34 34 ARG C C 34 178.697 178.432 0.265 1
1 365 . 8 1 1 A 35 35 ARG N N 35 122.297 119.351 2.946 1
1 366 . 8 1 1 A 35 35 ARG H H 35 6.826 7.622 -0.796 1
1 367 . 8 1 1 A 35 35 ARG CA C 35 59.479 58.535 0.944 1
1 368 . 8 1 1 A 35 35 ARG HA H 35 3.718 3.937 -0.219 1
1 369 . 8 1 1 A 35 35 ARG CB C 35 30.578 29.428 1.150 1
1 380 . 8 1 1 A 35 35 ARG C C 35 178.318 178.973 -0.655 1
1 381 . 8 1 1 A 36 36 TRP N N 36 115.557 120.323 -4.766 1
1 382 . 8 1 1 A 36 36 TRP H H 36 7.702 7.670 0.032 1
1 383 . 8 1 1 A 36 36 TRP CA C 36 58.127 59.855 -1.728 1
1 384 . 8 1 1 A 36 36 TRP HA H 36 4.929 4.311 0.618 1
1 385 . 8 1 1 A 36 36 TRP CB C 36 30.618 29.585 1.033 1
1 400 . 8 1 1 A 36 36 TRP C C 36 178.742 178.843 -0.101 1
1 401 . 8 1 1 A 37 37 GLN N N 37 117.116 120.394 -3.278 1
1 402 . 8 1 1 A 37 37 GLN H H 37 7.923 7.840 0.083 1
1 403 . 8 1 1 A 37 37 GLN CA C 37 58.501 58.979 -0.478 1
1 404 . 8 1 1 A 37 37 GLN HA H 37 3.950 3.998 -0.048 1
1 405 . 8 1 1 A 37 37 GLN CB C 37 28.719 28.234 0.485 1
1 414 . 8 1 1 A 37 37 GLN C C 37 177.079 178.386 -1.307 1
1 415 . 8 1 1 A 38 38 LYS N N 38 119.256 117.488 1.768 1
1 416 . 8 1 1 A 38 38 LYS H H 38 7.543 7.230 0.313 1
1 417 . 8 1 1 A 38 38 LYS CA C 38 59.855 59.029 0.826 1
1 418 . 8 1 1 A 38 38 LYS HA H 38 3.875 3.954 -0.079 1
1 419 . 8 1 1 A 38 38 LYS CB C 38 31.717 32.129 -0.412 1
1 431 . 8 1 1 A 38 38 LYS C C 38 179.773 179.149 0.624 1
1 432 . 8 1 1 A 39 39 ILE N N 39 117.818 120.684 -2.866 1
1 433 . 8 1 1 A 39 39 ILE H H 39 7.614 7.586 0.028 1
1 434 . 8 1 1 A 39 39 ILE CA C 39 66.296 65.529 0.767 1
1 435 . 8 1 1 A 39 39 ILE HA H 39 3.534 3.573 -0.039 1
1 436 . 8 1 1 A 39 39 ILE CB C 39 38.526 38.007 0.519 1
1 449 . 8 1 1 A 39 39 ILE C C 39 177.376 178.011 -0.635 1
1 450 . 8 1 1 A 40 40 ALA N N 40 122.394 122.425 -0.031 1
1 451 . 8 1 1 A 40 40 ALA H H 40 8.680 8.573 0.107 1
1 452 . 8 1 1 A 40 40 ALA CA C 40 56.117 55.787 0.330 1
1 453 . 8 1 1 A 40 40 ALA HA H 40 3.732 4.083 -0.351 1
1 454 . 8 1 1 A 40 40 ALA CB C 40 17.581 18.479 -0.898 1
1 458 . 8 1 1 A 40 40 ALA C C 40 180.101 178.846 1.255 1
1 459 . 8 1 1 A 41 41 ASP N N 41 117.487 118.618 -1.131 1
1 460 . 8 1 1 A 41 41 ASP H H 41 8.516 8.405 0.111 1
1 461 . 8 1 1 A 41 41 ASP CA C 41 57.069 57.702 -0.633 1
1 462 . 8 1 1 A 41 41 ASP HA H 41 4.425 4.319 0.106 1
1 463 . 8 1 1 A 41 41 ASP CB C 41 40.176 40.842 -0.666 1
1 466 . 8 1 1 A 41 41 ASP C C 41 178.731 178.552 0.179 1
1 467 . 8 1 1 A 42 42 GLU N N 42 118.631 117.612 1.019 1
1 468 . 8 1 1 A 42 42 GLU H H 42 7.391 7.965 -0.574 1
1 469 . 8 1 1 A 42 42 GLU CA C 42 59.678 59.367 0.311 1
1 470 . 8 1 1 A 42 42 GLU HA H 42 4.246 4.026 0.220 1
1 471 . 8 1 1 A 42 42 GLU CB C 42 29.612 29.388 0.224 1
1 477 . 8 1 1 A 42 42 GLU C C 42 178.559 179.444 -0.885 1
1 478 . 8 1 1 A 43 43 LEU N N 43 120.834 119.548 1.286 1
1 479 . 8 1 1 A 43 43 LEU H H 43 8.247 7.579 0.668 1
1 480 . 8 1 1 A 43 43 LEU CA C 43 57.274 56.568 0.706 1
1 481 . 8 1 1 A 43 43 LEU HA H 43 4.171 4.008 0.163 1
1 482 . 8 1 1 A 43 43 LEU CB C 43 42.237 42.545 -0.308 1
1 495 . 8 1 1 A 43 43 LEU C C 43 179.282 177.156 2.126 1
1 496 . 8 1 1 A 44 44 GLY N N 44 106.089 107.881 -1.792 1
1 497 . 8 1 1 A 44 44 GLY H H 44 8.218 8.175 0.043 1
1 498 . 8 1 1 A 44 44 GLY CA C 44 46.203 45.574 0.629 1
1 499 . 8 1 1 A 44 44 GLY HA2 H 44 3.738 3.962 -0.224 1
1 500 . 8 1 1 A 44 44 GLY HA3 H 44 4.181 3.964 0.217 1
1 501 . 8 1 1 A 44 44 GLY C C 44 174.363 175.749 -1.386 1
1 502 . 8 1 1 A 45 45 ASN N N 45 117.303 117.850 -0.547 1
1 503 . 8 1 1 A 45 45 ASN H H 45 8.060 8.569 -0.509 1
1 504 . 8 1 1 A 45 45 ASN CA C 45 52.872 55.516 -2.644 1
1 505 . 8 1 1 A 45 45 ASN HA H 45 4.637 4.489 0.148 1
1 506 . 8 1 1 A 45 45 ASN CB C 45 38.017 38.493 -0.476 1
1 512 . 8 1 1 A 45 45 ASN C C 45 174.403 176.276 -1.873 1
1 513 . 8 1 1 A 46 46 ARG N N 46 115.501 116.965 -1.464 1
1 514 . 8 1 1 A 46 46 ARG H H 46 7.091 7.696 -0.605 1
1 515 . 8 1 1 A 46 46 ARG CA C 46 52.521 55.112 -2.591 1
1 516 . 8 1 1 A 46 46 ARG HA H 46 4.948 4.470 0.478 1
1 517 . 8 1 1 A 46 46 ARG CB C 46 35.298 31.021 4.277 1
1 528 . 8 1 1 A 46 46 ARG C C 46 175.373 175.699 -0.326 1
1 529 . 8 1 1 A 47 47 THR N N 47 110.043 111.781 -1.738 1
1 530 . 8 1 1 A 47 47 THR H H 47 8.411 8.561 -0.150 1
1 531 . 8 1 1 A 47 47 THR CA C 47 59.643 59.568 0.075 1
1 532 . 8 1 1 A 47 47 THR HA H 47 4.602 4.947 -0.345 1
1 533 . 8 1 1 A 47 47 THR CB C 47 71.307 71.932 -0.625 1
1 539 . 8 1 1 A 47 47 THR C C 47 175.891 175.843 0.048 1
1 540 . 8 1 1 A 48 48 ALA N N 48 123.448 125.035 -1.587 1
1 541 . 8 1 1 A 48 48 ALA H H 48 9.205 9.105 0.100 1
1 542 . 8 1 1 A 48 48 ALA CA C 48 55.820 55.491 0.329 1
1 543 . 8 1 1 A 48 48 ALA HA H 48 3.869 4.069 -0.200 1
1 544 . 8 1 1 A 48 48 ALA CB C 48 17.997 18.542 -0.545 1
1 548 . 8 1 1 A 48 48 ALA C C 48 179.731 179.639 0.092 1
1 549 . 8 1 1 A 49 49 LYS N N 49 117.235 117.634 -0.399 1
1 550 . 8 1 1 A 49 49 LYS H H 49 8.127 7.706 0.421 1
1 551 . 8 1 1 A 49 49 LYS CA C 49 59.436 59.377 0.059 1
1 552 . 8 1 1 A 49 49 LYS HA H 49 4.008 4.061 -0.053 1
1 553 . 8 1 1 A 49 49 LYS CB C 49 32.661 32.423 0.238 1
1 565 . 8 1 1 A 49 49 LYS C C 49 179.567 178.676 0.891 1
1 566 . 8 1 1 A 50 50 GLN N N 50 119.324 118.260 1.064 1
1 567 . 8 1 1 A 50 50 GLN H H 50 7.753 7.672 0.081 1
1 568 . 8 1 1 A 50 50 GLN CA C 50 58.938 58.868 0.070 1
1 569 . 8 1 1 A 50 50 GLN HA H 50 4.191 4.024 0.167 1
1 570 . 8 1 1 A 50 50 GLN CB C 50 29.389 28.375 1.014 1
1 579 . 8 1 1 A 50 50 GLN C C 50 180.097 178.458 1.639 1
1 580 . 8 1 1 A 51 51 VAL N N 51 120.881 120.974 -0.093 1
1 581 . 8 1 1 A 51 51 VAL H H 51 8.397 8.063 0.334 1
1 582 . 8 1 1 A 51 51 VAL CA C 51 67.510 66.168 1.342 1
1 583 . 8 1 1 A 51 51 VAL HA H 51 3.491 3.721 -0.230 1
1 584 . 8 1 1 A 51 51 VAL CB C 51 31.871 31.439 0.432 1
1 594 . 8 1 1 A 51 51 VAL C C 51 176.150 177.575 -1.425 1
1 595 . 8 1 1 A 52 52 ALA N N 52 120.695 121.644 -0.949 1
1 596 . 8 1 1 A 52 52 ALA H H 52 8.057 8.328 -0.271 1
1 597 . 8 1 1 A 52 52 ALA CA C 52 55.307 55.140 0.167 1
1 598 . 8 1 1 A 52 52 ALA HA H 52 2.379 2.959 -0.580 1
1 599 . 8 1 1 A 52 52 ALA CB C 52 17.410 18.159 -0.749 1
1 603 . 8 1 1 A 52 52 ALA C C 52 180.088 179.087 1.001 1
1 604 . 8 1 1 A 53 53 SER N N 53 110.953 112.783 -1.830 1
1 605 . 8 1 1 A 53 53 SER H H 53 7.653 7.935 -0.282 1
1 606 . 8 1 1 A 53 53 SER CA C 53 61.291 61.538 -0.247 1
1 607 . 8 1 1 A 53 53 SER HA H 53 4.049 4.056 -0.007 1
1 608 . 8 1 1 A 53 53 SER CB C 53 63.032 62.409 0.623 1
1 610 . 8 1 1 A 53 53 SER C C 53 180.076 176.073 4.003 1
1 611 . 8 1 1 A 54 54 GLN N N 54 123.306 120.866 2.440 1
1 612 . 8 1 1 A 54 54 GLN H H 54 7.615 7.463 0.152 1
1 613 . 8 1 1 A 54 54 GLN CA C 54 57.843 58.289 -0.446 1
1 614 . 8 1 1 A 54 54 GLN HA H 54 3.844 3.758 0.086 1
1 615 . 8 1 1 A 54 54 GLN CB C 54 27.422 27.805 -0.383 1
1 624 . 8 1 1 A 55 55 VAL N N 55 119.150 119.651 -0.501 1
1 625 . 8 1 1 A 55 55 VAL H H 55 8.266 7.816 0.450 1
1 626 . 8 1 1 A 55 55 VAL CA C 55 66.491 65.986 0.505 1
1 627 . 8 1 1 A 55 55 VAL HA H 55 3.417 3.521 -0.104 1
1 628 . 8 1 1 A 55 55 VAL CB C 55 31.306 31.455 -0.149 1
1 638 . 8 1 1 A 55 55 VAL C C 55 177.640 178.011 -0.371 1
1 639 . 8 1 1 A 56 56 GLN N N 56 116.992 119.223 -2.231 1
1 640 . 8 1 1 A 56 56 GLN H H 56 7.578 7.600 -0.022 1
1 641 . 8 1 1 A 56 56 GLN CA C 56 58.616 58.784 -0.168 1
1 642 . 8 1 1 A 56 56 GLN HA H 56 3.964 3.961 0.003 1
1 643 . 8 1 1 A 56 56 GLN CB C 56 28.115 28.520 -0.405 1
1 652 . 8 1 1 A 56 56 GLN C C 56 177.976 177.913 0.063 1
1 653 . 8 1 1 A 57 57 LYS N N 57 117.073 116.486 0.587 1
1 654 . 8 1 1 A 57 57 LYS H H 57 7.378 8.258 -0.880 1
1 655 . 8 1 1 A 57 57 LYS CA C 57 58.958 56.949 2.009 1
1 656 . 8 1 1 A 57 57 LYS HA H 57 3.897 4.311 -0.414 1
1 657 . 8 1 1 A 57 57 LYS CB C 57 32.837 32.538 0.299 1
1 669 . 8 1 1 A 57 57 LYS C C 57 178.237 176.988 1.249 1
1 670 . 8 1 1 A 58 58 TYR N N 58 117.398 117.920 -0.522 1
1 671 . 8 1 1 A 58 58 TYR H H 58 7.722 8.038 -0.316 1
1 672 . 8 1 1 A 58 58 TYR CA C 58 59.231 59.011 0.220 1
1 673 . 8 1 1 A 58 58 TYR HA H 58 4.422 4.620 -0.198 1
1 674 . 8 1 1 A 58 58 TYR CB C 58 38.850 40.651 -1.801 1
1 685 . 8 1 1 A 58 58 TYR C C 58 176.329 176.479 -0.150 1
1 686 . 8 1 1 A 59 59 PHE N N 59 118.720 116.323 2.397 1
1 687 . 8 1 1 A 59 59 PHE H H 59 8.197 8.001 0.196 1
1 688 . 8 1 1 A 59 59 PHE CA C 59 59.396 59.124 0.272 1
1 689 . 8 1 1 A 59 59 PHE HA H 59 4.487 4.625 -0.138 1
1 690 . 8 1 1 A 59 59 PHE CB C 59 39.309 39.804 -0.495 1
1 703 . 8 1 1 A 59 59 PHE C C 59 177.355 176.717 0.638 1
1 704 . 8 1 1 A 60 60 ILE N N 60 120.989 119.464 1.525 1
1 705 . 8 1 1 A 60 60 ILE H H 60 7.940 7.789 0.151 1
1 706 . 8 1 1 A 60 60 ILE CA C 60 63.239 63.654 -0.415 1
1 707 . 8 1 1 A 60 60 ILE HA H 60 3.937 4.057 -0.120 1
1 708 . 8 1 1 A 60 60 ILE CB C 60 38.017 37.657 0.360 1
1 721 . 8 1 1 A 60 60 ILE C C 60 177.197 178.090 -0.893 1
1 722 . 8 1 1 A 61 61 LYS N N 61 122.558 123.323 -0.765 1
1 723 . 8 1 1 A 61 61 LYS H H 61 8.056 7.997 0.059 1
1 724 . 8 1 1 A 61 61 LYS CA C 61 57.840 59.250 -1.410 1
1 725 . 8 1 1 A 61 61 LYS HA H 61 4.158 4.064 0.094 1
1 726 . 8 1 1 A 61 61 LYS CB C 61 32.480 32.238 0.242 1
1 738 . 8 1 1 A 61 61 LYS C C 61 177.737 179.130 -1.393 1
1 739 . 8 1 1 A 62 62 LEU N N 62 120.763 115.843 4.920 1
1 740 . 8 1 1 A 62 62 LEU H H 62 8.145 7.843 0.302 1
1 741 . 8 1 1 A 62 62 LEU CA C 62 55.989 57.945 -1.956 1
1 742 . 8 1 1 A 62 62 LEU HA H 62 4.302 4.146 0.156 1
1 743 . 8 1 1 A 62 62 LEU CB C 62 42.379 40.892 1.487 1
1 756 . 8 1 1 A 62 62 LEU C C 62 178.178 177.108 1.070 1
1 757 . 8 1 1 A 63 63 THR N N 63 113.377 113.909 -0.532 1
1 758 . 8 1 1 A 63 63 THR H H 63 8.043 7.164 0.879 1
1 759 . 8 1 1 A 63 63 THR CA C 63 63.007 62.506 0.501 1
1 760 . 8 1 1 A 63 63 THR HA H 63 4.285 4.240 0.045 1
1 761 . 8 1 1 A 63 63 THR CB C 63 70.153 69.403 0.750 1
1 767 . 8 1 1 A 63 63 THR C C 63 175.775 175.581 0.194 1
1 768 . 8 1 1 A 64 64 LYS N N 64 122.961 125.394 -2.433 1
1 769 . 8 1 1 A 64 64 LYS H H 64 8.333 8.651 -0.318 1
1 770 . 8 1 1 A 64 64 LYS CA C 64 57.298 59.911 -2.613 1
1 771 . 8 1 1 A 64 64 LYS HA H 64 4.218 3.987 0.231 1
1 772 . 8 1 1 A 64 64 LYS CB C 64 32.578 32.405 0.173 1
1 784 . 8 1 1 A 64 64 LYS C C 64 176.684 177.224 -0.540 1
1 785 . 8 1 1 A 65 65 ALA N N 65 123.107 120.292 2.815 1
1 786 . 8 1 1 A 65 65 ALA H H 65 8.024 7.893 0.131 1
1 787 . 8 1 1 A 65 65 ALA CA C 65 52.597 53.048 -0.451 1
1 788 . 8 1 1 A 65 65 ALA HA H 65 4.323 4.221 0.102 1
1 789 . 8 1 1 A 65 65 ALA CB C 65 19.229 19.315 -0.086 1
1 793 . 8 1 1 A 65 65 ALA C C 65 178.017 178.406 -0.389 1
1 794 . 8 1 1 A 66 66 GLY N N 66 107.464 110.461 -2.997 1
1 795 . 8 1 1 A 66 66 GLY H H 66 8.165 8.730 -0.565 1
1 796 . 8 1 1 A 66 66 GLY CA C 66 45.223 45.763 -0.540 1
1 797 . 8 1 1 A 66 66 GLY HA2 H 66 3.955 3.983 -0.028 1
1 798 . 8 1 1 A 66 66 GLY HA3 H 66 3.888 3.987 -0.099 1
1 799 . 8 1 1 A 66 66 GLY C C 66 173.809 173.924 -0.115 1
1 800 . 8 1 1 A 67 67 ILE N N 67 121.784 120.695 1.089 1
1 801 . 8 1 1 A 67 67 ILE H H 67 7.825 7.838 -0.013 1
1 802 . 8 1 1 A 67 67 ILE CA C 67 58.397 58.045 0.352 1
1 803 . 8 1 1 A 67 67 ILE HA H 67 4.457 4.653 -0.196 1
1 804 . 8 1 1 A 67 67 ILE CB C 67 38.622 41.810 -3.188 1
1 817 . 8 1 1 A 67 67 ILE C C 67 174.638 173.555 1.083 1
1 818 . 8 1 1 A 68 68 PRO CA C 68 63.157 62.300 0.857 1
1 819 . 8 1 1 A 68 68 PRO HA H 68 4.499 4.570 -0.071 1
1 820 . 8 1 1 A 68 68 PRO CB C 68 31.946 33.332 -1.386 1
1 829 . 8 1 1 A 68 68 PRO C C 68 176.866 174.966 1.900 1
1 830 . 8 1 1 A 69 69 VAL N N 69 120.953 119.743 1.210 1
1 831 . 8 1 1 A 69 69 VAL H H 69 8.269 8.381 -0.112 1
1 832 . 8 1 1 A 69 69 VAL CA C 69 62.460 60.475 1.985 1
1 833 . 8 1 1 A 69 69 VAL HA H 69 4.112 4.877 -0.765 1
1 834 . 8 1 1 A 69 69 VAL CB C 69 32.882 35.294 -2.412 1
1 844 . 8 1 1 A 69 69 VAL C C 69 176.217 174.768 1.449 1
1 845 . 8 1 1 A 70 70 SER N N 70 118.672 119.982 -1.310 1
1 846 . 8 1 1 A 70 70 SER H H 70 8.321 8.579 -0.258 1
1 847 . 8 1 1 A 70 70 SER CA C 70 58.127 57.586 0.541 1
1 848 . 8 1 1 A 70 70 SER HA H 70 4.536 4.957 -0.421 1
1 849 . 8 1 1 A 70 70 SER CB C 70 64.051 66.256 -2.205 1
1 852 . 8 1 1 A 70 70 SER C C 70 174.419 172.904 1.515 1
1 853 . 8 1 1 A 72 72 PRO CA C 72 63.221 64.846 -1.625 1
1 854 . 8 1 1 A 72 72 PRO HA H 72 4.480 4.376 0.104 1
1 855 . 8 1 1 A 72 72 PRO CB C 72 32.287 32.079 0.208 1
1 864 . 8 1 1 A 73 73 SER N N 73 116.355 109.416 6.939 1
1 865 . 8 1 1 A 73 73 SER H H 73 8.521 7.647 0.874 1
1 866 . 8 1 1 A 73 73 SER CA C 73 58.407 56.454 1.953 1
1 867 . 8 1 1 A 73 73 SER HA H 73 4.580 4.835 -0.255 1
1 868 . 8 1 1 A 73 73 SER CB C 73 63.942 65.643 -1.701 1
1 1 . 9 1 1 A 9 9 GLN CA C 9 56.082 54.855 1.227 1
1 2 . 9 1 1 A 9 9 GLN HA H 9 4.326 4.625 -0.299 1
1 3 . 9 1 1 A 9 9 GLN CB C 9 29.035 29.593 -0.558 1
1 9 . 9 1 1 A 9 9 GLN C C 9 176.519 174.432 2.087 1
1 10 . 9 1 1 A 10 10 LEU N N 10 124.239 125.744 -1.505 1
1 11 . 9 1 1 A 10 10 LEU H H 10 8.287 8.618 -0.331 1
1 12 . 9 1 1 A 10 10 LEU CA C 10 55.553 53.893 1.660 1
1 13 . 9 1 1 A 10 10 LEU HA H 10 4.390 4.916 -0.526 1
1 14 . 9 1 1 A 10 10 LEU CB C 10 42.168 42.711 -0.543 1
1 27 . 9 1 1 A 10 10 LEU C C 10 177.357 177.466 -0.109 1
1 28 . 9 1 1 A 11 11 TRP N N 11 124.940 121.444 3.496 1
1 29 . 9 1 1 A 11 11 TRP H H 11 8.879 8.830 0.049 1
1 30 . 9 1 1 A 11 11 TRP CA C 11 56.849 57.706 -0.857 1
1 31 . 9 1 1 A 11 11 TRP HA H 11 4.668 4.835 -0.167 1
1 32 . 9 1 1 A 11 11 TRP CB C 11 28.603 29.964 -1.361 1
1 47 . 9 1 1 A 11 11 TRP C C 11 177.416 176.296 1.120 1
1 48 . 9 1 1 A 12 12 THR N N 12 115.857 114.490 1.367 1
1 49 . 9 1 1 A 12 12 THR H H 12 8.760 8.539 0.221 1
1 50 . 9 1 1 A 12 12 THR CA C 12 60.885 59.868 1.017 1
1 51 . 9 1 1 A 12 12 THR HA H 12 4.509 5.140 -0.631 1
1 52 . 9 1 1 A 12 12 THR CB C 12 71.142 71.292 -0.150 1
1 58 . 9 1 1 A 12 12 THR C C 12 175.828 174.962 0.866 1
1 59 . 9 1 1 A 13 13 VAL N N 13 121.033 127.555 -6.522 1
1 60 . 9 1 1 A 13 13 VAL H H 13 8.782 8.967 -0.185 1
1 61 . 9 1 1 A 13 13 VAL CA C 13 66.558 66.977 -0.419 1
1 62 . 9 1 1 A 13 13 VAL HA H 13 3.784 3.749 0.035 1
1 63 . 9 1 1 A 13 13 VAL CB C 13 31.659 31.752 -0.093 1
1 73 . 9 1 1 A 13 13 VAL C C 13 178.595 177.358 1.237 1
1 74 . 9 1 1 A 14 14 GLU N N 14 119.290 119.198 0.092 1
1 75 . 9 1 1 A 14 14 GLU H H 14 8.586 8.519 0.067 1
1 76 . 9 1 1 A 14 14 GLU CA C 14 60.285 59.637 0.648 1
1 77 . 9 1 1 A 14 14 GLU HA H 14 4.024 4.017 0.007 1
1 78 . 9 1 1 A 14 14 GLU CB C 14 29.039 29.326 -0.287 1
1 84 . 9 1 1 A 14 14 GLU C C 14 179.736 179.564 0.172 1
1 85 . 9 1 1 A 15 15 GLU N N 15 121.533 119.579 1.954 1
1 86 . 9 1 1 A 15 15 GLU H H 15 7.934 8.448 -0.514 1
1 87 . 9 1 1 A 15 15 GLU CA C 15 59.834 59.206 0.628 1
1 88 . 9 1 1 A 15 15 GLU HA H 15 3.990 4.234 -0.244 1
1 89 . 9 1 1 A 15 15 GLU CB C 15 31.315 29.332 1.983 1
1 95 . 9 1 1 A 15 15 GLU C C 15 178.886 179.414 -0.528 1
1 96 . 9 1 1 A 16 16 GLN N N 16 119.475 119.631 -0.156 1
1 97 . 9 1 1 A 16 16 GLN H H 16 8.595 8.828 -0.233 1
1 98 . 9 1 1 A 16 16 GLN CA C 16 59.369 59.426 -0.057 1
1 99 . 9 1 1 A 16 16 GLN HA H 16 4.104 4.176 -0.072 1
1 100 . 9 1 1 A 16 16 GLN CB C 16 28.376 28.500 -0.124 1
1 109 . 9 1 1 A 16 16 GLN C C 16 178.548 178.431 0.117 1
1 110 . 9 1 1 A 17 17 LYS N N 17 119.404 118.834 0.570 1
1 111 . 9 1 1 A 17 17 LYS H H 17 8.241 8.030 0.211 1
1 112 . 9 1 1 A 17 17 LYS CA C 17 59.175 59.294 -0.119 1
1 113 . 9 1 1 A 17 17 LYS HA H 17 4.103 4.146 -0.043 1
1 114 . 9 1 1 A 17 17 LYS CB C 17 31.980 32.254 -0.274 1
1 126 . 9 1 1 A 17 17 LYS C C 17 179.663 179.010 0.653 1
1 127 . 9 1 1 A 18 18 LYS N N 18 120.546 119.725 0.821 1
1 128 . 9 1 1 A 18 18 LYS H H 18 7.852 8.158 -0.306 1
1 129 . 9 1 1 A 18 18 LYS CA C 18 59.432 59.166 0.266 1
1 130 . 9 1 1 A 18 18 LYS HA H 18 4.157 4.072 0.085 1
1 131 . 9 1 1 A 18 18 LYS CB C 18 32.166 32.325 -0.159 1
1 143 . 9 1 1 A 18 18 LYS C C 18 179.003 178.833 0.170 1
1 144 . 9 1 1 A 19 19 LEU N N 19 120.782 121.097 -0.315 1
1 145 . 9 1 1 A 19 19 LEU H H 19 8.639 8.324 0.315 1
1 146 . 9 1 1 A 19 19 LEU CA C 19 58.729 58.256 0.473 1
1 147 . 9 1 1 A 19 19 LEU HA H 19 4.042 4.219 -0.177 1
1 148 . 9 1 1 A 19 19 LEU CB C 19 41.465 41.968 -0.503 1
1 161 . 9 1 1 A 19 19 LEU C C 19 177.410 178.799 -1.389 1
1 162 . 9 1 1 A 20 20 GLU N N 20 116.982 118.150 -1.168 1
1 163 . 9 1 1 A 20 20 GLU H H 20 7.981 8.171 -0.190 1
1 164 . 9 1 1 A 20 20 GLU CA C 20 60.285 59.970 0.315 1
1 165 . 9 1 1 A 20 20 GLU HA H 20 3.647 4.128 -0.481 1
1 166 . 9 1 1 A 20 20 GLU CB C 20 29.612 29.395 0.217 1
1 172 . 9 1 1 A 20 20 GLU C C 20 179.066 179.310 -0.244 1
1 173 . 9 1 1 A 21 21 GLN N N 21 115.877 119.157 -3.280 1
1 174 . 9 1 1 A 21 21 GLN H H 21 7.518 7.825 -0.307 1
1 175 . 9 1 1 A 21 21 GLN CA C 21 58.409 58.903 -0.494 1
1 176 . 9 1 1 A 21 21 GLN HA H 21 4.112 4.070 0.042 1
1 177 . 9 1 1 A 21 21 GLN CB C 21 28.405 28.430 -0.025 1
1 186 . 9 1 1 A 21 21 GLN C C 21 180.271 178.659 1.612 1
1 187 . 9 1 1 A 22 22 LEU N N 22 123.461 121.138 2.323 1
1 188 . 9 1 1 A 22 22 LEU H H 22 8.775 7.987 0.788 1
1 189 . 9 1 1 A 22 22 LEU CA C 22 57.782 57.941 -0.159 1
1 190 . 9 1 1 A 22 22 LEU HA H 22 4.243 4.055 0.188 1
1 191 . 9 1 1 A 22 22 LEU CB C 22 42.687 41.986 0.701 1
1 204 . 9 1 1 A 22 22 LEU C C 22 178.112 179.168 -1.056 1
1 205 . 9 1 1 A 23 23 LEU N N 23 119.576 117.913 1.663 1
1 206 . 9 1 1 A 23 23 LEU H H 23 8.260 8.391 -0.131 1
1 207 . 9 1 1 A 23 23 LEU CA C 23 57.281 58.389 -1.108 1
1 208 . 9 1 1 A 23 23 LEU HA H 23 4.174 4.128 0.046 1
1 209 . 9 1 1 A 23 23 LEU CB C 23 42.175 41.822 0.353 1
1 222 . 9 1 1 A 23 23 LEU C C 23 177.927 179.110 -1.183 1
1 223 . 9 1 1 A 24 24 ILE N N 24 116.614 119.638 -3.024 1
1 224 . 9 1 1 A 24 24 ILE H H 24 6.949 7.903 -0.954 1
1 225 . 9 1 1 A 24 24 ILE CA C 24 62.755 65.221 -2.466 1
1 226 . 9 1 1 A 24 24 ILE HA H 24 3.787 3.620 0.167 1
1 227 . 9 1 1 A 24 24 ILE CB C 24 38.208 37.634 0.574 1
1 240 . 9 1 1 A 24 24 ILE C C 24 177.066 178.020 -0.954 1
1 241 . 9 1 1 A 25 25 LYS N N 25 121.060 122.279 -1.219 1
1 242 . 9 1 1 A 25 25 LYS H H 25 7.421 7.897 -0.476 1
1 243 . 9 1 1 A 25 25 LYS CA C 25 59.281 58.993 0.288 1
1 244 . 9 1 1 A 25 25 LYS HA H 25 3.726 3.966 -0.240 1
1 245 . 9 1 1 A 25 25 LYS CB C 25 34.011 32.170 1.841 1
1 257 . 9 1 1 A 25 25 LYS C C 25 175.900 176.075 -0.175 1
1 258 . 9 1 1 A 26 26 TYR N N 26 117.015 117.050 -0.035 1
1 259 . 9 1 1 A 26 26 TYR H H 26 8.124 8.476 -0.352 1
1 260 . 9 1 1 A 26 26 TYR CA C 26 54.995 55.553 -0.558 1
1 261 . 9 1 1 A 26 26 TYR HA H 26 4.988 4.891 0.097 1
1 262 . 9 1 1 A 26 26 TYR CB C 26 37.055 38.541 -1.486 1
1 273 . 9 1 1 A 27 27 PRO CA C 27 62.102 61.645 0.457 1
1 274 . 9 1 1 A 27 27 PRO HA H 27 4.833 4.708 0.125 1
1 275 . 9 1 1 A 27 27 PRO CB C 27 30.960 31.579 -0.619 1
1 284 . 9 1 1 A 28 28 PRO CA C 28 64.218 62.779 1.439 1
1 285 . 9 1 1 A 28 28 PRO HA H 28 4.127 4.510 -0.383 1
1 286 . 9 1 1 A 28 28 PRO CB C 28 31.726 32.129 -0.403 1
1 295 . 9 1 1 A 28 28 PRO C C 28 175.552 176.441 -0.889 1
1 296 . 9 1 1 A 29 29 GLU N N 29 120.378 119.115 1.263 1
1 297 . 9 1 1 A 29 29 GLU H H 29 8.473 7.973 0.500 1
1 298 . 9 1 1 A 29 29 GLU CA C 29 54.425 54.299 0.126 1
1 299 . 9 1 1 A 29 29 GLU HA H 29 4.734 4.512 0.222 1
1 300 . 9 1 1 A 29 29 GLU CB C 29 33.430 31.185 2.245 1
1 306 . 9 1 1 A 29 29 GLU C C 29 175.244 176.585 -1.341 1
1 307 . 9 1 1 A 30 30 GLU N N 30 120.351 120.141 0.210 1
1 308 . 9 1 1 A 30 30 GLU H H 30 8.502 8.990 -0.488 1
1 309 . 9 1 1 A 30 30 GLU CA C 30 60.066 59.658 0.408 1
1 310 . 9 1 1 A 30 30 GLU HA H 30 3.898 3.969 -0.071 1
1 311 . 9 1 1 A 30 30 GLU CB C 30 30.038 29.295 0.743 1
1 317 . 9 1 1 A 30 30 GLU C C 30 177.211 176.120 1.091 1
1 318 . 9 1 1 A 31 31 VAL N N 31 119.224 117.617 1.607 1
1 319 . 9 1 1 A 31 31 VAL H H 31 8.363 7.751 0.612 1
1 320 . 9 1 1 A 31 31 VAL CA C 31 61.327 62.183 -0.856 1
1 321 . 9 1 1 A 31 31 VAL HA H 31 4.154 4.170 -0.016 1
1 322 . 9 1 1 A 31 31 VAL CB C 31 30.937 31.818 -0.881 1
1 332 . 9 1 1 A 31 31 VAL C C 31 176.298 176.108 0.190 1
1 333 . 9 1 1 A 32 32 GLU N N 32 128.219 129.767 -1.548 1
1 334 . 9 1 1 A 32 32 GLU H H 32 8.453 8.697 -0.244 1
1 335 . 9 1 1 A 32 32 GLU CA C 32 59.610 59.477 0.133 1
1 336 . 9 1 1 A 32 32 GLU HA H 32 3.729 3.537 0.192 1
1 337 . 9 1 1 A 32 32 GLU CB C 32 29.649 29.450 0.199 1
1 342 . 9 1 1 A 32 32 GLU C C 32 177.405 177.785 -0.380 1
1 343 . 9 1 1 A 33 33 SER N N 33 111.772 114.317 -2.545 1
1 344 . 9 1 1 A 33 33 SER H H 33 8.368 7.764 0.604 1
1 345 . 9 1 1 A 33 33 SER CA C 33 61.378 61.696 -0.318 1
1 346 . 9 1 1 A 33 33 SER HA H 33 4.087 4.226 -0.139 1
1 347 . 9 1 1 A 33 33 SER CB C 33 61.842 63.157 -1.315 1
1 350 . 9 1 1 A 33 33 SER C C 33 177.086 177.370 -0.284 1
1 351 . 9 1 1 A 34 34 ARG N N 34 121.109 120.802 0.307 1
1 352 . 9 1 1 A 34 34 ARG H H 34 7.445 7.876 -0.431 1
1 353 . 9 1 1 A 34 34 ARG CA C 34 58.682 59.840 -1.158 1
1 354 . 9 1 1 A 34 34 ARG HA H 34 4.067 3.947 0.120 1
1 355 . 9 1 1 A 34 34 ARG CB C 34 30.095 29.826 0.269 1
1 364 . 9 1 1 A 34 34 ARG C C 34 178.697 178.631 0.066 1
1 365 . 9 1 1 A 35 35 ARG N N 35 122.297 118.824 3.473 1
1 366 . 9 1 1 A 35 35 ARG H H 35 6.826 7.129 -0.303 1
1 367 . 9 1 1 A 35 35 ARG CA C 35 59.479 58.746 0.733 1
1 368 . 9 1 1 A 35 35 ARG HA H 35 3.718 3.856 -0.138 1
1 369 . 9 1 1 A 35 35 ARG CB C 35 30.578 29.605 0.973 1
1 380 . 9 1 1 A 35 35 ARG C C 35 178.318 178.619 -0.301 1
1 381 . 9 1 1 A 36 36 TRP N N 36 115.557 120.416 -4.859 1
1 382 . 9 1 1 A 36 36 TRP H H 36 7.702 7.124 0.578 1
1 383 . 9 1 1 A 36 36 TRP CA C 36 58.127 60.402 -2.275 1
1 384 . 9 1 1 A 36 36 TRP HA H 36 4.929 4.350 0.579 1
1 385 . 9 1 1 A 36 36 TRP CB C 36 30.618 29.044 1.574 1
1 400 . 9 1 1 A 36 36 TRP C C 36 178.742 178.596 0.146 1
1 401 . 9 1 1 A 37 37 GLN N N 37 117.116 119.077 -1.961 1
1 402 . 9 1 1 A 37 37 GLN H H 37 7.923 8.122 -0.199 1
1 403 . 9 1 1 A 37 37 GLN CA C 37 58.501 58.960 -0.459 1
1 404 . 9 1 1 A 37 37 GLN HA H 37 3.950 4.027 -0.077 1
1 405 . 9 1 1 A 37 37 GLN CB C 37 28.719 28.155 0.564 1
1 414 . 9 1 1 A 37 37 GLN C C 37 177.079 178.273 -1.194 1
1 415 . 9 1 1 A 38 38 LYS N N 38 119.256 117.898 1.358 1
1 416 . 9 1 1 A 38 38 LYS H H 38 7.543 7.563 -0.020 1
1 417 . 9 1 1 A 38 38 LYS CA C 38 59.855 59.152 0.703 1
1 418 . 9 1 1 A 38 38 LYS HA H 38 3.875 3.829 0.046 1
1 419 . 9 1 1 A 38 38 LYS CB C 38 31.717 31.893 -0.176 1
1 431 . 9 1 1 A 38 38 LYS C C 38 179.773 179.146 0.627 1
1 432 . 9 1 1 A 39 39 ILE N N 39 117.818 120.085 -2.267 1
1 433 . 9 1 1 A 39 39 ILE H H 39 7.614 7.632 -0.018 1
1 434 . 9 1 1 A 39 39 ILE CA C 39 66.296 65.419 0.877 1
1 435 . 9 1 1 A 39 39 ILE HA H 39 3.534 3.465 0.069 1
1 436 . 9 1 1 A 39 39 ILE CB C 39 38.526 37.669 0.857 1
1 449 . 9 1 1 A 39 39 ILE C C 39 177.376 178.077 -0.701 1
1 450 . 9 1 1 A 40 40 ALA N N 40 122.394 122.508 -0.114 1
1 451 . 9 1 1 A 40 40 ALA H H 40 8.680 8.625 0.055 1
1 452 . 9 1 1 A 40 40 ALA CA C 40 56.117 55.529 0.588 1
1 453 . 9 1 1 A 40 40 ALA HA H 40 3.732 4.060 -0.328 1
1 454 . 9 1 1 A 40 40 ALA CB C 40 17.581 18.453 -0.872 1
1 458 . 9 1 1 A 40 40 ALA C C 40 180.101 178.950 1.151 1
1 459 . 9 1 1 A 41 41 ASP N N 41 117.487 118.690 -1.203 1
1 460 . 9 1 1 A 41 41 ASP H H 41 8.516 8.415 0.101 1
1 461 . 9 1 1 A 41 41 ASP CA C 41 57.069 57.688 -0.619 1
1 462 . 9 1 1 A 41 41 ASP HA H 41 4.425 4.314 0.111 1
1 463 . 9 1 1 A 41 41 ASP CB C 41 40.176 40.738 -0.562 1
1 466 . 9 1 1 A 41 41 ASP C C 41 178.731 178.620 0.111 1
1 467 . 9 1 1 A 42 42 GLU N N 42 118.631 118.470 0.161 1
1 468 . 9 1 1 A 42 42 GLU H H 42 7.391 8.087 -0.696 1
1 469 . 9 1 1 A 42 42 GLU CA C 42 59.678 59.364 0.314 1
1 470 . 9 1 1 A 42 42 GLU HA H 42 4.246 4.111 0.135 1
1 471 . 9 1 1 A 42 42 GLU CB C 42 29.612 29.469 0.143 1
1 477 . 9 1 1 A 42 42 GLU C C 42 178.559 179.398 -0.839 1
1 478 . 9 1 1 A 43 43 LEU N N 43 120.834 119.609 1.225 1
1 479 . 9 1 1 A 43 43 LEU H H 43 8.247 7.600 0.647 1
1 480 . 9 1 1 A 43 43 LEU CA C 43 57.274 56.811 0.463 1
1 481 . 9 1 1 A 43 43 LEU HA H 43 4.171 4.017 0.154 1
1 482 . 9 1 1 A 43 43 LEU CB C 43 42.237 42.648 -0.411 1
1 495 . 9 1 1 A 43 43 LEU C C 43 179.282 176.992 2.290 1
1 496 . 9 1 1 A 44 44 GLY N N 44 106.089 107.413 -1.324 1
1 497 . 9 1 1 A 44 44 GLY H H 44 8.218 8.161 0.057 1
1 498 . 9 1 1 A 44 44 GLY CA C 44 46.203 45.684 0.519 1
1 499 . 9 1 1 A 44 44 GLY HA2 H 44 3.738 3.966 -0.228 1
1 500 . 9 1 1 A 44 44 GLY HA3 H 44 4.181 3.968 0.213 1
1 501 . 9 1 1 A 44 44 GLY C C 44 174.363 175.848 -1.485 1
1 502 . 9 1 1 A 45 45 ASN N N 45 117.303 117.963 -0.660 1
1 503 . 9 1 1 A 45 45 ASN H H 45 8.060 8.313 -0.253 1
1 504 . 9 1 1 A 45 45 ASN CA C 45 52.872 55.504 -2.632 1
1 505 . 9 1 1 A 45 45 ASN HA H 45 4.637 4.445 0.192 1
1 506 . 9 1 1 A 45 45 ASN CB C 45 38.017 38.517 -0.500 1
1 512 . 9 1 1 A 45 45 ASN C C 45 174.403 176.191 -1.788 1
1 513 . 9 1 1 A 46 46 ARG N N 46 115.501 116.956 -1.455 1
1 514 . 9 1 1 A 46 46 ARG H H 46 7.091 7.667 -0.576 1
1 515 . 9 1 1 A 46 46 ARG CA C 46 52.521 55.266 -2.745 1
1 516 . 9 1 1 A 46 46 ARG HA H 46 4.948 4.431 0.517 1
1 517 . 9 1 1 A 46 46 ARG CB C 46 35.298 30.923 4.375 1
1 528 . 9 1 1 A 46 46 ARG C C 46 175.373 175.959 -0.586 1
1 529 . 9 1 1 A 47 47 THR N N 47 110.043 111.790 -1.747 1
1 530 . 9 1 1 A 47 47 THR H H 47 8.411 8.498 -0.087 1
1 531 . 9 1 1 A 47 47 THR CA C 47 59.643 59.454 0.189 1
1 532 . 9 1 1 A 47 47 THR HA H 47 4.602 4.974 -0.372 1
1 533 . 9 1 1 A 47 47 THR CB C 47 71.307 72.023 -0.716 1
1 539 . 9 1 1 A 47 47 THR C C 47 175.891 175.747 0.144 1
1 540 . 9 1 1 A 48 48 ALA N N 48 123.448 124.483 -1.035 1
1 541 . 9 1 1 A 48 48 ALA H H 48 9.205 9.074 0.131 1
1 542 . 9 1 1 A 48 48 ALA CA C 48 55.820 55.228 0.592 1
1 543 . 9 1 1 A 48 48 ALA HA H 48 3.869 4.083 -0.214 1
1 544 . 9 1 1 A 48 48 ALA CB C 48 17.997 18.474 -0.477 1
1 548 . 9 1 1 A 48 48 ALA C C 48 179.731 179.599 0.132 1
1 549 . 9 1 1 A 49 49 LYS N N 49 117.235 117.966 -0.731 1
1 550 . 9 1 1 A 49 49 LYS H H 49 8.127 7.467 0.660 1
1 551 . 9 1 1 A 49 49 LYS CA C 49 59.436 59.110 0.326 1
1 552 . 9 1 1 A 49 49 LYS HA H 49 4.008 4.117 -0.109 1
1 553 . 9 1 1 A 49 49 LYS CB C 49 32.661 32.628 0.033 1
1 565 . 9 1 1 A 49 49 LYS C C 49 179.567 179.077 0.490 1
1 566 . 9 1 1 A 50 50 GLN N N 50 119.324 118.726 0.598 1
1 567 . 9 1 1 A 50 50 GLN H H 50 7.753 7.660 0.093 1
1 568 . 9 1 1 A 50 50 GLN CA C 50 58.938 58.560 0.378 1
1 569 . 9 1 1 A 50 50 GLN HA H 50 4.191 4.126 0.065 1
1 570 . 9 1 1 A 50 50 GLN CB C 50 29.389 28.508 0.881 1
1 579 . 9 1 1 A 50 50 GLN C C 50 180.097 178.438 1.659 1
1 580 . 9 1 1 A 51 51 VAL N N 51 120.881 121.337 -0.456 1
1 581 . 9 1 1 A 51 51 VAL H H 51 8.397 7.668 0.729 1
1 582 . 9 1 1 A 51 51 VAL CA C 51 67.510 65.876 1.634 1
1 583 . 9 1 1 A 51 51 VAL HA H 51 3.491 3.807 -0.316 1
1 584 . 9 1 1 A 51 51 VAL CB C 51 31.871 31.285 0.586 1
1 594 . 9 1 1 A 51 51 VAL C C 51 176.150 177.436 -1.286 1
1 595 . 9 1 1 A 52 52 ALA N N 52 120.695 122.597 -1.902 1
1 596 . 9 1 1 A 52 52 ALA H H 52 8.057 8.106 -0.049 1
1 597 . 9 1 1 A 52 52 ALA CA C 52 55.307 55.028 0.279 1
1 598 . 9 1 1 A 52 52 ALA HA H 52 2.379 2.760 -0.381 1
1 599 . 9 1 1 A 52 52 ALA CB C 52 17.410 17.940 -0.530 1
1 603 . 9 1 1 A 52 52 ALA C C 52 180.088 178.901 1.187 1
1 604 . 9 1 1 A 53 53 SER N N 53 110.953 113.322 -2.369 1
1 605 . 9 1 1 A 53 53 SER H H 53 7.653 7.828 -0.175 1
1 606 . 9 1 1 A 53 53 SER CA C 53 61.291 61.204 0.087 1
1 607 . 9 1 1 A 53 53 SER HA H 53 4.049 4.062 -0.013 1
1 608 . 9 1 1 A 53 53 SER CB C 53 63.032 62.799 0.233 1
1 610 . 9 1 1 A 53 53 SER C C 53 180.076 176.160 3.916 1
1 611 . 9 1 1 A 54 54 GLN N N 54 123.306 121.674 1.632 1
1 612 . 9 1 1 A 54 54 GLN H H 54 7.615 7.525 0.090 1
1 613 . 9 1 1 A 54 54 GLN CA C 54 57.843 58.245 -0.402 1
1 614 . 9 1 1 A 54 54 GLN HA H 54 3.844 3.679 0.165 1
1 615 . 9 1 1 A 54 54 GLN CB C 54 27.422 27.942 -0.520 1
1 624 . 9 1 1 A 55 55 VAL N N 55 119.150 119.460 -0.310 1
1 625 . 9 1 1 A 55 55 VAL H H 55 8.266 8.024 0.242 1
1 626 . 9 1 1 A 55 55 VAL CA C 55 66.491 66.332 0.159 1
1 627 . 9 1 1 A 55 55 VAL HA H 55 3.417 3.470 -0.053 1
1 628 . 9 1 1 A 55 55 VAL CB C 55 31.306 31.251 0.055 1
1 638 . 9 1 1 A 55 55 VAL C C 55 177.640 177.954 -0.314 1
1 639 . 9 1 1 A 56 56 GLN N N 56 116.992 118.878 -1.886 1
1 640 . 9 1 1 A 56 56 GLN H H 56 7.578 7.388 0.190 1
1 641 . 9 1 1 A 56 56 GLN CA C 56 58.616 59.062 -0.446 1
1 642 . 9 1 1 A 56 56 GLN HA H 56 3.964 3.961 0.003 1
1 643 . 9 1 1 A 56 56 GLN CB C 56 28.115 28.396 -0.281 1
1 652 . 9 1 1 A 56 56 GLN C C 56 177.976 178.017 -0.041 1
1 653 . 9 1 1 A 57 57 LYS N N 57 117.073 117.240 -0.167 1
1 654 . 9 1 1 A 57 57 LYS H H 57 7.378 7.832 -0.454 1
1 655 . 9 1 1 A 57 57 LYS CA C 57 58.958 57.228 1.730 1
1 656 . 9 1 1 A 57 57 LYS HA H 57 3.897 4.299 -0.402 1
1 657 . 9 1 1 A 57 57 LYS CB C 57 32.837 32.367 0.470 1
1 669 . 9 1 1 A 57 57 LYS C C 57 178.237 177.025 1.212 1
1 670 . 9 1 1 A 58 58 TYR N N 58 117.398 118.169 -0.771 1
1 671 . 9 1 1 A 58 58 TYR H H 58 7.722 7.969 -0.247 1
1 672 . 9 1 1 A 58 58 TYR CA C 58 59.231 59.084 0.147 1
1 673 . 9 1 1 A 58 58 TYR HA H 58 4.422 4.641 -0.219 1
1 674 . 9 1 1 A 58 58 TYR CB C 58 38.850 40.222 -1.372 1
1 685 . 9 1 1 A 58 58 TYR C C 58 176.329 176.476 -0.147 1
1 686 . 9 1 1 A 59 59 PHE N N 59 118.720 116.198 2.522 1
1 687 . 9 1 1 A 59 59 PHE H H 59 8.197 8.114 0.083 1
1 688 . 9 1 1 A 59 59 PHE CA C 59 59.396 59.121 0.275 1
1 689 . 9 1 1 A 59 59 PHE HA H 59 4.487 4.592 -0.105 1
1 690 . 9 1 1 A 59 59 PHE CB C 59 39.309 40.075 -0.766 1
1 703 . 9 1 1 A 59 59 PHE C C 59 177.355 177.214 0.141 1
1 704 . 9 1 1 A 60 60 ILE N N 60 120.989 119.851 1.138 1
1 705 . 9 1 1 A 60 60 ILE H H 60 7.940 8.073 -0.133 1
1 706 . 9 1 1 A 60 60 ILE CA C 60 63.239 64.803 -1.564 1
1 707 . 9 1 1 A 60 60 ILE HA H 60 3.937 3.716 0.221 1
1 708 . 9 1 1 A 60 60 ILE CB C 60 38.017 37.468 0.549 1
1 721 . 9 1 1 A 60 60 ILE C C 60 177.197 177.941 -0.744 1
1 722 . 9 1 1 A 61 61 LYS N N 61 122.558 120.794 1.764 1
1 723 . 9 1 1 A 61 61 LYS H H 61 8.056 7.890 0.166 1
1 724 . 9 1 1 A 61 61 LYS CA C 61 57.840 60.013 -2.173 1
1 725 . 9 1 1 A 61 61 LYS HA H 61 4.158 3.956 0.202 1
1 726 . 9 1 1 A 61 61 LYS CB C 61 32.480 32.240 0.240 1
1 738 . 9 1 1 A 61 61 LYS C C 61 177.737 178.576 -0.839 1
1 739 . 9 1 1 A 62 62 LEU N N 62 120.763 119.270 1.493 1
1 740 . 9 1 1 A 62 62 LEU H H 62 8.145 8.019 0.126 1
1 741 . 9 1 1 A 62 62 LEU CA C 62 55.989 58.052 -2.063 1
1 742 . 9 1 1 A 62 62 LEU HA H 62 4.302 3.887 0.415 1
1 743 . 9 1 1 A 62 62 LEU CB C 62 42.379 41.577 0.802 1
1 756 . 9 1 1 A 62 62 LEU C C 62 178.178 177.595 0.583 1
1 757 . 9 1 1 A 63 63 THR N N 63 113.377 114.147 -0.770 1
1 758 . 9 1 1 A 63 63 THR H H 63 8.043 7.709 0.334 1
1 759 . 9 1 1 A 63 63 THR CA C 63 63.007 62.610 0.397 1
1 760 . 9 1 1 A 63 63 THR HA H 63 4.285 4.189 0.096 1
1 761 . 9 1 1 A 63 63 THR CB C 63 70.153 69.846 0.307 1
1 767 . 9 1 1 A 63 63 THR C C 63 175.775 174.803 0.972 1
1 768 . 9 1 1 A 64 64 LYS N N 64 122.961 126.018 -3.057 1
1 769 . 9 1 1 A 64 64 LYS H H 64 8.333 8.313 0.020 1
1 770 . 9 1 1 A 64 64 LYS CA C 64 57.298 57.547 -0.249 1
1 771 . 9 1 1 A 64 64 LYS HA H 64 4.218 4.111 0.107 1
1 772 . 9 1 1 A 64 64 LYS CB C 64 32.578 32.635 -0.057 1
1 784 . 9 1 1 A 64 64 LYS C C 64 176.684 176.741 -0.057 1
1 785 . 9 1 1 A 65 65 ALA N N 65 123.107 126.520 -3.413 1
1 786 . 9 1 1 A 65 65 ALA H H 65 8.024 8.436 -0.412 1
1 787 . 9 1 1 A 65 65 ALA CA C 65 52.597 53.077 -0.480 1
1 788 . 9 1 1 A 65 65 ALA HA H 65 4.323 4.283 0.040 1
1 789 . 9 1 1 A 65 65 ALA CB C 65 19.229 18.975 0.254 1
1 793 . 9 1 1 A 65 65 ALA C C 65 178.017 178.195 -0.178 1
1 794 . 9 1 1 A 66 66 GLY N N 66 107.464 110.343 -2.879 1
1 795 . 9 1 1 A 66 66 GLY H H 66 8.165 8.818 -0.653 1
1 796 . 9 1 1 A 66 66 GLY CA C 66 45.223 45.280 -0.057 1
1 797 . 9 1 1 A 66 66 GLY HA2 H 66 3.955 4.041 -0.086 1
1 798 . 9 1 1 A 66 66 GLY HA3 H 66 3.888 4.041 -0.153 1
1 799 . 9 1 1 A 66 66 GLY C C 66 173.809 173.945 -0.136 1
1 800 . 9 1 1 A 67 67 ILE N N 67 121.784 120.714 1.070 1
1 801 . 9 1 1 A 67 67 ILE H H 67 7.825 7.848 -0.023 1
1 802 . 9 1 1 A 67 67 ILE CA C 67 58.397 57.639 0.758 1
1 803 . 9 1 1 A 67 67 ILE HA H 67 4.457 4.542 -0.085 1
1 804 . 9 1 1 A 67 67 ILE CB C 67 38.622 41.089 -2.467 1
1 817 . 9 1 1 A 67 67 ILE C C 67 174.638 174.381 0.257 1
1 818 . 9 1 1 A 68 68 PRO CA C 68 63.157 62.718 0.439 1
1 819 . 9 1 1 A 68 68 PRO HA H 68 4.499 4.778 -0.279 1
1 820 . 9 1 1 A 68 68 PRO CB C 68 31.946 31.782 0.164 1
1 829 . 9 1 1 A 68 68 PRO C C 68 176.866 175.829 1.037 1
1 830 . 9 1 1 A 69 69 VAL N N 69 120.953 124.620 -3.667 1
1 831 . 9 1 1 A 69 69 VAL H H 69 8.269 8.672 -0.403 1
1 832 . 9 1 1 A 69 69 VAL CA C 69 62.460 61.270 1.190 1
1 833 . 9 1 1 A 69 69 VAL HA H 69 4.112 4.497 -0.385 1
1 834 . 9 1 1 A 69 69 VAL CB C 69 32.882 33.873 -0.991 1
1 844 . 9 1 1 A 69 69 VAL C C 69 176.217 175.516 0.701 1
1 845 . 9 1 1 A 70 70 SER N N 70 118.672 121.509 -2.837 1
1 846 . 9 1 1 A 70 70 SER H H 70 8.321 9.069 -0.748 1
1 847 . 9 1 1 A 70 70 SER CA C 70 58.127 58.948 -0.821 1
1 848 . 9 1 1 A 70 70 SER HA H 70 4.536 4.723 -0.187 1
1 849 . 9 1 1 A 70 70 SER CB C 70 64.051 65.692 -1.641 1
1 852 . 9 1 1 A 70 70 SER C C 70 174.419 175.037 -0.618 1
1 853 . 9 1 1 A 72 72 PRO CA C 72 63.221 63.367 -0.146 1
1 854 . 9 1 1 A 72 72 PRO HA H 72 4.480 4.401 0.079 1
1 855 . 9 1 1 A 72 72 PRO CB C 72 32.287 32.143 0.144 1
1 864 . 9 1 1 A 73 73 SER N N 73 116.355 118.013 -1.658 1
1 865 . 9 1 1 A 73 73 SER H H 73 8.521 8.981 -0.460 1
1 866 . 9 1 1 A 73 73 SER CA C 73 58.407 58.947 -0.540 1
1 867 . 9 1 1 A 73 73 SER HA H 73 4.580 4.156 0.424 1
1 868 . 9 1 1 A 73 73 SER CB C 73 63.942 61.796 2.146 1
1 1 . 10 1 1 A 9 9 GLN CA C 9 56.082 54.605 1.477 1
1 2 . 10 1 1 A 9 9 GLN HA H 9 4.326 4.788 -0.462 1
1 3 . 10 1 1 A 9 9 GLN CB C 9 29.035 29.607 -0.572 1
1 9 . 10 1 1 A 9 9 GLN C C 9 176.519 174.599 1.920 1
1 10 . 10 1 1 A 10 10 LEU N N 10 124.239 125.645 -1.406 1
1 11 . 10 1 1 A 10 10 LEU H H 10 8.287 8.490 -0.203 1
1 12 . 10 1 1 A 10 10 LEU CA C 10 55.553 54.192 1.361 1
1 13 . 10 1 1 A 10 10 LEU HA H 10 4.390 4.787 -0.397 1
1 14 . 10 1 1 A 10 10 LEU CB C 10 42.168 43.123 -0.955 1
1 27 . 10 1 1 A 10 10 LEU C C 10 177.357 177.586 -0.229 1
1 28 . 10 1 1 A 11 11 TRP N N 11 124.940 122.484 2.456 1
1 29 . 10 1 1 A 11 11 TRP H H 11 8.879 8.686 0.193 1
1 30 . 10 1 1 A 11 11 TRP CA C 11 56.849 58.104 -1.255 1
1 31 . 10 1 1 A 11 11 TRP HA H 11 4.668 4.816 -0.148 1
1 32 . 10 1 1 A 11 11 TRP CB C 11 28.603 30.104 -1.501 1
1 47 . 10 1 1 A 11 11 TRP C C 11 177.416 176.201 1.215 1
1 48 . 10 1 1 A 12 12 THR N N 12 115.857 114.725 1.132 1
1 49 . 10 1 1 A 12 12 THR H H 12 8.760 8.359 0.401 1
1 50 . 10 1 1 A 12 12 THR CA C 12 60.885 59.443 1.442 1
1 51 . 10 1 1 A 12 12 THR HA H 12 4.509 5.020 -0.511 1
1 52 . 10 1 1 A 12 12 THR CB C 12 71.142 70.746 0.396 1
1 58 . 10 1 1 A 12 12 THR C C 12 175.828 175.250 0.578 1
1 59 . 10 1 1 A 13 13 VAL N N 13 121.033 127.765 -6.732 1
1 60 . 10 1 1 A 13 13 VAL H H 13 8.782 8.899 -0.117 1
1 61 . 10 1 1 A 13 13 VAL CA C 13 66.558 65.397 1.161 1
1 62 . 10 1 1 A 13 13 VAL HA H 13 3.784 3.943 -0.159 1
1 63 . 10 1 1 A 13 13 VAL CB C 13 31.659 31.945 -0.286 1
1 73 . 10 1 1 A 13 13 VAL C C 13 178.595 177.565 1.030 1
1 74 . 10 1 1 A 14 14 GLU N N 14 119.290 122.022 -2.732 1
1 75 . 10 1 1 A 14 14 GLU H H 14 8.586 8.488 0.098 1
1 76 . 10 1 1 A 14 14 GLU CA C 14 60.285 60.073 0.212 1
1 77 . 10 1 1 A 14 14 GLU HA H 14 4.024 3.962 0.062 1
1 78 . 10 1 1 A 14 14 GLU CB C 14 29.039 29.426 -0.387 1
1 84 . 10 1 1 A 14 14 GLU C C 14 179.736 179.729 0.007 1
1 85 . 10 1 1 A 15 15 GLU N N 15 121.533 120.152 1.381 1
1 86 . 10 1 1 A 15 15 GLU H H 15 7.934 8.334 -0.400 1
1 87 . 10 1 1 A 15 15 GLU CA C 15 59.834 59.151 0.683 1
1 88 . 10 1 1 A 15 15 GLU HA H 15 3.990 4.249 -0.259 1
1 89 . 10 1 1 A 15 15 GLU CB C 15 31.315 30.056 1.259 1
1 95 . 10 1 1 A 15 15 GLU C C 15 178.886 179.359 -0.473 1
1 96 . 10 1 1 A 16 16 GLN N N 16 119.475 119.428 0.047 1
1 97 . 10 1 1 A 16 16 GLN H H 16 8.595 8.766 -0.171 1
1 98 . 10 1 1 A 16 16 GLN CA C 16 59.369 59.622 -0.253 1
1 99 . 10 1 1 A 16 16 GLN HA H 16 4.104 4.217 -0.113 1
1 100 . 10 1 1 A 16 16 GLN CB C 16 28.376 28.424 -0.048 1
1 109 . 10 1 1 A 16 16 GLN C C 16 178.548 178.624 -0.076 1
1 110 . 10 1 1 A 17 17 LYS N N 17 119.404 118.730 0.674 1
1 111 . 10 1 1 A 17 17 LYS H H 17 8.241 7.962 0.279 1
1 112 . 10 1 1 A 17 17 LYS CA C 17 59.175 59.466 -0.291 1
1 113 . 10 1 1 A 17 17 LYS HA H 17 4.103 4.129 -0.026 1
1 114 . 10 1 1 A 17 17 LYS CB C 17 31.980 32.073 -0.093 1
1 126 . 10 1 1 A 17 17 LYS C C 17 179.663 179.078 0.585 1
1 127 . 10 1 1 A 18 18 LYS N N 18 120.546 119.711 0.835 1
1 128 . 10 1 1 A 18 18 LYS H H 18 7.852 7.521 0.331 1
1 129 . 10 1 1 A 18 18 LYS CA C 18 59.432 59.625 -0.193 1
1 130 . 10 1 1 A 18 18 LYS HA H 18 4.157 4.152 0.005 1
1 131 . 10 1 1 A 18 18 LYS CB C 18 32.166 32.234 -0.068 1
1 143 . 10 1 1 A 18 18 LYS C C 18 179.003 178.780 0.223 1
1 144 . 10 1 1 A 19 19 LEU N N 19 120.782 120.936 -0.154 1
1 145 . 10 1 1 A 19 19 LEU H H 19 8.639 8.736 -0.097 1
1 146 . 10 1 1 A 19 19 LEU CA C 19 58.729 58.411 0.318 1
1 147 . 10 1 1 A 19 19 LEU HA H 19 4.042 4.176 -0.134 1
1 148 . 10 1 1 A 19 19 LEU CB C 19 41.465 41.776 -0.311 1
1 161 . 10 1 1 A 19 19 LEU C C 19 177.410 178.798 -1.388 1
1 162 . 10 1 1 A 20 20 GLU N N 20 116.982 117.819 -0.837 1
1 163 . 10 1 1 A 20 20 GLU H H 20 7.981 8.145 -0.164 1
1 164 . 10 1 1 A 20 20 GLU CA C 20 60.285 59.837 0.448 1
1 165 . 10 1 1 A 20 20 GLU HA H 20 3.647 4.083 -0.436 1
1 166 . 10 1 1 A 20 20 GLU CB C 20 29.612 29.350 0.262 1
1 172 . 10 1 1 A 20 20 GLU C C 20 179.066 179.528 -0.462 1
1 173 . 10 1 1 A 21 21 GLN N N 21 115.877 119.012 -3.135 1
1 174 . 10 1 1 A 21 21 GLN H H 21 7.518 7.569 -0.051 1
1 175 . 10 1 1 A 21 21 GLN CA C 21 58.409 58.896 -0.487 1
1 176 . 10 1 1 A 21 21 GLN HA H 21 4.112 4.087 0.025 1
1 177 . 10 1 1 A 21 21 GLN CB C 21 28.405 28.228 0.177 1
1 186 . 10 1 1 A 21 21 GLN C C 21 180.271 178.821 1.450 1
1 187 . 10 1 1 A 22 22 LEU N N 22 123.461 121.084 2.377 1
1 188 . 10 1 1 A 22 22 LEU H H 22 8.775 8.033 0.742 1
1 189 . 10 1 1 A 22 22 LEU CA C 22 57.782 58.172 -0.390 1
1 190 . 10 1 1 A 22 22 LEU HA H 22 4.243 4.113 0.130 1
1 191 . 10 1 1 A 22 22 LEU CB C 22 42.687 42.145 0.542 1
1 204 . 10 1 1 A 22 22 LEU C C 22 178.112 178.936 -0.824 1
1 205 . 10 1 1 A 23 23 LEU N N 23 119.576 117.897 1.679 1
1 206 . 10 1 1 A 23 23 LEU H H 23 8.260 8.723 -0.463 1
1 207 . 10 1 1 A 23 23 LEU CA C 23 57.281 58.451 -1.170 1
1 208 . 10 1 1 A 23 23 LEU HA H 23 4.174 4.088 0.086 1
1 209 . 10 1 1 A 23 23 LEU CB C 23 42.175 41.945 0.230 1
1 222 . 10 1 1 A 23 23 LEU C C 23 177.927 179.127 -1.200 1
1 223 . 10 1 1 A 24 24 ILE N N 24 116.614 119.711 -3.097 1
1 224 . 10 1 1 A 24 24 ILE H H 24 6.949 7.815 -0.866 1
1 225 . 10 1 1 A 24 24 ILE CA C 24 62.755 65.011 -2.256 1
1 226 . 10 1 1 A 24 24 ILE HA H 24 3.787 3.637 0.150 1
1 227 . 10 1 1 A 24 24 ILE CB C 24 38.208 37.514 0.694 1
1 240 . 10 1 1 A 24 24 ILE C C 24 177.066 178.125 -1.059 1
1 241 . 10 1 1 A 25 25 LYS N N 25 121.060 122.056 -0.996 1
1 242 . 10 1 1 A 25 25 LYS H H 25 7.421 8.114 -0.693 1
1 243 . 10 1 1 A 25 25 LYS CA C 25 59.281 58.791 0.490 1
1 244 . 10 1 1 A 25 25 LYS HA H 25 3.726 3.961 -0.235 1
1 245 . 10 1 1 A 25 25 LYS CB C 25 34.011 32.294 1.717 1
1 257 . 10 1 1 A 25 25 LYS C C 25 175.900 176.130 -0.230 1
1 258 . 10 1 1 A 26 26 TYR N N 26 117.015 116.658 0.357 1
1 259 . 10 1 1 A 26 26 TYR H H 26 8.124 8.547 -0.423 1
1 260 . 10 1 1 A 26 26 TYR CA C 26 54.995 55.011 -0.016 1
1 261 . 10 1 1 A 26 26 TYR HA H 26 4.988 4.980 0.008 1
1 262 . 10 1 1 A 26 26 TYR CB C 26 37.055 38.591 -1.536 1
1 273 . 10 1 1 A 27 27 PRO CA C 27 62.102 61.664 0.438 1
1 274 . 10 1 1 A 27 27 PRO HA H 27 4.833 4.706 0.127 1
1 275 . 10 1 1 A 27 27 PRO CB C 27 30.960 31.751 -0.791 1
1 284 . 10 1 1 A 28 28 PRO CA C 28 64.218 62.651 1.567 1
1 285 . 10 1 1 A 28 28 PRO HA H 28 4.127 4.547 -0.420 1
1 286 . 10 1 1 A 28 28 PRO CB C 28 31.726 31.730 -0.004 1
1 295 . 10 1 1 A 28 28 PRO C C 28 175.552 176.705 -1.153 1
1 296 . 10 1 1 A 29 29 GLU N N 29 120.378 118.900 1.478 1
1 297 . 10 1 1 A 29 29 GLU H H 29 8.473 8.369 0.104 1
1 298 . 10 1 1 A 29 29 GLU CA C 29 54.425 54.662 -0.237 1
1 299 . 10 1 1 A 29 29 GLU HA H 29 4.734 4.497 0.237 1
1 300 . 10 1 1 A 29 29 GLU CB C 29 33.430 30.711 2.719 1
1 306 . 10 1 1 A 29 29 GLU C C 29 175.244 177.858 -2.614 1
1 307 . 10 1 1 A 30 30 GLU N N 30 120.351 119.051 1.300 1
1 308 . 10 1 1 A 30 30 GLU H H 30 8.502 8.899 -0.397 1
1 309 . 10 1 1 A 30 30 GLU CA C 30 60.066 59.286 0.780 1
1 310 . 10 1 1 A 30 30 GLU HA H 30 3.898 4.089 -0.191 1
1 311 . 10 1 1 A 30 30 GLU CB C 30 30.038 29.070 0.968 1
1 317 . 10 1 1 A 30 30 GLU C C 30 177.211 176.807 0.404 1
1 318 . 10 1 1 A 31 31 VAL N N 31 119.224 117.933 1.291 1
1 319 . 10 1 1 A 31 31 VAL H H 31 8.363 8.081 0.282 1
1 320 . 10 1 1 A 31 31 VAL CA C 31 61.327 61.164 0.163 1
1 321 . 10 1 1 A 31 31 VAL HA H 31 4.154 4.536 -0.382 1
1 322 . 10 1 1 A 31 31 VAL CB C 31 30.937 34.385 -3.448 1
1 332 . 10 1 1 A 31 31 VAL C C 31 176.298 175.441 0.857 1
1 333 . 10 1 1 A 32 32 GLU N N 32 128.219 122.434 5.785 1
1 334 . 10 1 1 A 32 32 GLU H H 32 8.453 8.544 -0.091 1
1 335 . 10 1 1 A 32 32 GLU CA C 32 59.610 57.377 2.233 1
1 336 . 10 1 1 A 32 32 GLU HA H 32 3.729 3.977 -0.248 1
1 337 . 10 1 1 A 32 32 GLU CB C 32 29.649 30.669 -1.020 1
1 342 . 10 1 1 A 32 32 GLU C C 32 177.405 178.040 -0.635 1
1 343 . 10 1 1 A 33 33 SER N N 33 111.772 117.508 -5.736 1
1 344 . 10 1 1 A 33 33 SER H H 33 8.368 7.993 0.375 1
1 345 . 10 1 1 A 33 33 SER CA C 33 61.378 60.862 0.516 1
1 346 . 10 1 1 A 33 33 SER HA H 33 4.087 4.540 -0.453 1
1 347 . 10 1 1 A 33 33 SER CB C 33 61.842 63.236 -1.394 1
1 350 . 10 1 1 A 33 33 SER C C 33 177.086 175.436 1.650 1
1 351 . 10 1 1 A 34 34 ARG N N 34 121.109 121.265 -0.156 1
1 352 . 10 1 1 A 34 34 ARG H H 34 7.445 7.498 -0.053 1
1 353 . 10 1 1 A 34 34 ARG CA C 34 58.682 58.588 0.094 1
1 354 . 10 1 1 A 34 34 ARG HA H 34 4.067 4.138 -0.071 1
1 355 . 10 1 1 A 34 34 ARG CB C 34 30.095 30.627 -0.532 1
1 364 . 10 1 1 A 34 34 ARG C C 34 178.697 178.455 0.242 1
1 365 . 10 1 1 A 35 35 ARG N N 35 122.297 119.230 3.067 1
1 366 . 10 1 1 A 35 35 ARG H H 35 6.826 7.597 -0.771 1
1 367 . 10 1 1 A 35 35 ARG CA C 35 59.479 58.595 0.884 1
1 368 . 10 1 1 A 35 35 ARG HA H 35 3.718 3.748 -0.030 1
1 369 . 10 1 1 A 35 35 ARG CB C 35 30.578 29.376 1.202 1
1 380 . 10 1 1 A 35 35 ARG C C 35 178.318 178.611 -0.293 1
1 381 . 10 1 1 A 36 36 TRP N N 36 115.557 120.258 -4.701 1
1 382 . 10 1 1 A 36 36 TRP H H 36 7.702 7.508 0.194 1
1 383 . 10 1 1 A 36 36 TRP CA C 36 58.127 59.923 -1.796 1
1 384 . 10 1 1 A 36 36 TRP HA H 36 4.929 4.340 0.589 1
1 385 . 10 1 1 A 36 36 TRP CB C 36 30.618 29.370 1.248 1
1 400 . 10 1 1 A 36 36 TRP C C 36 178.742 178.730 0.012 1
1 401 . 10 1 1 A 37 37 GLN N N 37 117.116 119.866 -2.750 1
1 402 . 10 1 1 A 37 37 GLN H H 37 7.923 8.186 -0.263 1
1 403 . 10 1 1 A 37 37 GLN CA C 37 58.501 58.907 -0.406 1
1 404 . 10 1 1 A 37 37 GLN HA H 37 3.950 3.982 -0.032 1
1 405 . 10 1 1 A 37 37 GLN CB C 37 28.719 28.394 0.325 1
1 414 . 10 1 1 A 37 37 GLN C C 37 177.079 178.415 -1.336 1
1 415 . 10 1 1 A 38 38 LYS N N 38 119.256 117.528 1.728 1
1 416 . 10 1 1 A 38 38 LYS H H 38 7.543 7.148 0.395 1
1 417 . 10 1 1 A 38 38 LYS CA C 38 59.855 59.037 0.818 1
1 418 . 10 1 1 A 38 38 LYS HA H 38 3.875 3.915 -0.040 1
1 419 . 10 1 1 A 38 38 LYS CB C 38 31.717 31.707 0.010 1
1 431 . 10 1 1 A 38 38 LYS C C 38 179.773 178.904 0.869 1
1 432 . 10 1 1 A 39 39 ILE N N 39 117.818 120.814 -2.996 1
1 433 . 10 1 1 A 39 39 ILE H H 39 7.614 7.561 0.053 1
1 434 . 10 1 1 A 39 39 ILE CA C 39 66.296 65.750 0.546 1
1 435 . 10 1 1 A 39 39 ILE HA H 39 3.534 3.371 0.163 1
1 436 . 10 1 1 A 39 39 ILE CB C 39 38.526 38.286 0.240 1
1 449 . 10 1 1 A 39 39 ILE C C 39 177.376 177.923 -0.547 1
1 450 . 10 1 1 A 40 40 ALA N N 40 122.394 122.483 -0.089 1
1 451 . 10 1 1 A 40 40 ALA H H 40 8.680 8.748 -0.068 1
1 452 . 10 1 1 A 40 40 ALA CA C 40 56.117 55.745 0.372 1
1 453 . 10 1 1 A 40 40 ALA HA H 40 3.732 3.990 -0.258 1
1 454 . 10 1 1 A 40 40 ALA CB C 40 17.581 18.445 -0.864 1
1 458 . 10 1 1 A 40 40 ALA C C 40 180.101 178.755 1.346 1
1 459 . 10 1 1 A 41 41 ASP N N 41 117.487 118.430 -0.943 1
1 460 . 10 1 1 A 41 41 ASP H H 41 8.516 8.253 0.263 1
1 461 . 10 1 1 A 41 41 ASP CA C 41 57.069 57.780 -0.711 1
1 462 . 10 1 1 A 41 41 ASP HA H 41 4.425 4.324 0.101 1
1 463 . 10 1 1 A 41 41 ASP CB C 41 40.176 41.234 -1.058 1
1 466 . 10 1 1 A 41 41 ASP C C 41 178.731 178.565 0.166 1
1 467 . 10 1 1 A 42 42 GLU N N 42 118.631 118.261 0.370 1
1 468 . 10 1 1 A 42 42 GLU H H 42 7.391 8.024 -0.633 1
1 469 . 10 1 1 A 42 42 GLU CA C 42 59.678 59.358 0.320 1
1 470 . 10 1 1 A 42 42 GLU HA H 42 4.246 4.040 0.206 1
1 471 . 10 1 1 A 42 42 GLU CB C 42 29.612 29.474 0.138 1
1 477 . 10 1 1 A 42 42 GLU C C 42 178.559 179.303 -0.744 1
1 478 . 10 1 1 A 43 43 LEU N N 43 120.834 119.309 1.525 1
1 479 . 10 1 1 A 43 43 LEU H H 43 8.247 7.493 0.754 1
1 480 . 10 1 1 A 43 43 LEU CA C 43 57.274 57.277 -0.003 1
1 481 . 10 1 1 A 43 43 LEU HA H 43 4.171 3.986 0.185 1
1 482 . 10 1 1 A 43 43 LEU CB C 43 42.237 42.600 -0.363 1
1 495 . 10 1 1 A 43 43 LEU C C 43 179.282 177.063 2.219 1
1 496 . 10 1 1 A 44 44 GLY N N 44 106.089 107.227 -1.138 1
1 497 . 10 1 1 A 44 44 GLY H H 44 8.218 8.117 0.101 1
1 498 . 10 1 1 A 44 44 GLY CA C 44 46.203 45.212 0.991 1
1 499 . 10 1 1 A 44 44 GLY HA2 H 44 3.738 3.962 -0.224 1
1 500 . 10 1 1 A 44 44 GLY HA3 H 44 4.181 3.964 0.217 1
1 501 . 10 1 1 A 44 44 GLY C C 44 174.363 174.826 -0.463 1
1 502 . 10 1 1 A 45 45 ASN N N 45 117.303 117.831 -0.528 1
1 503 . 10 1 1 A 45 45 ASN H H 45 8.060 8.244 -0.184 1
1 504 . 10 1 1 A 45 45 ASN CA C 45 52.872 55.142 -2.270 1
1 505 . 10 1 1 A 45 45 ASN HA H 45 4.637 4.472 0.165 1
1 506 . 10 1 1 A 45 45 ASN CB C 45 38.017 38.624 -0.607 1
1 512 . 10 1 1 A 45 45 ASN C C 45 174.403 175.540 -1.137 1
1 513 . 10 1 1 A 46 46 ARG N N 46 115.501 118.527 -3.026 1
1 514 . 10 1 1 A 46 46 ARG H H 46 7.091 7.660 -0.569 1
1 515 . 10 1 1 A 46 46 ARG CA C 46 52.521 55.067 -2.546 1
1 516 . 10 1 1 A 46 46 ARG HA H 46 4.948 4.490 0.458 1
1 517 . 10 1 1 A 46 46 ARG CB C 46 35.298 31.534 3.764 1
1 528 . 10 1 1 A 46 46 ARG C C 46 175.373 175.273 0.100 1
1 529 . 10 1 1 A 47 47 THR N N 47 110.043 111.146 -1.103 1
1 530 . 10 1 1 A 47 47 THR H H 47 8.411 8.374 0.037 1
1 531 . 10 1 1 A 47 47 THR CA C 47 59.643 59.255 0.388 1
1 532 . 10 1 1 A 47 47 THR HA H 47 4.602 4.883 -0.281 1
1 533 . 10 1 1 A 47 47 THR CB C 47 71.307 72.378 -1.071 1
1 539 . 10 1 1 A 47 47 THR C C 47 175.891 175.324 0.567 1
1 540 . 10 1 1 A 48 48 ALA N N 48 123.448 125.381 -1.933 1
1 541 . 10 1 1 A 48 48 ALA H H 48 9.205 9.041 0.164 1
1 542 . 10 1 1 A 48 48 ALA CA C 48 55.820 55.844 -0.024 1
1 543 . 10 1 1 A 48 48 ALA HA H 48 3.869 4.095 -0.226 1
1 544 . 10 1 1 A 48 48 ALA CB C 48 17.997 18.561 -0.564 1
1 548 . 10 1 1 A 48 48 ALA C C 48 179.731 179.704 0.027 1
1 549 . 10 1 1 A 49 49 LYS N N 49 117.235 117.682 -0.447 1
1 550 . 10 1 1 A 49 49 LYS H H 49 8.127 8.293 -0.166 1
1 551 . 10 1 1 A 49 49 LYS CA C 49 59.436 59.531 -0.095 1
1 552 . 10 1 1 A 49 49 LYS HA H 49 4.008 3.877 0.131 1
1 553 . 10 1 1 A 49 49 LYS CB C 49 32.661 32.202 0.459 1
1 565 . 10 1 1 A 49 49 LYS C C 49 179.567 179.113 0.454 1
1 566 . 10 1 1 A 50 50 GLN N N 50 119.324 118.972 0.352 1
1 567 . 10 1 1 A 50 50 GLN H H 50 7.753 7.773 -0.020 1
1 568 . 10 1 1 A 50 50 GLN CA C 50 58.938 59.233 -0.295 1
1 569 . 10 1 1 A 50 50 GLN HA H 50 4.191 3.996 0.195 1
1 570 . 10 1 1 A 50 50 GLN CB C 50 29.389 28.411 0.978 1
1 579 . 10 1 1 A 50 50 GLN C C 50 180.097 178.410 1.687 1
1 580 . 10 1 1 A 51 51 VAL N N 51 120.881 120.412 0.469 1
1 581 . 10 1 1 A 51 51 VAL H H 51 8.397 8.388 0.009 1
1 582 . 10 1 1 A 51 51 VAL CA C 51 67.510 66.139 1.371 1
1 583 . 10 1 1 A 51 51 VAL HA H 51 3.491 3.698 -0.207 1
1 584 . 10 1 1 A 51 51 VAL CB C 51 31.871 31.492 0.379 1
1 594 . 10 1 1 A 51 51 VAL C C 51 176.150 177.650 -1.500 1
1 595 . 10 1 1 A 52 52 ALA N N 52 120.695 121.913 -1.218 1
1 596 . 10 1 1 A 52 52 ALA H H 52 8.057 8.259 -0.202 1
1 597 . 10 1 1 A 52 52 ALA CA C 52 55.307 54.817 0.490 1
1 598 . 10 1 1 A 52 52 ALA HA H 52 2.379 2.557 -0.178 1
1 599 . 10 1 1 A 52 52 ALA CB C 52 17.410 17.554 -0.144 1
1 603 . 10 1 1 A 52 52 ALA C C 52 180.088 179.546 0.542 1
1 604 . 10 1 1 A 53 53 SER N N 53 110.953 113.037 -2.084 1
1 605 . 10 1 1 A 53 53 SER H H 53 7.653 7.595 0.058 1
1 606 . 10 1 1 A 53 53 SER CA C 53 61.291 61.083 0.208 1
1 607 . 10 1 1 A 53 53 SER HA H 53 4.049 4.007 0.042 1
1 608 . 10 1 1 A 53 53 SER CB C 53 63.032 62.792 0.240 1
1 610 . 10 1 1 A 53 53 SER C C 53 180.076 176.828 3.248 1
1 611 . 10 1 1 A 54 54 GLN N N 54 123.306 120.360 2.946 1
1 612 . 10 1 1 A 54 54 GLN H H 54 7.615 7.652 -0.037 1
1 613 . 10 1 1 A 54 54 GLN CA C 54 57.843 58.271 -0.428 1
1 614 . 10 1 1 A 54 54 GLN HA H 54 3.844 3.798 0.046 1
1 615 . 10 1 1 A 54 54 GLN CB C 54 27.422 27.886 -0.464 1
1 624 . 10 1 1 A 55 55 VAL N N 55 119.150 119.931 -0.781 1
1 625 . 10 1 1 A 55 55 VAL H H 55 8.266 7.599 0.667 1
1 626 . 10 1 1 A 55 55 VAL CA C 55 66.491 66.225 0.266 1
1 627 . 10 1 1 A 55 55 VAL HA H 55 3.417 3.280 0.137 1
1 628 . 10 1 1 A 55 55 VAL CB C 55 31.306 31.532 -0.226 1
1 638 . 10 1 1 A 55 55 VAL C C 55 177.640 177.950 -0.310 1
1 639 . 10 1 1 A 56 56 GLN N N 56 116.992 119.218 -2.226 1
1 640 . 10 1 1 A 56 56 GLN H H 56 7.578 7.946 -0.368 1
1 641 . 10 1 1 A 56 56 GLN CA C 56 58.616 58.329 0.287 1
1 642 . 10 1 1 A 56 56 GLN HA H 56 3.964 4.073 -0.109 1
1 643 . 10 1 1 A 56 56 GLN CB C 56 28.115 28.570 -0.455 1
1 652 . 10 1 1 A 56 56 GLN C C 56 177.976 177.164 0.812 1
1 653 . 10 1 1 A 57 57 LYS N N 57 117.073 118.014 -0.941 1
1 654 . 10 1 1 A 57 57 LYS H H 57 7.378 7.858 -0.480 1
1 655 . 10 1 1 A 57 57 LYS CA C 57 58.958 56.911 2.047 1
1 656 . 10 1 1 A 57 57 LYS HA H 57 3.897 4.320 -0.423 1
1 657 . 10 1 1 A 57 57 LYS CB C 57 32.837 32.512 0.325 1
1 669 . 10 1 1 A 57 57 LYS C C 57 178.237 177.120 1.117 1
1 670 . 10 1 1 A 58 58 TYR N N 58 117.398 118.086 -0.688 1
1 671 . 10 1 1 A 58 58 TYR H H 58 7.722 8.426 -0.704 1
1 672 . 10 1 1 A 58 58 TYR CA C 58 59.231 58.972 0.259 1
1 673 . 10 1 1 A 58 58 TYR HA H 58 4.422 4.699 -0.277 1
1 674 . 10 1 1 A 58 58 TYR CB C 58 38.850 40.787 -1.937 1
1 685 . 10 1 1 A 58 58 TYR C C 58 176.329 176.647 -0.318 1
1 686 . 10 1 1 A 59 59 PHE N N 59 118.720 116.420 2.300 1
1 687 . 10 1 1 A 59 59 PHE H H 59 8.197 7.886 0.311 1
1 688 . 10 1 1 A 59 59 PHE CA C 59 59.396 58.860 0.536 1
1 689 . 10 1 1 A 59 59 PHE HA H 59 4.487 4.685 -0.198 1
1 690 . 10 1 1 A 59 59 PHE CB C 59 39.309 40.676 -1.367 1
1 703 . 10 1 1 A 59 59 PHE C C 59 177.355 176.726 0.629 1
1 704 . 10 1 1 A 60 60 ILE N N 60 120.989 120.436 0.553 1
1 705 . 10 1 1 A 60 60 ILE H H 60 7.940 7.885 0.055 1
1 706 . 10 1 1 A 60 60 ILE CA C 60 63.239 63.210 0.029 1
1 707 . 10 1 1 A 60 60 ILE HA H 60 3.937 4.066 -0.129 1
1 708 . 10 1 1 A 60 60 ILE CB C 60 38.017 38.092 -0.075 1
1 721 . 10 1 1 A 60 60 ILE C C 60 177.197 178.030 -0.833 1
1 722 . 10 1 1 A 61 61 LYS N N 61 122.558 123.520 -0.962 1
1 723 . 10 1 1 A 61 61 LYS H H 61 8.056 8.051 0.005 1
1 724 . 10 1 1 A 61 61 LYS CA C 61 57.840 59.233 -1.393 1
1 725 . 10 1 1 A 61 61 LYS HA H 61 4.158 4.029 0.129 1
1 726 . 10 1 1 A 61 61 LYS CB C 61 32.480 32.368 0.112 1
1 738 . 10 1 1 A 61 61 LYS C C 61 177.737 179.427 -1.690 1
1 739 . 10 1 1 A 62 62 LEU N N 62 120.763 118.375 2.388 1
1 740 . 10 1 1 A 62 62 LEU H H 62 8.145 7.842 0.303 1
1 741 . 10 1 1 A 62 62 LEU CA C 62 55.989 56.820 -0.831 1
1 742 . 10 1 1 A 62 62 LEU HA H 62 4.302 4.160 0.142 1
1 743 . 10 1 1 A 62 62 LEU CB C 62 42.379 41.725 0.654 1
1 756 . 10 1 1 A 62 62 LEU C C 62 178.178 176.860 1.318 1
1 757 . 10 1 1 A 63 63 THR N N 63 113.377 116.422 -3.045 1
1 758 . 10 1 1 A 63 63 THR H H 63 8.043 7.470 0.573 1
1 759 . 10 1 1 A 63 63 THR CA C 63 63.007 62.635 0.372 1
1 760 . 10 1 1 A 63 63 THR HA H 63 4.285 4.281 0.004 1
1 761 . 10 1 1 A 63 63 THR CB C 63 70.153 69.069 1.084 1
1 767 . 10 1 1 A 63 63 THR C C 63 175.775 173.586 2.189 1
1 768 . 10 1 1 A 64 64 LYS N N 64 122.961 122.243 0.718 1
1 769 . 10 1 1 A 64 64 LYS H H 64 8.333 8.731 -0.398 1
1 770 . 10 1 1 A 64 64 LYS CA C 64 57.298 55.359 1.939 1
1 771 . 10 1 1 A 64 64 LYS HA H 64 4.218 4.840 -0.622 1
1 772 . 10 1 1 A 64 64 LYS CB C 64 32.578 32.510 0.068 1
1 784 . 10 1 1 A 64 64 LYS C C 64 176.684 175.373 1.311 1
1 785 . 10 1 1 A 65 65 ALA N N 65 123.107 124.509 -1.402 1
1 786 . 10 1 1 A 65 65 ALA H H 65 8.024 8.076 -0.052 1
1 787 . 10 1 1 A 65 65 ALA CA C 65 52.597 50.564 2.033 1
1 788 . 10 1 1 A 65 65 ALA HA H 65 4.323 4.741 -0.418 1
1 789 . 10 1 1 A 65 65 ALA CB C 65 19.229 21.704 -2.475 1
1 793 . 10 1 1 A 65 65 ALA C C 65 178.017 177.541 0.476 1
1 794 . 10 1 1 A 66 66 GLY N N 66 107.464 105.903 1.561 1
1 795 . 10 1 1 A 66 66 GLY H H 66 8.165 8.779 -0.614 1
1 796 . 10 1 1 A 66 66 GLY CA C 66 45.223 47.201 -1.978 1
1 797 . 10 1 1 A 66 66 GLY HA2 H 66 3.955 3.846 0.109 1
1 798 . 10 1 1 A 66 66 GLY HA3 H 66 3.888 3.847 0.041 1
1 799 . 10 1 1 A 66 66 GLY C C 66 173.809 175.439 -1.630 1
1 800 . 10 1 1 A 67 67 ILE N N 67 121.784 122.196 -0.412 1
1 801 . 10 1 1 A 67 67 ILE H H 67 7.825 7.509 0.316 1
1 802 . 10 1 1 A 67 67 ILE CA C 67 58.397 60.390 -1.993 1
1 803 . 10 1 1 A 67 67 ILE HA H 67 4.457 4.118 0.339 1
1 804 . 10 1 1 A 67 67 ILE CB C 67 38.622 37.861 0.761 1
1 817 . 10 1 1 A 67 67 ILE C C 67 174.638 174.296 0.342 1
1 818 . 10 1 1 A 68 68 PRO CA C 68 63.157 62.748 0.409 1
1 819 . 10 1 1 A 68 68 PRO HA H 68 4.499 4.518 -0.019 1
1 820 . 10 1 1 A 68 68 PRO CB C 68 31.946 32.017 -0.071 1
1 829 . 10 1 1 A 68 68 PRO C C 68 176.866 176.309 0.557 1
1 830 . 10 1 1 A 69 69 VAL N N 69 120.953 122.334 -1.381 1
1 831 . 10 1 1 A 69 69 VAL H H 69 8.269 8.325 -0.056 1
1 832 . 10 1 1 A 69 69 VAL CA C 69 62.460 62.212 0.248 1
1 833 . 10 1 1 A 69 69 VAL HA H 69 4.112 4.276 -0.164 1
1 834 . 10 1 1 A 69 69 VAL CB C 69 32.882 32.436 0.446 1
1 844 . 10 1 1 A 69 69 VAL C C 69 176.217 174.747 1.470 1
1 845 . 10 1 1 A 70 70 SER N N 70 118.672 125.444 -6.772 1
1 846 . 10 1 1 A 70 70 SER H H 70 8.321 8.870 -0.549 1
1 847 . 10 1 1 A 70 70 SER CA C 70 58.127 57.134 0.993 1
1 848 . 10 1 1 A 70 70 SER HA H 70 4.536 5.412 -0.876 1
1 849 . 10 1 1 A 70 70 SER CB C 70 64.051 66.799 -2.748 1
1 852 . 10 1 1 A 70 70 SER C C 70 174.419 173.421 0.998 1
1 853 . 10 1 1 A 72 72 PRO CA C 72 63.221 63.447 -0.226 1
1 854 . 10 1 1 A 72 72 PRO HA H 72 4.480 4.379 0.101 1
1 855 . 10 1 1 A 72 72 PRO CB C 72 32.287 31.232 1.055 1
1 864 . 10 1 1 A 73 73 SER N N 73 116.355 113.280 3.075 1
1 865 . 10 1 1 A 73 73 SER H H 73 8.521 8.673 -0.152 1
1 866 . 10 1 1 A 73 73 SER CA C 73 58.407 59.183 -0.776 1
1 867 . 10 1 1 A 73 73 SER HA H 73 4.580 4.001 0.579 1
1 868 . 10 1 1 A 73 73 SER CB C 73 63.942 61.890 2.052 1
1 1 . 11 1 1 A 9 9 GLN CA C 9 56.082 55.109 0.973 1
1 2 . 11 1 1 A 9 9 GLN HA H 9 4.326 4.439 -0.113 1
1 3 . 11 1 1 A 9 9 GLN CB C 9 29.035 28.090 0.945 1
1 9 . 11 1 1 A 9 9 GLN C C 9 176.519 175.955 0.564 1
1 10 . 11 1 1 A 10 10 LEU N N 10 124.239 122.489 1.750 1
1 11 . 11 1 1 A 10 10 LEU H H 10 8.287 7.370 0.917 1
1 12 . 11 1 1 A 10 10 LEU CA C 10 55.553 55.204 0.349 1
1 13 . 11 1 1 A 10 10 LEU HA H 10 4.390 4.408 -0.018 1
1 14 . 11 1 1 A 10 10 LEU CB C 10 42.168 42.615 -0.447 1
1 27 . 11 1 1 A 10 10 LEU C C 10 177.357 176.540 0.817 1
1 28 . 11 1 1 A 11 11 TRP N N 11 124.940 122.958 1.982 1
1 29 . 11 1 1 A 11 11 TRP H H 11 8.879 9.233 -0.354 1
1 30 . 11 1 1 A 11 11 TRP CA C 11 56.849 55.615 1.234 1
1 31 . 11 1 1 A 11 11 TRP HA H 11 4.668 5.383 -0.715 1
1 32 . 11 1 1 A 11 11 TRP CB C 11 28.603 33.645 -5.042 1
1 47 . 11 1 1 A 11 11 TRP C C 11 177.416 174.850 2.566 1
1 48 . 11 1 1 A 12 12 THR N N 12 115.857 114.556 1.301 1
1 49 . 11 1 1 A 12 12 THR H H 12 8.760 8.634 0.126 1
1 50 . 11 1 1 A 12 12 THR CA C 12 60.885 59.528 1.357 1
1 51 . 11 1 1 A 12 12 THR HA H 12 4.509 4.940 -0.431 1
1 52 . 11 1 1 A 12 12 THR CB C 12 71.142 70.692 0.450 1
1 58 . 11 1 1 A 12 12 THR C C 12 175.828 175.278 0.550 1
1 59 . 11 1 1 A 13 13 VAL N N 13 121.033 126.520 -5.487 1
1 60 . 11 1 1 A 13 13 VAL H H 13 8.782 8.882 -0.100 1
1 61 . 11 1 1 A 13 13 VAL CA C 13 66.558 65.558 1.000 1
1 62 . 11 1 1 A 13 13 VAL HA H 13 3.784 3.949 -0.165 1
1 63 . 11 1 1 A 13 13 VAL CB C 13 31.659 31.798 -0.139 1
1 73 . 11 1 1 A 13 13 VAL C C 13 178.595 177.764 0.831 1
1 74 . 11 1 1 A 14 14 GLU N N 14 119.290 120.970 -1.680 1
1 75 . 11 1 1 A 14 14 GLU H H 14 8.586 8.542 0.044 1
1 76 . 11 1 1 A 14 14 GLU CA C 14 60.285 59.958 0.327 1
1 77 . 11 1 1 A 14 14 GLU HA H 14 4.024 3.997 0.027 1
1 78 . 11 1 1 A 14 14 GLU CB C 14 29.039 29.343 -0.304 1
1 84 . 11 1 1 A 14 14 GLU C C 14 179.736 179.486 0.250 1
1 85 . 11 1 1 A 15 15 GLU N N 15 121.533 119.916 1.617 1
1 86 . 11 1 1 A 15 15 GLU H H 15 7.934 7.850 0.084 1
1 87 . 11 1 1 A 15 15 GLU CA C 15 59.834 59.292 0.542 1
1 88 . 11 1 1 A 15 15 GLU HA H 15 3.990 4.240 -0.250 1
1 89 . 11 1 1 A 15 15 GLU CB C 15 31.315 29.625 1.690 1
1 95 . 11 1 1 A 15 15 GLU C C 15 178.886 179.590 -0.704 1
1 96 . 11 1 1 A 16 16 GLN N N 16 119.475 119.211 0.264 1
1 97 . 11 1 1 A 16 16 GLN H H 16 8.595 8.734 -0.139 1
1 98 . 11 1 1 A 16 16 GLN CA C 16 59.369 59.448 -0.079 1
1 99 . 11 1 1 A 16 16 GLN HA H 16 4.104 4.237 -0.133 1
1 100 . 11 1 1 A 16 16 GLN CB C 16 28.376 28.177 0.199 1
1 109 . 11 1 1 A 16 16 GLN C C 16 178.548 178.765 -0.217 1
1 110 . 11 1 1 A 17 17 LYS N N 17 119.404 118.952 0.452 1
1 111 . 11 1 1 A 17 17 LYS H H 17 8.241 8.117 0.124 1
1 112 . 11 1 1 A 17 17 LYS CA C 17 59.175 59.319 -0.144 1
1 113 . 11 1 1 A 17 17 LYS HA H 17 4.103 4.111 -0.008 1
1 114 . 11 1 1 A 17 17 LYS CB C 17 31.980 32.099 -0.119 1
1 126 . 11 1 1 A 17 17 LYS C C 17 179.663 178.877 0.786 1
1 127 . 11 1 1 A 18 18 LYS N N 18 120.546 119.581 0.965 1
1 128 . 11 1 1 A 18 18 LYS H H 18 7.852 7.923 -0.071 1
1 129 . 11 1 1 A 18 18 LYS CA C 18 59.432 59.575 -0.143 1
1 130 . 11 1 1 A 18 18 LYS HA H 18 4.157 4.138 0.019 1
1 131 . 11 1 1 A 18 18 LYS CB C 18 32.166 32.415 -0.249 1
1 143 . 11 1 1 A 18 18 LYS C C 18 179.003 178.552 0.451 1
1 144 . 11 1 1 A 19 19 LEU N N 19 120.782 120.259 0.523 1
1 145 . 11 1 1 A 19 19 LEU H H 19 8.639 8.708 -0.069 1
1 146 . 11 1 1 A 19 19 LEU CA C 19 58.729 58.921 -0.192 1
1 147 . 11 1 1 A 19 19 LEU HA H 19 4.042 4.097 -0.055 1
1 148 . 11 1 1 A 19 19 LEU CB C 19 41.465 42.099 -0.634 1
1 161 . 11 1 1 A 19 19 LEU C C 19 177.410 178.431 -1.021 1
1 162 . 11 1 1 A 20 20 GLU N N 20 116.982 118.055 -1.073 1
1 163 . 11 1 1 A 20 20 GLU H H 20 7.981 8.132 -0.151 1
1 164 . 11 1 1 A 20 20 GLU CA C 20 60.285 59.995 0.290 1
1 165 . 11 1 1 A 20 20 GLU HA H 20 3.647 4.138 -0.491 1
1 166 . 11 1 1 A 20 20 GLU CB C 20 29.612 29.380 0.232 1
1 172 . 11 1 1 A 20 20 GLU C C 20 179.066 179.276 -0.210 1
1 173 . 11 1 1 A 21 21 GLN N N 21 115.877 118.641 -2.764 1
1 174 . 11 1 1 A 21 21 GLN H H 21 7.518 7.914 -0.396 1
1 175 . 11 1 1 A 21 21 GLN CA C 21 58.409 58.883 -0.474 1
1 176 . 11 1 1 A 21 21 GLN HA H 21 4.112 4.036 0.076 1
1 177 . 11 1 1 A 21 21 GLN CB C 21 28.405 28.115 0.290 1
1 186 . 11 1 1 A 21 21 GLN C C 21 180.271 179.073 1.198 1
1 187 . 11 1 1 A 22 22 LEU N N 22 123.461 121.010 2.451 1
1 188 . 11 1 1 A 22 22 LEU H H 22 8.775 8.273 0.502 1
1 189 . 11 1 1 A 22 22 LEU CA C 22 57.782 58.338 -0.556 1
1 190 . 11 1 1 A 22 22 LEU HA H 22 4.243 4.257 -0.014 1
1 191 . 11 1 1 A 22 22 LEU CB C 22 42.687 41.626 1.061 1
1 204 . 11 1 1 A 22 22 LEU C C 22 178.112 179.530 -1.418 1
1 205 . 11 1 1 A 23 23 LEU N N 23 119.576 119.296 0.280 1
1 206 . 11 1 1 A 23 23 LEU H H 23 8.260 8.710 -0.450 1
1 207 . 11 1 1 A 23 23 LEU CA C 23 57.281 58.367 -1.086 1
1 208 . 11 1 1 A 23 23 LEU HA H 23 4.174 4.153 0.021 1
1 209 . 11 1 1 A 23 23 LEU CB C 23 42.175 42.109 0.066 1
1 222 . 11 1 1 A 23 23 LEU C C 23 177.927 179.316 -1.389 1
1 223 . 11 1 1 A 24 24 ILE N N 24 116.614 119.241 -2.627 1
1 224 . 11 1 1 A 24 24 ILE H H 24 6.949 7.828 -0.879 1
1 225 . 11 1 1 A 24 24 ILE CA C 24 62.755 64.620 -1.865 1
1 226 . 11 1 1 A 24 24 ILE HA H 24 3.787 3.779 0.008 1
1 227 . 11 1 1 A 24 24 ILE CB C 24 38.208 37.615 0.593 1
1 240 . 11 1 1 A 24 24 ILE C C 24 177.066 178.000 -0.934 1
1 241 . 11 1 1 A 25 25 LYS N N 25 121.060 122.448 -1.388 1
1 242 . 11 1 1 A 25 25 LYS H H 25 7.421 8.380 -0.959 1
1 243 . 11 1 1 A 25 25 LYS CA C 25 59.281 59.083 0.198 1
1 244 . 11 1 1 A 25 25 LYS HA H 25 3.726 4.083 -0.357 1
1 245 . 11 1 1 A 25 25 LYS CB C 25 34.011 32.348 1.663 1
1 257 . 11 1 1 A 25 25 LYS C C 25 175.900 176.116 -0.216 1
1 258 . 11 1 1 A 26 26 TYR N N 26 117.015 116.939 0.076 1
1 259 . 11 1 1 A 26 26 TYR H H 26 8.124 8.407 -0.283 1
1 260 . 11 1 1 A 26 26 TYR CA C 26 54.995 55.987 -0.992 1
1 261 . 11 1 1 A 26 26 TYR HA H 26 4.988 4.810 0.178 1
1 262 . 11 1 1 A 26 26 TYR CB C 26 37.055 39.390 -2.335 1
1 273 . 11 1 1 A 27 27 PRO CA C 27 62.102 61.666 0.436 1
1 274 . 11 1 1 A 27 27 PRO HA H 27 4.833 4.695 0.138 1
1 275 . 11 1 1 A 27 27 PRO CB C 27 30.960 31.750 -0.790 1
1 284 . 11 1 1 A 28 28 PRO CA C 28 64.218 62.516 1.702 1
1 285 . 11 1 1 A 28 28 PRO HA H 28 4.127 4.560 -0.433 1
1 286 . 11 1 1 A 28 28 PRO CB C 28 31.726 32.901 -1.175 1
1 295 . 11 1 1 A 28 28 PRO C C 28 175.552 176.098 -0.546 1
1 296 . 11 1 1 A 29 29 GLU N N 29 120.378 117.301 3.077 1
1 297 . 11 1 1 A 29 29 GLU H H 29 8.473 8.450 0.023 1
1 298 . 11 1 1 A 29 29 GLU CA C 29 54.425 54.898 -0.473 1
1 299 . 11 1 1 A 29 29 GLU HA H 29 4.734 4.876 -0.142 1
1 300 . 11 1 1 A 29 29 GLU CB C 29 33.430 31.875 1.555 1
1 306 . 11 1 1 A 29 29 GLU C C 29 175.244 176.672 -1.428 1
1 307 . 11 1 1 A 30 30 GLU N N 30 120.351 119.452 0.899 1
1 308 . 11 1 1 A 30 30 GLU H H 30 8.502 8.759 -0.257 1
1 309 . 11 1 1 A 30 30 GLU CA C 30 60.066 58.876 1.190 1
1 310 . 11 1 1 A 30 30 GLU HA H 30 3.898 4.120 -0.222 1
1 311 . 11 1 1 A 30 30 GLU CB C 30 30.038 30.285 -0.247 1
1 317 . 11 1 1 A 30 30 GLU C C 30 177.211 176.114 1.097 1
1 318 . 11 1 1 A 31 31 VAL N N 31 119.224 117.454 1.770 1
1 319 . 11 1 1 A 31 31 VAL H H 31 8.363 8.196 0.167 1
1 320 . 11 1 1 A 31 31 VAL CA C 31 61.327 61.510 -0.183 1
1 321 . 11 1 1 A 31 31 VAL HA H 31 4.154 4.182 -0.028 1
1 322 . 11 1 1 A 31 31 VAL CB C 31 30.937 32.876 -1.939 1
1 332 . 11 1 1 A 31 31 VAL C C 31 176.298 176.080 0.218 1
1 333 . 11 1 1 A 32 32 GLU N N 32 128.219 130.040 -1.821 1
1 334 . 11 1 1 A 32 32 GLU H H 32 8.453 8.883 -0.430 1
1 335 . 11 1 1 A 32 32 GLU CA C 32 59.610 60.280 -0.670 1
1 336 . 11 1 1 A 32 32 GLU HA H 32 3.729 3.604 0.125 1
1 337 . 11 1 1 A 32 32 GLU CB C 32 29.649 29.567 0.082 1
1 342 . 11 1 1 A 32 32 GLU C C 32 177.405 177.946 -0.541 1
1 343 . 11 1 1 A 33 33 SER N N 33 111.772 114.646 -2.874 1
1 344 . 11 1 1 A 33 33 SER H H 33 8.368 8.433 -0.065 1
1 345 . 11 1 1 A 33 33 SER CA C 33 61.378 61.433 -0.055 1
1 346 . 11 1 1 A 33 33 SER HA H 33 4.087 4.362 -0.275 1
1 347 . 11 1 1 A 33 33 SER CB C 33 61.842 62.755 -0.913 1
1 350 . 11 1 1 A 33 33 SER C C 33 177.086 176.823 0.263 1
1 351 . 11 1 1 A 34 34 ARG N N 34 121.109 120.473 0.636 1
1 352 . 11 1 1 A 34 34 ARG H H 34 7.445 7.853 -0.408 1
1 353 . 11 1 1 A 34 34 ARG CA C 34 58.682 59.854 -1.172 1
1 354 . 11 1 1 A 34 34 ARG HA H 34 4.067 3.918 0.149 1
1 355 . 11 1 1 A 34 34 ARG CB C 34 30.095 29.908 0.187 1
1 364 . 11 1 1 A 34 34 ARG C C 34 178.697 178.559 0.138 1
1 365 . 11 1 1 A 35 35 ARG N N 35 122.297 118.733 3.564 1
1 366 . 11 1 1 A 35 35 ARG H H 35 6.826 7.539 -0.713 1
1 367 . 11 1 1 A 35 35 ARG CA C 35 59.479 58.779 0.700 1
1 368 . 11 1 1 A 35 35 ARG HA H 35 3.718 3.888 -0.170 1
1 369 . 11 1 1 A 35 35 ARG CB C 35 30.578 29.407 1.171 1
1 380 . 11 1 1 A 35 35 ARG C C 35 178.318 178.478 -0.160 1
1 381 . 11 1 1 A 36 36 TRP N N 36 115.557 120.175 -4.618 1
1 382 . 11 1 1 A 36 36 TRP H H 36 7.702 6.919 0.783 1
1 383 . 11 1 1 A 36 36 TRP CA C 36 58.127 60.182 -2.055 1
1 384 . 11 1 1 A 36 36 TRP HA H 36 4.929 4.356 0.573 1
1 385 . 11 1 1 A 36 36 TRP CB C 36 30.618 29.179 1.439 1
1 400 . 11 1 1 A 36 36 TRP C C 36 178.742 178.734 0.008 1
1 401 . 11 1 1 A 37 37 GLN N N 37 117.116 119.025 -1.909 1
1 402 . 11 1 1 A 37 37 GLN H H 37 7.923 8.388 -0.465 1
1 403 . 11 1 1 A 37 37 GLN CA C 37 58.501 58.959 -0.458 1
1 404 . 11 1 1 A 37 37 GLN HA H 37 3.950 4.044 -0.094 1
1 405 . 11 1 1 A 37 37 GLN CB C 37 28.719 28.301 0.418 1
1 414 . 11 1 1 A 37 37 GLN C C 37 177.079 178.042 -0.963 1
1 415 . 11 1 1 A 38 38 LYS N N 38 119.256 119.082 0.174 1
1 416 . 11 1 1 A 38 38 LYS H H 38 7.543 8.120 -0.577 1
1 417 . 11 1 1 A 38 38 LYS CA C 38 59.855 59.018 0.837 1
1 418 . 11 1 1 A 38 38 LYS HA H 38 3.875 4.104 -0.229 1
1 419 . 11 1 1 A 38 38 LYS CB C 38 31.717 32.545 -0.828 1
1 431 . 11 1 1 A 38 38 LYS C C 38 179.773 179.105 0.668 1
1 432 . 11 1 1 A 39 39 ILE N N 39 117.818 120.300 -2.482 1
1 433 . 11 1 1 A 39 39 ILE H H 39 7.614 7.727 -0.113 1
1 434 . 11 1 1 A 39 39 ILE CA C 39 66.296 65.043 1.253 1
1 435 . 11 1 1 A 39 39 ILE HA H 39 3.534 3.169 0.365 1
1 436 . 11 1 1 A 39 39 ILE CB C 39 38.526 37.390 1.136 1
1 449 . 11 1 1 A 39 39 ILE C C 39 177.376 178.068 -0.692 1
1 450 . 11 1 1 A 40 40 ALA N N 40 122.394 122.384 0.010 1
1 451 . 11 1 1 A 40 40 ALA H H 40 8.680 8.525 0.155 1
1 452 . 11 1 1 A 40 40 ALA CA C 40 56.117 55.773 0.344 1
1 453 . 11 1 1 A 40 40 ALA HA H 40 3.732 4.025 -0.293 1
1 454 . 11 1 1 A 40 40 ALA CB C 40 17.581 18.393 -0.812 1
1 458 . 11 1 1 A 40 40 ALA C C 40 180.101 178.779 1.322 1
1 459 . 11 1 1 A 41 41 ASP N N 41 117.487 118.666 -1.179 1
1 460 . 11 1 1 A 41 41 ASP H H 41 8.516 8.009 0.507 1
1 461 . 11 1 1 A 41 41 ASP CA C 41 57.069 57.720 -0.651 1
1 462 . 11 1 1 A 41 41 ASP HA H 41 4.425 4.312 0.113 1
1 463 . 11 1 1 A 41 41 ASP CB C 41 40.176 40.713 -0.537 1
1 466 . 11 1 1 A 41 41 ASP C C 41 178.731 178.592 0.139 1
1 467 . 11 1 1 A 42 42 GLU N N 42 118.631 118.540 0.091 1
1 468 . 11 1 1 A 42 42 GLU H H 42 7.391 7.914 -0.523 1
1 469 . 11 1 1 A 42 42 GLU CA C 42 59.678 59.293 0.385 1
1 470 . 11 1 1 A 42 42 GLU HA H 42 4.246 4.031 0.215 1
1 471 . 11 1 1 A 42 42 GLU CB C 42 29.612 29.374 0.238 1
1 477 . 11 1 1 A 42 42 GLU C C 42 178.559 179.325 -0.766 1
1 478 . 11 1 1 A 43 43 LEU N N 43 120.834 119.594 1.240 1
1 479 . 11 1 1 A 43 43 LEU H H 43 8.247 7.354 0.893 1
1 480 . 11 1 1 A 43 43 LEU CA C 43 57.274 56.747 0.527 1
1 481 . 11 1 1 A 43 43 LEU HA H 43 4.171 3.985 0.186 1
1 482 . 11 1 1 A 43 43 LEU CB C 43 42.237 42.460 -0.223 1
1 495 . 11 1 1 A 43 43 LEU C C 43 179.282 177.098 2.184 1
1 496 . 11 1 1 A 44 44 GLY N N 44 106.089 107.138 -1.049 1
1 497 . 11 1 1 A 44 44 GLY H H 44 8.218 8.126 0.092 1
1 498 . 11 1 1 A 44 44 GLY CA C 44 46.203 45.369 0.834 1
1 499 . 11 1 1 A 44 44 GLY HA2 H 44 3.738 3.955 -0.217 1
1 500 . 11 1 1 A 44 44 GLY HA3 H 44 4.181 3.957 0.224 1
1 501 . 11 1 1 A 44 44 GLY C C 44 174.363 175.398 -1.035 1
1 502 . 11 1 1 A 45 45 ASN N N 45 117.303 116.671 0.632 1
1 503 . 11 1 1 A 45 45 ASN H H 45 8.060 8.150 -0.090 1
1 504 . 11 1 1 A 45 45 ASN CA C 45 52.872 54.468 -1.596 1
1 505 . 11 1 1 A 45 45 ASN HA H 45 4.637 4.627 0.010 1
1 506 . 11 1 1 A 45 45 ASN CB C 45 38.017 39.013 -0.996 1
1 512 . 11 1 1 A 45 45 ASN C C 45 174.403 175.827 -1.424 1
1 513 . 11 1 1 A 46 46 ARG N N 46 115.501 116.971 -1.470 1
1 514 . 11 1 1 A 46 46 ARG H H 46 7.091 7.658 -0.567 1
1 515 . 11 1 1 A 46 46 ARG CA C 46 52.521 54.999 -2.478 1
1 516 . 11 1 1 A 46 46 ARG HA H 46 4.948 4.394 0.554 1
1 517 . 11 1 1 A 46 46 ARG CB C 46 35.298 31.070 4.228 1
1 528 . 11 1 1 A 46 46 ARG C C 46 175.373 175.810 -0.437 1
1 529 . 11 1 1 A 47 47 THR N N 47 110.043 111.943 -1.900 1
1 530 . 11 1 1 A 47 47 THR H H 47 8.411 8.419 -0.008 1
1 531 . 11 1 1 A 47 47 THR CA C 47 59.643 59.320 0.323 1
1 532 . 11 1 1 A 47 47 THR HA H 47 4.602 4.985 -0.383 1
1 533 . 11 1 1 A 47 47 THR CB C 47 71.307 72.021 -0.714 1
1 539 . 11 1 1 A 47 47 THR C C 47 175.891 175.655 0.236 1
1 540 . 11 1 1 A 48 48 ALA N N 48 123.448 125.149 -1.701 1
1 541 . 11 1 1 A 48 48 ALA H H 48 9.205 9.100 0.105 1
1 542 . 11 1 1 A 48 48 ALA CA C 48 55.820 55.734 0.086 1
1 543 . 11 1 1 A 48 48 ALA HA H 48 3.869 4.088 -0.219 1
1 544 . 11 1 1 A 48 48 ALA CB C 48 17.997 18.506 -0.509 1
1 548 . 11 1 1 A 48 48 ALA C C 48 179.731 179.643 0.088 1
1 549 . 11 1 1 A 49 49 LYS N N 49 117.235 117.438 -0.203 1
1 550 . 11 1 1 A 49 49 LYS H H 49 8.127 8.291 -0.164 1
1 551 . 11 1 1 A 49 49 LYS CA C 49 59.436 59.659 -0.223 1
1 552 . 11 1 1 A 49 49 LYS HA H 49 4.008 3.925 0.083 1
1 553 . 11 1 1 A 49 49 LYS CB C 49 32.661 32.272 0.389 1
1 565 . 11 1 1 A 49 49 LYS C C 49 179.567 179.068 0.499 1
1 566 . 11 1 1 A 50 50 GLN N N 50 119.324 118.495 0.829 1
1 567 . 11 1 1 A 50 50 GLN H H 50 7.753 7.799 -0.046 1
1 568 . 11 1 1 A 50 50 GLN CA C 50 58.938 59.257 -0.319 1
1 569 . 11 1 1 A 50 50 GLN HA H 50 4.191 4.074 0.117 1
1 570 . 11 1 1 A 50 50 GLN CB C 50 29.389 28.379 1.010 1
1 579 . 11 1 1 A 50 50 GLN C C 50 180.097 178.597 1.500 1
1 580 . 11 1 1 A 51 51 VAL N N 51 120.881 120.650 0.231 1
1 581 . 11 1 1 A 51 51 VAL H H 51 8.397 8.036 0.361 1
1 582 . 11 1 1 A 51 51 VAL CA C 51 67.510 66.297 1.213 1
1 583 . 11 1 1 A 51 51 VAL HA H 51 3.491 3.720 -0.229 1
1 584 . 11 1 1 A 51 51 VAL CB C 51 31.871 31.515 0.356 1
1 594 . 11 1 1 A 51 51 VAL C C 51 176.150 177.476 -1.326 1
1 595 . 11 1 1 A 52 52 ALA N N 52 120.695 121.906 -1.211 1
1 596 . 11 1 1 A 52 52 ALA H H 52 8.057 8.542 -0.485 1
1 597 . 11 1 1 A 52 52 ALA CA C 52 55.307 55.123 0.184 1
1 598 . 11 1 1 A 52 52 ALA HA H 52 2.379 2.799 -0.420 1
1 599 . 11 1 1 A 52 52 ALA CB C 52 17.410 18.355 -0.945 1
1 603 . 11 1 1 A 52 52 ALA C C 52 180.088 179.318 0.770 1
1 604 . 11 1 1 A 53 53 SER N N 53 110.953 113.360 -2.407 1
1 605 . 11 1 1 A 53 53 SER H H 53 7.653 7.779 -0.126 1
1 606 . 11 1 1 A 53 53 SER CA C 53 61.291 61.339 -0.048 1
1 607 . 11 1 1 A 53 53 SER HA H 53 4.049 4.046 0.003 1
1 608 . 11 1 1 A 53 53 SER CB C 53 63.032 62.701 0.331 1
1 610 . 11 1 1 A 53 53 SER C C 53 180.076 176.017 4.059 1
1 611 . 11 1 1 A 54 54 GLN N N 54 123.306 121.395 1.911 1
1 612 . 11 1 1 A 54 54 GLN H H 54 7.615 7.780 -0.165 1
1 613 . 11 1 1 A 54 54 GLN CA C 54 57.843 58.152 -0.309 1
1 614 . 11 1 1 A 54 54 GLN HA H 54 3.844 3.490 0.354 1
1 615 . 11 1 1 A 54 54 GLN CB C 54 27.422 27.192 0.230 1
1 624 . 11 1 1 A 55 55 VAL N N 55 119.150 119.806 -0.656 1
1 625 . 11 1 1 A 55 55 VAL H H 55 8.266 7.417 0.849 1
1 626 . 11 1 1 A 55 55 VAL CA C 55 66.491 66.590 -0.099 1
1 627 . 11 1 1 A 55 55 VAL HA H 55 3.417 3.404 0.013 1
1 628 . 11 1 1 A 55 55 VAL CB C 55 31.306 30.935 0.371 1
1 638 . 11 1 1 A 55 55 VAL C C 55 177.640 177.922 -0.282 1
1 639 . 11 1 1 A 56 56 GLN N N 56 116.992 118.860 -1.868 1
1 640 . 11 1 1 A 56 56 GLN H H 56 7.578 7.477 0.101 1
1 641 . 11 1 1 A 56 56 GLN CA C 56 58.616 58.628 -0.012 1
1 642 . 11 1 1 A 56 56 GLN HA H 56 3.964 4.036 -0.072 1
1 643 . 11 1 1 A 56 56 GLN CB C 56 28.115 28.354 -0.239 1
1 652 . 11 1 1 A 56 56 GLN C C 56 177.976 177.644 0.332 1
1 653 . 11 1 1 A 57 57 LYS N N 57 117.073 115.898 1.175 1
1 654 . 11 1 1 A 57 57 LYS H H 57 7.378 7.841 -0.463 1
1 655 . 11 1 1 A 57 57 LYS CA C 57 58.958 56.500 2.458 1
1 656 . 11 1 1 A 57 57 LYS HA H 57 3.897 4.362 -0.465 1
1 657 . 11 1 1 A 57 57 LYS CB C 57 32.837 32.622 0.215 1
1 669 . 11 1 1 A 57 57 LYS C C 57 178.237 177.157 1.080 1
1 670 . 11 1 1 A 58 58 TYR N N 58 117.398 117.818 -0.420 1
1 671 . 11 1 1 A 58 58 TYR H H 58 7.722 7.878 -0.156 1
1 672 . 11 1 1 A 58 58 TYR CA C 58 59.231 58.786 0.445 1
1 673 . 11 1 1 A 58 58 TYR HA H 58 4.422 4.603 -0.181 1
1 674 . 11 1 1 A 58 58 TYR CB C 58 38.850 40.173 -1.323 1
1 685 . 11 1 1 A 58 58 TYR C C 58 176.329 176.051 0.278 1
1 686 . 11 1 1 A 59 59 PHE N N 59 118.720 117.071 1.649 1
1 687 . 11 1 1 A 59 59 PHE H H 59 8.197 8.089 0.108 1
1 688 . 11 1 1 A 59 59 PHE CA C 59 59.396 59.210 0.186 1
1 689 . 11 1 1 A 59 59 PHE HA H 59 4.487 4.650 -0.163 1
1 690 . 11 1 1 A 59 59 PHE CB C 59 39.309 40.015 -0.706 1
1 703 . 11 1 1 A 59 59 PHE C C 59 177.355 176.816 0.539 1
1 704 . 11 1 1 A 60 60 ILE N N 60 120.989 119.637 1.352 1
1 705 . 11 1 1 A 60 60 ILE H H 60 7.940 8.059 -0.119 1
1 706 . 11 1 1 A 60 60 ILE CA C 60 63.239 65.384 -2.145 1
1 707 . 11 1 1 A 60 60 ILE HA H 60 3.937 3.992 -0.055 1
1 708 . 11 1 1 A 60 60 ILE CB C 60 38.017 37.645 0.372 1
1 721 . 11 1 1 A 60 60 ILE C C 60 177.197 178.447 -1.250 1
1 722 . 11 1 1 A 61 61 LYS N N 61 122.558 121.215 1.343 1
1 723 . 11 1 1 A 61 61 LYS H H 61 8.056 7.946 0.110 1
1 724 . 11 1 1 A 61 61 LYS CA C 61 57.840 58.609 -0.769 1
1 725 . 11 1 1 A 61 61 LYS HA H 61 4.158 4.054 0.104 1
1 726 . 11 1 1 A 61 61 LYS CB C 61 32.480 32.275 0.205 1
1 738 . 11 1 1 A 61 61 LYS C C 61 177.737 178.018 -0.281 1
1 739 . 11 1 1 A 62 62 LEU N N 62 120.763 116.316 4.447 1
1 740 . 11 1 1 A 62 62 LEU H H 62 8.145 7.656 0.489 1
1 741 . 11 1 1 A 62 62 LEU CA C 62 55.989 53.826 2.163 1
1 742 . 11 1 1 A 62 62 LEU HA H 62 4.302 4.524 -0.222 1
1 743 . 11 1 1 A 62 62 LEU CB C 62 42.379 41.436 0.943 1
1 756 . 11 1 1 A 62 62 LEU C C 62 178.178 176.923 1.255 1
1 757 . 11 1 1 A 63 63 THR N N 63 113.377 114.887 -1.510 1
1 758 . 11 1 1 A 63 63 THR H H 63 8.043 7.955 0.088 1
1 759 . 11 1 1 A 63 63 THR CA C 63 63.007 64.196 -1.189 1
1 760 . 11 1 1 A 63 63 THR HA H 63 4.285 4.250 0.035 1
1 761 . 11 1 1 A 63 63 THR CB C 63 70.153 69.767 0.386 1
1 767 . 11 1 1 A 63 63 THR C C 63 175.775 174.285 1.490 1
1 768 . 11 1 1 A 64 64 LYS N N 64 122.961 119.601 3.360 1
1 769 . 11 1 1 A 64 64 LYS H H 64 8.333 7.972 0.361 1
1 770 . 11 1 1 A 64 64 LYS CA C 64 57.298 54.395 2.903 1
1 771 . 11 1 1 A 64 64 LYS HA H 64 4.218 4.682 -0.464 1
1 772 . 11 1 1 A 64 64 LYS CB C 64 32.578 35.747 -3.169 1
1 784 . 11 1 1 A 64 64 LYS C C 64 176.684 176.695 -0.011 1
1 785 . 11 1 1 A 65 65 ALA N N 65 123.107 128.722 -5.615 1
1 786 . 11 1 1 A 65 65 ALA H H 65 8.024 8.922 -0.898 1
1 787 . 11 1 1 A 65 65 ALA CA C 65 52.597 55.383 -2.786 1
1 788 . 11 1 1 A 65 65 ALA HA H 65 4.323 4.004 0.319 1
1 789 . 11 1 1 A 65 65 ALA CB C 65 19.229 18.248 0.981 1
1 793 . 11 1 1 A 65 65 ALA C C 65 178.017 179.992 -1.975 1
1 794 . 11 1 1 A 66 66 GLY N N 66 107.464 106.590 0.874 1
1 795 . 11 1 1 A 66 66 GLY H H 66 8.165 8.269 -0.104 1
1 796 . 11 1 1 A 66 66 GLY CA C 66 45.223 47.254 -2.031 1
1 797 . 11 1 1 A 66 66 GLY HA2 H 66 3.955 3.811 0.144 1
1 798 . 11 1 1 A 66 66 GLY HA3 H 66 3.888 3.812 0.076 1
1 799 . 11 1 1 A 66 66 GLY C C 66 173.809 175.623 -1.814 1
1 800 . 11 1 1 A 67 67 ILE N N 67 121.784 121.097 0.687 1
1 801 . 11 1 1 A 67 67 ILE H H 67 7.825 7.334 0.491 1
1 802 . 11 1 1 A 67 67 ILE CA C 67 58.397 59.924 -1.527 1
1 803 . 11 1 1 A 67 67 ILE HA H 67 4.457 4.229 0.228 1
1 804 . 11 1 1 A 67 67 ILE CB C 67 38.622 38.101 0.521 1
1 817 . 11 1 1 A 67 67 ILE C C 67 174.638 174.241 0.397 1
1 818 . 11 1 1 A 68 68 PRO CA C 68 63.157 62.710 0.447 1
1 819 . 11 1 1 A 68 68 PRO HA H 68 4.499 4.734 -0.235 1
1 820 . 11 1 1 A 68 68 PRO CB C 68 31.946 31.773 0.173 1
1 829 . 11 1 1 A 68 68 PRO C C 68 176.866 175.990 0.876 1
1 830 . 11 1 1 A 69 69 VAL N N 69 120.953 124.800 -3.847 1
1 831 . 11 1 1 A 69 69 VAL H H 69 8.269 8.639 -0.370 1
1 832 . 11 1 1 A 69 69 VAL CA C 69 62.460 61.332 1.128 1
1 833 . 11 1 1 A 69 69 VAL HA H 69 4.112 4.526 -0.414 1
1 834 . 11 1 1 A 69 69 VAL CB C 69 32.882 32.988 -0.106 1
1 844 . 11 1 1 A 69 69 VAL C C 69 176.217 174.951 1.266 1
1 845 . 11 1 1 A 70 70 SER N N 70 118.672 121.181 -2.509 1
1 846 . 11 1 1 A 70 70 SER H H 70 8.321 8.807 -0.486 1
1 847 . 11 1 1 A 70 70 SER CA C 70 58.127 57.128 0.999 1
1 848 . 11 1 1 A 70 70 SER HA H 70 4.536 5.223 -0.687 1
1 849 . 11 1 1 A 70 70 SER CB C 70 64.051 66.178 -2.127 1
1 852 . 11 1 1 A 70 70 SER C C 70 174.419 173.377 1.042 1
1 853 . 11 1 1 A 72 72 PRO CA C 72 63.221 62.862 0.359 1
1 854 . 11 1 1 A 72 72 PRO HA H 72 4.480 4.480 0.000 1
1 855 . 11 1 1 A 72 72 PRO CB C 72 32.287 31.978 0.309 1
1 864 . 11 1 1 A 73 73 SER N N 73 116.355 115.087 1.268 1
1 865 . 11 1 1 A 73 73 SER H H 73 8.521 8.523 -0.002 1
1 866 . 11 1 1 A 73 73 SER CA C 73 58.407 57.463 0.944 1
1 867 . 11 1 1 A 73 73 SER HA H 73 4.580 4.583 -0.003 1
1 868 . 11 1 1 A 73 73 SER CB C 73 63.942 64.393 -0.451 1
1 1 . 12 1 1 A 9 9 GLN CA C 9 56.082 54.806 1.276 1
1 2 . 12 1 1 A 9 9 GLN HA H 9 4.326 4.458 -0.132 1
1 3 . 12 1 1 A 9 9 GLN CB C 9 29.035 27.962 1.073 1
1 9 . 12 1 1 A 9 9 GLN C C 9 176.519 174.538 1.981 1
1 10 . 12 1 1 A 10 10 LEU N N 10 124.239 124.367 -0.128 1
1 11 . 12 1 1 A 10 10 LEU H H 10 8.287 8.110 0.177 1
1 12 . 12 1 1 A 10 10 LEU CA C 10 55.553 53.477 2.076 1
1 13 . 12 1 1 A 10 10 LEU HA H 10 4.390 5.133 -0.743 1
1 14 . 12 1 1 A 10 10 LEU CB C 10 42.168 43.957 -1.789 1
1 27 . 12 1 1 A 10 10 LEU C C 10 177.357 176.451 0.906 1
1 28 . 12 1 1 A 11 11 TRP N N 11 124.940 122.297 2.643 1
1 29 . 12 1 1 A 11 11 TRP H H 11 8.879 8.992 -0.113 1
1 30 . 12 1 1 A 11 11 TRP CA C 11 56.849 56.955 -0.106 1
1 31 . 12 1 1 A 11 11 TRP HA H 11 4.668 4.908 -0.240 1
1 32 . 12 1 1 A 11 11 TRP CB C 11 28.603 30.432 -1.829 1
1 47 . 12 1 1 A 11 11 TRP C C 11 177.416 176.375 1.041 1
1 48 . 12 1 1 A 12 12 THR N N 12 115.857 116.166 -0.309 1
1 49 . 12 1 1 A 12 12 THR H H 12 8.760 8.488 0.272 1
1 50 . 12 1 1 A 12 12 THR CA C 12 60.885 59.933 0.952 1
1 51 . 12 1 1 A 12 12 THR HA H 12 4.509 4.704 -0.195 1
1 52 . 12 1 1 A 12 12 THR CB C 12 71.142 70.312 0.830 1
1 58 . 12 1 1 A 12 12 THR C C 12 175.828 175.200 0.628 1
1 59 . 12 1 1 A 13 13 VAL N N 13 121.033 127.499 -6.466 1
1 60 . 12 1 1 A 13 13 VAL H H 13 8.782 8.672 0.110 1
1 61 . 12 1 1 A 13 13 VAL CA C 13 66.558 65.624 0.934 1
1 62 . 12 1 1 A 13 13 VAL HA H 13 3.784 3.820 -0.036 1
1 63 . 12 1 1 A 13 13 VAL CB C 13 31.659 31.860 -0.201 1
1 73 . 12 1 1 A 13 13 VAL C C 13 178.595 177.774 0.821 1
1 74 . 12 1 1 A 14 14 GLU N N 14 119.290 121.010 -1.720 1
1 75 . 12 1 1 A 14 14 GLU H H 14 8.586 8.434 0.152 1
1 76 . 12 1 1 A 14 14 GLU CA C 14 60.285 59.611 0.674 1
1 77 . 12 1 1 A 14 14 GLU HA H 14 4.024 4.009 0.015 1
1 78 . 12 1 1 A 14 14 GLU CB C 14 29.039 29.398 -0.359 1
1 84 . 12 1 1 A 14 14 GLU C C 14 179.736 179.420 0.316 1
1 85 . 12 1 1 A 15 15 GLU N N 15 121.533 119.851 1.682 1
1 86 . 12 1 1 A 15 15 GLU H H 15 7.934 8.401 -0.467 1
1 87 . 12 1 1 A 15 15 GLU CA C 15 59.834 59.496 0.338 1
1 88 . 12 1 1 A 15 15 GLU HA H 15 3.990 4.060 -0.070 1
1 89 . 12 1 1 A 15 15 GLU CB C 15 31.315 29.297 2.018 1
1 95 . 12 1 1 A 15 15 GLU C C 15 178.886 179.508 -0.622 1
1 96 . 12 1 1 A 16 16 GLN N N 16 119.475 119.525 -0.050 1
1 97 . 12 1 1 A 16 16 GLN H H 16 8.595 8.482 0.113 1
1 98 . 12 1 1 A 16 16 GLN CA C 16 59.369 59.288 0.081 1
1 99 . 12 1 1 A 16 16 GLN HA H 16 4.104 4.231 -0.127 1
1 100 . 12 1 1 A 16 16 GLN CB C 16 28.376 28.515 -0.139 1
1 109 . 12 1 1 A 16 16 GLN C C 16 178.548 178.822 -0.274 1
1 110 . 12 1 1 A 17 17 LYS N N 17 119.404 120.092 -0.688 1
1 111 . 12 1 1 A 17 17 LYS H H 17 8.241 7.949 0.292 1
1 112 . 12 1 1 A 17 17 LYS CA C 17 59.175 59.593 -0.418 1
1 113 . 12 1 1 A 17 17 LYS HA H 17 4.103 4.216 -0.113 1
1 114 . 12 1 1 A 17 17 LYS CB C 17 31.980 32.505 -0.525 1
1 126 . 12 1 1 A 17 17 LYS C C 17 179.663 178.710 0.953 1
1 127 . 12 1 1 A 18 18 LYS N N 18 120.546 120.066 0.480 1
1 128 . 12 1 1 A 18 18 LYS H H 18 7.852 7.663 0.189 1
1 129 . 12 1 1 A 18 18 LYS CA C 18 59.432 59.872 -0.440 1
1 130 . 12 1 1 A 18 18 LYS HA H 18 4.157 4.087 0.070 1
1 131 . 12 1 1 A 18 18 LYS CB C 18 32.166 32.250 -0.084 1
1 143 . 12 1 1 A 18 18 LYS C C 18 179.003 178.773 0.230 1
1 144 . 12 1 1 A 19 19 LEU N N 19 120.782 121.009 -0.227 1
1 145 . 12 1 1 A 19 19 LEU H H 19 8.639 8.593 0.046 1
1 146 . 12 1 1 A 19 19 LEU CA C 19 58.729 58.201 0.528 1
1 147 . 12 1 1 A 19 19 LEU HA H 19 4.042 4.190 -0.148 1
1 148 . 12 1 1 A 19 19 LEU CB C 19 41.465 42.017 -0.552 1
1 161 . 12 1 1 A 19 19 LEU C C 19 177.410 178.841 -1.431 1
1 162 . 12 1 1 A 20 20 GLU N N 20 116.982 118.345 -1.363 1
1 163 . 12 1 1 A 20 20 GLU H H 20 7.981 8.319 -0.338 1
1 164 . 12 1 1 A 20 20 GLU CA C 20 60.285 59.567 0.718 1
1 165 . 12 1 1 A 20 20 GLU HA H 20 3.647 4.123 -0.476 1
1 166 . 12 1 1 A 20 20 GLU CB C 20 29.612 29.398 0.214 1
1 172 . 12 1 1 A 20 20 GLU C C 20 179.066 179.575 -0.509 1
1 173 . 12 1 1 A 21 21 GLN N N 21 115.877 119.009 -3.132 1
1 174 . 12 1 1 A 21 21 GLN H H 21 7.518 7.880 -0.362 1
1 175 . 12 1 1 A 21 21 GLN CA C 21 58.409 58.853 -0.444 1
1 176 . 12 1 1 A 21 21 GLN HA H 21 4.112 4.125 -0.013 1
1 177 . 12 1 1 A 21 21 GLN CB C 21 28.405 28.472 -0.067 1
1 186 . 12 1 1 A 21 21 GLN C C 21 180.271 178.669 1.602 1
1 187 . 12 1 1 A 22 22 LEU N N 22 123.461 120.935 2.526 1
1 188 . 12 1 1 A 22 22 LEU H H 22 8.775 8.633 0.142 1
1 189 . 12 1 1 A 22 22 LEU CA C 22 57.782 57.974 -0.192 1
1 190 . 12 1 1 A 22 22 LEU HA H 22 4.243 4.064 0.179 1
1 191 . 12 1 1 A 22 22 LEU CB C 22 42.687 41.912 0.775 1
1 204 . 12 1 1 A 22 22 LEU C C 22 178.112 179.165 -1.053 1
1 205 . 12 1 1 A 23 23 LEU N N 23 119.576 118.105 1.471 1
1 206 . 12 1 1 A 23 23 LEU H H 23 8.260 8.622 -0.362 1
1 207 . 12 1 1 A 23 23 LEU CA C 23 57.281 58.408 -1.127 1
1 208 . 12 1 1 A 23 23 LEU HA H 23 4.174 4.133 0.041 1
1 209 . 12 1 1 A 23 23 LEU CB C 23 42.175 41.929 0.246 1
1 222 . 12 1 1 A 23 23 LEU C C 23 177.927 179.324 -1.397 1
1 223 . 12 1 1 A 24 24 ILE N N 24 116.614 119.771 -3.157 1
1 224 . 12 1 1 A 24 24 ILE H H 24 6.949 7.943 -0.994 1
1 225 . 12 1 1 A 24 24 ILE CA C 24 62.755 64.151 -1.396 1
1 226 . 12 1 1 A 24 24 ILE HA H 24 3.787 3.875 -0.088 1
1 227 . 12 1 1 A 24 24 ILE CB C 24 38.208 37.540 0.668 1
1 240 . 12 1 1 A 24 24 ILE C C 24 177.066 177.801 -0.735 1
1 241 . 12 1 1 A 25 25 LYS N N 25 121.060 122.492 -1.432 1
1 242 . 12 1 1 A 25 25 LYS H H 25 7.421 8.053 -0.632 1
1 243 . 12 1 1 A 25 25 LYS CA C 25 59.281 59.081 0.200 1
1 244 . 12 1 1 A 25 25 LYS HA H 25 3.726 4.024 -0.298 1
1 245 . 12 1 1 A 25 25 LYS CB C 25 34.011 31.972 2.039 1
1 257 . 12 1 1 A 25 25 LYS C C 25 175.900 176.053 -0.153 1
1 258 . 12 1 1 A 26 26 TYR N N 26 117.015 116.770 0.245 1
1 259 . 12 1 1 A 26 26 TYR H H 26 8.124 8.579 -0.455 1
1 260 . 12 1 1 A 26 26 TYR CA C 26 54.995 55.017 -0.022 1
1 261 . 12 1 1 A 26 26 TYR HA H 26 4.988 4.951 0.037 1
1 262 . 12 1 1 A 26 26 TYR CB C 26 37.055 38.613 -1.558 1
1 273 . 12 1 1 A 27 27 PRO CA C 27 62.102 61.617 0.485 1
1 274 . 12 1 1 A 27 27 PRO HA H 27 4.833 4.689 0.144 1
1 275 . 12 1 1 A 27 27 PRO CB C 27 30.960 31.660 -0.700 1
1 284 . 12 1 1 A 28 28 PRO CA C 28 64.218 62.720 1.498 1
1 285 . 12 1 1 A 28 28 PRO HA H 28 4.127 4.518 -0.391 1
1 286 . 12 1 1 A 28 28 PRO CB C 28 31.726 32.386 -0.660 1
1 295 . 12 1 1 A 28 28 PRO C C 28 175.552 176.490 -0.938 1
1 296 . 12 1 1 A 29 29 GLU N N 29 120.378 119.328 1.050 1
1 297 . 12 1 1 A 29 29 GLU H H 29 8.473 8.261 0.212 1
1 298 . 12 1 1 A 29 29 GLU CA C 29 54.425 54.468 -0.043 1
1 299 . 12 1 1 A 29 29 GLU HA H 29 4.734 4.732 0.002 1
1 300 . 12 1 1 A 29 29 GLU CB C 29 33.430 32.411 1.019 1
1 306 . 12 1 1 A 29 29 GLU C C 29 175.244 177.208 -1.964 1
1 307 . 12 1 1 A 30 30 GLU N N 30 120.351 118.720 1.631 1
1 308 . 12 1 1 A 30 30 GLU H H 30 8.502 8.818 -0.316 1
1 309 . 12 1 1 A 30 30 GLU CA C 30 60.066 59.382 0.684 1
1 310 . 12 1 1 A 30 30 GLU HA H 30 3.898 4.085 -0.187 1
1 311 . 12 1 1 A 30 30 GLU CB C 30 30.038 29.036 1.002 1
1 317 . 12 1 1 A 30 30 GLU C C 30 177.211 176.879 0.332 1
1 318 . 12 1 1 A 31 31 VAL N N 31 119.224 118.713 0.511 1
1 319 . 12 1 1 A 31 31 VAL H H 31 8.363 7.971 0.392 1
1 320 . 12 1 1 A 31 31 VAL CA C 31 61.327 61.879 -0.552 1
1 321 . 12 1 1 A 31 31 VAL HA H 31 4.154 4.205 -0.051 1
1 322 . 12 1 1 A 31 31 VAL CB C 31 30.937 31.774 -0.837 1
1 332 . 12 1 1 A 31 31 VAL C C 31 176.298 176.153 0.145 1
1 333 . 12 1 1 A 32 32 GLU N N 32 128.219 129.657 -1.438 1
1 334 . 12 1 1 A 32 32 GLU H H 32 8.453 8.634 -0.181 1
1 335 . 12 1 1 A 32 32 GLU CA C 32 59.610 59.369 0.241 1
1 336 . 12 1 1 A 32 32 GLU HA H 32 3.729 3.532 0.197 1
1 337 . 12 1 1 A 32 32 GLU CB C 32 29.649 29.287 0.362 1
1 342 . 12 1 1 A 32 32 GLU C C 32 177.405 177.704 -0.299 1
1 343 . 12 1 1 A 33 33 SER N N 33 111.772 114.558 -2.786 1
1 344 . 12 1 1 A 33 33 SER H H 33 8.368 7.928 0.440 1
1 345 . 12 1 1 A 33 33 SER CA C 33 61.378 61.737 -0.359 1
1 346 . 12 1 1 A 33 33 SER HA H 33 4.087 4.258 -0.171 1
1 347 . 12 1 1 A 33 33 SER CB C 33 61.842 63.115 -1.273 1
1 350 . 12 1 1 A 33 33 SER C C 33 177.086 177.530 -0.444 1
1 351 . 12 1 1 A 34 34 ARG N N 34 121.109 120.997 0.112 1
1 352 . 12 1 1 A 34 34 ARG H H 34 7.445 8.041 -0.596 1
1 353 . 12 1 1 A 34 34 ARG CA C 34 58.682 59.827 -1.145 1
1 354 . 12 1 1 A 34 34 ARG HA H 34 4.067 3.926 0.141 1
1 355 . 12 1 1 A 34 34 ARG CB C 34 30.095 29.956 0.139 1
1 364 . 12 1 1 A 34 34 ARG C C 34 178.697 178.560 0.137 1
1 365 . 12 1 1 A 35 35 ARG N N 35 122.297 118.748 3.549 1
1 366 . 12 1 1 A 35 35 ARG H H 35 6.826 7.262 -0.436 1
1 367 . 12 1 1 A 35 35 ARG CA C 35 59.479 58.801 0.678 1
1 368 . 12 1 1 A 35 35 ARG HA H 35 3.718 3.824 -0.106 1
1 369 . 12 1 1 A 35 35 ARG CB C 35 30.578 29.294 1.284 1
1 380 . 12 1 1 A 35 35 ARG C C 35 178.318 178.748 -0.430 1
1 381 . 12 1 1 A 36 36 TRP N N 36 115.557 120.014 -4.457 1
1 382 . 12 1 1 A 36 36 TRP H H 36 7.702 7.089 0.613 1
1 383 . 12 1 1 A 36 36 TRP CA C 36 58.127 60.035 -1.908 1
1 384 . 12 1 1 A 36 36 TRP HA H 36 4.929 4.346 0.583 1
1 385 . 12 1 1 A 36 36 TRP CB C 36 30.618 28.866 1.752 1
1 400 . 12 1 1 A 36 36 TRP C C 36 178.742 178.845 -0.103 1
1 401 . 12 1 1 A 37 37 GLN N N 37 117.116 119.396 -2.280 1
1 402 . 12 1 1 A 37 37 GLN H H 37 7.923 8.103 -0.180 1
1 403 . 12 1 1 A 37 37 GLN CA C 37 58.501 58.996 -0.495 1
1 404 . 12 1 1 A 37 37 GLN HA H 37 3.950 4.011 -0.061 1
1 405 . 12 1 1 A 37 37 GLN CB C 37 28.719 28.112 0.607 1
1 414 . 12 1 1 A 37 37 GLN C C 37 177.079 178.421 -1.342 1
1 415 . 12 1 1 A 38 38 LYS N N 38 119.256 117.745 1.511 1
1 416 . 12 1 1 A 38 38 LYS H H 38 7.543 7.782 -0.239 1
1 417 . 12 1 1 A 38 38 LYS CA C 38 59.855 59.103 0.752 1
1 418 . 12 1 1 A 38 38 LYS HA H 38 3.875 3.946 -0.071 1
1 419 . 12 1 1 A 38 38 LYS CB C 38 31.717 31.848 -0.131 1
1 431 . 12 1 1 A 38 38 LYS C C 38 179.773 179.185 0.588 1
1 432 . 12 1 1 A 39 39 ILE N N 39 117.818 120.514 -2.696 1
1 433 . 12 1 1 A 39 39 ILE H H 39 7.614 7.463 0.151 1
1 434 . 12 1 1 A 39 39 ILE CA C 39 66.296 65.239 1.057 1
1 435 . 12 1 1 A 39 39 ILE HA H 39 3.534 3.480 0.054 1
1 436 . 12 1 1 A 39 39 ILE CB C 39 38.526 37.831 0.695 1
1 449 . 12 1 1 A 39 39 ILE C C 39 177.376 177.947 -0.571 1
1 450 . 12 1 1 A 40 40 ALA N N 40 122.394 122.229 0.165 1
1 451 . 12 1 1 A 40 40 ALA H H 40 8.680 8.530 0.150 1
1 452 . 12 1 1 A 40 40 ALA CA C 40 56.117 55.651 0.466 1
1 453 . 12 1 1 A 40 40 ALA HA H 40 3.732 4.086 -0.354 1
1 454 . 12 1 1 A 40 40 ALA CB C 40 17.581 18.486 -0.905 1
1 458 . 12 1 1 A 40 40 ALA C C 40 180.101 178.902 1.199 1
1 459 . 12 1 1 A 41 41 ASP N N 41 117.487 118.622 -1.135 1
1 460 . 12 1 1 A 41 41 ASP H H 41 8.516 8.194 0.322 1
1 461 . 12 1 1 A 41 41 ASP CA C 41 57.069 57.872 -0.803 1
1 462 . 12 1 1 A 41 41 ASP HA H 41 4.425 4.299 0.126 1
1 463 . 12 1 1 A 41 41 ASP CB C 41 40.176 40.800 -0.624 1
1 466 . 12 1 1 A 41 41 ASP C C 41 178.731 178.565 0.166 1
1 467 . 12 1 1 A 42 42 GLU N N 42 118.631 117.724 0.907 1
1 468 . 12 1 1 A 42 42 GLU H H 42 7.391 7.903 -0.512 1
1 469 . 12 1 1 A 42 42 GLU CA C 42 59.678 59.380 0.298 1
1 470 . 12 1 1 A 42 42 GLU HA H 42 4.246 4.022 0.224 1
1 471 . 12 1 1 A 42 42 GLU CB C 42 29.612 29.418 0.194 1
1 477 . 12 1 1 A 42 42 GLU C C 42 178.559 179.120 -0.561 1
1 478 . 12 1 1 A 43 43 LEU N N 43 120.834 120.223 0.611 1
1 479 . 12 1 1 A 43 43 LEU H H 43 8.247 7.414 0.833 1
1 480 . 12 1 1 A 43 43 LEU CA C 43 57.274 57.237 0.037 1
1 481 . 12 1 1 A 43 43 LEU HA H 43 4.171 3.992 0.179 1
1 482 . 12 1 1 A 43 43 LEU CB C 43 42.237 42.630 -0.393 1
1 495 . 12 1 1 A 43 43 LEU C C 43 179.282 176.945 2.337 1
1 496 . 12 1 1 A 44 44 GLY N N 44 106.089 106.365 -0.276 1
1 497 . 12 1 1 A 44 44 GLY H H 44 8.218 7.916 0.302 1
1 498 . 12 1 1 A 44 44 GLY CA C 44 46.203 45.414 0.789 1
1 499 . 12 1 1 A 44 44 GLY HA2 H 44 3.738 3.967 -0.229 1
1 500 . 12 1 1 A 44 44 GLY HA3 H 44 4.181 3.972 0.209 1
1 501 . 12 1 1 A 44 44 GLY C C 44 174.363 174.761 -0.398 1
1 502 . 12 1 1 A 45 45 ASN N N 45 117.303 118.579 -1.276 1
1 503 . 12 1 1 A 45 45 ASN H H 45 8.060 8.359 -0.299 1
1 504 . 12 1 1 A 45 45 ASN CA C 45 52.872 55.673 -2.801 1
1 505 . 12 1 1 A 45 45 ASN HA H 45 4.637 4.397 0.240 1
1 506 . 12 1 1 A 45 45 ASN CB C 45 38.017 38.423 -0.406 1
1 512 . 12 1 1 A 45 45 ASN C C 45 174.403 175.783 -1.380 1
1 513 . 12 1 1 A 46 46 ARG N N 46 115.501 119.299 -3.798 1
1 514 . 12 1 1 A 46 46 ARG H H 46 7.091 7.676 -0.585 1
1 515 . 12 1 1 A 46 46 ARG CA C 46 52.521 56.171 -3.650 1
1 516 . 12 1 1 A 46 46 ARG HA H 46 4.948 4.371 0.577 1
1 517 . 12 1 1 A 46 46 ARG CB C 46 35.298 31.331 3.967 1
1 528 . 12 1 1 A 46 46 ARG C C 46 175.373 175.275 0.098 1
1 529 . 12 1 1 A 47 47 THR N N 47 110.043 114.335 -4.292 1
1 530 . 12 1 1 A 47 47 THR H H 47 8.411 8.229 0.182 1
1 531 . 12 1 1 A 47 47 THR CA C 47 59.643 59.852 -0.209 1
1 532 . 12 1 1 A 47 47 THR HA H 47 4.602 5.024 -0.422 1
1 533 . 12 1 1 A 47 47 THR CB C 47 71.307 71.313 -0.006 1
1 539 . 12 1 1 A 47 47 THR C C 47 175.891 175.074 0.817 1
1 540 . 12 1 1 A 48 48 ALA N N 48 123.448 128.683 -5.235 1
1 541 . 12 1 1 A 48 48 ALA H H 48 9.205 9.043 0.162 1
1 542 . 12 1 1 A 48 48 ALA CA C 48 55.820 55.501 0.319 1
1 543 . 12 1 1 A 48 48 ALA HA H 48 3.869 4.050 -0.181 1
1 544 . 12 1 1 A 48 48 ALA CB C 48 17.997 18.503 -0.506 1
1 548 . 12 1 1 A 48 48 ALA C C 48 179.731 179.588 0.143 1
1 549 . 12 1 1 A 49 49 LYS N N 49 117.235 117.737 -0.502 1
1 550 . 12 1 1 A 49 49 LYS H H 49 8.127 7.885 0.242 1
1 551 . 12 1 1 A 49 49 LYS CA C 49 59.436 59.390 0.046 1
1 552 . 12 1 1 A 49 49 LYS HA H 49 4.008 4.013 -0.005 1
1 553 . 12 1 1 A 49 49 LYS CB C 49 32.661 32.454 0.207 1
1 565 . 12 1 1 A 49 49 LYS C C 49 179.567 178.793 0.774 1
1 566 . 12 1 1 A 50 50 GLN N N 50 119.324 118.177 1.147 1
1 567 . 12 1 1 A 50 50 GLN H H 50 7.753 8.206 -0.453 1
1 568 . 12 1 1 A 50 50 GLN CA C 50 58.938 59.026 -0.088 1
1 569 . 12 1 1 A 50 50 GLN HA H 50 4.191 4.059 0.132 1
1 570 . 12 1 1 A 50 50 GLN CB C 50 29.389 28.466 0.923 1
1 579 . 12 1 1 A 50 50 GLN C C 50 180.097 178.713 1.384 1
1 580 . 12 1 1 A 51 51 VAL N N 51 120.881 120.807 0.074 1
1 581 . 12 1 1 A 51 51 VAL H H 51 8.397 8.410 -0.013 1
1 582 . 12 1 1 A 51 51 VAL CA C 51 67.510 66.455 1.055 1
1 583 . 12 1 1 A 51 51 VAL HA H 51 3.491 3.705 -0.214 1
1 584 . 12 1 1 A 51 51 VAL CB C 51 31.871 31.758 0.113 1
1 594 . 12 1 1 A 51 51 VAL C C 51 176.150 177.667 -1.517 1
1 595 . 12 1 1 A 52 52 ALA N N 52 120.695 121.661 -0.966 1
1 596 . 12 1 1 A 52 52 ALA H H 52 8.057 7.927 0.130 1
1 597 . 12 1 1 A 52 52 ALA CA C 52 55.307 55.132 0.175 1
1 598 . 12 1 1 A 52 52 ALA HA H 52 2.379 2.875 -0.496 1
1 599 . 12 1 1 A 52 52 ALA CB C 52 17.410 18.188 -0.778 1
1 603 . 12 1 1 A 52 52 ALA C C 52 180.088 179.349 0.739 1
1 604 . 12 1 1 A 53 53 SER N N 53 110.953 112.904 -1.951 1
1 605 . 12 1 1 A 53 53 SER H H 53 7.653 7.927 -0.274 1
1 606 . 12 1 1 A 53 53 SER CA C 53 61.291 61.123 0.168 1
1 607 . 12 1 1 A 53 53 SER HA H 53 4.049 3.981 0.068 1
1 608 . 12 1 1 A 53 53 SER CB C 53 63.032 62.539 0.493 1
1 610 . 12 1 1 A 53 53 SER C C 53 180.076 176.470 3.606 1
1 611 . 12 1 1 A 54 54 GLN N N 54 123.306 121.415 1.891 1
1 612 . 12 1 1 A 54 54 GLN H H 54 7.615 7.241 0.374 1
1 613 . 12 1 1 A 54 54 GLN CA C 54 57.843 58.253 -0.410 1
1 614 . 12 1 1 A 54 54 GLN HA H 54 3.844 3.690 0.154 1
1 615 . 12 1 1 A 54 54 GLN CB C 54 27.422 27.644 -0.222 1
1 624 . 12 1 1 A 55 55 VAL N N 55 119.150 119.947 -0.797 1
1 625 . 12 1 1 A 55 55 VAL H H 55 8.266 7.693 0.573 1
1 626 . 12 1 1 A 55 55 VAL CA C 55 66.491 65.927 0.564 1
1 627 . 12 1 1 A 55 55 VAL HA H 55 3.417 3.297 0.120 1
1 628 . 12 1 1 A 55 55 VAL CB C 55 31.306 31.314 -0.008 1
1 638 . 12 1 1 A 55 55 VAL C C 55 177.640 177.888 -0.248 1
1 639 . 12 1 1 A 56 56 GLN N N 56 116.992 119.061 -2.069 1
1 640 . 12 1 1 A 56 56 GLN H H 56 7.578 8.425 -0.847 1
1 641 . 12 1 1 A 56 56 GLN CA C 56 58.616 58.282 0.334 1
1 642 . 12 1 1 A 56 56 GLN HA H 56 3.964 4.031 -0.067 1
1 643 . 12 1 1 A 56 56 GLN CB C 56 28.115 28.613 -0.498 1
1 652 . 12 1 1 A 56 56 GLN C C 56 177.976 177.013 0.963 1
1 653 . 12 1 1 A 57 57 LYS N N 57 117.073 118.267 -1.194 1
1 654 . 12 1 1 A 57 57 LYS H H 57 7.378 7.852 -0.474 1
1 655 . 12 1 1 A 57 57 LYS CA C 57 58.958 56.755 2.203 1
1 656 . 12 1 1 A 57 57 LYS HA H 57 3.897 4.281 -0.384 1
1 657 . 12 1 1 A 57 57 LYS CB C 57 32.837 32.371 0.466 1
1 669 . 12 1 1 A 57 57 LYS C C 57 178.237 176.874 1.363 1
1 670 . 12 1 1 A 58 58 TYR N N 58 117.398 118.071 -0.673 1
1 671 . 12 1 1 A 58 58 TYR H H 58 7.722 8.233 -0.511 1
1 672 . 12 1 1 A 58 58 TYR CA C 58 59.231 59.465 -0.234 1
1 673 . 12 1 1 A 58 58 TYR HA H 58 4.422 4.598 -0.176 1
1 674 . 12 1 1 A 58 58 TYR CB C 58 38.850 39.727 -0.877 1
1 685 . 12 1 1 A 58 58 TYR C C 58 176.329 176.902 -0.573 1
1 686 . 12 1 1 A 59 59 PHE N N 59 118.720 117.231 1.489 1
1 687 . 12 1 1 A 59 59 PHE H H 59 8.197 8.371 -0.174 1
1 688 . 12 1 1 A 59 59 PHE CA C 59 59.396 60.792 -1.396 1
1 689 . 12 1 1 A 59 59 PHE HA H 59 4.487 4.462 0.025 1
1 690 . 12 1 1 A 59 59 PHE CB C 59 39.309 40.286 -0.977 1
1 703 . 12 1 1 A 59 59 PHE C C 59 177.355 178.018 -0.663 1
1 704 . 12 1 1 A 60 60 ILE N N 60 120.989 120.440 0.549 1
1 705 . 12 1 1 A 60 60 ILE H H 60 7.940 7.709 0.231 1
1 706 . 12 1 1 A 60 60 ILE CA C 60 63.239 63.759 -0.520 1
1 707 . 12 1 1 A 60 60 ILE HA H 60 3.937 4.077 -0.140 1
1 708 . 12 1 1 A 60 60 ILE CB C 60 38.017 37.623 0.394 1
1 721 . 12 1 1 A 60 60 ILE C C 60 177.197 178.590 -1.393 1
1 722 . 12 1 1 A 61 61 LYS N N 61 122.558 120.971 1.587 1
1 723 . 12 1 1 A 61 61 LYS H H 61 8.056 8.480 -0.424 1
1 724 . 12 1 1 A 61 61 LYS CA C 61 57.840 58.870 -1.030 1
1 725 . 12 1 1 A 61 61 LYS HA H 61 4.158 4.083 0.075 1
1 726 . 12 1 1 A 61 61 LYS CB C 61 32.480 31.836 0.644 1
1 738 . 12 1 1 A 61 61 LYS C C 61 177.737 178.249 -0.512 1
1 739 . 12 1 1 A 62 62 LEU N N 62 120.763 115.968 4.795 1
1 740 . 12 1 1 A 62 62 LEU H H 62 8.145 7.782 0.363 1
1 741 . 12 1 1 A 62 62 LEU CA C 62 55.989 57.601 -1.612 1
1 742 . 12 1 1 A 62 62 LEU HA H 62 4.302 4.221 0.081 1
1 743 . 12 1 1 A 62 62 LEU CB C 62 42.379 41.814 0.565 1
1 756 . 12 1 1 A 62 62 LEU C C 62 178.178 177.259 0.919 1
1 757 . 12 1 1 A 63 63 THR N N 63 113.377 116.471 -3.094 1
1 758 . 12 1 1 A 63 63 THR H H 63 8.043 7.562 0.481 1
1 759 . 12 1 1 A 63 63 THR CA C 63 63.007 64.491 -1.484 1
1 760 . 12 1 1 A 63 63 THR HA H 63 4.285 4.199 0.086 1
1 761 . 12 1 1 A 63 63 THR CB C 63 70.153 69.481 0.672 1
1 767 . 12 1 1 A 63 63 THR C C 63 175.775 174.684 1.091 1
1 768 . 12 1 1 A 64 64 LYS N N 64 122.961 127.125 -4.164 1
1 769 . 12 1 1 A 64 64 LYS H H 64 8.333 8.823 -0.490 1
1 770 . 12 1 1 A 64 64 LYS CA C 64 57.298 58.872 -1.574 1
1 771 . 12 1 1 A 64 64 LYS HA H 64 4.218 4.168 0.050 1
1 772 . 12 1 1 A 64 64 LYS CB C 64 32.578 32.908 -0.330 1
1 784 . 12 1 1 A 64 64 LYS C C 64 176.684 177.661 -0.977 1
1 785 . 12 1 1 A 65 65 ALA N N 65 123.107 121.377 1.730 1
1 786 . 12 1 1 A 65 65 ALA H H 65 8.024 7.802 0.222 1
1 787 . 12 1 1 A 65 65 ALA CA C 65 52.597 52.187 0.410 1
1 788 . 12 1 1 A 65 65 ALA HA H 65 4.323 4.305 0.018 1
1 789 . 12 1 1 A 65 65 ALA CB C 65 19.229 20.137 -0.908 1
1 793 . 12 1 1 A 65 65 ALA C C 65 178.017 178.110 -0.093 1
1 794 . 12 1 1 A 66 66 GLY N N 66 107.464 109.008 -1.544 1
1 795 . 12 1 1 A 66 66 GLY H H 66 8.165 8.876 -0.711 1
1 796 . 12 1 1 A 66 66 GLY CA C 66 45.223 47.088 -1.865 1
1 797 . 12 1 1 A 66 66 GLY HA2 H 66 3.955 3.855 0.100 1
1 798 . 12 1 1 A 66 66 GLY HA3 H 66 3.888 3.858 0.030 1
1 799 . 12 1 1 A 66 66 GLY C C 66 173.809 174.426 -0.617 1
1 800 . 12 1 1 A 67 67 ILE N N 67 121.784 120.606 1.178 1
1 801 . 12 1 1 A 67 67 ILE H H 67 7.825 7.803 0.022 1
1 802 . 12 1 1 A 67 67 ILE CA C 67 58.397 57.606 0.791 1
1 803 . 12 1 1 A 67 67 ILE HA H 67 4.457 4.467 -0.010 1
1 804 . 12 1 1 A 67 67 ILE CB C 67 38.622 40.621 -1.999 1
1 817 . 12 1 1 A 67 67 ILE C C 67 174.638 174.415 0.223 1
1 818 . 12 1 1 A 68 68 PRO CA C 68 63.157 62.559 0.598 1
1 819 . 12 1 1 A 68 68 PRO HA H 68 4.499 4.725 -0.226 1
1 820 . 12 1 1 A 68 68 PRO CB C 68 31.946 31.534 0.412 1
1 829 . 12 1 1 A 68 68 PRO C C 68 176.866 176.790 0.076 1
1 830 . 12 1 1 A 69 69 VAL N N 69 120.953 123.103 -2.150 1
1 831 . 12 1 1 A 69 69 VAL H H 69 8.269 8.335 -0.066 1
1 832 . 12 1 1 A 69 69 VAL CA C 69 62.460 62.701 -0.241 1
1 833 . 12 1 1 A 69 69 VAL HA H 69 4.112 3.996 0.116 1
1 834 . 12 1 1 A 69 69 VAL CB C 69 32.882 32.686 0.196 1
1 844 . 12 1 1 A 69 69 VAL C C 69 176.217 176.091 0.126 1
1 845 . 12 1 1 A 70 70 SER N N 70 118.672 121.824 -3.152 1
1 846 . 12 1 1 A 70 70 SER H H 70 8.321 8.369 -0.048 1
1 847 . 12 1 1 A 70 70 SER CA C 70 58.127 59.917 -1.790 1
1 848 . 12 1 1 A 70 70 SER HA H 70 4.536 4.413 0.123 1
1 849 . 12 1 1 A 70 70 SER CB C 70 64.051 63.816 0.235 1
1 852 . 12 1 1 A 70 70 SER C C 70 174.419 175.178 -0.759 1
1 853 . 12 1 1 A 72 72 PRO CA C 72 63.221 64.221 -1.000 1
1 854 . 12 1 1 A 72 72 PRO HA H 72 4.480 4.420 0.060 1
1 855 . 12 1 1 A 72 72 PRO CB C 72 32.287 31.851 0.436 1
1 864 . 12 1 1 A 73 73 SER N N 73 116.355 113.841 2.514 1
1 865 . 12 1 1 A 73 73 SER H H 73 8.521 7.677 0.844 1
1 866 . 12 1 1 A 73 73 SER CA C 73 58.407 59.063 -0.656 1
1 867 . 12 1 1 A 73 73 SER HA H 73 4.580 4.232 0.348 1
1 868 . 12 1 1 A 73 73 SER CB C 73 63.942 62.993 0.949 1
1 1 . 13 1 1 A 9 9 GLN CA C 9 56.082 54.706 1.376 1
1 2 . 13 1 1 A 9 9 GLN HA H 9 4.326 4.785 -0.459 1
1 3 . 13 1 1 A 9 9 GLN CB C 9 29.035 29.569 -0.534 1
1 9 . 13 1 1 A 9 9 GLN C C 9 176.519 175.294 1.225 1
1 10 . 13 1 1 A 10 10 LEU N N 10 124.239 125.330 -1.091 1
1 11 . 13 1 1 A 10 10 LEU H H 10 8.287 8.662 -0.375 1
1 12 . 13 1 1 A 10 10 LEU CA C 10 55.553 55.042 0.511 1
1 13 . 13 1 1 A 10 10 LEU HA H 10 4.390 4.457 -0.067 1
1 14 . 13 1 1 A 10 10 LEU CB C 10 42.168 42.503 -0.335 1
1 27 . 13 1 1 A 10 10 LEU C C 10 177.357 176.368 0.989 1
1 28 . 13 1 1 A 11 11 TRP N N 11 124.940 121.862 3.078 1
1 29 . 13 1 1 A 11 11 TRP H H 11 8.879 9.191 -0.312 1
1 30 . 13 1 1 A 11 11 TRP CA C 11 56.849 55.744 1.105 1
1 31 . 13 1 1 A 11 11 TRP HA H 11 4.668 5.473 -0.805 1
1 32 . 13 1 1 A 11 11 TRP CB C 11 28.603 32.592 -3.989 1
1 47 . 13 1 1 A 11 11 TRP C C 11 177.416 174.843 2.573 1
1 48 . 13 1 1 A 12 12 THR N N 12 115.857 115.894 -0.037 1
1 49 . 13 1 1 A 12 12 THR H H 12 8.760 8.470 0.290 1
1 50 . 13 1 1 A 12 12 THR CA C 12 60.885 59.511 1.374 1
1 51 . 13 1 1 A 12 12 THR HA H 12 4.509 5.001 -0.492 1
1 52 . 13 1 1 A 12 12 THR CB C 12 71.142 70.486 0.656 1
1 58 . 13 1 1 A 12 12 THR C C 12 175.828 175.744 0.084 1
1 59 . 13 1 1 A 13 13 VAL N N 13 121.033 127.536 -6.503 1
1 60 . 13 1 1 A 13 13 VAL H H 13 8.782 8.846 -0.064 1
1 61 . 13 1 1 A 13 13 VAL CA C 13 66.558 66.925 -0.367 1
1 62 . 13 1 1 A 13 13 VAL HA H 13 3.784 3.732 0.052 1
1 63 . 13 1 1 A 13 13 VAL CB C 13 31.659 31.772 -0.113 1
1 73 . 13 1 1 A 13 13 VAL C C 13 178.595 177.308 1.287 1
1 74 . 13 1 1 A 14 14 GLU N N 14 119.290 118.934 0.356 1
1 75 . 13 1 1 A 14 14 GLU H H 14 8.586 8.461 0.125 1
1 76 . 13 1 1 A 14 14 GLU CA C 14 60.285 59.649 0.636 1
1 77 . 13 1 1 A 14 14 GLU HA H 14 4.024 4.019 0.005 1
1 78 . 13 1 1 A 14 14 GLU CB C 14 29.039 29.266 -0.227 1
1 84 . 13 1 1 A 14 14 GLU C C 14 179.736 179.209 0.527 1
1 85 . 13 1 1 A 15 15 GLU N N 15 121.533 119.788 1.745 1
1 86 . 13 1 1 A 15 15 GLU H H 15 7.934 8.081 -0.147 1
1 87 . 13 1 1 A 15 15 GLU CA C 15 59.834 59.214 0.620 1
1 88 . 13 1 1 A 15 15 GLU HA H 15 3.990 4.138 -0.148 1
1 89 . 13 1 1 A 15 15 GLU CB C 15 31.315 29.384 1.931 1
1 95 . 13 1 1 A 15 15 GLU C C 15 178.886 179.344 -0.458 1
1 96 . 13 1 1 A 16 16 GLN N N 16 119.475 119.356 0.119 1
1 97 . 13 1 1 A 16 16 GLN H H 16 8.595 8.866 -0.271 1
1 98 . 13 1 1 A 16 16 GLN CA C 16 59.369 59.718 -0.349 1
1 99 . 13 1 1 A 16 16 GLN HA H 16 4.104 4.244 -0.140 1
1 100 . 13 1 1 A 16 16 GLN CB C 16 28.376 28.631 -0.255 1
1 109 . 13 1 1 A 16 16 GLN C C 16 178.548 178.454 0.094 1
1 110 . 13 1 1 A 17 17 LYS N N 17 119.404 118.935 0.469 1
1 111 . 13 1 1 A 17 17 LYS H H 17 8.241 8.130 0.111 1
1 112 . 13 1 1 A 17 17 LYS CA C 17 59.175 59.368 -0.193 1
1 113 . 13 1 1 A 17 17 LYS HA H 17 4.103 4.152 -0.049 1
1 114 . 13 1 1 A 17 17 LYS CB C 17 31.980 32.442 -0.462 1
1 126 . 13 1 1 A 17 17 LYS C C 17 179.663 178.737 0.926 1
1 127 . 13 1 1 A 18 18 LYS N N 18 120.546 119.612 0.934 1
1 128 . 13 1 1 A 18 18 LYS H H 18 7.852 8.021 -0.169 1
1 129 . 13 1 1 A 18 18 LYS CA C 18 59.432 59.639 -0.207 1
1 130 . 13 1 1 A 18 18 LYS HA H 18 4.157 4.058 0.099 1
1 131 . 13 1 1 A 18 18 LYS CB C 18 32.166 32.301 -0.135 1
1 143 . 13 1 1 A 18 18 LYS C C 18 179.003 178.879 0.124 1
1 144 . 13 1 1 A 19 19 LEU N N 19 120.782 121.179 -0.397 1
1 145 . 13 1 1 A 19 19 LEU H H 19 8.639 8.489 0.150 1
1 146 . 13 1 1 A 19 19 LEU CA C 19 58.729 58.293 0.436 1
1 147 . 13 1 1 A 19 19 LEU HA H 19 4.042 4.199 -0.157 1
1 148 . 13 1 1 A 19 19 LEU CB C 19 41.465 41.985 -0.520 1
1 161 . 13 1 1 A 19 19 LEU C C 19 177.410 178.679 -1.269 1
1 162 . 13 1 1 A 20 20 GLU N N 20 116.982 118.353 -1.371 1
1 163 . 13 1 1 A 20 20 GLU H H 20 7.981 8.276 -0.295 1
1 164 . 13 1 1 A 20 20 GLU CA C 20 60.285 59.927 0.358 1
1 165 . 13 1 1 A 20 20 GLU HA H 20 3.647 4.129 -0.482 1
1 166 . 13 1 1 A 20 20 GLU CB C 20 29.612 29.535 0.077 1
1 172 . 13 1 1 A 20 20 GLU C C 20 179.066 179.585 -0.519 1
1 173 . 13 1 1 A 21 21 GLN N N 21 115.877 119.217 -3.340 1
1 174 . 13 1 1 A 21 21 GLN H H 21 7.518 7.981 -0.463 1
1 175 . 13 1 1 A 21 21 GLN CA C 21 58.409 58.820 -0.411 1
1 176 . 13 1 1 A 21 21 GLN HA H 21 4.112 4.118 -0.006 1
1 177 . 13 1 1 A 21 21 GLN CB C 21 28.405 28.591 -0.186 1
1 186 . 13 1 1 A 21 21 GLN C C 21 180.271 178.949 1.322 1
1 187 . 13 1 1 A 22 22 LEU N N 22 123.461 120.560 2.901 1
1 188 . 13 1 1 A 22 22 LEU H H 22 8.775 8.048 0.727 1
1 189 . 13 1 1 A 22 22 LEU CA C 22 57.782 58.016 -0.234 1
1 190 . 13 1 1 A 22 22 LEU HA H 22 4.243 4.079 0.164 1
1 191 . 13 1 1 A 22 22 LEU CB C 22 42.687 41.575 1.112 1
1 204 . 13 1 1 A 22 22 LEU C C 22 178.112 179.389 -1.277 1
1 205 . 13 1 1 A 23 23 LEU N N 23 119.576 119.132 0.444 1
1 206 . 13 1 1 A 23 23 LEU H H 23 8.260 8.606 -0.346 1
1 207 . 13 1 1 A 23 23 LEU CA C 23 57.281 58.415 -1.134 1
1 208 . 13 1 1 A 23 23 LEU HA H 23 4.174 4.084 0.090 1
1 209 . 13 1 1 A 23 23 LEU CB C 23 42.175 41.574 0.601 1
1 222 . 13 1 1 A 23 23 LEU C C 23 177.927 179.176 -1.249 1
1 223 . 13 1 1 A 24 24 ILE N N 24 116.614 118.961 -2.347 1
1 224 . 13 1 1 A 24 24 ILE H H 24 6.949 7.768 -0.819 1
1 225 . 13 1 1 A 24 24 ILE CA C 24 62.755 65.454 -2.699 1
1 226 . 13 1 1 A 24 24 ILE HA H 24 3.787 3.582 0.205 1
1 227 . 13 1 1 A 24 24 ILE CB C 24 38.208 37.637 0.571 1
1 240 . 13 1 1 A 24 24 ILE C C 24 177.066 177.768 -0.702 1
1 241 . 13 1 1 A 25 25 LYS N N 25 121.060 122.448 -1.388 1
1 242 . 13 1 1 A 25 25 LYS H H 25 7.421 8.080 -0.659 1
1 243 . 13 1 1 A 25 25 LYS CA C 25 59.281 59.282 -0.001 1
1 244 . 13 1 1 A 25 25 LYS HA H 25 3.726 4.028 -0.302 1
1 245 . 13 1 1 A 25 25 LYS CB C 25 34.011 32.296 1.715 1
1 257 . 13 1 1 A 25 25 LYS C C 25 175.900 176.396 -0.496 1
1 258 . 13 1 1 A 26 26 TYR N N 26 117.015 117.236 -0.221 1
1 259 . 13 1 1 A 26 26 TYR H H 26 8.124 8.295 -0.171 1
1 260 . 13 1 1 A 26 26 TYR CA C 26 54.995 56.665 -1.670 1
1 261 . 13 1 1 A 26 26 TYR HA H 26 4.988 4.684 0.304 1
1 262 . 13 1 1 A 26 26 TYR CB C 26 37.055 38.472 -1.417 1
1 273 . 13 1 1 A 27 27 PRO CA C 27 62.102 61.679 0.423 1
1 274 . 13 1 1 A 27 27 PRO HA H 27 4.833 4.700 0.133 1
1 275 . 13 1 1 A 27 27 PRO CB C 27 30.960 31.419 -0.459 1
1 284 . 13 1 1 A 28 28 PRO CA C 28 64.218 62.749 1.469 1
1 285 . 13 1 1 A 28 28 PRO HA H 28 4.127 4.629 -0.502 1
1 286 . 13 1 1 A 28 28 PRO CB C 28 31.726 32.547 -0.821 1
1 295 . 13 1 1 A 28 28 PRO C C 28 175.552 176.491 -0.939 1
1 296 . 13 1 1 A 29 29 GLU N N 29 120.378 119.001 1.377 1
1 297 . 13 1 1 A 29 29 GLU H H 29 8.473 8.335 0.138 1
1 298 . 13 1 1 A 29 29 GLU CA C 29 54.425 54.614 -0.189 1
1 299 . 13 1 1 A 29 29 GLU HA H 29 4.734 4.758 -0.024 1
1 300 . 13 1 1 A 29 29 GLU CB C 29 33.430 31.442 1.988 1
1 306 . 13 1 1 A 29 29 GLU C C 29 175.244 176.649 -1.405 1
1 307 . 13 1 1 A 30 30 GLU N N 30 120.351 118.147 2.204 1
1 308 . 13 1 1 A 30 30 GLU H H 30 8.502 8.894 -0.392 1
1 309 . 13 1 1 A 30 30 GLU CA C 30 60.066 58.083 1.983 1
1 310 . 13 1 1 A 30 30 GLU HA H 30 3.898 4.176 -0.278 1
1 311 . 13 1 1 A 30 30 GLU CB C 30 30.038 30.297 -0.259 1
1 317 . 13 1 1 A 30 30 GLU C C 30 177.211 176.751 0.460 1
1 318 . 13 1 1 A 31 31 VAL N N 31 119.224 119.782 -0.558 1
1 319 . 13 1 1 A 31 31 VAL H H 31 8.363 7.991 0.372 1
1 320 . 13 1 1 A 31 31 VAL CA C 31 61.327 61.493 -0.166 1
1 321 . 13 1 1 A 31 31 VAL HA H 31 4.154 4.190 -0.036 1
1 322 . 13 1 1 A 31 31 VAL CB C 31 30.937 31.247 -0.310 1
1 332 . 13 1 1 A 31 31 VAL C C 31 176.298 176.547 -0.249 1
1 333 . 13 1 1 A 32 32 GLU N N 32 128.219 125.922 2.297 1
1 334 . 13 1 1 A 32 32 GLU H H 32 8.453 8.543 -0.090 1
1 335 . 13 1 1 A 32 32 GLU CA C 32 59.610 58.703 0.907 1
1 336 . 13 1 1 A 32 32 GLU HA H 32 3.729 3.732 -0.003 1
1 337 . 13 1 1 A 32 32 GLU CB C 32 29.649 28.897 0.752 1
1 342 . 13 1 1 A 32 32 GLU C C 32 177.405 177.882 -0.477 1
1 343 . 13 1 1 A 33 33 SER N N 33 111.772 115.576 -3.804 1
1 344 . 13 1 1 A 33 33 SER H H 33 8.368 7.919 0.449 1
1 345 . 13 1 1 A 33 33 SER CA C 33 61.378 61.634 -0.256 1
1 346 . 13 1 1 A 33 33 SER HA H 33 4.087 4.229 -0.142 1
1 347 . 13 1 1 A 33 33 SER CB C 33 61.842 62.977 -1.135 1
1 350 . 13 1 1 A 33 33 SER C C 33 177.086 176.710 0.376 1
1 351 . 13 1 1 A 34 34 ARG N N 34 121.109 119.461 1.648 1
1 352 . 13 1 1 A 34 34 ARG H H 34 7.445 7.668 -0.223 1
1 353 . 13 1 1 A 34 34 ARG CA C 34 58.682 58.839 -0.157 1
1 354 . 13 1 1 A 34 34 ARG HA H 34 4.067 4.015 0.052 1
1 355 . 13 1 1 A 34 34 ARG CB C 34 30.095 29.737 0.358 1
1 364 . 13 1 1 A 34 34 ARG C C 34 178.697 178.416 0.281 1
1 365 . 13 1 1 A 35 35 ARG N N 35 122.297 119.135 3.162 1
1 366 . 13 1 1 A 35 35 ARG H H 35 6.826 7.202 -0.376 1
1 367 . 13 1 1 A 35 35 ARG CA C 35 59.479 58.469 1.010 1
1 368 . 13 1 1 A 35 35 ARG HA H 35 3.718 3.748 -0.030 1
1 369 . 13 1 1 A 35 35 ARG CB C 35 30.578 29.141 1.437 1
1 380 . 13 1 1 A 35 35 ARG C C 35 178.318 178.612 -0.294 1
1 381 . 13 1 1 A 36 36 TRP N N 36 115.557 120.205 -4.648 1
1 382 . 13 1 1 A 36 36 TRP H H 36 7.702 7.440 0.262 1
1 383 . 13 1 1 A 36 36 TRP CA C 36 58.127 59.676 -1.549 1
1 384 . 13 1 1 A 36 36 TRP HA H 36 4.929 4.366 0.563 1
1 385 . 13 1 1 A 36 36 TRP CB C 36 30.618 29.502 1.116 1
1 400 . 13 1 1 A 36 36 TRP C C 36 178.742 178.808 -0.066 1
1 401 . 13 1 1 A 37 37 GLN N N 37 117.116 119.752 -2.636 1
1 402 . 13 1 1 A 37 37 GLN H H 37 7.923 8.274 -0.351 1
1 403 . 13 1 1 A 37 37 GLN CA C 37 58.501 58.941 -0.440 1
1 404 . 13 1 1 A 37 37 GLN HA H 37 3.950 4.000 -0.050 1
1 405 . 13 1 1 A 37 37 GLN CB C 37 28.719 28.497 0.222 1
1 414 . 13 1 1 A 37 37 GLN C C 37 177.079 178.217 -1.138 1
1 415 . 13 1 1 A 38 38 LYS N N 38 119.256 117.540 1.716 1
1 416 . 13 1 1 A 38 38 LYS H H 38 7.543 7.570 -0.027 1
1 417 . 13 1 1 A 38 38 LYS CA C 38 59.855 58.968 0.887 1
1 418 . 13 1 1 A 38 38 LYS HA H 38 3.875 3.856 0.019 1
1 419 . 13 1 1 A 38 38 LYS CB C 38 31.717 31.885 -0.168 1
1 431 . 13 1 1 A 38 38 LYS C C 38 179.773 179.090 0.683 1
1 432 . 13 1 1 A 39 39 ILE N N 39 117.818 120.557 -2.739 1
1 433 . 13 1 1 A 39 39 ILE H H 39 7.614 7.371 0.243 1
1 434 . 13 1 1 A 39 39 ILE CA C 39 66.296 65.525 0.771 1
1 435 . 13 1 1 A 39 39 ILE HA H 39 3.534 3.656 -0.122 1
1 436 . 13 1 1 A 39 39 ILE CB C 39 38.526 38.024 0.502 1
1 449 . 13 1 1 A 39 39 ILE C C 39 177.376 177.982 -0.606 1
1 450 . 13 1 1 A 40 40 ALA N N 40 122.394 122.343 0.051 1
1 451 . 13 1 1 A 40 40 ALA H H 40 8.680 8.511 0.169 1
1 452 . 13 1 1 A 40 40 ALA CA C 40 56.117 55.858 0.259 1
1 453 . 13 1 1 A 40 40 ALA HA H 40 3.732 4.042 -0.310 1
1 454 . 13 1 1 A 40 40 ALA CB C 40 17.581 18.321 -0.740 1
1 458 . 13 1 1 A 40 40 ALA C C 40 180.101 178.788 1.313 1
1 459 . 13 1 1 A 41 41 ASP N N 41 117.487 118.583 -1.096 1
1 460 . 13 1 1 A 41 41 ASP H H 41 8.516 8.465 0.051 1
1 461 . 13 1 1 A 41 41 ASP CA C 41 57.069 57.828 -0.759 1
1 462 . 13 1 1 A 41 41 ASP HA H 41 4.425 4.332 0.093 1
1 463 . 13 1 1 A 41 41 ASP CB C 41 40.176 41.012 -0.836 1
1 466 . 13 1 1 A 41 41 ASP C C 41 178.731 178.637 0.094 1
1 467 . 13 1 1 A 42 42 GLU N N 42 118.631 117.585 1.046 1
1 468 . 13 1 1 A 42 42 GLU H H 42 7.391 7.981 -0.590 1
1 469 . 13 1 1 A 42 42 GLU CA C 42 59.678 59.297 0.381 1
1 470 . 13 1 1 A 42 42 GLU HA H 42 4.246 4.053 0.193 1
1 471 . 13 1 1 A 42 42 GLU CB C 42 29.612 29.579 0.033 1
1 477 . 13 1 1 A 42 42 GLU C C 42 178.559 179.342 -0.783 1
1 478 . 13 1 1 A 43 43 LEU N N 43 120.834 119.210 1.624 1
1 479 . 13 1 1 A 43 43 LEU H H 43 8.247 7.571 0.676 1
1 480 . 13 1 1 A 43 43 LEU CA C 43 57.274 56.365 0.909 1
1 481 . 13 1 1 A 43 43 LEU HA H 43 4.171 4.045 0.126 1
1 482 . 13 1 1 A 43 43 LEU CB C 43 42.237 42.551 -0.314 1
1 495 . 13 1 1 A 43 43 LEU C C 43 179.282 177.047 2.235 1
1 496 . 13 1 1 A 44 44 GLY N N 44 106.089 107.967 -1.878 1
1 497 . 13 1 1 A 44 44 GLY H H 44 8.218 7.994 0.224 1
1 498 . 13 1 1 A 44 44 GLY CA C 44 46.203 45.572 0.631 1
1 499 . 13 1 1 A 44 44 GLY HA2 H 44 3.738 3.986 -0.248 1
1 500 . 13 1 1 A 44 44 GLY HA3 H 44 4.181 3.989 0.192 1
1 501 . 13 1 1 A 44 44 GLY C C 44 174.363 175.723 -1.360 1
1 502 . 13 1 1 A 45 45 ASN N N 45 117.303 117.168 0.135 1
1 503 . 13 1 1 A 45 45 ASN H H 45 8.060 8.105 -0.045 1
1 504 . 13 1 1 A 45 45 ASN CA C 45 52.872 55.002 -2.130 1
1 505 . 13 1 1 A 45 45 ASN HA H 45 4.637 4.616 0.021 1
1 506 . 13 1 1 A 45 45 ASN CB C 45 38.017 38.421 -0.404 1
1 512 . 13 1 1 A 45 45 ASN C C 45 174.403 176.274 -1.871 1
1 513 . 13 1 1 A 46 46 ARG N N 46 115.501 117.108 -1.607 1
1 514 . 13 1 1 A 46 46 ARG H H 46 7.091 7.736 -0.645 1
1 515 . 13 1 1 A 46 46 ARG CA C 46 52.521 55.614 -3.093 1
1 516 . 13 1 1 A 46 46 ARG HA H 46 4.948 4.416 0.532 1
1 517 . 13 1 1 A 46 46 ARG CB C 46 35.298 31.399 3.899 1
1 528 . 13 1 1 A 46 46 ARG C C 46 175.373 175.921 -0.548 1
1 529 . 13 1 1 A 47 47 THR N N 47 110.043 112.093 -2.050 1
1 530 . 13 1 1 A 47 47 THR H H 47 8.411 8.460 -0.049 1
1 531 . 13 1 1 A 47 47 THR CA C 47 59.643 59.373 0.270 1
1 532 . 13 1 1 A 47 47 THR HA H 47 4.602 4.982 -0.380 1
1 533 . 13 1 1 A 47 47 THR CB C 47 71.307 72.044 -0.737 1
1 539 . 13 1 1 A 47 47 THR C C 47 175.891 175.560 0.331 1
1 540 . 13 1 1 A 48 48 ALA N N 48 123.448 125.098 -1.650 1
1 541 . 13 1 1 A 48 48 ALA H H 48 9.205 9.082 0.123 1
1 542 . 13 1 1 A 48 48 ALA CA C 48 55.820 55.844 -0.024 1
1 543 . 13 1 1 A 48 48 ALA HA H 48 3.869 4.095 -0.226 1
1 544 . 13 1 1 A 48 48 ALA CB C 48 17.997 18.503 -0.506 1
1 548 . 13 1 1 A 48 48 ALA C C 48 179.731 179.601 0.130 1
1 549 . 13 1 1 A 49 49 LYS N N 49 117.235 117.646 -0.411 1
1 550 . 13 1 1 A 49 49 LYS H H 49 8.127 8.264 -0.137 1
1 551 . 13 1 1 A 49 49 LYS CA C 49 59.436 59.625 -0.189 1
1 552 . 13 1 1 A 49 49 LYS HA H 49 4.008 3.889 0.119 1
1 553 . 13 1 1 A 49 49 LYS CB C 49 32.661 32.263 0.398 1
1 565 . 13 1 1 A 49 49 LYS C C 49 179.567 178.964 0.603 1
1 566 . 13 1 1 A 50 50 GLN N N 50 119.324 118.420 0.904 1
1 567 . 13 1 1 A 50 50 GLN H H 50 7.753 7.763 -0.010 1
1 568 . 13 1 1 A 50 50 GLN CA C 50 58.938 59.106 -0.168 1
1 569 . 13 1 1 A 50 50 GLN HA H 50 4.191 4.035 0.156 1
1 570 . 13 1 1 A 50 50 GLN CB C 50 29.389 28.344 1.045 1
1 579 . 13 1 1 A 50 50 GLN C C 50 180.097 178.377 1.720 1
1 580 . 13 1 1 A 51 51 VAL N N 51 120.881 120.683 0.198 1
1 581 . 13 1 1 A 51 51 VAL H H 51 8.397 7.922 0.475 1
1 582 . 13 1 1 A 51 51 VAL CA C 51 67.510 66.259 1.251 1
1 583 . 13 1 1 A 51 51 VAL HA H 51 3.491 3.739 -0.248 1
1 584 . 13 1 1 A 51 51 VAL CB C 51 31.871 31.443 0.428 1
1 594 . 13 1 1 A 51 51 VAL C C 51 176.150 177.415 -1.265 1
1 595 . 13 1 1 A 52 52 ALA N N 52 120.695 122.112 -1.417 1
1 596 . 13 1 1 A 52 52 ALA H H 52 8.057 8.533 -0.476 1
1 597 . 13 1 1 A 52 52 ALA CA C 52 55.307 54.877 0.430 1
1 598 . 13 1 1 A 52 52 ALA HA H 52 2.379 2.642 -0.263 1
1 599 . 13 1 1 A 52 52 ALA CB C 52 17.410 17.969 -0.559 1
1 603 . 13 1 1 A 52 52 ALA C C 52 180.088 179.357 0.731 1
1 604 . 13 1 1 A 53 53 SER N N 53 110.953 113.341 -2.388 1
1 605 . 13 1 1 A 53 53 SER H H 53 7.653 7.906 -0.253 1
1 606 . 13 1 1 A 53 53 SER CA C 53 61.291 61.294 -0.003 1
1 607 . 13 1 1 A 53 53 SER HA H 53 4.049 4.030 0.019 1
1 608 . 13 1 1 A 53 53 SER CB C 53 63.032 62.751 0.281 1
1 610 . 13 1 1 A 53 53 SER C C 53 180.076 176.047 4.029 1
1 611 . 13 1 1 A 54 54 GLN N N 54 123.306 121.092 2.214 1
1 612 . 13 1 1 A 54 54 GLN H H 54 7.615 7.409 0.206 1
1 613 . 13 1 1 A 54 54 GLN CA C 54 57.843 58.285 -0.442 1
1 614 . 13 1 1 A 54 54 GLN HA H 54 3.844 3.714 0.130 1
1 615 . 13 1 1 A 54 54 GLN CB C 54 27.422 28.174 -0.752 1
1 624 . 13 1 1 A 55 55 VAL N N 55 119.150 119.484 -0.334 1
1 625 . 13 1 1 A 55 55 VAL H H 55 8.266 7.922 0.344 1
1 626 . 13 1 1 A 55 55 VAL CA C 55 66.491 66.154 0.337 1
1 627 . 13 1 1 A 55 55 VAL HA H 55 3.417 3.500 -0.083 1
1 628 . 13 1 1 A 55 55 VAL CB C 55 31.306 31.614 -0.308 1
1 638 . 13 1 1 A 55 55 VAL C C 55 177.640 178.072 -0.432 1
1 639 . 13 1 1 A 56 56 GLN N N 56 116.992 118.921 -1.929 1
1 640 . 13 1 1 A 56 56 GLN H H 56 7.578 7.695 -0.117 1
1 641 . 13 1 1 A 56 56 GLN CA C 56 58.616 59.303 -0.687 1
1 642 . 13 1 1 A 56 56 GLN HA H 56 3.964 3.926 0.038 1
1 643 . 13 1 1 A 56 56 GLN CB C 56 28.115 28.353 -0.238 1
1 652 . 13 1 1 A 56 56 GLN C C 56 177.976 178.565 -0.589 1
1 653 . 13 1 1 A 57 57 LYS N N 57 117.073 117.940 -0.867 1
1 654 . 13 1 1 A 57 57 LYS H H 57 7.378 7.600 -0.222 1
1 655 . 13 1 1 A 57 57 LYS CA C 57 58.958 57.840 1.118 1
1 656 . 13 1 1 A 57 57 LYS HA H 57 3.897 4.251 -0.354 1
1 657 . 13 1 1 A 57 57 LYS CB C 57 32.837 31.861 0.976 1
1 669 . 13 1 1 A 57 57 LYS C C 57 178.237 176.906 1.331 1
1 670 . 13 1 1 A 58 58 TYR N N 58 117.398 117.372 0.026 1
1 671 . 13 1 1 A 58 58 TYR H H 58 7.722 8.016 -0.294 1
1 672 . 13 1 1 A 58 58 TYR CA C 58 59.231 59.778 -0.547 1
1 673 . 13 1 1 A 58 58 TYR HA H 58 4.422 4.487 -0.065 1
1 674 . 13 1 1 A 58 58 TYR CB C 58 38.850 40.101 -1.251 1
1 685 . 13 1 1 A 58 58 TYR C C 58 176.329 176.893 -0.564 1
1 686 . 13 1 1 A 59 59 PHE N N 59 118.720 115.806 2.914 1
1 687 . 13 1 1 A 59 59 PHE H H 59 8.197 8.141 0.056 1
1 688 . 13 1 1 A 59 59 PHE CA C 59 59.396 58.972 0.424 1
1 689 . 13 1 1 A 59 59 PHE HA H 59 4.487 4.644 -0.157 1
1 690 . 13 1 1 A 59 59 PHE CB C 59 39.309 40.246 -0.937 1
1 703 . 13 1 1 A 59 59 PHE C C 59 177.355 177.196 0.159 1
1 704 . 13 1 1 A 60 60 ILE N N 60 120.989 119.824 1.165 1
1 705 . 13 1 1 A 60 60 ILE H H 60 7.940 8.338 -0.398 1
1 706 . 13 1 1 A 60 60 ILE CA C 60 63.239 64.573 -1.334 1
1 707 . 13 1 1 A 60 60 ILE HA H 60 3.937 3.748 0.189 1
1 708 . 13 1 1 A 60 60 ILE CB C 60 38.017 36.446 1.571 1
1 721 . 13 1 1 A 60 60 ILE C C 60 177.197 178.031 -0.834 1
1 722 . 13 1 1 A 61 61 LYS N N 61 122.558 121.862 0.696 1
1 723 . 13 1 1 A 61 61 LYS H H 61 8.056 7.671 0.385 1
1 724 . 13 1 1 A 61 61 LYS CA C 61 57.840 60.185 -2.345 1
1 725 . 13 1 1 A 61 61 LYS HA H 61 4.158 4.550 -0.392 1
1 726 . 13 1 1 A 61 61 LYS CB C 61 32.480 32.122 0.358 1
1 738 . 13 1 1 A 61 61 LYS C C 61 177.737 179.269 -1.532 1
1 739 . 13 1 1 A 62 62 LEU N N 62 120.763 116.860 3.903 1
1 740 . 13 1 1 A 62 62 LEU H H 62 8.145 8.064 0.081 1
1 741 . 13 1 1 A 62 62 LEU CA C 62 55.989 57.800 -1.811 1
1 742 . 13 1 1 A 62 62 LEU HA H 62 4.302 4.058 0.244 1
1 743 . 13 1 1 A 62 62 LEU CB C 62 42.379 41.308 1.071 1
1 756 . 13 1 1 A 62 62 LEU C C 62 178.178 177.389 0.789 1
1 757 . 13 1 1 A 63 63 THR N N 63 113.377 116.152 -2.775 1
1 758 . 13 1 1 A 63 63 THR H H 63 8.043 7.187 0.856 1
1 759 . 13 1 1 A 63 63 THR CA C 63 63.007 64.189 -1.182 1
1 760 . 13 1 1 A 63 63 THR HA H 63 4.285 4.167 0.118 1
1 761 . 13 1 1 A 63 63 THR CB C 63 70.153 69.319 0.834 1
1 767 . 13 1 1 A 63 63 THR C C 63 175.775 177.179 -1.404 1
1 768 . 13 1 1 A 64 64 LYS N N 64 122.961 125.616 -2.655 1
1 769 . 13 1 1 A 64 64 LYS H H 64 8.333 8.667 -0.334 1
1 770 . 13 1 1 A 64 64 LYS CA C 64 57.298 58.963 -1.665 1
1 771 . 13 1 1 A 64 64 LYS HA H 64 4.218 4.016 0.202 1
1 772 . 13 1 1 A 64 64 LYS CB C 64 32.578 32.003 0.575 1
1 784 . 13 1 1 A 64 64 LYS C C 64 176.684 178.165 -1.481 1
1 785 . 13 1 1 A 65 65 ALA N N 65 123.107 121.555 1.552 1
1 786 . 13 1 1 A 65 65 ALA H H 65 8.024 8.102 -0.078 1
1 787 . 13 1 1 A 65 65 ALA CA C 65 52.597 55.134 -2.537 1
1 788 . 13 1 1 A 65 65 ALA HA H 65 4.323 4.073 0.250 1
1 789 . 13 1 1 A 65 65 ALA CB C 65 19.229 18.331 0.898 1
1 793 . 13 1 1 A 65 65 ALA C C 65 178.017 179.050 -1.033 1
1 794 . 13 1 1 A 66 66 GLY N N 66 107.464 105.086 2.378 1
1 795 . 13 1 1 A 66 66 GLY H H 66 8.165 8.128 0.037 1
1 796 . 13 1 1 A 66 66 GLY CA C 66 45.223 46.208 -0.985 1
1 797 . 13 1 1 A 66 66 GLY HA2 H 66 3.955 3.960 -0.005 1
1 798 . 13 1 1 A 66 66 GLY HA3 H 66 3.888 3.966 -0.078 1
1 799 . 13 1 1 A 66 66 GLY C C 66 173.809 173.715 0.094 1
1 800 . 13 1 1 A 67 67 ILE N N 67 121.784 121.350 0.434 1
1 801 . 13 1 1 A 67 67 ILE H H 67 7.825 7.015 0.810 1
1 802 . 13 1 1 A 67 67 ILE CA C 67 58.397 57.860 0.537 1
1 803 . 13 1 1 A 67 67 ILE HA H 67 4.457 4.402 0.055 1
1 804 . 13 1 1 A 67 67 ILE CB C 67 38.622 38.155 0.467 1
1 817 . 13 1 1 A 67 67 ILE C C 67 174.638 174.559 0.079 1
1 818 . 13 1 1 A 68 68 PRO CA C 68 63.157 62.938 0.219 1
1 819 . 13 1 1 A 68 68 PRO HA H 68 4.499 4.639 -0.140 1
1 820 . 13 1 1 A 68 68 PRO CB C 68 31.946 32.414 -0.468 1
1 829 . 13 1 1 A 68 68 PRO C C 68 176.866 177.679 -0.813 1
1 830 . 13 1 1 A 69 69 VAL N N 69 120.953 120.139 0.814 1
1 831 . 13 1 1 A 69 69 VAL H H 69 8.269 8.635 -0.366 1
1 832 . 13 1 1 A 69 69 VAL CA C 69 62.460 65.354 -2.894 1
1 833 . 13 1 1 A 69 69 VAL HA H 69 4.112 3.801 0.311 1
1 834 . 13 1 1 A 69 69 VAL CB C 69 32.882 31.927 0.955 1
1 844 . 13 1 1 A 69 69 VAL C C 69 176.217 176.412 -0.195 1
1 845 . 13 1 1 A 70 70 SER N N 70 118.672 115.490 3.182 1
1 846 . 13 1 1 A 70 70 SER H H 70 8.321 7.951 0.370 1
1 847 . 13 1 1 A 70 70 SER CA C 70 58.127 57.382 0.745 1
1 848 . 13 1 1 A 70 70 SER HA H 70 4.536 4.766 -0.230 1
1 849 . 13 1 1 A 70 70 SER CB C 70 64.051 66.042 -1.991 1
1 852 . 13 1 1 A 70 70 SER C C 70 174.419 174.562 -0.143 1
1 853 . 13 1 1 A 72 72 PRO CA C 72 63.221 63.477 -0.256 1
1 854 . 13 1 1 A 72 72 PRO HA H 72 4.480 4.451 0.029 1
1 855 . 13 1 1 A 72 72 PRO CB C 72 32.287 32.163 0.124 1
1 864 . 13 1 1 A 73 73 SER N N 73 116.355 117.793 -1.438 1
1 865 . 13 1 1 A 73 73 SER H H 73 8.521 8.921 -0.400 1
1 866 . 13 1 1 A 73 73 SER CA C 73 58.407 59.221 -0.814 1
1 867 . 13 1 1 A 73 73 SER HA H 73 4.580 4.109 0.471 1
1 868 . 13 1 1 A 73 73 SER CB C 73 63.942 61.407 2.535 1
1 1 . 14 1 1 A 9 9 GLN CA C 9 56.082 54.475 1.607 1
1 2 . 14 1 1 A 9 9 GLN HA H 9 4.326 4.808 -0.482 1
1 3 . 14 1 1 A 9 9 GLN CB C 9 29.035 31.946 -2.911 1
1 9 . 14 1 1 A 9 9 GLN C C 9 176.519 173.923 2.596 1
1 10 . 14 1 1 A 10 10 LEU N N 10 124.239 124.118 0.121 1
1 11 . 14 1 1 A 10 10 LEU H H 10 8.287 9.167 -0.880 1
1 12 . 14 1 1 A 10 10 LEU CA C 10 55.553 53.589 1.964 1
1 13 . 14 1 1 A 10 10 LEU HA H 10 4.390 5.028 -0.638 1
1 14 . 14 1 1 A 10 10 LEU CB C 10 42.168 44.280 -2.112 1
1 27 . 14 1 1 A 10 10 LEU C C 10 177.357 177.414 -0.057 1
1 28 . 14 1 1 A 11 11 TRP N N 11 124.940 121.701 3.239 1
1 29 . 14 1 1 A 11 11 TRP H H 11 8.879 8.755 0.124 1
1 30 . 14 1 1 A 11 11 TRP CA C 11 56.849 58.205 -1.356 1
1 31 . 14 1 1 A 11 11 TRP HA H 11 4.668 4.704 -0.036 1
1 32 . 14 1 1 A 11 11 TRP CB C 11 28.603 30.244 -1.641 1
1 47 . 14 1 1 A 11 11 TRP C C 11 177.416 177.033 0.383 1
1 48 . 14 1 1 A 12 12 THR N N 12 115.857 114.632 1.225 1
1 49 . 14 1 1 A 12 12 THR H H 12 8.760 8.702 0.058 1
1 50 . 14 1 1 A 12 12 THR CA C 12 60.885 60.486 0.399 1
1 51 . 14 1 1 A 12 12 THR HA H 12 4.509 4.739 -0.230 1
1 52 . 14 1 1 A 12 12 THR CB C 12 71.142 71.635 -0.493 1
1 58 . 14 1 1 A 12 12 THR C C 12 175.828 175.617 0.211 1
1 59 . 14 1 1 A 13 13 VAL N N 13 121.033 122.373 -1.340 1
1 60 . 14 1 1 A 13 13 VAL H H 13 8.782 8.864 -0.082 1
1 61 . 14 1 1 A 13 13 VAL CA C 13 66.558 65.174 1.384 1
1 62 . 14 1 1 A 13 13 VAL HA H 13 3.784 3.947 -0.163 1
1 63 . 14 1 1 A 13 13 VAL CB C 13 31.659 31.550 0.109 1
1 73 . 14 1 1 A 13 13 VAL C C 13 178.595 178.005 0.590 1
1 74 . 14 1 1 A 14 14 GLU N N 14 119.290 121.721 -2.431 1
1 75 . 14 1 1 A 14 14 GLU H H 14 8.586 8.512 0.074 1
1 76 . 14 1 1 A 14 14 GLU CA C 14 60.285 59.864 0.421 1
1 77 . 14 1 1 A 14 14 GLU HA H 14 4.024 4.002 0.022 1
1 78 . 14 1 1 A 14 14 GLU CB C 14 29.039 29.231 -0.192 1
1 84 . 14 1 1 A 14 14 GLU C C 14 179.736 179.399 0.337 1
1 85 . 14 1 1 A 15 15 GLU N N 15 121.533 120.388 1.145 1
1 86 . 14 1 1 A 15 15 GLU H H 15 7.934 7.883 0.051 1
1 87 . 14 1 1 A 15 15 GLU CA C 15 59.834 59.151 0.683 1
1 88 . 14 1 1 A 15 15 GLU HA H 15 3.990 4.168 -0.178 1
1 89 . 14 1 1 A 15 15 GLU CB C 15 31.315 29.274 2.041 1
1 95 . 14 1 1 A 15 15 GLU C C 15 178.886 179.183 -0.297 1
1 96 . 14 1 1 A 16 16 GLN N N 16 119.475 119.181 0.294 1
1 97 . 14 1 1 A 16 16 GLN H H 16 8.595 8.843 -0.248 1
1 98 . 14 1 1 A 16 16 GLN CA C 16 59.369 59.436 -0.067 1
1 99 . 14 1 1 A 16 16 GLN HA H 16 4.104 4.205 -0.101 1
1 100 . 14 1 1 A 16 16 GLN CB C 16 28.376 28.603 -0.227 1
1 109 . 14 1 1 A 16 16 GLN C C 16 178.548 178.544 0.004 1
1 110 . 14 1 1 A 17 17 LYS N N 17 119.404 118.826 0.578 1
1 111 . 14 1 1 A 17 17 LYS H H 17 8.241 8.085 0.156 1
1 112 . 14 1 1 A 17 17 LYS CA C 17 59.175 59.322 -0.147 1
1 113 . 14 1 1 A 17 17 LYS HA H 17 4.103 4.151 -0.048 1
1 114 . 14 1 1 A 17 17 LYS CB C 17 31.980 32.151 -0.171 1
1 126 . 14 1 1 A 17 17 LYS C C 17 179.663 178.926 0.737 1
1 127 . 14 1 1 A 18 18 LYS N N 18 120.546 119.561 0.985 1
1 128 . 14 1 1 A 18 18 LYS H H 18 7.852 7.779 0.073 1
1 129 . 14 1 1 A 18 18 LYS CA C 18 59.432 59.385 0.047 1
1 130 . 14 1 1 A 18 18 LYS HA H 18 4.157 4.209 -0.052 1
1 131 . 14 1 1 A 18 18 LYS CB C 18 32.166 32.445 -0.279 1
1 143 . 14 1 1 A 18 18 LYS C C 18 179.003 178.915 0.088 1
1 144 . 14 1 1 A 19 19 LEU N N 19 120.782 121.153 -0.371 1
1 145 . 14 1 1 A 19 19 LEU H H 19 8.639 8.555 0.084 1
1 146 . 14 1 1 A 19 19 LEU CA C 19 58.729 58.330 0.399 1
1 147 . 14 1 1 A 19 19 LEU HA H 19 4.042 4.096 -0.054 1
1 148 . 14 1 1 A 19 19 LEU CB C 19 41.465 41.605 -0.140 1
1 161 . 14 1 1 A 19 19 LEU C C 19 177.410 178.744 -1.334 1
1 162 . 14 1 1 A 20 20 GLU N N 20 116.982 118.142 -1.160 1
1 163 . 14 1 1 A 20 20 GLU H H 20 7.981 8.173 -0.192 1
1 164 . 14 1 1 A 20 20 GLU CA C 20 60.285 59.797 0.488 1
1 165 . 14 1 1 A 20 20 GLU HA H 20 3.647 4.081 -0.434 1
1 166 . 14 1 1 A 20 20 GLU CB C 20 29.612 29.276 0.336 1
1 172 . 14 1 1 A 20 20 GLU C C 20 179.066 179.573 -0.507 1
1 173 . 14 1 1 A 21 21 GLN N N 21 115.877 118.967 -3.090 1
1 174 . 14 1 1 A 21 21 GLN H H 21 7.518 7.893 -0.375 1
1 175 . 14 1 1 A 21 21 GLN CA C 21 58.409 58.882 -0.473 1
1 176 . 14 1 1 A 21 21 GLN HA H 21 4.112 4.012 0.100 1
1 177 . 14 1 1 A 21 21 GLN CB C 21 28.405 28.113 0.292 1
1 186 . 14 1 1 A 21 21 GLN C C 21 180.271 179.007 1.264 1
1 187 . 14 1 1 A 22 22 LEU N N 22 123.461 120.902 2.559 1
1 188 . 14 1 1 A 22 22 LEU H H 22 8.775 8.203 0.572 1
1 189 . 14 1 1 A 22 22 LEU CA C 22 57.782 57.982 -0.200 1
1 190 . 14 1 1 A 22 22 LEU HA H 22 4.243 4.169 0.074 1
1 191 . 14 1 1 A 22 22 LEU CB C 22 42.687 41.886 0.801 1
1 204 . 14 1 1 A 22 22 LEU C C 22 178.112 179.241 -1.129 1
1 205 . 14 1 1 A 23 23 LEU N N 23 119.576 117.882 1.694 1
1 206 . 14 1 1 A 23 23 LEU H H 23 8.260 8.722 -0.462 1
1 207 . 14 1 1 A 23 23 LEU CA C 23 57.281 58.424 -1.143 1
1 208 . 14 1 1 A 23 23 LEU HA H 23 4.174 4.058 0.116 1
1 209 . 14 1 1 A 23 23 LEU CB C 23 42.175 41.803 0.372 1
1 222 . 14 1 1 A 23 23 LEU C C 23 177.927 179.188 -1.261 1
1 223 . 14 1 1 A 24 24 ILE N N 24 116.614 119.486 -2.872 1
1 224 . 14 1 1 A 24 24 ILE H H 24 6.949 8.113 -1.164 1
1 225 . 14 1 1 A 24 24 ILE CA C 24 62.755 65.245 -2.490 1
1 226 . 14 1 1 A 24 24 ILE HA H 24 3.787 3.618 0.169 1
1 227 . 14 1 1 A 24 24 ILE CB C 24 38.208 37.485 0.723 1
1 240 . 14 1 1 A 24 24 ILE C C 24 177.066 177.820 -0.754 1
1 241 . 14 1 1 A 25 25 LYS N N 25 121.060 122.278 -1.218 1
1 242 . 14 1 1 A 25 25 LYS H H 25 7.421 8.197 -0.776 1
1 243 . 14 1 1 A 25 25 LYS CA C 25 59.281 59.249 0.032 1
1 244 . 14 1 1 A 25 25 LYS HA H 25 3.726 4.030 -0.304 1
1 245 . 14 1 1 A 25 25 LYS CB C 25 34.011 32.527 1.484 1
1 257 . 14 1 1 A 25 25 LYS C C 25 175.900 176.400 -0.500 1
1 258 . 14 1 1 A 26 26 TYR N N 26 117.015 117.282 -0.267 1
1 259 . 14 1 1 A 26 26 TYR H H 26 8.124 8.508 -0.384 1
1 260 . 14 1 1 A 26 26 TYR CA C 26 54.995 57.113 -2.118 1
1 261 . 14 1 1 A 26 26 TYR HA H 26 4.988 4.673 0.315 1
1 262 . 14 1 1 A 26 26 TYR CB C 26 37.055 38.382 -1.327 1
1 273 . 14 1 1 A 27 27 PRO CA C 27 62.102 61.701 0.401 1
1 274 . 14 1 1 A 27 27 PRO HA H 27 4.833 4.640 0.193 1
1 275 . 14 1 1 A 27 27 PRO CB C 27 30.960 31.675 -0.715 1
1 284 . 14 1 1 A 28 28 PRO CA C 28 64.218 62.727 1.491 1
1 285 . 14 1 1 A 28 28 PRO HA H 28 4.127 4.565 -0.438 1
1 286 . 14 1 1 A 28 28 PRO CB C 28 31.726 31.808 -0.082 1
1 295 . 14 1 1 A 28 28 PRO C C 28 175.552 176.578 -1.026 1
1 296 . 14 1 1 A 29 29 GLU N N 29 120.378 119.139 1.239 1
1 297 . 14 1 1 A 29 29 GLU H H 29 8.473 8.279 0.194 1
1 298 . 14 1 1 A 29 29 GLU CA C 29 54.425 54.883 -0.458 1
1 299 . 14 1 1 A 29 29 GLU HA H 29 4.734 4.533 0.201 1
1 300 . 14 1 1 A 29 29 GLU CB C 29 33.430 30.649 2.781 1
1 306 . 14 1 1 A 29 29 GLU C C 29 175.244 177.713 -2.469 1
1 307 . 14 1 1 A 30 30 GLU N N 30 120.351 119.372 0.979 1
1 308 . 14 1 1 A 30 30 GLU H H 30 8.502 8.884 -0.382 1
1 309 . 14 1 1 A 30 30 GLU CA C 30 60.066 59.285 0.781 1
1 310 . 14 1 1 A 30 30 GLU HA H 30 3.898 4.060 -0.162 1
1 311 . 14 1 1 A 30 30 GLU CB C 30 30.038 29.016 1.022 1
1 317 . 14 1 1 A 30 30 GLU C C 30 177.211 177.141 0.070 1
1 318 . 14 1 1 A 31 31 VAL N N 31 119.224 119.093 0.131 1
1 319 . 14 1 1 A 31 31 VAL H H 31 8.363 7.797 0.566 1
1 320 . 14 1 1 A 31 31 VAL CA C 31 61.327 63.054 -1.727 1
1 321 . 14 1 1 A 31 31 VAL HA H 31 4.154 4.002 0.152 1
1 322 . 14 1 1 A 31 31 VAL CB C 31 30.937 32.322 -1.385 1
1 332 . 14 1 1 A 31 31 VAL C C 31 176.298 175.399 0.899 1
1 333 . 14 1 1 A 32 32 GLU N N 32 128.219 126.047 2.172 1
1 334 . 14 1 1 A 32 32 GLU H H 32 8.453 8.928 -0.475 1
1 335 . 14 1 1 A 32 32 GLU CA C 32 59.610 57.953 1.657 1
1 336 . 14 1 1 A 32 32 GLU HA H 32 3.729 3.850 -0.121 1
1 337 . 14 1 1 A 32 32 GLU CB C 32 29.649 29.664 -0.015 1
1 342 . 14 1 1 A 32 32 GLU C C 32 177.405 177.790 -0.385 1
1 343 . 14 1 1 A 33 33 SER N N 33 111.772 115.886 -4.114 1
1 344 . 14 1 1 A 33 33 SER H H 33 8.368 8.283 0.085 1
1 345 . 14 1 1 A 33 33 SER CA C 33 61.378 60.953 0.425 1
1 346 . 14 1 1 A 33 33 SER HA H 33 4.087 4.257 -0.170 1
1 347 . 14 1 1 A 33 33 SER CB C 33 61.842 62.766 -0.924 1
1 350 . 14 1 1 A 33 33 SER C C 33 177.086 176.386 0.700 1
1 351 . 14 1 1 A 34 34 ARG N N 34 121.109 120.839 0.270 1
1 352 . 14 1 1 A 34 34 ARG H H 34 7.445 7.885 -0.440 1
1 353 . 14 1 1 A 34 34 ARG CA C 34 58.682 59.862 -1.180 1
1 354 . 14 1 1 A 34 34 ARG HA H 34 4.067 3.927 0.140 1
1 355 . 14 1 1 A 34 34 ARG CB C 34 30.095 29.992 0.103 1
1 364 . 14 1 1 A 34 34 ARG C C 34 178.697 178.540 0.157 1
1 365 . 14 1 1 A 35 35 ARG N N 35 122.297 118.556 3.741 1
1 366 . 14 1 1 A 35 35 ARG H H 35 6.826 7.562 -0.736 1
1 367 . 14 1 1 A 35 35 ARG CA C 35 59.479 58.565 0.914 1
1 368 . 14 1 1 A 35 35 ARG HA H 35 3.718 3.758 -0.040 1
1 369 . 14 1 1 A 35 35 ARG CB C 35 30.578 29.163 1.415 1
1 380 . 14 1 1 A 35 35 ARG C C 35 178.318 178.652 -0.334 1
1 381 . 14 1 1 A 36 36 TRP N N 36 115.557 119.966 -4.409 1
1 382 . 14 1 1 A 36 36 TRP H H 36 7.702 6.933 0.769 1
1 383 . 14 1 1 A 36 36 TRP CA C 36 58.127 59.741 -1.614 1
1 384 . 14 1 1 A 36 36 TRP HA H 36 4.929 4.316 0.613 1
1 385 . 14 1 1 A 36 36 TRP CB C 36 30.618 29.430 1.188 1
1 400 . 14 1 1 A 36 36 TRP C C 36 178.742 179.100 -0.358 1
1 401 . 14 1 1 A 37 37 GLN N N 37 117.116 118.589 -1.473 1
1 402 . 14 1 1 A 37 37 GLN H H 37 7.923 8.015 -0.092 1
1 403 . 14 1 1 A 37 37 GLN CA C 37 58.501 59.295 -0.794 1
1 404 . 14 1 1 A 37 37 GLN HA H 37 3.950 3.835 0.115 1
1 405 . 14 1 1 A 37 37 GLN CB C 37 28.719 28.192 0.527 1
1 414 . 14 1 1 A 37 37 GLN C C 37 177.079 178.946 -1.867 1
1 415 . 14 1 1 A 38 38 LYS N N 38 119.256 118.858 0.398 1
1 416 . 14 1 1 A 38 38 LYS H H 38 7.543 7.592 -0.049 1
1 417 . 14 1 1 A 38 38 LYS CA C 38 59.855 58.986 0.869 1
1 418 . 14 1 1 A 38 38 LYS HA H 38 3.875 3.974 -0.099 1
1 419 . 14 1 1 A 38 38 LYS CB C 38 31.717 32.309 -0.592 1
1 431 . 14 1 1 A 38 38 LYS C C 38 179.773 178.620 1.153 1
1 432 . 14 1 1 A 39 39 ILE N N 39 117.818 120.767 -2.949 1
1 433 . 14 1 1 A 39 39 ILE H H 39 7.614 7.443 0.171 1
1 434 . 14 1 1 A 39 39 ILE CA C 39 66.296 65.709 0.587 1
1 435 . 14 1 1 A 39 39 ILE HA H 39 3.534 3.159 0.375 1
1 436 . 14 1 1 A 39 39 ILE CB C 39 38.526 38.221 0.305 1
1 449 . 14 1 1 A 39 39 ILE C C 39 177.376 177.881 -0.505 1
1 450 . 14 1 1 A 40 40 ALA N N 40 122.394 122.282 0.112 1
1 451 . 14 1 1 A 40 40 ALA H H 40 8.680 8.578 0.102 1
1 452 . 14 1 1 A 40 40 ALA CA C 40 56.117 55.726 0.391 1
1 453 . 14 1 1 A 40 40 ALA HA H 40 3.732 4.046 -0.314 1
1 454 . 14 1 1 A 40 40 ALA CB C 40 17.581 18.506 -0.925 1
1 458 . 14 1 1 A 40 40 ALA C C 40 180.101 178.799 1.302 1
1 459 . 14 1 1 A 41 41 ASP N N 41 117.487 118.602 -1.115 1
1 460 . 14 1 1 A 41 41 ASP H H 41 8.516 8.297 0.219 1
1 461 . 14 1 1 A 41 41 ASP CA C 41 57.069 57.840 -0.771 1
1 462 . 14 1 1 A 41 41 ASP HA H 41 4.425 4.300 0.125 1
1 463 . 14 1 1 A 41 41 ASP CB C 41 40.176 40.876 -0.700 1
1 466 . 14 1 1 A 41 41 ASP C C 41 178.731 178.584 0.147 1
1 467 . 14 1 1 A 42 42 GLU N N 42 118.631 117.796 0.835 1
1 468 . 14 1 1 A 42 42 GLU H H 42 7.391 8.100 -0.709 1
1 469 . 14 1 1 A 42 42 GLU CA C 42 59.678 59.309 0.369 1
1 470 . 14 1 1 A 42 42 GLU HA H 42 4.246 4.054 0.192 1
1 471 . 14 1 1 A 42 42 GLU CB C 42 29.612 29.443 0.169 1
1 477 . 14 1 1 A 42 42 GLU C C 42 178.559 179.211 -0.652 1
1 478 . 14 1 1 A 43 43 LEU N N 43 120.834 120.196 0.638 1
1 479 . 14 1 1 A 43 43 LEU H H 43 8.247 7.389 0.858 1
1 480 . 14 1 1 A 43 43 LEU CA C 43 57.274 57.250 0.024 1
1 481 . 14 1 1 A 43 43 LEU HA H 43 4.171 3.992 0.179 1
1 482 . 14 1 1 A 43 43 LEU CB C 43 42.237 42.539 -0.302 1
1 495 . 14 1 1 A 43 43 LEU C C 43 179.282 177.028 2.254 1
1 496 . 14 1 1 A 44 44 GLY N N 44 106.089 106.915 -0.826 1
1 497 . 14 1 1 A 44 44 GLY H H 44 8.218 8.159 0.059 1
1 498 . 14 1 1 A 44 44 GLY CA C 44 46.203 45.445 0.758 1
1 499 . 14 1 1 A 44 44 GLY HA2 H 44 3.738 4.003 -0.265 1
1 500 . 14 1 1 A 44 44 GLY HA3 H 44 4.181 4.005 0.176 1
1 501 . 14 1 1 A 44 44 GLY C C 44 174.363 174.760 -0.397 1
1 502 . 14 1 1 A 45 45 ASN N N 45 117.303 119.495 -2.192 1
1 503 . 14 1 1 A 45 45 ASN H H 45 8.060 8.059 0.001 1
1 504 . 14 1 1 A 45 45 ASN CA C 45 52.872 55.845 -2.973 1
1 505 . 14 1 1 A 45 45 ASN HA H 45 4.637 4.447 0.190 1
1 506 . 14 1 1 A 45 45 ASN CB C 45 38.017 38.981 -0.964 1
1 512 . 14 1 1 A 45 45 ASN C C 45 174.403 175.458 -1.055 1
1 513 . 14 1 1 A 46 46 ARG N N 46 115.501 118.437 -2.936 1
1 514 . 14 1 1 A 46 46 ARG H H 46 7.091 7.758 -0.667 1
1 515 . 14 1 1 A 46 46 ARG CA C 46 52.521 55.464 -2.943 1
1 516 . 14 1 1 A 46 46 ARG HA H 46 4.948 4.637 0.311 1
1 517 . 14 1 1 A 46 46 ARG CB C 46 35.298 31.827 3.471 1
1 528 . 14 1 1 A 46 46 ARG C C 46 175.373 175.731 -0.358 1
1 529 . 14 1 1 A 47 47 THR N N 47 110.043 111.855 -1.812 1
1 530 . 14 1 1 A 47 47 THR H H 47 8.411 8.450 -0.039 1
1 531 . 14 1 1 A 47 47 THR CA C 47 59.643 59.320 0.323 1
1 532 . 14 1 1 A 47 47 THR HA H 47 4.602 4.901 -0.299 1
1 533 . 14 1 1 A 47 47 THR CB C 47 71.307 72.553 -1.246 1
1 539 . 14 1 1 A 47 47 THR C C 47 175.891 175.283 0.608 1
1 540 . 14 1 1 A 48 48 ALA N N 48 123.448 125.401 -1.953 1
1 541 . 14 1 1 A 48 48 ALA H H 48 9.205 9.063 0.142 1
1 542 . 14 1 1 A 48 48 ALA CA C 48 55.820 55.866 -0.046 1
1 543 . 14 1 1 A 48 48 ALA HA H 48 3.869 4.123 -0.254 1
1 544 . 14 1 1 A 48 48 ALA CB C 48 17.997 18.582 -0.585 1
1 548 . 14 1 1 A 48 48 ALA C C 48 179.731 179.615 0.116 1
1 549 . 14 1 1 A 49 49 LYS N N 49 117.235 117.610 -0.375 1
1 550 . 14 1 1 A 49 49 LYS H H 49 8.127 8.274 -0.147 1
1 551 . 14 1 1 A 49 49 LYS CA C 49 59.436 59.559 -0.123 1
1 552 . 14 1 1 A 49 49 LYS HA H 49 4.008 3.896 0.112 1
1 553 . 14 1 1 A 49 49 LYS CB C 49 32.661 32.261 0.400 1
1 565 . 14 1 1 A 49 49 LYS C C 49 179.567 178.945 0.622 1
1 566 . 14 1 1 A 50 50 GLN N N 50 119.324 118.449 0.875 1
1 567 . 14 1 1 A 50 50 GLN H H 50 7.753 7.793 -0.040 1
1 568 . 14 1 1 A 50 50 GLN CA C 50 58.938 58.958 -0.020 1
1 569 . 14 1 1 A 50 50 GLN HA H 50 4.191 4.057 0.134 1
1 570 . 14 1 1 A 50 50 GLN CB C 50 29.389 28.365 1.024 1
1 579 . 14 1 1 A 50 50 GLN C C 50 180.097 178.550 1.547 1
1 580 . 14 1 1 A 51 51 VAL N N 51 120.881 121.406 -0.525 1
1 581 . 14 1 1 A 51 51 VAL H H 51 8.397 8.094 0.303 1
1 582 . 14 1 1 A 51 51 VAL CA C 51 67.510 66.257 1.253 1
1 583 . 14 1 1 A 51 51 VAL HA H 51 3.491 3.743 -0.252 1
1 584 . 14 1 1 A 51 51 VAL CB C 51 31.871 31.380 0.491 1
1 594 . 14 1 1 A 51 51 VAL C C 51 176.150 177.620 -1.470 1
1 595 . 14 1 1 A 52 52 ALA N N 52 120.695 122.031 -1.336 1
1 596 . 14 1 1 A 52 52 ALA H H 52 8.057 8.563 -0.506 1
1 597 . 14 1 1 A 52 52 ALA CA C 52 55.307 55.153 0.154 1
1 598 . 14 1 1 A 52 52 ALA HA H 52 2.379 2.993 -0.614 1
1 599 . 14 1 1 A 52 52 ALA CB C 52 17.410 18.292 -0.882 1
1 603 . 14 1 1 A 52 52 ALA C C 52 180.088 179.181 0.907 1
1 604 . 14 1 1 A 53 53 SER N N 53 110.953 112.816 -1.863 1
1 605 . 14 1 1 A 53 53 SER H H 53 7.653 7.818 -0.165 1
1 606 . 14 1 1 A 53 53 SER CA C 53 61.291 61.224 0.067 1
1 607 . 14 1 1 A 53 53 SER HA H 53 4.049 4.057 -0.008 1
1 608 . 14 1 1 A 53 53 SER CB C 53 63.032 62.867 0.165 1
1 610 . 14 1 1 A 53 53 SER C C 53 180.076 177.279 2.797 1
1 611 . 14 1 1 A 54 54 GLN N N 54 123.306 120.236 3.070 1
1 612 . 14 1 1 A 54 54 GLN H H 54 7.615 7.342 0.273 1
1 613 . 14 1 1 A 54 54 GLN CA C 54 57.843 58.193 -0.350 1
1 614 . 14 1 1 A 54 54 GLN HA H 54 3.844 3.686 0.158 1
1 615 . 14 1 1 A 54 54 GLN CB C 54 27.422 27.707 -0.285 1
1 624 . 14 1 1 A 55 55 VAL N N 55 119.150 119.400 -0.250 1
1 625 . 14 1 1 A 55 55 VAL H H 55 8.266 7.816 0.450 1
1 626 . 14 1 1 A 55 55 VAL CA C 55 66.491 66.410 0.081 1
1 627 . 14 1 1 A 55 55 VAL HA H 55 3.417 3.398 0.019 1
1 628 . 14 1 1 A 55 55 VAL CB C 55 31.306 30.944 0.362 1
1 638 . 14 1 1 A 55 55 VAL C C 55 177.640 177.790 -0.150 1
1 639 . 14 1 1 A 56 56 GLN N N 56 116.992 118.530 -1.538 1
1 640 . 14 1 1 A 56 56 GLN H H 56 7.578 7.706 -0.128 1
1 641 . 14 1 1 A 56 56 GLN CA C 56 58.616 59.188 -0.572 1
1 642 . 14 1 1 A 56 56 GLN HA H 56 3.964 3.965 -0.001 1
1 643 . 14 1 1 A 56 56 GLN CB C 56 28.115 28.060 0.055 1
1 652 . 14 1 1 A 56 56 GLN C C 56 177.976 178.029 -0.053 1
1 653 . 14 1 1 A 57 57 LYS N N 57 117.073 117.227 -0.154 1
1 654 . 14 1 1 A 57 57 LYS H H 57 7.378 7.826 -0.448 1
1 655 . 14 1 1 A 57 57 LYS CA C 57 58.958 56.863 2.095 1
1 656 . 14 1 1 A 57 57 LYS HA H 57 3.897 4.301 -0.404 1
1 657 . 14 1 1 A 57 57 LYS CB C 57 32.837 32.492 0.345 1
1 669 . 14 1 1 A 57 57 LYS C C 57 178.237 176.961 1.276 1
1 670 . 14 1 1 A 58 58 TYR N N 58 117.398 118.308 -0.910 1
1 671 . 14 1 1 A 58 58 TYR H H 58 7.722 8.015 -0.293 1
1 672 . 14 1 1 A 58 58 TYR CA C 58 59.231 59.058 0.173 1
1 673 . 14 1 1 A 58 58 TYR HA H 58 4.422 4.663 -0.241 1
1 674 . 14 1 1 A 58 58 TYR CB C 58 38.850 40.237 -1.387 1
1 685 . 14 1 1 A 58 58 TYR C C 58 176.329 176.434 -0.105 1
1 686 . 14 1 1 A 59 59 PHE N N 59 118.720 116.037 2.683 1
1 687 . 14 1 1 A 59 59 PHE H H 59 8.197 8.119 0.078 1
1 688 . 14 1 1 A 59 59 PHE CA C 59 59.396 58.980 0.416 1
1 689 . 14 1 1 A 59 59 PHE HA H 59 4.487 4.610 -0.123 1
1 690 . 14 1 1 A 59 59 PHE CB C 59 39.309 40.012 -0.703 1
1 703 . 14 1 1 A 59 59 PHE C C 59 177.355 177.126 0.229 1
1 704 . 14 1 1 A 60 60 ILE N N 60 120.989 119.913 1.076 1
1 705 . 14 1 1 A 60 60 ILE H H 60 7.940 7.949 -0.009 1
1 706 . 14 1 1 A 60 60 ILE CA C 60 63.239 64.932 -1.693 1
1 707 . 14 1 1 A 60 60 ILE HA H 60 3.937 3.752 0.185 1
1 708 . 14 1 1 A 60 60 ILE CB C 60 38.017 36.877 1.140 1
1 721 . 14 1 1 A 60 60 ILE C C 60 177.197 177.699 -0.502 1
1 722 . 14 1 1 A 61 61 LYS N N 61 122.558 121.221 1.337 1
1 723 . 14 1 1 A 61 61 LYS H H 61 8.056 7.813 0.243 1
1 724 . 14 1 1 A 61 61 LYS CA C 61 57.840 59.941 -2.101 1
1 725 . 14 1 1 A 61 61 LYS HA H 61 4.158 4.008 0.150 1
1 726 . 14 1 1 A 61 61 LYS CB C 61 32.480 31.976 0.504 1
1 738 . 14 1 1 A 61 61 LYS C C 61 177.737 178.543 -0.806 1
1 739 . 14 1 1 A 62 62 LEU N N 62 120.763 119.577 1.186 1
1 740 . 14 1 1 A 62 62 LEU H H 62 8.145 8.118 0.027 1
1 741 . 14 1 1 A 62 62 LEU CA C 62 55.989 57.784 -1.795 1
1 742 . 14 1 1 A 62 62 LEU HA H 62 4.302 3.974 0.328 1
1 743 . 14 1 1 A 62 62 LEU CB C 62 42.379 41.721 0.658 1
1 756 . 14 1 1 A 62 62 LEU C C 62 178.178 179.142 -0.964 1
1 757 . 14 1 1 A 63 63 THR N N 63 113.377 115.422 -2.045 1
1 758 . 14 1 1 A 63 63 THR H H 63 8.043 7.470 0.573 1
1 759 . 14 1 1 A 63 63 THR CA C 63 63.007 67.340 -4.333 1
1 760 . 14 1 1 A 63 63 THR HA H 63 4.285 3.813 0.472 1
1 761 . 14 1 1 A 63 63 THR CB C 63 70.153 68.534 1.619 1
1 767 . 14 1 1 A 63 63 THR C C 63 175.775 174.721 1.054 1
1 768 . 14 1 1 A 64 64 LYS N N 64 122.961 121.332 1.629 1
1 769 . 14 1 1 A 64 64 LYS H H 64 8.333 8.067 0.266 1
1 770 . 14 1 1 A 64 64 LYS CA C 64 57.298 57.174 0.124 1
1 771 . 14 1 1 A 64 64 LYS HA H 64 4.218 3.947 0.271 1
1 772 . 14 1 1 A 64 64 LYS CB C 64 32.578 31.056 1.522 1
1 784 . 14 1 1 A 64 64 LYS C C 64 176.684 175.176 1.508 1
1 785 . 14 1 1 A 65 65 ALA N N 65 123.107 120.941 2.166 1
1 786 . 14 1 1 A 65 65 ALA H H 65 8.024 7.762 0.262 1
1 787 . 14 1 1 A 65 65 ALA CA C 65 52.597 50.575 2.022 1
1 788 . 14 1 1 A 65 65 ALA HA H 65 4.323 4.668 -0.345 1
1 789 . 14 1 1 A 65 65 ALA CB C 65 19.229 20.937 -1.708 1
1 793 . 14 1 1 A 65 65 ALA C C 65 178.017 178.515 -0.498 1
1 794 . 14 1 1 A 66 66 GLY N N 66 107.464 106.004 1.460 1
1 795 . 14 1 1 A 66 66 GLY H H 66 8.165 8.754 -0.589 1
1 796 . 14 1 1 A 66 66 GLY CA C 66 45.223 47.206 -1.983 1
1 797 . 14 1 1 A 66 66 GLY HA2 H 66 3.955 3.841 0.114 1
1 798 . 14 1 1 A 66 66 GLY HA3 H 66 3.888 3.842 0.046 1
1 799 . 14 1 1 A 66 66 GLY C C 66 173.809 175.382 -1.573 1
1 800 . 14 1 1 A 67 67 ILE N N 67 121.784 121.988 -0.204 1
1 801 . 14 1 1 A 67 67 ILE H H 67 7.825 7.543 0.282 1
1 802 . 14 1 1 A 67 67 ILE CA C 67 58.397 60.395 -1.998 1
1 803 . 14 1 1 A 67 67 ILE HA H 67 4.457 4.129 0.328 1
1 804 . 14 1 1 A 67 67 ILE CB C 67 38.622 37.896 0.726 1
1 817 . 14 1 1 A 67 67 ILE C C 67 174.638 174.166 0.472 1
1 818 . 14 1 1 A 68 68 PRO CA C 68 63.157 62.323 0.834 1
1 819 . 14 1 1 A 68 68 PRO HA H 68 4.499 4.636 -0.137 1
1 820 . 14 1 1 A 68 68 PRO CB C 68 31.946 32.781 -0.835 1
1 829 . 14 1 1 A 68 68 PRO C C 68 176.866 175.560 1.306 1
1 830 . 14 1 1 A 69 69 VAL N N 69 120.953 120.795 0.158 1
1 831 . 14 1 1 A 69 69 VAL H H 69 8.269 8.383 -0.114 1
1 832 . 14 1 1 A 69 69 VAL CA C 69 62.460 60.241 2.219 1
1 833 . 14 1 1 A 69 69 VAL HA H 69 4.112 4.755 -0.643 1
1 834 . 14 1 1 A 69 69 VAL CB C 69 32.882 34.381 -1.499 1
1 844 . 14 1 1 A 69 69 VAL C C 69 176.217 174.006 2.211 1
1 845 . 14 1 1 A 70 70 SER N N 70 118.672 125.741 -7.069 1
1 846 . 14 1 1 A 70 70 SER H H 70 8.321 8.938 -0.617 1
1 847 . 14 1 1 A 70 70 SER CA C 70 58.127 57.561 0.566 1
1 848 . 14 1 1 A 70 70 SER HA H 70 4.536 5.261 -0.725 1
1 849 . 14 1 1 A 70 70 SER CB C 70 64.051 65.079 -1.028 1
1 852 . 14 1 1 A 70 70 SER C C 70 174.419 173.855 0.564 1
1 853 . 14 1 1 A 72 72 PRO CA C 72 63.221 65.169 -1.948 1
1 854 . 14 1 1 A 72 72 PRO HA H 72 4.480 4.310 0.170 1
1 855 . 14 1 1 A 72 72 PRO CB C 72 32.287 32.041 0.246 1
1 864 . 14 1 1 A 73 73 SER N N 73 116.355 112.503 3.852 1
1 865 . 14 1 1 A 73 73 SER H H 73 8.521 8.401 0.120 1
1 866 . 14 1 1 A 73 73 SER CA C 73 58.407 61.636 -3.229 1
1 867 . 14 1 1 A 73 73 SER HA H 73 4.580 4.122 0.458 1
1 868 . 14 1 1 A 73 73 SER CB C 73 63.942 63.101 0.841 1
1 1 . 15 1 1 A 9 9 GLN CA C 9 56.082 55.616 0.466 1
1 2 . 15 1 1 A 9 9 GLN HA H 9 4.326 4.434 -0.108 1
1 3 . 15 1 1 A 9 9 GLN CB C 9 29.035 27.645 1.390 1
1 9 . 15 1 1 A 9 9 GLN C C 9 176.519 175.243 1.276 1
1 10 . 15 1 1 A 10 10 LEU N N 10 124.239 125.731 -1.492 1
1 11 . 15 1 1 A 10 10 LEU H H 10 8.287 8.297 -0.010 1
1 12 . 15 1 1 A 10 10 LEU CA C 10 55.553 53.932 1.621 1
1 13 . 15 1 1 A 10 10 LEU HA H 10 4.390 4.992 -0.602 1
1 14 . 15 1 1 A 10 10 LEU CB C 10 42.168 43.053 -0.885 1
1 27 . 15 1 1 A 10 10 LEU C C 10 177.357 176.807 0.550 1
1 28 . 15 1 1 A 11 11 TRP N N 11 124.940 121.644 3.296 1
1 29 . 15 1 1 A 11 11 TRP H H 11 8.879 8.869 0.010 1
1 30 . 15 1 1 A 11 11 TRP CA C 11 56.849 56.974 -0.125 1
1 31 . 15 1 1 A 11 11 TRP HA H 11 4.668 4.902 -0.234 1
1 32 . 15 1 1 A 11 11 TRP CB C 11 28.603 30.415 -1.812 1
1 47 . 15 1 1 A 11 11 TRP C C 11 177.416 176.344 1.072 1
1 48 . 15 1 1 A 12 12 THR N N 12 115.857 116.264 -0.407 1
1 49 . 15 1 1 A 12 12 THR H H 12 8.760 8.543 0.217 1
1 50 . 15 1 1 A 12 12 THR CA C 12 60.885 59.875 1.010 1
1 51 . 15 1 1 A 12 12 THR HA H 12 4.509 4.688 -0.179 1
1 52 . 15 1 1 A 12 12 THR CB C 12 71.142 70.041 1.101 1
1 58 . 15 1 1 A 12 12 THR C C 12 175.828 175.719 0.109 1
1 59 . 15 1 1 A 13 13 VAL N N 13 121.033 127.289 -6.256 1
1 60 . 15 1 1 A 13 13 VAL H H 13 8.782 8.833 -0.051 1
1 61 . 15 1 1 A 13 13 VAL CA C 13 66.558 66.730 -0.172 1
1 62 . 15 1 1 A 13 13 VAL HA H 13 3.784 3.722 0.062 1
1 63 . 15 1 1 A 13 13 VAL CB C 13 31.659 31.957 -0.298 1
1 73 . 15 1 1 A 13 13 VAL C C 13 178.595 177.584 1.011 1
1 74 . 15 1 1 A 14 14 GLU N N 14 119.290 119.759 -0.469 1
1 75 . 15 1 1 A 14 14 GLU H H 14 8.586 8.487 0.099 1
1 76 . 15 1 1 A 14 14 GLU CA C 14 60.285 59.309 0.976 1
1 77 . 15 1 1 A 14 14 GLU HA H 14 4.024 4.153 -0.129 1
1 78 . 15 1 1 A 14 14 GLU CB C 14 29.039 29.421 -0.382 1
1 84 . 15 1 1 A 14 14 GLU C C 14 179.736 178.511 1.225 1
1 85 . 15 1 1 A 15 15 GLU N N 15 121.533 119.994 1.539 1
1 86 . 15 1 1 A 15 15 GLU H H 15 7.934 8.296 -0.362 1
1 87 . 15 1 1 A 15 15 GLU CA C 15 59.834 59.187 0.647 1
1 88 . 15 1 1 A 15 15 GLU HA H 15 3.990 4.189 -0.199 1
1 89 . 15 1 1 A 15 15 GLU CB C 15 31.315 29.583 1.732 1
1 95 . 15 1 1 A 15 15 GLU C C 15 178.886 179.519 -0.633 1
1 96 . 15 1 1 A 16 16 GLN N N 16 119.475 119.175 0.300 1
1 97 . 15 1 1 A 16 16 GLN H H 16 8.595 8.779 -0.184 1
1 98 . 15 1 1 A 16 16 GLN CA C 16 59.369 59.677 -0.308 1
1 99 . 15 1 1 A 16 16 GLN HA H 16 4.104 4.242 -0.138 1
1 100 . 15 1 1 A 16 16 GLN CB C 16 28.376 28.394 -0.018 1
1 109 . 15 1 1 A 16 16 GLN C C 16 178.548 178.656 -0.108 1
1 110 . 15 1 1 A 17 17 LYS N N 17 119.404 118.772 0.632 1
1 111 . 15 1 1 A 17 17 LYS H H 17 8.241 8.067 0.174 1
1 112 . 15 1 1 A 17 17 LYS CA C 17 59.175 59.273 -0.098 1
1 113 . 15 1 1 A 17 17 LYS HA H 17 4.103 4.156 -0.053 1
1 114 . 15 1 1 A 17 17 LYS CB C 17 31.980 32.428 -0.448 1
1 126 . 15 1 1 A 17 17 LYS C C 17 179.663 178.967 0.696 1
1 127 . 15 1 1 A 18 18 LYS N N 18 120.546 119.680 0.866 1
1 128 . 15 1 1 A 18 18 LYS H H 18 7.852 8.033 -0.181 1
1 129 . 15 1 1 A 18 18 LYS CA C 18 59.432 59.875 -0.443 1
1 130 . 15 1 1 A 18 18 LYS HA H 18 4.157 4.071 0.086 1
1 131 . 15 1 1 A 18 18 LYS CB C 18 32.166 32.304 -0.138 1
1 143 . 15 1 1 A 18 18 LYS C C 18 179.003 178.750 0.253 1
1 144 . 15 1 1 A 19 19 LEU N N 19 120.782 121.054 -0.272 1
1 145 . 15 1 1 A 19 19 LEU H H 19 8.639 8.739 -0.100 1
1 146 . 15 1 1 A 19 19 LEU CA C 19 58.729 58.205 0.524 1
1 147 . 15 1 1 A 19 19 LEU HA H 19 4.042 4.151 -0.109 1
1 148 . 15 1 1 A 19 19 LEU CB C 19 41.465 42.086 -0.621 1
1 161 . 15 1 1 A 19 19 LEU C C 19 177.410 178.936 -1.526 1
1 162 . 15 1 1 A 20 20 GLU N N 20 116.982 118.048 -1.066 1
1 163 . 15 1 1 A 20 20 GLU H H 20 7.981 8.129 -0.148 1
1 164 . 15 1 1 A 20 20 GLU CA C 20 60.285 59.959 0.326 1
1 165 . 15 1 1 A 20 20 GLU HA H 20 3.647 4.115 -0.468 1
1 166 . 15 1 1 A 20 20 GLU CB C 20 29.612 29.427 0.185 1
1 172 . 15 1 1 A 20 20 GLU C C 20 179.066 179.290 -0.224 1
1 173 . 15 1 1 A 21 21 GLN N N 21 115.877 119.062 -3.185 1
1 174 . 15 1 1 A 21 21 GLN H H 21 7.518 7.888 -0.370 1
1 175 . 15 1 1 A 21 21 GLN CA C 21 58.409 58.961 -0.552 1
1 176 . 15 1 1 A 21 21 GLN HA H 21 4.112 4.111 0.001 1
1 177 . 15 1 1 A 21 21 GLN CB C 21 28.405 28.479 -0.074 1
1 186 . 15 1 1 A 21 21 GLN C C 21 180.271 178.647 1.624 1
1 187 . 15 1 1 A 22 22 LEU N N 22 123.461 121.004 2.457 1
1 188 . 15 1 1 A 22 22 LEU H H 22 8.775 8.275 0.500 1
1 189 . 15 1 1 A 22 22 LEU CA C 22 57.782 58.149 -0.367 1
1 190 . 15 1 1 A 22 22 LEU HA H 22 4.243 4.043 0.200 1
1 191 . 15 1 1 A 22 22 LEU CB C 22 42.687 41.899 0.788 1
1 204 . 15 1 1 A 22 22 LEU C C 22 178.112 179.015 -0.903 1
1 205 . 15 1 1 A 23 23 LEU N N 23 119.576 117.928 1.648 1
1 206 . 15 1 1 A 23 23 LEU H H 23 8.260 8.457 -0.197 1
1 207 . 15 1 1 A 23 23 LEU CA C 23 57.281 58.415 -1.134 1
1 208 . 15 1 1 A 23 23 LEU HA H 23 4.174 4.092 0.082 1
1 209 . 15 1 1 A 23 23 LEU CB C 23 42.175 41.832 0.343 1
1 222 . 15 1 1 A 23 23 LEU C C 23 177.927 179.059 -1.132 1
1 223 . 15 1 1 A 24 24 ILE N N 24 116.614 119.309 -2.695 1
1 224 . 15 1 1 A 24 24 ILE H H 24 6.949 8.006 -1.057 1
1 225 . 15 1 1 A 24 24 ILE CA C 24 62.755 64.162 -1.407 1
1 226 . 15 1 1 A 24 24 ILE HA H 24 3.787 3.908 -0.121 1
1 227 . 15 1 1 A 24 24 ILE CB C 24 38.208 37.250 0.958 1
1 240 . 15 1 1 A 24 24 ILE C C 24 177.066 177.807 -0.741 1
1 241 . 15 1 1 A 25 25 LYS N N 25 121.060 122.597 -1.537 1
1 242 . 15 1 1 A 25 25 LYS H H 25 7.421 8.277 -0.856 1
1 243 . 15 1 1 A 25 25 LYS CA C 25 59.281 59.356 -0.075 1
1 244 . 15 1 1 A 25 25 LYS HA H 25 3.726 4.021 -0.295 1
1 245 . 15 1 1 A 25 25 LYS CB C 25 34.011 32.232 1.779 1
1 257 . 15 1 1 A 25 25 LYS C C 25 175.900 176.102 -0.202 1
1 258 . 15 1 1 A 26 26 TYR N N 26 117.015 117.285 -0.270 1
1 259 . 15 1 1 A 26 26 TYR H H 26 8.124 8.401 -0.277 1
1 260 . 15 1 1 A 26 26 TYR CA C 26 54.995 56.575 -1.580 1
1 261 . 15 1 1 A 26 26 TYR HA H 26 4.988 4.730 0.258 1
1 262 . 15 1 1 A 26 26 TYR CB C 26 37.055 38.849 -1.794 1
1 273 . 15 1 1 A 27 27 PRO CA C 27 62.102 61.650 0.452 1
1 274 . 15 1 1 A 27 27 PRO HA H 27 4.833 4.681 0.152 1
1 275 . 15 1 1 A 27 27 PRO CB C 27 30.960 31.642 -0.682 1
1 284 . 15 1 1 A 28 28 PRO CA C 28 64.218 62.576 1.642 1
1 285 . 15 1 1 A 28 28 PRO HA H 28 4.127 4.570 -0.443 1
1 286 . 15 1 1 A 28 28 PRO CB C 28 31.726 32.932 -1.206 1
1 295 . 15 1 1 A 28 28 PRO C C 28 175.552 175.971 -0.419 1
1 296 . 15 1 1 A 29 29 GLU N N 29 120.378 117.482 2.896 1
1 297 . 15 1 1 A 29 29 GLU H H 29 8.473 8.380 0.093 1
1 298 . 15 1 1 A 29 29 GLU CA C 29 54.425 55.182 -0.757 1
1 299 . 15 1 1 A 29 29 GLU HA H 29 4.734 4.808 -0.074 1
1 300 . 15 1 1 A 29 29 GLU CB C 29 33.430 31.332 2.098 1
1 306 . 15 1 1 A 29 29 GLU C C 29 175.244 176.459 -1.215 1
1 307 . 15 1 1 A 30 30 GLU N N 30 120.351 118.345 2.006 1
1 308 . 15 1 1 A 30 30 GLU H H 30 8.502 9.011 -0.509 1
1 309 . 15 1 1 A 30 30 GLU CA C 30 60.066 58.260 1.806 1
1 310 . 15 1 1 A 30 30 GLU HA H 30 3.898 4.140 -0.242 1
1 311 . 15 1 1 A 30 30 GLU CB C 30 30.038 29.994 0.044 1
1 317 . 15 1 1 A 30 30 GLU C C 30 177.211 176.690 0.521 1
1 318 . 15 1 1 A 31 31 VAL N N 31 119.224 120.128 -0.904 1
1 319 . 15 1 1 A 31 31 VAL H H 31 8.363 8.078 0.285 1
1 320 . 15 1 1 A 31 31 VAL CA C 31 61.327 61.575 -0.248 1
1 321 . 15 1 1 A 31 31 VAL HA H 31 4.154 4.155 -0.001 1
1 322 . 15 1 1 A 31 31 VAL CB C 31 30.937 31.368 -0.431 1
1 332 . 15 1 1 A 31 31 VAL C C 31 176.298 176.142 0.156 1
1 333 . 15 1 1 A 32 32 GLU N N 32 128.219 129.775 -1.556 1
1 334 . 15 1 1 A 32 32 GLU H H 32 8.453 8.468 -0.015 1
1 335 . 15 1 1 A 32 32 GLU CA C 32 59.610 59.229 0.381 1
1 336 . 15 1 1 A 32 32 GLU HA H 32 3.729 3.565 0.164 1
1 337 . 15 1 1 A 32 32 GLU CB C 32 29.649 29.406 0.243 1
1 342 . 15 1 1 A 32 32 GLU C C 32 177.405 177.665 -0.260 1
1 343 . 15 1 1 A 33 33 SER N N 33 111.772 117.623 -5.851 1
1 344 . 15 1 1 A 33 33 SER H H 33 8.368 8.049 0.319 1
1 345 . 15 1 1 A 33 33 SER CA C 33 61.378 61.916 -0.538 1
1 346 . 15 1 1 A 33 33 SER HA H 33 4.087 4.200 -0.113 1
1 347 . 15 1 1 A 33 33 SER CB C 33 61.842 62.846 -1.004 1
1 350 . 15 1 1 A 33 33 SER C C 33 177.086 176.169 0.917 1
1 351 . 15 1 1 A 34 34 ARG N N 34 121.109 119.577 1.532 1
1 352 . 15 1 1 A 34 34 ARG H H 34 7.445 8.010 -0.565 1
1 353 . 15 1 1 A 34 34 ARG CA C 34 58.682 58.837 -0.155 1
1 354 . 15 1 1 A 34 34 ARG HA H 34 4.067 4.043 0.024 1
1 355 . 15 1 1 A 34 34 ARG CB C 34 30.095 29.819 0.276 1
1 364 . 15 1 1 A 34 34 ARG C C 34 178.697 178.242 0.455 1
1 365 . 15 1 1 A 35 35 ARG N N 35 122.297 119.050 3.247 1
1 366 . 15 1 1 A 35 35 ARG H H 35 6.826 7.384 -0.558 1
1 367 . 15 1 1 A 35 35 ARG CA C 35 59.479 58.880 0.599 1
1 368 . 15 1 1 A 35 35 ARG HA H 35 3.718 3.816 -0.098 1
1 369 . 15 1 1 A 35 35 ARG CB C 35 30.578 29.480 1.098 1
1 380 . 15 1 1 A 35 35 ARG C C 35 178.318 178.923 -0.605 1
1 381 . 15 1 1 A 36 36 TRP N N 36 115.557 120.140 -4.583 1
1 382 . 15 1 1 A 36 36 TRP H H 36 7.702 7.240 0.462 1
1 383 . 15 1 1 A 36 36 TRP CA C 36 58.127 59.937 -1.810 1
1 384 . 15 1 1 A 36 36 TRP HA H 36 4.929 4.414 0.515 1
1 385 . 15 1 1 A 36 36 TRP CB C 36 30.618 29.149 1.469 1
1 400 . 15 1 1 A 36 36 TRP C C 36 178.742 178.893 -0.151 1
1 401 . 15 1 1 A 37 37 GLN N N 37 117.116 118.702 -1.586 1
1 402 . 15 1 1 A 37 37 GLN H H 37 7.923 7.840 0.083 1
1 403 . 15 1 1 A 37 37 GLN CA C 37 58.501 59.347 -0.846 1
1 404 . 15 1 1 A 37 37 GLN HA H 37 3.950 3.809 0.141 1
1 405 . 15 1 1 A 37 37 GLN CB C 37 28.719 28.571 0.148 1
1 414 . 15 1 1 A 37 37 GLN C C 37 177.079 178.931 -1.852 1
1 415 . 15 1 1 A 38 38 LYS N N 38 119.256 118.844 0.412 1
1 416 . 15 1 1 A 38 38 LYS H H 38 7.543 7.433 0.110 1
1 417 . 15 1 1 A 38 38 LYS CA C 38 59.855 58.876 0.979 1
1 418 . 15 1 1 A 38 38 LYS HA H 38 3.875 3.913 -0.038 1
1 419 . 15 1 1 A 38 38 LYS CB C 38 31.717 32.365 -0.648 1
1 431 . 15 1 1 A 38 38 LYS C C 38 179.773 178.636 1.137 1
1 432 . 15 1 1 A 39 39 ILE N N 39 117.818 120.049 -2.231 1
1 433 . 15 1 1 A 39 39 ILE H H 39 7.614 7.433 0.181 1
1 434 . 15 1 1 A 39 39 ILE CA C 39 66.296 65.612 0.684 1
1 435 . 15 1 1 A 39 39 ILE HA H 39 3.534 3.326 0.208 1
1 436 . 15 1 1 A 39 39 ILE CB C 39 38.526 38.378 0.148 1
1 449 . 15 1 1 A 39 39 ILE C C 39 177.376 177.944 -0.568 1
1 450 . 15 1 1 A 40 40 ALA N N 40 122.394 122.512 -0.118 1
1 451 . 15 1 1 A 40 40 ALA H H 40 8.680 8.690 -0.010 1
1 452 . 15 1 1 A 40 40 ALA CA C 40 56.117 55.817 0.300 1
1 453 . 15 1 1 A 40 40 ALA HA H 40 3.732 3.987 -0.255 1
1 454 . 15 1 1 A 40 40 ALA CB C 40 17.581 18.452 -0.871 1
1 458 . 15 1 1 A 40 40 ALA C C 40 180.101 178.735 1.366 1
1 459 . 15 1 1 A 41 41 ASP N N 41 117.487 118.555 -1.068 1
1 460 . 15 1 1 A 41 41 ASP H H 41 8.516 8.576 -0.060 1
1 461 . 15 1 1 A 41 41 ASP CA C 41 57.069 57.818 -0.749 1
1 462 . 15 1 1 A 41 41 ASP HA H 41 4.425 4.312 0.113 1
1 463 . 15 1 1 A 41 41 ASP CB C 41 40.176 40.928 -0.752 1
1 466 . 15 1 1 A 41 41 ASP C C 41 178.731 178.613 0.118 1
1 467 . 15 1 1 A 42 42 GLU N N 42 118.631 118.359 0.272 1
1 468 . 15 1 1 A 42 42 GLU H H 42 7.391 8.186 -0.795 1
1 469 . 15 1 1 A 42 42 GLU CA C 42 59.678 59.372 0.306 1
1 470 . 15 1 1 A 42 42 GLU HA H 42 4.246 4.104 0.142 1
1 471 . 15 1 1 A 42 42 GLU CB C 42 29.612 29.523 0.089 1
1 477 . 15 1 1 A 42 42 GLU C C 42 178.559 179.278 -0.719 1
1 478 . 15 1 1 A 43 43 LEU N N 43 120.834 119.478 1.356 1
1 479 . 15 1 1 A 43 43 LEU H H 43 8.247 7.446 0.801 1
1 480 . 15 1 1 A 43 43 LEU CA C 43 57.274 56.730 0.544 1
1 481 . 15 1 1 A 43 43 LEU HA H 43 4.171 4.008 0.163 1
1 482 . 15 1 1 A 43 43 LEU CB C 43 42.237 42.537 -0.300 1
1 495 . 15 1 1 A 43 43 LEU C C 43 179.282 177.169 2.113 1
1 496 . 15 1 1 A 44 44 GLY N N 44 106.089 107.697 -1.608 1
1 497 . 15 1 1 A 44 44 GLY H H 44 8.218 8.075 0.143 1
1 498 . 15 1 1 A 44 44 GLY CA C 44 46.203 45.500 0.703 1
1 499 . 15 1 1 A 44 44 GLY HA2 H 44 3.738 3.976 -0.238 1
1 500 . 15 1 1 A 44 44 GLY HA3 H 44 4.181 3.977 0.204 1
1 501 . 15 1 1 A 44 44 GLY C C 44 174.363 174.712 -0.349 1
1 502 . 15 1 1 A 45 45 ASN N N 45 117.303 119.493 -2.190 1
1 503 . 15 1 1 A 45 45 ASN H H 45 8.060 7.963 0.097 1
1 504 . 15 1 1 A 45 45 ASN CA C 45 52.872 55.307 -2.435 1
1 505 . 15 1 1 A 45 45 ASN HA H 45 4.637 4.524 0.113 1
1 506 . 15 1 1 A 45 45 ASN CB C 45 38.017 38.938 -0.921 1
1 512 . 15 1 1 A 45 45 ASN C C 45 174.403 175.165 -0.762 1
1 513 . 15 1 1 A 46 46 ARG N N 46 115.501 118.467 -2.966 1
1 514 . 15 1 1 A 46 46 ARG H H 46 7.091 7.745 -0.654 1
1 515 . 15 1 1 A 46 46 ARG CA C 46 52.521 55.027 -2.506 1
1 516 . 15 1 1 A 46 46 ARG HA H 46 4.948 4.580 0.368 1
1 517 . 15 1 1 A 46 46 ARG CB C 46 35.298 31.877 3.421 1
1 528 . 15 1 1 A 46 46 ARG C C 46 175.373 175.325 0.048 1
1 529 . 15 1 1 A 47 47 THR N N 47 110.043 111.207 -1.164 1
1 530 . 15 1 1 A 47 47 THR H H 47 8.411 8.447 -0.036 1
1 531 . 15 1 1 A 47 47 THR CA C 47 59.643 59.288 0.355 1
1 532 . 15 1 1 A 47 47 THR HA H 47 4.602 4.921 -0.319 1
1 533 . 15 1 1 A 47 47 THR CB C 47 71.307 72.548 -1.241 1
1 539 . 15 1 1 A 47 47 THR C C 47 175.891 175.375 0.516 1
1 540 . 15 1 1 A 48 48 ALA N N 48 123.448 125.322 -1.874 1
1 541 . 15 1 1 A 48 48 ALA H H 48 9.205 9.055 0.150 1
1 542 . 15 1 1 A 48 48 ALA CA C 48 55.820 55.486 0.334 1
1 543 . 15 1 1 A 48 48 ALA HA H 48 3.869 4.078 -0.209 1
1 544 . 15 1 1 A 48 48 ALA CB C 48 17.997 18.303 -0.306 1
1 548 . 15 1 1 A 48 48 ALA C C 48 179.731 179.782 -0.051 1
1 549 . 15 1 1 A 49 49 LYS N N 49 117.235 117.443 -0.208 1
1 550 . 15 1 1 A 49 49 LYS H H 49 8.127 7.893 0.234 1
1 551 . 15 1 1 A 49 49 LYS CA C 49 59.436 59.343 0.093 1
1 552 . 15 1 1 A 49 49 LYS HA H 49 4.008 3.970 0.038 1
1 553 . 15 1 1 A 49 49 LYS CB C 49 32.661 32.484 0.177 1
1 565 . 15 1 1 A 49 49 LYS C C 49 179.567 179.335 0.232 1
1 566 . 15 1 1 A 50 50 GLN N N 50 119.324 118.767 0.557 1
1 567 . 15 1 1 A 50 50 GLN H H 50 7.753 7.825 -0.072 1
1 568 . 15 1 1 A 50 50 GLN CA C 50 58.938 59.243 -0.305 1
1 569 . 15 1 1 A 50 50 GLN HA H 50 4.191 4.024 0.167 1
1 570 . 15 1 1 A 50 50 GLN CB C 50 29.389 28.373 1.016 1
1 579 . 15 1 1 A 50 50 GLN C C 50 180.097 178.375 1.722 1
1 580 . 15 1 1 A 51 51 VAL N N 51 120.881 120.272 0.609 1
1 581 . 15 1 1 A 51 51 VAL H H 51 8.397 8.081 0.316 1
1 582 . 15 1 1 A 51 51 VAL CA C 51 67.510 66.278 1.232 1
1 583 . 15 1 1 A 51 51 VAL HA H 51 3.491 3.661 -0.170 1
1 584 . 15 1 1 A 51 51 VAL CB C 51 31.871 31.490 0.381 1
1 594 . 15 1 1 A 51 51 VAL C C 51 176.150 177.643 -1.493 1
1 595 . 15 1 1 A 52 52 ALA N N 52 120.695 122.206 -1.511 1
1 596 . 15 1 1 A 52 52 ALA H H 52 8.057 8.270 -0.213 1
1 597 . 15 1 1 A 52 52 ALA CA C 52 55.307 55.092 0.215 1
1 598 . 15 1 1 A 52 52 ALA HA H 52 2.379 2.916 -0.537 1
1 599 . 15 1 1 A 52 52 ALA CB C 52 17.410 18.254 -0.844 1
1 603 . 15 1 1 A 52 52 ALA C C 52 180.088 179.627 0.461 1
1 604 . 15 1 1 A 53 53 SER N N 53 110.953 113.153 -2.200 1
1 605 . 15 1 1 A 53 53 SER H H 53 7.653 7.643 0.010 1
1 606 . 15 1 1 A 53 53 SER CA C 53 61.291 61.228 0.063 1
1 607 . 15 1 1 A 53 53 SER HA H 53 4.049 4.142 -0.093 1
1 608 . 15 1 1 A 53 53 SER CB C 53 63.032 63.063 -0.031 1
1 610 . 15 1 1 A 53 53 SER C C 53 180.076 175.992 4.084 1
1 611 . 15 1 1 A 54 54 GLN N N 54 123.306 121.279 2.027 1
1 612 . 15 1 1 A 54 54 GLN H H 54 7.615 7.566 0.049 1
1 613 . 15 1 1 A 54 54 GLN CA C 54 57.843 58.340 -0.497 1
1 614 . 15 1 1 A 54 54 GLN HA H 54 3.844 3.746 0.098 1
1 615 . 15 1 1 A 54 54 GLN CB C 54 27.422 27.893 -0.471 1
1 624 . 15 1 1 A 55 55 VAL N N 55 119.150 120.070 -0.920 1
1 625 . 15 1 1 A 55 55 VAL H H 55 8.266 7.828 0.438 1
1 626 . 15 1 1 A 55 55 VAL CA C 55 66.491 66.129 0.362 1
1 627 . 15 1 1 A 55 55 VAL HA H 55 3.417 3.318 0.099 1
1 628 . 15 1 1 A 55 55 VAL CB C 55 31.306 31.383 -0.077 1
1 638 . 15 1 1 A 55 55 VAL C C 55 177.640 177.862 -0.222 1
1 639 . 15 1 1 A 56 56 GLN N N 56 116.992 119.397 -2.405 1
1 640 . 15 1 1 A 56 56 GLN H H 56 7.578 8.030 -0.452 1
1 641 . 15 1 1 A 56 56 GLN CA C 56 58.616 58.145 0.471 1
1 642 . 15 1 1 A 56 56 GLN HA H 56 3.964 4.058 -0.094 1
1 643 . 15 1 1 A 56 56 GLN CB C 56 28.115 28.401 -0.286 1
1 652 . 15 1 1 A 56 56 GLN C C 56 177.976 176.988 0.988 1
1 653 . 15 1 1 A 57 57 LYS N N 57 117.073 117.726 -0.653 1
1 654 . 15 1 1 A 57 57 LYS H H 57 7.378 7.931 -0.553 1
1 655 . 15 1 1 A 57 57 LYS CA C 57 58.958 57.105 1.853 1
1 656 . 15 1 1 A 57 57 LYS HA H 57 3.897 4.293 -0.396 1
1 657 . 15 1 1 A 57 57 LYS CB C 57 32.837 32.531 0.306 1
1 669 . 15 1 1 A 57 57 LYS C C 57 178.237 177.003 1.234 1
1 670 . 15 1 1 A 58 58 TYR N N 58 117.398 117.757 -0.359 1
1 671 . 15 1 1 A 58 58 TYR H H 58 7.722 8.366 -0.644 1
1 672 . 15 1 1 A 58 58 TYR CA C 58 59.231 59.020 0.211 1
1 673 . 15 1 1 A 58 58 TYR HA H 58 4.422 4.632 -0.210 1
1 674 . 15 1 1 A 58 58 TYR CB C 58 38.850 40.647 -1.797 1
1 685 . 15 1 1 A 58 58 TYR C C 58 176.329 176.455 -0.126 1
1 686 . 15 1 1 A 59 59 PHE N N 59 118.720 116.478 2.242 1
1 687 . 15 1 1 A 59 59 PHE H H 59 8.197 7.956 0.241 1
1 688 . 15 1 1 A 59 59 PHE CA C 59 59.396 59.016 0.380 1
1 689 . 15 1 1 A 59 59 PHE HA H 59 4.487 4.620 -0.133 1
1 690 . 15 1 1 A 59 59 PHE CB C 59 39.309 40.055 -0.746 1
1 703 . 15 1 1 A 59 59 PHE C C 59 177.355 176.887 0.468 1
1 704 . 15 1 1 A 60 60 ILE N N 60 120.989 120.127 0.862 1
1 705 . 15 1 1 A 60 60 ILE H H 60 7.940 7.916 0.024 1
1 706 . 15 1 1 A 60 60 ILE CA C 60 63.239 64.169 -0.930 1
1 707 . 15 1 1 A 60 60 ILE HA H 60 3.937 3.844 0.093 1
1 708 . 15 1 1 A 60 60 ILE CB C 60 38.017 37.539 0.478 1
1 721 . 15 1 1 A 60 60 ILE C C 60 177.197 178.410 -1.213 1
1 722 . 15 1 1 A 61 61 LYS N N 61 122.558 123.159 -0.601 1
1 723 . 15 1 1 A 61 61 LYS H H 61 8.056 8.115 -0.059 1
1 724 . 15 1 1 A 61 61 LYS CA C 61 57.840 59.342 -1.502 1
1 725 . 15 1 1 A 61 61 LYS HA H 61 4.158 4.046 0.112 1
1 726 . 15 1 1 A 61 61 LYS CB C 61 32.480 32.257 0.223 1
1 738 . 15 1 1 A 61 61 LYS C C 61 177.737 178.548 -0.811 1
1 739 . 15 1 1 A 62 62 LEU N N 62 120.763 118.647 2.116 1
1 740 . 15 1 1 A 62 62 LEU H H 62 8.145 8.095 0.050 1
1 741 . 15 1 1 A 62 62 LEU CA C 62 55.989 57.630 -1.641 1
1 742 . 15 1 1 A 62 62 LEU HA H 62 4.302 4.068 0.234 1
1 743 . 15 1 1 A 62 62 LEU CB C 62 42.379 41.668 0.711 1
1 756 . 15 1 1 A 62 62 LEU C C 62 178.178 177.102 1.076 1
1 757 . 15 1 1 A 63 63 THR N N 63 113.377 116.373 -2.996 1
1 758 . 15 1 1 A 63 63 THR H H 63 8.043 7.530 0.513 1
1 759 . 15 1 1 A 63 63 THR CA C 63 63.007 62.752 0.255 1
1 760 . 15 1 1 A 63 63 THR HA H 63 4.285 4.225 0.060 1
1 761 . 15 1 1 A 63 63 THR CB C 63 70.153 69.749 0.404 1
1 767 . 15 1 1 A 63 63 THR C C 63 175.775 174.669 1.106 1
1 768 . 15 1 1 A 64 64 LYS N N 64 122.961 124.799 -1.838 1
1 769 . 15 1 1 A 64 64 LYS H H 64 8.333 8.362 -0.029 1
1 770 . 15 1 1 A 64 64 LYS CA C 64 57.298 57.357 -0.059 1
1 771 . 15 1 1 A 64 64 LYS HA H 64 4.218 4.083 0.135 1
1 772 . 15 1 1 A 64 64 LYS CB C 64 32.578 32.890 -0.312 1
1 784 . 15 1 1 A 64 64 LYS C C 64 176.684 177.457 -0.773 1
1 785 . 15 1 1 A 65 65 ALA N N 65 123.107 125.322 -2.215 1
1 786 . 15 1 1 A 65 65 ALA H H 65 8.024 8.699 -0.675 1
1 787 . 15 1 1 A 65 65 ALA CA C 65 52.597 52.403 0.194 1
1 788 . 15 1 1 A 65 65 ALA HA H 65 4.323 4.374 -0.051 1
1 789 . 15 1 1 A 65 65 ALA CB C 65 19.229 17.959 1.270 1
1 793 . 15 1 1 A 65 65 ALA C C 65 178.017 177.939 0.078 1
1 794 . 15 1 1 A 66 66 GLY N N 66 107.464 105.877 1.587 1
1 795 . 15 1 1 A 66 66 GLY H H 66 8.165 7.993 0.172 1
1 796 . 15 1 1 A 66 66 GLY CA C 66 45.223 46.028 -0.805 1
1 797 . 15 1 1 A 66 66 GLY HA2 H 66 3.955 4.059 -0.104 1
1 798 . 15 1 1 A 66 66 GLY HA3 H 66 3.888 4.059 -0.171 1
1 799 . 15 1 1 A 66 66 GLY C C 66 173.809 172.944 0.865 1
1 800 . 15 1 1 A 67 67 ILE N N 67 121.784 119.185 2.599 1
1 801 . 15 1 1 A 67 67 ILE H H 67 7.825 7.373 0.452 1
1 802 . 15 1 1 A 67 67 ILE CA C 67 58.397 57.879 0.518 1
1 803 . 15 1 1 A 67 67 ILE HA H 67 4.457 4.648 -0.191 1
1 804 . 15 1 1 A 67 67 ILE CB C 67 38.622 41.315 -2.693 1
1 817 . 15 1 1 A 67 67 ILE C C 67 174.638 173.591 1.047 1
1 818 . 15 1 1 A 68 68 PRO CA C 68 63.157 62.518 0.639 1
1 819 . 15 1 1 A 68 68 PRO HA H 68 4.499 4.663 -0.164 1
1 820 . 15 1 1 A 68 68 PRO CB C 68 31.946 33.386 -1.440 1
1 829 . 15 1 1 A 68 68 PRO C C 68 176.866 175.582 1.284 1
1 830 . 15 1 1 A 69 69 VAL N N 69 120.953 119.838 1.115 1
1 831 . 15 1 1 A 69 69 VAL H H 69 8.269 8.412 -0.143 1
1 832 . 15 1 1 A 69 69 VAL CA C 69 62.460 60.431 2.029 1
1 833 . 15 1 1 A 69 69 VAL HA H 69 4.112 4.748 -0.636 1
1 834 . 15 1 1 A 69 69 VAL CB C 69 32.882 36.097 -3.215 1
1 844 . 15 1 1 A 69 69 VAL C C 69 176.217 174.560 1.657 1
1 845 . 15 1 1 A 70 70 SER N N 70 118.672 119.840 -1.168 1
1 846 . 15 1 1 A 70 70 SER H H 70 8.321 8.861 -0.540 1
1 847 . 15 1 1 A 70 70 SER CA C 70 58.127 56.571 1.556 1
1 848 . 15 1 1 A 70 70 SER HA H 70 4.536 5.234 -0.698 1
1 849 . 15 1 1 A 70 70 SER CB C 70 64.051 66.852 -2.801 1
1 852 . 15 1 1 A 70 70 SER C C 70 174.419 173.441 0.978 1
1 853 . 15 1 1 A 72 72 PRO CA C 72 63.221 64.092 -0.871 1
1 854 . 15 1 1 A 72 72 PRO HA H 72 4.480 4.539 -0.059 1
1 855 . 15 1 1 A 72 72 PRO CB C 72 32.287 31.794 0.493 1
1 864 . 15 1 1 A 73 73 SER N N 73 116.355 115.929 0.426 1
1 865 . 15 1 1 A 73 73 SER H H 73 8.521 7.641 0.880 1
1 866 . 15 1 1 A 73 73 SER CA C 73 58.407 60.724 -2.317 1
1 867 . 15 1 1 A 73 73 SER HA H 73 4.580 4.298 0.282 1
1 868 . 15 1 1 A 73 73 SER CB C 73 63.942 63.652 0.290 1
1 1 . 16 1 1 A 9 9 GLN CA C 9 56.082 54.527 1.555 1
1 2 . 16 1 1 A 9 9 GLN HA H 9 4.326 5.010 -0.684 1
1 3 . 16 1 1 A 9 9 GLN CB C 9 29.035 29.833 -0.798 1
1 9 . 16 1 1 A 9 9 GLN C C 9 176.519 174.919 1.600 1
1 10 . 16 1 1 A 10 10 LEU N N 10 124.239 122.529 1.710 1
1 11 . 16 1 1 A 10 10 LEU H H 10 8.287 8.563 -0.276 1
1 12 . 16 1 1 A 10 10 LEU CA C 10 55.553 53.361 2.192 1
1 13 . 16 1 1 A 10 10 LEU HA H 10 4.390 4.808 -0.418 1
1 14 . 16 1 1 A 10 10 LEU CB C 10 42.168 44.051 -1.883 1
1 27 . 16 1 1 A 10 10 LEU C C 10 177.357 176.802 0.555 1
1 28 . 16 1 1 A 11 11 TRP N N 11 124.940 119.739 5.201 1
1 29 . 16 1 1 A 11 11 TRP H H 11 8.879 8.968 -0.089 1
1 30 . 16 1 1 A 11 11 TRP CA C 11 56.849 56.647 0.202 1
1 31 . 16 1 1 A 11 11 TRP HA H 11 4.668 5.024 -0.356 1
1 32 . 16 1 1 A 11 11 TRP CB C 11 28.603 30.530 -1.927 1
1 47 . 16 1 1 A 11 11 TRP C C 11 177.416 176.729 0.687 1
1 48 . 16 1 1 A 12 12 THR N N 12 115.857 116.771 -0.914 1
1 49 . 16 1 1 A 12 12 THR H H 12 8.760 8.587 0.173 1
1 50 . 16 1 1 A 12 12 THR CA C 12 60.885 61.255 -0.370 1
1 51 . 16 1 1 A 12 12 THR HA H 12 4.509 4.567 -0.058 1
1 52 . 16 1 1 A 12 12 THR CB C 12 71.142 69.720 1.422 1
1 58 . 16 1 1 A 12 12 THR C C 12 175.828 175.873 -0.045 1
1 59 . 16 1 1 A 13 13 VAL N N 13 121.033 127.339 -6.306 1
1 60 . 16 1 1 A 13 13 VAL H H 13 8.782 8.806 -0.024 1
1 61 . 16 1 1 A 13 13 VAL CA C 13 66.558 67.063 -0.505 1
1 62 . 16 1 1 A 13 13 VAL HA H 13 3.784 3.720 0.064 1
1 63 . 16 1 1 A 13 13 VAL CB C 13 31.659 31.732 -0.073 1
1 73 . 16 1 1 A 13 13 VAL C C 13 178.595 177.269 1.326 1
1 74 . 16 1 1 A 14 14 GLU N N 14 119.290 118.905 0.385 1
1 75 . 16 1 1 A 14 14 GLU H H 14 8.586 8.405 0.181 1
1 76 . 16 1 1 A 14 14 GLU CA C 14 60.285 59.898 0.387 1
1 77 . 16 1 1 A 14 14 GLU HA H 14 4.024 3.993 0.031 1
1 78 . 16 1 1 A 14 14 GLU CB C 14 29.039 29.223 -0.184 1
1 84 . 16 1 1 A 14 14 GLU C C 14 179.736 179.283 0.453 1
1 85 . 16 1 1 A 15 15 GLU N N 15 121.533 120.334 1.199 1
1 86 . 16 1 1 A 15 15 GLU H H 15 7.934 8.092 -0.158 1
1 87 . 16 1 1 A 15 15 GLU CA C 15 59.834 59.262 0.572 1
1 88 . 16 1 1 A 15 15 GLU HA H 15 3.990 4.232 -0.242 1
1 89 . 16 1 1 A 15 15 GLU CB C 15 31.315 29.424 1.891 1
1 95 . 16 1 1 A 15 15 GLU C C 15 178.886 179.468 -0.582 1
1 96 . 16 1 1 A 16 16 GLN N N 16 119.475 119.237 0.238 1
1 97 . 16 1 1 A 16 16 GLN H H 16 8.595 8.905 -0.310 1
1 98 . 16 1 1 A 16 16 GLN CA C 16 59.369 59.434 -0.065 1
1 99 . 16 1 1 A 16 16 GLN HA H 16 4.104 4.158 -0.054 1
1 100 . 16 1 1 A 16 16 GLN CB C 16 28.376 28.546 -0.170 1
1 109 . 16 1 1 A 16 16 GLN C C 16 178.548 178.384 0.164 1
1 110 . 16 1 1 A 17 17 LYS N N 17 119.404 118.848 0.556 1
1 111 . 16 1 1 A 17 17 LYS H H 17 8.241 8.170 0.071 1
1 112 . 16 1 1 A 17 17 LYS CA C 17 59.175 59.492 -0.317 1
1 113 . 16 1 1 A 17 17 LYS HA H 17 4.103 4.186 -0.083 1
1 114 . 16 1 1 A 17 17 LYS CB C 17 31.980 32.474 -0.494 1
1 126 . 16 1 1 A 17 17 LYS C C 17 179.663 178.831 0.832 1
1 127 . 16 1 1 A 18 18 LYS N N 18 120.546 119.696 0.850 1
1 128 . 16 1 1 A 18 18 LYS H H 18 7.852 8.029 -0.177 1
1 129 . 16 1 1 A 18 18 LYS CA C 18 59.432 59.833 -0.401 1
1 130 . 16 1 1 A 18 18 LYS HA H 18 4.157 4.105 0.052 1
1 131 . 16 1 1 A 18 18 LYS CB C 18 32.166 32.723 -0.557 1
1 143 . 16 1 1 A 18 18 LYS C C 18 179.003 178.488 0.515 1
1 144 . 16 1 1 A 19 19 LEU N N 19 120.782 120.420 0.362 1
1 145 . 16 1 1 A 19 19 LEU H H 19 8.639 8.846 -0.207 1
1 146 . 16 1 1 A 19 19 LEU CA C 19 58.729 58.811 -0.082 1
1 147 . 16 1 1 A 19 19 LEU HA H 19 4.042 4.135 -0.093 1
1 148 . 16 1 1 A 19 19 LEU CB C 19 41.465 41.762 -0.297 1
1 161 . 16 1 1 A 19 19 LEU C C 19 177.410 178.429 -1.019 1
1 162 . 16 1 1 A 20 20 GLU N N 20 116.982 117.854 -0.872 1
1 163 . 16 1 1 A 20 20 GLU H H 20 7.981 8.230 -0.249 1
1 164 . 16 1 1 A 20 20 GLU CA C 20 60.285 59.939 0.346 1
1 165 . 16 1 1 A 20 20 GLU HA H 20 3.647 4.161 -0.514 1
1 166 . 16 1 1 A 20 20 GLU CB C 20 29.612 29.470 0.142 1
1 172 . 16 1 1 A 20 20 GLU C C 20 179.066 179.572 -0.506 1
1 173 . 16 1 1 A 21 21 GLN N N 21 115.877 118.919 -3.042 1
1 174 . 16 1 1 A 21 21 GLN H H 21 7.518 7.815 -0.297 1
1 175 . 16 1 1 A 21 21 GLN CA C 21 58.409 58.755 -0.346 1
1 176 . 16 1 1 A 21 21 GLN HA H 21 4.112 4.132 -0.020 1
1 177 . 16 1 1 A 21 21 GLN CB C 21 28.405 28.399 0.006 1
1 186 . 16 1 1 A 21 21 GLN C C 21 180.271 178.780 1.491 1
1 187 . 16 1 1 A 22 22 LEU N N 22 123.461 120.774 2.687 1
1 188 . 16 1 1 A 22 22 LEU H H 22 8.775 8.204 0.571 1
1 189 . 16 1 1 A 22 22 LEU CA C 22 57.782 58.022 -0.240 1
1 190 . 16 1 1 A 22 22 LEU HA H 22 4.243 4.059 0.184 1
1 191 . 16 1 1 A 22 22 LEU CB C 22 42.687 41.707 0.980 1
1 204 . 16 1 1 A 22 22 LEU C C 22 178.112 179.313 -1.201 1
1 205 . 16 1 1 A 23 23 LEU N N 23 119.576 118.629 0.947 1
1 206 . 16 1 1 A 23 23 LEU H H 23 8.260 8.689 -0.429 1
1 207 . 16 1 1 A 23 23 LEU CA C 23 57.281 58.408 -1.127 1
1 208 . 16 1 1 A 23 23 LEU HA H 23 4.174 4.097 0.077 1
1 209 . 16 1 1 A 23 23 LEU CB C 23 42.175 41.998 0.177 1
1 222 . 16 1 1 A 23 23 LEU C C 23 177.927 179.266 -1.339 1
1 223 . 16 1 1 A 24 24 ILE N N 24 116.614 119.634 -3.020 1
1 224 . 16 1 1 A 24 24 ILE H H 24 6.949 8.002 -1.053 1
1 225 . 16 1 1 A 24 24 ILE CA C 24 62.755 65.760 -3.005 1
1 226 . 16 1 1 A 24 24 ILE HA H 24 3.787 3.572 0.215 1
1 227 . 16 1 1 A 24 24 ILE CB C 24 38.208 37.776 0.432 1
1 240 . 16 1 1 A 24 24 ILE C C 24 177.066 178.101 -1.035 1
1 241 . 16 1 1 A 25 25 LYS N N 25 121.060 122.336 -1.276 1
1 242 . 16 1 1 A 25 25 LYS H H 25 7.421 7.873 -0.452 1
1 243 . 16 1 1 A 25 25 LYS CA C 25 59.281 58.893 0.388 1
1 244 . 16 1 1 A 25 25 LYS HA H 25 3.726 3.977 -0.251 1
1 245 . 16 1 1 A 25 25 LYS CB C 25 34.011 32.077 1.934 1
1 257 . 16 1 1 A 25 25 LYS C C 25 175.900 176.192 -0.292 1
1 258 . 16 1 1 A 26 26 TYR N N 26 117.015 116.562 0.453 1
1 259 . 16 1 1 A 26 26 TYR H H 26 8.124 8.564 -0.440 1
1 260 . 16 1 1 A 26 26 TYR CA C 26 54.995 55.027 -0.032 1
1 261 . 16 1 1 A 26 26 TYR HA H 26 4.988 4.989 -0.001 1
1 262 . 16 1 1 A 26 26 TYR CB C 26 37.055 38.492 -1.437 1
1 273 . 16 1 1 A 27 27 PRO CA C 27 62.102 61.649 0.453 1
1 274 . 16 1 1 A 27 27 PRO HA H 27 4.833 4.729 0.104 1
1 275 . 16 1 1 A 27 27 PRO CB C 27 30.960 31.758 -0.798 1
1 284 . 16 1 1 A 28 28 PRO CA C 28 64.218 62.664 1.554 1
1 285 . 16 1 1 A 28 28 PRO HA H 28 4.127 4.520 -0.393 1
1 286 . 16 1 1 A 28 28 PRO CB C 28 31.726 32.635 -0.909 1
1 295 . 16 1 1 A 28 28 PRO C C 28 175.552 176.272 -0.720 1
1 296 . 16 1 1 A 29 29 GLU N N 29 120.378 119.389 0.989 1
1 297 . 16 1 1 A 29 29 GLU H H 29 8.473 8.272 0.201 1
1 298 . 16 1 1 A 29 29 GLU CA C 29 54.425 54.901 -0.476 1
1 299 . 16 1 1 A 29 29 GLU HA H 29 4.734 4.800 -0.066 1
1 300 . 16 1 1 A 29 29 GLU CB C 29 33.430 31.666 1.764 1
1 306 . 16 1 1 A 29 29 GLU C C 29 175.244 176.873 -1.629 1
1 307 . 16 1 1 A 30 30 GLU N N 30 120.351 118.305 2.046 1
1 308 . 16 1 1 A 30 30 GLU H H 30 8.502 9.026 -0.524 1
1 309 . 16 1 1 A 30 30 GLU CA C 30 60.066 59.279 0.787 1
1 310 . 16 1 1 A 30 30 GLU HA H 30 3.898 4.098 -0.200 1
1 311 . 16 1 1 A 30 30 GLU CB C 30 30.038 28.898 1.140 1
1 317 . 16 1 1 A 30 30 GLU C C 30 177.211 176.813 0.398 1
1 318 . 16 1 1 A 31 31 VAL N N 31 119.224 118.531 0.693 1
1 319 . 16 1 1 A 31 31 VAL H H 31 8.363 8.157 0.206 1
1 320 . 16 1 1 A 31 31 VAL CA C 31 61.327 61.723 -0.396 1
1 321 . 16 1 1 A 31 31 VAL HA H 31 4.154 4.173 -0.019 1
1 322 . 16 1 1 A 31 31 VAL CB C 31 30.937 32.120 -1.183 1
1 332 . 16 1 1 A 31 31 VAL C C 31 176.298 176.390 -0.092 1
1 333 . 16 1 1 A 32 32 GLU N N 32 128.219 127.746 0.473 1
1 334 . 16 1 1 A 32 32 GLU H H 32 8.453 8.728 -0.275 1
1 335 . 16 1 1 A 32 32 GLU CA C 32 59.610 58.915 0.695 1
1 336 . 16 1 1 A 32 32 GLU HA H 32 3.729 3.632 0.097 1
1 337 . 16 1 1 A 32 32 GLU CB C 32 29.649 28.882 0.767 1
1 342 . 16 1 1 A 32 32 GLU C C 32 177.405 177.874 -0.469 1
1 343 . 16 1 1 A 33 33 SER N N 33 111.772 117.360 -5.588 1
1 344 . 16 1 1 A 33 33 SER H H 33 8.368 8.070 0.298 1
1 345 . 16 1 1 A 33 33 SER CA C 33 61.378 61.855 -0.477 1
1 346 . 16 1 1 A 33 33 SER HA H 33 4.087 4.191 -0.104 1
1 347 . 16 1 1 A 33 33 SER CB C 33 61.842 62.678 -0.836 1
1 350 . 16 1 1 A 33 33 SER C C 33 177.086 176.683 0.403 1
1 351 . 16 1 1 A 34 34 ARG N N 34 121.109 121.519 -0.410 1
1 352 . 16 1 1 A 34 34 ARG H H 34 7.445 7.949 -0.504 1
1 353 . 16 1 1 A 34 34 ARG CA C 34 58.682 59.802 -1.120 1
1 354 . 16 1 1 A 34 34 ARG HA H 34 4.067 3.903 0.164 1
1 355 . 16 1 1 A 34 34 ARG CB C 34 30.095 29.902 0.193 1
1 364 . 16 1 1 A 34 34 ARG C C 34 178.697 178.382 0.315 1
1 365 . 16 1 1 A 35 35 ARG N N 35 122.297 118.753 3.544 1
1 366 . 16 1 1 A 35 35 ARG H H 35 6.826 7.188 -0.362 1
1 367 . 16 1 1 A 35 35 ARG CA C 35 59.479 58.802 0.677 1
1 368 . 16 1 1 A 35 35 ARG HA H 35 3.718 3.840 -0.122 1
1 369 . 16 1 1 A 35 35 ARG CB C 35 30.578 29.456 1.122 1
1 380 . 16 1 1 A 35 35 ARG C C 35 178.318 178.853 -0.535 1
1 381 . 16 1 1 A 36 36 TRP N N 36 115.557 120.344 -4.787 1
1 382 . 16 1 1 A 36 36 TRP H H 36 7.702 7.184 0.518 1
1 383 . 16 1 1 A 36 36 TRP CA C 36 58.127 60.310 -2.183 1
1 384 . 16 1 1 A 36 36 TRP HA H 36 4.929 4.355 0.574 1
1 385 . 16 1 1 A 36 36 TRP CB C 36 30.618 29.187 1.431 1
1 400 . 16 1 1 A 36 36 TRP C C 36 178.742 178.534 0.208 1
1 401 . 16 1 1 A 37 37 GLN N N 37 117.116 119.218 -2.102 1
1 402 . 16 1 1 A 37 37 GLN H H 37 7.923 7.896 0.027 1
1 403 . 16 1 1 A 37 37 GLN CA C 37 58.501 59.132 -0.631 1
1 404 . 16 1 1 A 37 37 GLN HA H 37 3.950 4.056 -0.106 1
1 405 . 16 1 1 A 37 37 GLN CB C 37 28.719 28.107 0.612 1
1 414 . 16 1 1 A 37 37 GLN C C 37 177.079 178.471 -1.392 1
1 415 . 16 1 1 A 38 38 LYS N N 38 119.256 117.445 1.811 1
1 416 . 16 1 1 A 38 38 LYS H H 38 7.543 7.547 -0.004 1
1 417 . 16 1 1 A 38 38 LYS CA C 38 59.855 58.914 0.941 1
1 418 . 16 1 1 A 38 38 LYS HA H 38 3.875 3.892 -0.017 1
1 419 . 16 1 1 A 38 38 LYS CB C 38 31.717 31.757 -0.040 1
1 431 . 16 1 1 A 38 38 LYS C C 38 179.773 179.077 0.696 1
1 432 . 16 1 1 A 39 39 ILE N N 39 117.818 120.741 -2.923 1
1 433 . 16 1 1 A 39 39 ILE H H 39 7.614 7.627 -0.013 1
1 434 . 16 1 1 A 39 39 ILE CA C 39 66.296 65.937 0.359 1
1 435 . 16 1 1 A 39 39 ILE HA H 39 3.534 3.579 -0.045 1
1 436 . 16 1 1 A 39 39 ILE CB C 39 38.526 38.288 0.238 1
1 449 . 16 1 1 A 39 39 ILE C C 39 177.376 177.981 -0.605 1
1 450 . 16 1 1 A 40 40 ALA N N 40 122.394 122.509 -0.115 1
1 451 . 16 1 1 A 40 40 ALA H H 40 8.680 8.723 -0.043 1
1 452 . 16 1 1 A 40 40 ALA CA C 40 56.117 55.568 0.549 1
1 453 . 16 1 1 A 40 40 ALA HA H 40 3.732 4.089 -0.357 1
1 454 . 16 1 1 A 40 40 ALA CB C 40 17.581 18.492 -0.911 1
1 458 . 16 1 1 A 40 40 ALA C C 40 180.101 178.924 1.177 1
1 459 . 16 1 1 A 41 41 ASP N N 41 117.487 118.566 -1.079 1
1 460 . 16 1 1 A 41 41 ASP H H 41 8.516 8.333 0.183 1
1 461 . 16 1 1 A 41 41 ASP CA C 41 57.069 57.785 -0.716 1
1 462 . 16 1 1 A 41 41 ASP HA H 41 4.425 4.301 0.124 1
1 463 . 16 1 1 A 41 41 ASP CB C 41 40.176 40.772 -0.596 1
1 466 . 16 1 1 A 41 41 ASP C C 41 178.731 178.740 -0.009 1
1 467 . 16 1 1 A 42 42 GLU N N 42 118.631 118.210 0.421 1
1 468 . 16 1 1 A 42 42 GLU H H 42 7.391 8.012 -0.621 1
1 469 . 16 1 1 A 42 42 GLU CA C 42 59.678 59.303 0.375 1
1 470 . 16 1 1 A 42 42 GLU HA H 42 4.246 4.053 0.193 1
1 471 . 16 1 1 A 42 42 GLU CB C 42 29.612 29.448 0.164 1
1 477 . 16 1 1 A 42 42 GLU C C 42 178.559 179.241 -0.682 1
1 478 . 16 1 1 A 43 43 LEU N N 43 120.834 119.764 1.070 1
1 479 . 16 1 1 A 43 43 LEU H H 43 8.247 7.508 0.739 1
1 480 . 16 1 1 A 43 43 LEU CA C 43 57.274 57.097 0.177 1
1 481 . 16 1 1 A 43 43 LEU HA H 43 4.171 4.003 0.168 1
1 482 . 16 1 1 A 43 43 LEU CB C 43 42.237 42.472 -0.235 1
1 495 . 16 1 1 A 43 43 LEU C C 43 179.282 177.169 2.113 1
1 496 . 16 1 1 A 44 44 GLY N N 44 106.089 107.574 -1.485 1
1 497 . 16 1 1 A 44 44 GLY H H 44 8.218 8.186 0.032 1
1 498 . 16 1 1 A 44 44 GLY CA C 44 46.203 45.596 0.607 1
1 499 . 16 1 1 A 44 44 GLY HA2 H 44 3.738 3.981 -0.243 1
1 500 . 16 1 1 A 44 44 GLY HA3 H 44 4.181 3.982 0.199 1
1 501 . 16 1 1 A 44 44 GLY C C 44 174.363 175.831 -1.468 1
1 502 . 16 1 1 A 45 45 ASN N N 45 117.303 118.091 -0.788 1
1 503 . 16 1 1 A 45 45 ASN H H 45 8.060 8.313 -0.253 1
1 504 . 16 1 1 A 45 45 ASN CA C 45 52.872 55.428 -2.556 1
1 505 . 16 1 1 A 45 45 ASN HA H 45 4.637 4.450 0.187 1
1 506 . 16 1 1 A 45 45 ASN CB C 45 38.017 38.529 -0.512 1
1 512 . 16 1 1 A 45 45 ASN C C 45 174.403 176.170 -1.767 1
1 513 . 16 1 1 A 46 46 ARG N N 46 115.501 117.011 -1.510 1
1 514 . 16 1 1 A 46 46 ARG H H 46 7.091 7.657 -0.566 1
1 515 . 16 1 1 A 46 46 ARG CA C 46 52.521 54.970 -2.449 1
1 516 . 16 1 1 A 46 46 ARG HA H 46 4.948 4.957 -0.009 1
1 517 . 16 1 1 A 46 46 ARG CB C 46 35.298 31.716 3.582 1
1 528 . 16 1 1 A 46 46 ARG C C 46 175.373 175.700 -0.327 1
1 529 . 16 1 1 A 47 47 THR N N 47 110.043 111.588 -1.545 1
1 530 . 16 1 1 A 47 47 THR H H 47 8.411 8.315 0.096 1
1 531 . 16 1 1 A 47 47 THR CA C 47 59.643 59.406 0.237 1
1 532 . 16 1 1 A 47 47 THR HA H 47 4.602 4.990 -0.388 1
1 533 . 16 1 1 A 47 47 THR CB C 47 71.307 71.939 -0.632 1
1 539 . 16 1 1 A 47 47 THR C C 47 175.891 175.537 0.354 1
1 540 . 16 1 1 A 48 48 ALA N N 48 123.448 125.255 -1.807 1
1 541 . 16 1 1 A 48 48 ALA H H 48 9.205 9.068 0.137 1
1 542 . 16 1 1 A 48 48 ALA CA C 48 55.820 55.839 -0.019 1
1 543 . 16 1 1 A 48 48 ALA HA H 48 3.869 4.075 -0.206 1
1 544 . 16 1 1 A 48 48 ALA CB C 48 17.997 18.512 -0.515 1
1 548 . 16 1 1 A 48 48 ALA C C 48 179.731 179.729 0.002 1
1 549 . 16 1 1 A 49 49 LYS N N 49 117.235 118.213 -0.978 1
1 550 . 16 1 1 A 49 49 LYS H H 49 8.127 8.355 -0.228 1
1 551 . 16 1 1 A 49 49 LYS CA C 49 59.436 60.045 -0.609 1
1 552 . 16 1 1 A 49 49 LYS HA H 49 4.008 3.819 0.189 1
1 553 . 16 1 1 A 49 49 LYS CB C 49 32.661 32.514 0.147 1
1 565 . 16 1 1 A 49 49 LYS C C 49 179.567 178.518 1.049 1
1 566 . 16 1 1 A 50 50 GLN N N 50 119.324 117.896 1.428 1
1 567 . 16 1 1 A 50 50 GLN H H 50 7.753 7.852 -0.099 1
1 568 . 16 1 1 A 50 50 GLN CA C 50 58.938 59.277 -0.339 1
1 569 . 16 1 1 A 50 50 GLN HA H 50 4.191 3.988 0.203 1
1 570 . 16 1 1 A 50 50 GLN CB C 50 29.389 28.405 0.984 1
1 579 . 16 1 1 A 50 50 GLN C C 50 180.097 178.605 1.492 1
1 580 . 16 1 1 A 51 51 VAL N N 51 120.881 120.305 0.576 1
1 581 . 16 1 1 A 51 51 VAL H H 51 8.397 8.348 0.049 1
1 582 . 16 1 1 A 51 51 VAL CA C 51 67.510 66.332 1.178 1
1 583 . 16 1 1 A 51 51 VAL HA H 51 3.491 3.744 -0.253 1
1 584 . 16 1 1 A 51 51 VAL CB C 51 31.871 31.527 0.344 1
1 594 . 16 1 1 A 51 51 VAL C C 51 176.150 177.981 -1.831 1
1 595 . 16 1 1 A 52 52 ALA N N 52 120.695 122.180 -1.485 1
1 596 . 16 1 1 A 52 52 ALA H H 52 8.057 8.202 -0.145 1
1 597 . 16 1 1 A 52 52 ALA CA C 52 55.307 55.094 0.213 1
1 598 . 16 1 1 A 52 52 ALA HA H 52 2.379 2.887 -0.508 1
1 599 . 16 1 1 A 52 52 ALA CB C 52 17.410 18.415 -1.005 1
1 603 . 16 1 1 A 52 52 ALA C C 52 180.088 178.983 1.105 1
1 604 . 16 1 1 A 53 53 SER N N 53 110.953 112.799 -1.846 1
1 605 . 16 1 1 A 53 53 SER H H 53 7.653 7.829 -0.176 1
1 606 . 16 1 1 A 53 53 SER CA C 53 61.291 61.328 -0.037 1
1 607 . 16 1 1 A 53 53 SER HA H 53 4.049 4.072 -0.023 1
1 608 . 16 1 1 A 53 53 SER CB C 53 63.032 62.745 0.287 1
1 610 . 16 1 1 A 53 53 SER C C 53 180.076 175.902 4.174 1
1 611 . 16 1 1 A 54 54 GLN N N 54 123.306 121.358 1.948 1
1 612 . 16 1 1 A 54 54 GLN H H 54 7.615 7.562 0.053 1
1 613 . 16 1 1 A 54 54 GLN CA C 54 57.843 58.163 -0.320 1
1 614 . 16 1 1 A 54 54 GLN HA H 54 3.844 3.800 0.044 1
1 615 . 16 1 1 A 54 54 GLN CB C 54 27.422 27.454 -0.032 1
1 624 . 16 1 1 A 55 55 VAL N N 55 119.150 119.798 -0.648 1
1 625 . 16 1 1 A 55 55 VAL H H 55 8.266 8.053 0.213 1
1 626 . 16 1 1 A 55 55 VAL CA C 55 66.491 66.337 0.154 1
1 627 . 16 1 1 A 55 55 VAL HA H 55 3.417 3.392 0.025 1
1 628 . 16 1 1 A 55 55 VAL CB C 55 31.306 31.149 0.157 1
1 638 . 16 1 1 A 55 55 VAL C C 55 177.640 177.848 -0.208 1
1 639 . 16 1 1 A 56 56 GLN N N 56 116.992 119.007 -2.015 1
1 640 . 16 1 1 A 56 56 GLN H H 56 7.578 7.495 0.083 1
1 641 . 16 1 1 A 56 56 GLN CA C 56 58.616 58.875 -0.259 1
1 642 . 16 1 1 A 56 56 GLN HA H 56 3.964 3.957 0.007 1
1 643 . 16 1 1 A 56 56 GLN CB C 56 28.115 28.453 -0.338 1
1 652 . 16 1 1 A 56 56 GLN C C 56 177.976 178.148 -0.172 1
1 653 . 16 1 1 A 57 57 LYS N N 57 117.073 117.386 -0.313 1
1 654 . 16 1 1 A 57 57 LYS H H 57 7.378 8.201 -0.823 1
1 655 . 16 1 1 A 57 57 LYS CA C 57 58.958 57.602 1.356 1
1 656 . 16 1 1 A 57 57 LYS HA H 57 3.897 4.294 -0.397 1
1 657 . 16 1 1 A 57 57 LYS CB C 57 32.837 32.220 0.617 1
1 669 . 16 1 1 A 57 57 LYS C C 57 178.237 177.174 1.063 1
1 670 . 16 1 1 A 58 58 TYR N N 58 117.398 117.460 -0.062 1
1 671 . 16 1 1 A 58 58 TYR H H 58 7.722 8.154 -0.432 1
1 672 . 16 1 1 A 58 58 TYR CA C 58 59.231 59.086 0.145 1
1 673 . 16 1 1 A 58 58 TYR HA H 58 4.422 4.652 -0.230 1
1 674 . 16 1 1 A 58 58 TYR CB C 58 38.850 40.652 -1.802 1
1 685 . 16 1 1 A 58 58 TYR C C 58 176.329 176.832 -0.503 1
1 686 . 16 1 1 A 59 59 PHE N N 59 118.720 116.339 2.381 1
1 687 . 16 1 1 A 59 59 PHE H H 59 8.197 7.987 0.210 1
1 688 . 16 1 1 A 59 59 PHE CA C 59 59.396 58.689 0.707 1
1 689 . 16 1 1 A 59 59 PHE HA H 59 4.487 4.704 -0.217 1
1 690 . 16 1 1 A 59 59 PHE CB C 59 39.309 40.921 -1.612 1
1 703 . 16 1 1 A 59 59 PHE C C 59 177.355 176.893 0.462 1
1 704 . 16 1 1 A 60 60 ILE N N 60 120.989 120.404 0.585 1
1 705 . 16 1 1 A 60 60 ILE H H 60 7.940 8.030 -0.090 1
1 706 . 16 1 1 A 60 60 ILE CA C 60 63.239 61.978 1.261 1
1 707 . 16 1 1 A 60 60 ILE HA H 60 3.937 4.206 -0.269 1
1 708 . 16 1 1 A 60 60 ILE CB C 60 38.017 38.447 -0.430 1
1 721 . 16 1 1 A 60 60 ILE C C 60 177.197 177.920 -0.723 1
1 722 . 16 1 1 A 61 61 LYS N N 61 122.558 123.500 -0.942 1
1 723 . 16 1 1 A 61 61 LYS H H 61 8.056 8.037 0.019 1
1 724 . 16 1 1 A 61 61 LYS CA C 61 57.840 58.958 -1.118 1
1 725 . 16 1 1 A 61 61 LYS HA H 61 4.158 4.084 0.074 1
1 726 . 16 1 1 A 61 61 LYS CB C 61 32.480 32.447 0.033 1
1 738 . 16 1 1 A 61 61 LYS C C 61 177.737 178.888 -1.151 1
1 739 . 16 1 1 A 62 62 LEU N N 62 120.763 116.163 4.600 1
1 740 . 16 1 1 A 62 62 LEU H H 62 8.145 7.865 0.280 1
1 741 . 16 1 1 A 62 62 LEU CA C 62 55.989 55.730 0.259 1
1 742 . 16 1 1 A 62 62 LEU HA H 62 4.302 4.316 -0.014 1
1 743 . 16 1 1 A 62 62 LEU CB C 62 42.379 41.614 0.765 1
1 756 . 16 1 1 A 62 62 LEU C C 62 178.178 176.831 1.347 1
1 757 . 16 1 1 A 63 63 THR N N 63 113.377 116.764 -3.387 1
1 758 . 16 1 1 A 63 63 THR H H 63 8.043 7.552 0.491 1
1 759 . 16 1 1 A 63 63 THR CA C 63 63.007 62.761 0.246 1
1 760 . 16 1 1 A 63 63 THR HA H 63 4.285 4.223 0.062 1
1 761 . 16 1 1 A 63 63 THR CB C 63 70.153 69.509 0.644 1
1 767 . 16 1 1 A 63 63 THR C C 63 175.775 173.962 1.813 1
1 768 . 16 1 1 A 64 64 LYS N N 64 122.961 121.934 1.027 1
1 769 . 16 1 1 A 64 64 LYS H H 64 8.333 8.368 -0.035 1
1 770 . 16 1 1 A 64 64 LYS CA C 64 57.298 56.555 0.743 1
1 771 . 16 1 1 A 64 64 LYS HA H 64 4.218 4.198 0.020 1
1 772 . 16 1 1 A 64 64 LYS CB C 64 32.578 33.042 -0.464 1
1 784 . 16 1 1 A 64 64 LYS C C 64 176.684 177.036 -0.352 1
1 785 . 16 1 1 A 65 65 ALA N N 65 123.107 122.956 0.151 1
1 786 . 16 1 1 A 65 65 ALA H H 65 8.024 8.777 -0.753 1
1 787 . 16 1 1 A 65 65 ALA CA C 65 52.597 54.123 -1.526 1
1 788 . 16 1 1 A 65 65 ALA HA H 65 4.323 4.076 0.247 1
1 789 . 16 1 1 A 65 65 ALA CB C 65 19.229 18.952 0.277 1
1 793 . 16 1 1 A 65 65 ALA C C 65 178.017 179.577 -1.560 1
1 794 . 16 1 1 A 66 66 GLY N N 66 107.464 105.833 1.631 1
1 795 . 16 1 1 A 66 66 GLY H H 66 8.165 8.298 -0.133 1
1 796 . 16 1 1 A 66 66 GLY CA C 66 45.223 47.332 -2.109 1
1 797 . 16 1 1 A 66 66 GLY HA2 H 66 3.955 3.853 0.102 1
1 798 . 16 1 1 A 66 66 GLY HA3 H 66 3.888 3.853 0.035 1
1 799 . 16 1 1 A 66 66 GLY C C 66 173.809 175.452 -1.643 1
1 800 . 16 1 1 A 67 67 ILE N N 67 121.784 122.155 -0.371 1
1 801 . 16 1 1 A 67 67 ILE H H 67 7.825 7.510 0.315 1
1 802 . 16 1 1 A 67 67 ILE CA C 67 58.397 60.327 -1.930 1
1 803 . 16 1 1 A 67 67 ILE HA H 67 4.457 4.141 0.316 1
1 804 . 16 1 1 A 67 67 ILE CB C 67 38.622 37.673 0.949 1
1 817 . 16 1 1 A 67 67 ILE C C 67 174.638 174.105 0.533 1
1 818 . 16 1 1 A 68 68 PRO CA C 68 63.157 62.856 0.301 1
1 819 . 16 1 1 A 68 68 PRO HA H 68 4.499 4.439 0.060 1
1 820 . 16 1 1 A 68 68 PRO CB C 68 31.946 32.352 -0.406 1
1 829 . 16 1 1 A 68 68 PRO C C 68 176.866 177.361 -0.495 1
1 830 . 16 1 1 A 69 69 VAL N N 69 120.953 122.893 -1.940 1
1 831 . 16 1 1 A 69 69 VAL H H 69 8.269 8.889 -0.620 1
1 832 . 16 1 1 A 69 69 VAL CA C 69 62.460 63.213 -0.753 1
1 833 . 16 1 1 A 69 69 VAL HA H 69 4.112 3.735 0.377 1
1 834 . 16 1 1 A 69 69 VAL CB C 69 32.882 30.056 2.826 1
1 844 . 16 1 1 A 69 69 VAL C C 69 176.217 175.571 0.646 1
1 845 . 16 1 1 A 70 70 SER N N 70 118.672 117.729 0.943 1
1 846 . 16 1 1 A 70 70 SER H H 70 8.321 7.723 0.598 1
1 847 . 16 1 1 A 70 70 SER CA C 70 58.127 59.956 -1.829 1
1 848 . 16 1 1 A 70 70 SER HA H 70 4.536 4.379 0.157 1
1 849 . 16 1 1 A 70 70 SER CB C 70 64.051 64.223 -0.172 1
1 852 . 16 1 1 A 70 70 SER C C 70 174.419 175.232 -0.813 1
1 853 . 16 1 1 A 72 72 PRO CA C 72 63.221 62.358 0.863 1
1 854 . 16 1 1 A 72 72 PRO HA H 72 4.480 4.572 -0.092 1
1 855 . 16 1 1 A 72 72 PRO CB C 72 32.287 32.661 -0.374 1
1 864 . 16 1 1 A 73 73 SER N N 73 116.355 114.008 2.347 1
1 865 . 16 1 1 A 73 73 SER H H 73 8.521 8.456 0.065 1
1 866 . 16 1 1 A 73 73 SER CA C 73 58.407 56.639 1.768 1
1 867 . 16 1 1 A 73 73 SER HA H 73 4.580 4.930 -0.350 1
1 868 . 16 1 1 A 73 73 SER CB C 73 63.942 65.632 -1.690 1
1 1 . 17 1 1 A 9 9 GLN CA C 9 56.082 55.337 0.745 1
1 2 . 17 1 1 A 9 9 GLN HA H 9 4.326 4.649 -0.323 1
1 3 . 17 1 1 A 9 9 GLN CB C 9 29.035 29.724 -0.689 1
1 9 . 17 1 1 A 9 9 GLN C C 9 176.519 175.604 0.915 1
1 10 . 17 1 1 A 10 10 LEU N N 10 124.239 124.030 0.209 1
1 11 . 17 1 1 A 10 10 LEU H H 10 8.287 8.665 -0.378 1
1 12 . 17 1 1 A 10 10 LEU CA C 10 55.553 55.100 0.453 1
1 13 . 17 1 1 A 10 10 LEU HA H 10 4.390 4.502 -0.112 1
1 14 . 17 1 1 A 10 10 LEU CB C 10 42.168 42.575 -0.407 1
1 27 . 17 1 1 A 10 10 LEU C C 10 177.357 176.343 1.014 1
1 28 . 17 1 1 A 11 11 TRP N N 11 124.940 121.238 3.702 1
1 29 . 17 1 1 A 11 11 TRP H H 11 8.879 9.267 -0.388 1
1 30 . 17 1 1 A 11 11 TRP CA C 11 56.849 55.876 0.973 1
1 31 . 17 1 1 A 11 11 TRP HA H 11 4.668 5.400 -0.732 1
1 32 . 17 1 1 A 11 11 TRP CB C 11 28.603 33.200 -4.597 1
1 47 . 17 1 1 A 11 11 TRP C C 11 177.416 174.785 2.631 1
1 48 . 17 1 1 A 12 12 THR N N 12 115.857 114.781 1.076 1
1 49 . 17 1 1 A 12 12 THR H H 12 8.760 8.475 0.285 1
1 50 . 17 1 1 A 12 12 THR CA C 12 60.885 59.339 1.546 1
1 51 . 17 1 1 A 12 12 THR HA H 12 4.509 4.984 -0.475 1
1 52 . 17 1 1 A 12 12 THR CB C 12 71.142 70.536 0.606 1
1 58 . 17 1 1 A 12 12 THR C C 12 175.828 175.763 0.065 1
1 59 . 17 1 1 A 13 13 VAL N N 13 121.033 127.541 -6.508 1
1 60 . 17 1 1 A 13 13 VAL H H 13 8.782 8.805 -0.023 1
1 61 . 17 1 1 A 13 13 VAL CA C 13 66.558 66.852 -0.294 1
1 62 . 17 1 1 A 13 13 VAL HA H 13 3.784 3.747 0.037 1
1 63 . 17 1 1 A 13 13 VAL CB C 13 31.659 31.745 -0.086 1
1 73 . 17 1 1 A 13 13 VAL C C 13 178.595 177.322 1.273 1
1 74 . 17 1 1 A 14 14 GLU N N 14 119.290 119.043 0.247 1
1 75 . 17 1 1 A 14 14 GLU H H 14 8.586 8.372 0.214 1
1 76 . 17 1 1 A 14 14 GLU CA C 14 60.285 59.740 0.545 1
1 77 . 17 1 1 A 14 14 GLU HA H 14 4.024 4.030 -0.006 1
1 78 . 17 1 1 A 14 14 GLU CB C 14 29.039 29.473 -0.434 1
1 84 . 17 1 1 A 14 14 GLU C C 14 179.736 179.474 0.262 1
1 85 . 17 1 1 A 15 15 GLU N N 15 121.533 119.995 1.538 1
1 86 . 17 1 1 A 15 15 GLU H H 15 7.934 8.455 -0.521 1
1 87 . 17 1 1 A 15 15 GLU CA C 15 59.834 59.235 0.599 1
1 88 . 17 1 1 A 15 15 GLU HA H 15 3.990 4.182 -0.192 1
1 89 . 17 1 1 A 15 15 GLU CB C 15 31.315 29.460 1.855 1
1 95 . 17 1 1 A 15 15 GLU C C 15 178.886 179.216 -0.330 1
1 96 . 17 1 1 A 16 16 GLN N N 16 119.475 119.106 0.369 1
1 97 . 17 1 1 A 16 16 GLN H H 16 8.595 8.912 -0.317 1
1 98 . 17 1 1 A 16 16 GLN CA C 16 59.369 59.611 -0.242 1
1 99 . 17 1 1 A 16 16 GLN HA H 16 4.104 4.122 -0.018 1
1 100 . 17 1 1 A 16 16 GLN CB C 16 28.376 28.533 -0.157 1
1 109 . 17 1 1 A 16 16 GLN C C 16 178.548 178.390 0.158 1
1 110 . 17 1 1 A 17 17 LYS N N 17 119.404 118.839 0.565 1
1 111 . 17 1 1 A 17 17 LYS H H 17 8.241 8.279 -0.038 1
1 112 . 17 1 1 A 17 17 LYS CA C 17 59.175 59.390 -0.215 1
1 113 . 17 1 1 A 17 17 LYS HA H 17 4.103 4.115 -0.012 1
1 114 . 17 1 1 A 17 17 LYS CB C 17 31.980 32.225 -0.245 1
1 126 . 17 1 1 A 17 17 LYS C C 17 179.663 178.987 0.676 1
1 127 . 17 1 1 A 18 18 LYS N N 18 120.546 119.688 0.858 1
1 128 . 17 1 1 A 18 18 LYS H H 18 7.852 8.179 -0.327 1
1 129 . 17 1 1 A 18 18 LYS CA C 18 59.432 58.716 0.716 1
1 130 . 17 1 1 A 18 18 LYS HA H 18 4.157 4.150 0.007 1
1 131 . 17 1 1 A 18 18 LYS CB C 18 32.166 32.343 -0.177 1
1 143 . 17 1 1 A 18 18 LYS C C 18 179.003 178.695 0.308 1
1 144 . 17 1 1 A 19 19 LEU N N 19 120.782 120.826 -0.044 1
1 145 . 17 1 1 A 19 19 LEU H H 19 8.639 8.291 0.348 1
1 146 . 17 1 1 A 19 19 LEU CA C 19 58.729 57.468 1.261 1
1 147 . 17 1 1 A 19 19 LEU HA H 19 4.042 4.282 -0.240 1
1 148 . 17 1 1 A 19 19 LEU CB C 19 41.465 42.192 -0.727 1
1 161 . 17 1 1 A 19 19 LEU C C 19 177.410 178.753 -1.343 1
1 162 . 17 1 1 A 20 20 GLU N N 20 116.982 118.003 -1.021 1
1 163 . 17 1 1 A 20 20 GLU H H 20 7.981 8.400 -0.419 1
1 164 . 17 1 1 A 20 20 GLU CA C 20 60.285 59.888 0.397 1
1 165 . 17 1 1 A 20 20 GLU HA H 20 3.647 4.100 -0.453 1
1 166 . 17 1 1 A 20 20 GLU CB C 20 29.612 29.427 0.185 1
1 172 . 17 1 1 A 20 20 GLU C C 20 179.066 179.413 -0.347 1
1 173 . 17 1 1 A 21 21 GLN N N 21 115.877 119.267 -3.390 1
1 174 . 17 1 1 A 21 21 GLN H H 21 7.518 7.546 -0.028 1
1 175 . 17 1 1 A 21 21 GLN CA C 21 58.409 58.923 -0.514 1
1 176 . 17 1 1 A 21 21 GLN HA H 21 4.112 4.089 0.023 1
1 177 . 17 1 1 A 21 21 GLN CB C 21 28.405 28.418 -0.013 1
1 186 . 17 1 1 A 21 21 GLN C C 21 180.271 178.707 1.564 1
1 187 . 17 1 1 A 22 22 LEU N N 22 123.461 120.904 2.557 1
1 188 . 17 1 1 A 22 22 LEU H H 22 8.775 7.812 0.963 1
1 189 . 17 1 1 A 22 22 LEU CA C 22 57.782 57.919 -0.137 1
1 190 . 17 1 1 A 22 22 LEU HA H 22 4.243 4.063 0.180 1
1 191 . 17 1 1 A 22 22 LEU CB C 22 42.687 41.914 0.773 1
1 204 . 17 1 1 A 22 22 LEU C C 22 178.112 179.189 -1.077 1
1 205 . 17 1 1 A 23 23 LEU N N 23 119.576 118.122 1.454 1
1 206 . 17 1 1 A 23 23 LEU H H 23 8.260 8.655 -0.395 1
1 207 . 17 1 1 A 23 23 LEU CA C 23 57.281 58.402 -1.121 1
1 208 . 17 1 1 A 23 23 LEU HA H 23 4.174 4.165 0.009 1
1 209 . 17 1 1 A 23 23 LEU CB C 23 42.175 41.941 0.234 1
1 222 . 17 1 1 A 23 23 LEU C C 23 177.927 179.275 -1.348 1
1 223 . 17 1 1 A 24 24 ILE N N 24 116.614 119.415 -2.801 1
1 224 . 17 1 1 A 24 24 ILE H H 24 6.949 7.861 -0.912 1
1 225 . 17 1 1 A 24 24 ILE CA C 24 62.755 64.959 -2.204 1
1 226 . 17 1 1 A 24 24 ILE HA H 24 3.787 3.691 0.096 1
1 227 . 17 1 1 A 24 24 ILE CB C 24 38.208 37.348 0.860 1
1 240 . 17 1 1 A 24 24 ILE C C 24 177.066 177.864 -0.798 1
1 241 . 17 1 1 A 25 25 LYS N N 25 121.060 122.515 -1.455 1
1 242 . 17 1 1 A 25 25 LYS H H 25 7.421 8.024 -0.603 1
1 243 . 17 1 1 A 25 25 LYS CA C 25 59.281 59.204 0.077 1
1 244 . 17 1 1 A 25 25 LYS HA H 25 3.726 3.999 -0.273 1
1 245 . 17 1 1 A 25 25 LYS CB C 25 34.011 32.067 1.944 1
1 257 . 17 1 1 A 25 25 LYS C C 25 175.900 176.082 -0.182 1
1 258 . 17 1 1 A 26 26 TYR N N 26 117.015 117.083 -0.068 1
1 259 . 17 1 1 A 26 26 TYR H H 26 8.124 8.569 -0.445 1
1 260 . 17 1 1 A 26 26 TYR CA C 26 54.995 56.061 -1.066 1
1 261 . 17 1 1 A 26 26 TYR HA H 26 4.988 4.777 0.211 1
1 262 . 17 1 1 A 26 26 TYR CB C 26 37.055 38.599 -1.544 1
1 273 . 17 1 1 A 27 27 PRO CA C 27 62.102 61.702 0.400 1
1 274 . 17 1 1 A 27 27 PRO HA H 27 4.833 4.710 0.123 1
1 275 . 17 1 1 A 27 27 PRO CB C 27 30.960 31.529 -0.569 1
1 284 . 17 1 1 A 28 28 PRO CA C 28 64.218 62.743 1.475 1
1 285 . 17 1 1 A 28 28 PRO HA H 28 4.127 4.512 -0.385 1
1 286 . 17 1 1 A 28 28 PRO CB C 28 31.726 32.705 -0.979 1
1 295 . 17 1 1 A 28 28 PRO C C 28 175.552 176.185 -0.633 1
1 296 . 17 1 1 A 29 29 GLU N N 29 120.378 118.050 2.328 1
1 297 . 17 1 1 A 29 29 GLU H H 29 8.473 8.329 0.144 1
1 298 . 17 1 1 A 29 29 GLU CA C 29 54.425 54.731 -0.306 1
1 299 . 17 1 1 A 29 29 GLU HA H 29 4.734 4.885 -0.151 1
1 300 . 17 1 1 A 29 29 GLU CB C 29 33.430 32.782 0.648 1
1 306 . 17 1 1 A 29 29 GLU C C 29 175.244 176.275 -1.031 1
1 307 . 17 1 1 A 30 30 GLU N N 30 120.351 120.641 -0.290 1
1 308 . 17 1 1 A 30 30 GLU H H 30 8.502 8.837 -0.335 1
1 309 . 17 1 1 A 30 30 GLU CA C 30 60.066 60.297 -0.231 1
1 310 . 17 1 1 A 30 30 GLU HA H 30 3.898 3.937 -0.039 1
1 311 . 17 1 1 A 30 30 GLU CB C 30 30.038 29.886 0.152 1
1 317 . 17 1 1 A 30 30 GLU C C 30 177.211 176.293 0.918 1
1 318 . 17 1 1 A 31 31 VAL N N 31 119.224 117.786 1.438 1
1 319 . 17 1 1 A 31 31 VAL H H 31 8.363 8.088 0.275 1
1 320 . 17 1 1 A 31 31 VAL CA C 31 61.327 61.658 -0.331 1
1 321 . 17 1 1 A 31 31 VAL HA H 31 4.154 4.191 -0.037 1
1 322 . 17 1 1 A 31 31 VAL CB C 31 30.937 31.064 -0.127 1
1 332 . 17 1 1 A 31 31 VAL C C 31 176.298 176.735 -0.437 1
1 333 . 17 1 1 A 32 32 GLU N N 32 128.219 126.979 1.240 1
1 334 . 17 1 1 A 32 32 GLU H H 32 8.453 8.726 -0.273 1
1 335 . 17 1 1 A 32 32 GLU CA C 32 59.610 58.844 0.766 1
1 336 . 17 1 1 A 32 32 GLU HA H 32 3.729 3.577 0.152 1
1 337 . 17 1 1 A 32 32 GLU CB C 32 29.649 28.824 0.825 1
1 342 . 17 1 1 A 32 32 GLU C C 32 177.405 177.906 -0.501 1
1 343 . 17 1 1 A 33 33 SER N N 33 111.772 115.387 -3.615 1
1 344 . 17 1 1 A 33 33 SER H H 33 8.368 8.066 0.302 1
1 345 . 17 1 1 A 33 33 SER CA C 33 61.378 61.735 -0.357 1
1 346 . 17 1 1 A 33 33 SER HA H 33 4.087 4.167 -0.080 1
1 347 . 17 1 1 A 33 33 SER CB C 33 61.842 62.956 -1.114 1
1 350 . 17 1 1 A 33 33 SER C C 33 177.086 177.192 -0.106 1
1 351 . 17 1 1 A 34 34 ARG N N 34 121.109 120.999 0.110 1
1 352 . 17 1 1 A 34 34 ARG H H 34 7.445 7.675 -0.230 1
1 353 . 17 1 1 A 34 34 ARG CA C 34 58.682 59.594 -0.912 1
1 354 . 17 1 1 A 34 34 ARG HA H 34 4.067 3.965 0.102 1
1 355 . 17 1 1 A 34 34 ARG CB C 34 30.095 29.936 0.159 1
1 364 . 17 1 1 A 34 34 ARG C C 34 178.697 178.656 0.041 1
1 365 . 17 1 1 A 35 35 ARG N N 35 122.297 118.874 3.423 1
1 366 . 17 1 1 A 35 35 ARG H H 35 6.826 6.873 -0.047 1
1 367 . 17 1 1 A 35 35 ARG CA C 35 59.479 58.754 0.725 1
1 368 . 17 1 1 A 35 35 ARG HA H 35 3.718 3.819 -0.101 1
1 369 . 17 1 1 A 35 35 ARG CB C 35 30.578 29.370 1.208 1
1 380 . 17 1 1 A 35 35 ARG C C 35 178.318 178.666 -0.348 1
1 381 . 17 1 1 A 36 36 TRP N N 36 115.557 120.185 -4.628 1
1 382 . 17 1 1 A 36 36 TRP H H 36 7.702 7.338 0.364 1
1 383 . 17 1 1 A 36 36 TRP CA C 36 58.127 60.083 -1.956 1
1 384 . 17 1 1 A 36 36 TRP HA H 36 4.929 4.371 0.558 1
1 385 . 17 1 1 A 36 36 TRP CB C 36 30.618 29.155 1.463 1
1 400 . 17 1 1 A 36 36 TRP C C 36 178.742 178.739 0.003 1
1 401 . 17 1 1 A 37 37 GLN N N 37 117.116 119.795 -2.679 1
1 402 . 17 1 1 A 37 37 GLN H H 37 7.923 8.134 -0.211 1
1 403 . 17 1 1 A 37 37 GLN CA C 37 58.501 58.813 -0.312 1
1 404 . 17 1 1 A 37 37 GLN HA H 37 3.950 3.919 0.031 1
1 405 . 17 1 1 A 37 37 GLN CB C 37 28.719 28.378 0.341 1
1 414 . 17 1 1 A 37 37 GLN C C 37 177.079 178.231 -1.152 1
1 415 . 17 1 1 A 38 38 LYS N N 38 119.256 117.501 1.755 1
1 416 . 17 1 1 A 38 38 LYS H H 38 7.543 7.379 0.164 1
1 417 . 17 1 1 A 38 38 LYS CA C 38 59.855 58.983 0.872 1
1 418 . 17 1 1 A 38 38 LYS HA H 38 3.875 3.927 -0.052 1
1 419 . 17 1 1 A 38 38 LYS CB C 38 31.717 31.840 -0.123 1
1 431 . 17 1 1 A 38 38 LYS C C 38 179.773 178.937 0.836 1
1 432 . 17 1 1 A 39 39 ILE N N 39 117.818 120.624 -2.806 1
1 433 . 17 1 1 A 39 39 ILE H H 39 7.614 7.588 0.026 1
1 434 . 17 1 1 A 39 39 ILE CA C 39 66.296 65.769 0.527 1
1 435 . 17 1 1 A 39 39 ILE HA H 39 3.534 3.471 0.063 1
1 436 . 17 1 1 A 39 39 ILE CB C 39 38.526 38.742 -0.216 1
1 449 . 17 1 1 A 39 39 ILE C C 39 177.376 177.915 -0.539 1
1 450 . 17 1 1 A 40 40 ALA N N 40 122.394 122.317 0.077 1
1 451 . 17 1 1 A 40 40 ALA H H 40 8.680 8.713 -0.033 1
1 452 . 17 1 1 A 40 40 ALA CA C 40 56.117 55.723 0.394 1
1 453 . 17 1 1 A 40 40 ALA HA H 40 3.732 4.022 -0.290 1
1 454 . 17 1 1 A 40 40 ALA CB C 40 17.581 18.409 -0.828 1
1 458 . 17 1 1 A 40 40 ALA C C 40 180.101 179.101 1.000 1
1 459 . 17 1 1 A 41 41 ASP N N 41 117.487 118.031 -0.544 1
1 460 . 17 1 1 A 41 41 ASP H H 41 8.516 8.097 0.419 1
1 461 . 17 1 1 A 41 41 ASP CA C 41 57.069 57.810 -0.741 1
1 462 . 17 1 1 A 41 41 ASP HA H 41 4.425 4.325 0.100 1
1 463 . 17 1 1 A 41 41 ASP CB C 41 40.176 41.833 -1.657 1
1 466 . 17 1 1 A 41 41 ASP C C 41 178.731 178.629 0.102 1
1 467 . 17 1 1 A 42 42 GLU N N 42 118.631 118.604 0.027 1
1 468 . 17 1 1 A 42 42 GLU H H 42 7.391 7.999 -0.608 1
1 469 . 17 1 1 A 42 42 GLU CA C 42 59.678 59.405 0.273 1
1 470 . 17 1 1 A 42 42 GLU HA H 42 4.246 4.117 0.129 1
1 471 . 17 1 1 A 42 42 GLU CB C 42 29.612 29.492 0.120 1
1 477 . 17 1 1 A 42 42 GLU C C 42 178.559 179.370 -0.811 1
1 478 . 17 1 1 A 43 43 LEU N N 43 120.834 119.574 1.260 1
1 479 . 17 1 1 A 43 43 LEU H H 43 8.247 7.753 0.494 1
1 480 . 17 1 1 A 43 43 LEU CA C 43 57.274 56.793 0.481 1
1 481 . 17 1 1 A 43 43 LEU HA H 43 4.171 4.023 0.148 1
1 482 . 17 1 1 A 43 43 LEU CB C 43 42.237 42.536 -0.299 1
1 495 . 17 1 1 A 43 43 LEU C C 43 179.282 177.216 2.066 1
1 496 . 17 1 1 A 44 44 GLY N N 44 106.089 107.886 -1.797 1
1 497 . 17 1 1 A 44 44 GLY H H 44 8.218 8.131 0.087 1
1 498 . 17 1 1 A 44 44 GLY CA C 44 46.203 45.612 0.591 1
1 499 . 17 1 1 A 44 44 GLY HA2 H 44 3.738 3.966 -0.228 1
1 500 . 17 1 1 A 44 44 GLY HA3 H 44 4.181 3.967 0.214 1
1 501 . 17 1 1 A 44 44 GLY C C 44 174.363 175.813 -1.450 1
1 502 . 17 1 1 A 45 45 ASN N N 45 117.303 117.932 -0.629 1
1 503 . 17 1 1 A 45 45 ASN H H 45 8.060 8.552 -0.492 1
1 504 . 17 1 1 A 45 45 ASN CA C 45 52.872 55.431 -2.559 1
1 505 . 17 1 1 A 45 45 ASN HA H 45 4.637 4.557 0.080 1
1 506 . 17 1 1 A 45 45 ASN CB C 45 38.017 38.649 -0.632 1
1 512 . 17 1 1 A 45 45 ASN C C 45 174.403 176.309 -1.906 1
1 513 . 17 1 1 A 46 46 ARG N N 46 115.501 116.705 -1.204 1
1 514 . 17 1 1 A 46 46 ARG H H 46 7.091 7.640 -0.549 1
1 515 . 17 1 1 A 46 46 ARG CA C 46 52.521 55.062 -2.541 1
1 516 . 17 1 1 A 46 46 ARG HA H 46 4.948 4.419 0.529 1
1 517 . 17 1 1 A 46 46 ARG CB C 46 35.298 31.209 4.089 1
1 528 . 17 1 1 A 46 46 ARG C C 46 175.373 174.772 0.601 1
1 529 . 17 1 1 A 47 47 THR N N 47 110.043 115.311 -5.268 1
1 530 . 17 1 1 A 47 47 THR H H 47 8.411 8.281 0.130 1
1 531 . 17 1 1 A 47 47 THR CA C 47 59.643 59.554 0.089 1
1 532 . 17 1 1 A 47 47 THR HA H 47 4.602 4.761 -0.159 1
1 533 . 17 1 1 A 47 47 THR CB C 47 71.307 71.252 0.055 1
1 539 . 17 1 1 A 47 47 THR C C 47 175.891 175.690 0.201 1
1 540 . 17 1 1 A 48 48 ALA N N 48 123.448 128.726 -5.278 1
1 541 . 17 1 1 A 48 48 ALA H H 48 9.205 9.166 0.039 1
1 542 . 17 1 1 A 48 48 ALA CA C 48 55.820 55.699 0.121 1
1 543 . 17 1 1 A 48 48 ALA HA H 48 3.869 4.059 -0.190 1
1 544 . 17 1 1 A 48 48 ALA CB C 48 17.997 18.378 -0.381 1
1 548 . 17 1 1 A 48 48 ALA C C 48 179.731 179.754 -0.023 1
1 549 . 17 1 1 A 49 49 LYS N N 49 117.235 117.289 -0.054 1
1 550 . 17 1 1 A 49 49 LYS H H 49 8.127 8.280 -0.153 1
1 551 . 17 1 1 A 49 49 LYS CA C 49 59.436 59.567 -0.131 1
1 552 . 17 1 1 A 49 49 LYS HA H 49 4.008 3.925 0.083 1
1 553 . 17 1 1 A 49 49 LYS CB C 49 32.661 32.151 0.510 1
1 565 . 17 1 1 A 49 49 LYS C C 49 179.567 179.152 0.415 1
1 566 . 17 1 1 A 50 50 GLN N N 50 119.324 119.004 0.320 1
1 567 . 17 1 1 A 50 50 GLN H H 50 7.753 8.294 -0.541 1
1 568 . 17 1 1 A 50 50 GLN CA C 50 58.938 59.272 -0.334 1
1 569 . 17 1 1 A 50 50 GLN HA H 50 4.191 4.041 0.150 1
1 570 . 17 1 1 A 50 50 GLN CB C 50 29.389 28.417 0.972 1
1 579 . 17 1 1 A 50 50 GLN C C 50 180.097 178.459 1.638 1
1 580 . 17 1 1 A 51 51 VAL N N 51 120.881 120.562 0.319 1
1 581 . 17 1 1 A 51 51 VAL H H 51 8.397 8.030 0.367 1
1 582 . 17 1 1 A 51 51 VAL CA C 51 67.510 66.175 1.335 1
1 583 . 17 1 1 A 51 51 VAL HA H 51 3.491 3.645 -0.154 1
1 584 . 17 1 1 A 51 51 VAL CB C 51 31.871 31.588 0.283 1
1 594 . 17 1 1 A 51 51 VAL C C 51 176.150 177.703 -1.553 1
1 595 . 17 1 1 A 52 52 ALA N N 52 120.695 122.007 -1.312 1
1 596 . 17 1 1 A 52 52 ALA H H 52 8.057 8.554 -0.497 1
1 597 . 17 1 1 A 52 52 ALA CA C 52 55.307 54.798 0.509 1
1 598 . 17 1 1 A 52 52 ALA HA H 52 2.379 2.386 -0.007 1
1 599 . 17 1 1 A 52 52 ALA CB C 52 17.410 18.174 -0.764 1
1 603 . 17 1 1 A 52 52 ALA C C 52 180.088 179.522 0.566 1
1 604 . 17 1 1 A 53 53 SER N N 53 110.953 113.868 -2.915 1
1 605 . 17 1 1 A 53 53 SER H H 53 7.653 7.820 -0.167 1
1 606 . 17 1 1 A 53 53 SER CA C 53 61.291 61.195 0.096 1
1 607 . 17 1 1 A 53 53 SER HA H 53 4.049 4.168 -0.119 1
1 608 . 17 1 1 A 53 53 SER CB C 53 63.032 62.824 0.208 1
1 610 . 17 1 1 A 53 53 SER C C 53 180.076 176.035 4.041 1
1 611 . 17 1 1 A 54 54 GLN N N 54 123.306 121.096 2.210 1
1 612 . 17 1 1 A 54 54 GLN H H 54 7.615 7.724 -0.109 1
1 613 . 17 1 1 A 54 54 GLN CA C 54 57.843 58.190 -0.347 1
1 614 . 17 1 1 A 54 54 GLN HA H 54 3.844 3.648 0.196 1
1 615 . 17 1 1 A 54 54 GLN CB C 54 27.422 27.933 -0.511 1
1 624 . 17 1 1 A 55 55 VAL N N 55 119.150 119.383 -0.233 1
1 625 . 17 1 1 A 55 55 VAL H H 55 8.266 8.018 0.248 1
1 626 . 17 1 1 A 55 55 VAL CA C 55 66.491 66.384 0.107 1
1 627 . 17 1 1 A 55 55 VAL HA H 55 3.417 3.397 0.020 1
1 628 . 17 1 1 A 55 55 VAL CB C 55 31.306 31.077 0.229 1
1 638 . 17 1 1 A 55 55 VAL C C 55 177.640 177.891 -0.251 1
1 639 . 17 1 1 A 56 56 GLN N N 56 116.992 118.829 -1.837 1
1 640 . 17 1 1 A 56 56 GLN H H 56 7.578 7.484 0.094 1
1 641 . 17 1 1 A 56 56 GLN CA C 56 58.616 59.103 -0.487 1
1 642 . 17 1 1 A 56 56 GLN HA H 56 3.964 3.905 0.059 1
1 643 . 17 1 1 A 56 56 GLN CB C 56 28.115 28.225 -0.110 1
1 652 . 17 1 1 A 56 56 GLN C C 56 177.976 178.339 -0.363 1
1 653 . 17 1 1 A 57 57 LYS N N 57 117.073 117.246 -0.173 1
1 654 . 17 1 1 A 57 57 LYS H H 57 7.378 7.863 -0.485 1
1 655 . 17 1 1 A 57 57 LYS CA C 57 58.958 57.741 1.217 1
1 656 . 17 1 1 A 57 57 LYS HA H 57 3.897 4.268 -0.371 1
1 657 . 17 1 1 A 57 57 LYS CB C 57 32.837 31.917 0.920 1
1 669 . 17 1 1 A 57 57 LYS C C 57 178.237 177.059 1.178 1
1 670 . 17 1 1 A 58 58 TYR N N 58 117.398 117.673 -0.275 1
1 671 . 17 1 1 A 58 58 TYR H H 58 7.722 8.007 -0.285 1
1 672 . 17 1 1 A 58 58 TYR CA C 58 59.231 59.630 -0.399 1
1 673 . 17 1 1 A 58 58 TYR HA H 58 4.422 4.520 -0.098 1
1 674 . 17 1 1 A 58 58 TYR CB C 58 38.850 40.127 -1.277 1
1 685 . 17 1 1 A 58 58 TYR C C 58 176.329 176.846 -0.517 1
1 686 . 17 1 1 A 59 59 PHE N N 59 118.720 115.825 2.895 1
1 687 . 17 1 1 A 59 59 PHE H H 59 8.197 8.024 0.173 1
1 688 . 17 1 1 A 59 59 PHE CA C 59 59.396 58.991 0.405 1
1 689 . 17 1 1 A 59 59 PHE HA H 59 4.487 4.626 -0.139 1
1 690 . 17 1 1 A 59 59 PHE CB C 59 39.309 40.391 -1.082 1
1 703 . 17 1 1 A 59 59 PHE C C 59 177.355 177.241 0.114 1
1 704 . 17 1 1 A 60 60 ILE N N 60 120.989 120.057 0.932 1
1 705 . 17 1 1 A 60 60 ILE H H 60 7.940 8.268 -0.328 1
1 706 . 17 1 1 A 60 60 ILE CA C 60 63.239 64.429 -1.190 1
1 707 . 17 1 1 A 60 60 ILE HA H 60 3.937 3.780 0.157 1
1 708 . 17 1 1 A 60 60 ILE CB C 60 38.017 36.792 1.225 1
1 721 . 17 1 1 A 60 60 ILE C C 60 177.197 178.281 -1.084 1
1 722 . 17 1 1 A 61 61 LYS N N 61 122.558 123.015 -0.457 1
1 723 . 17 1 1 A 61 61 LYS H H 61 8.056 8.080 -0.024 1
1 724 . 17 1 1 A 61 61 LYS CA C 61 57.840 58.734 -0.894 1
1 725 . 17 1 1 A 61 61 LYS HA H 61 4.158 4.070 0.088 1
1 726 . 17 1 1 A 61 61 LYS CB C 61 32.480 32.122 0.358 1
1 738 . 17 1 1 A 61 61 LYS C C 61 177.737 178.282 -0.545 1
1 739 . 17 1 1 A 62 62 LEU N N 62 120.763 114.289 6.474 1
1 740 . 17 1 1 A 62 62 LEU H H 62 8.145 7.820 0.325 1
1 741 . 17 1 1 A 62 62 LEU CA C 62 55.989 54.191 1.798 1
1 742 . 17 1 1 A 62 62 LEU HA H 62 4.302 4.324 -0.022 1
1 743 . 17 1 1 A 62 62 LEU CB C 62 42.379 41.163 1.216 1
1 756 . 17 1 1 A 62 62 LEU C C 62 178.178 176.236 1.942 1
1 757 . 17 1 1 A 63 63 THR N N 63 113.377 115.657 -2.280 1
1 758 . 17 1 1 A 63 63 THR H H 63 8.043 7.577 0.466 1
1 759 . 17 1 1 A 63 63 THR CA C 63 63.007 60.892 2.115 1
1 760 . 17 1 1 A 63 63 THR HA H 63 4.285 4.375 -0.090 1
1 761 . 17 1 1 A 63 63 THR CB C 63 70.153 70.874 -0.721 1
1 767 . 17 1 1 A 63 63 THR C C 63 175.775 174.138 1.637 1
1 768 . 17 1 1 A 64 64 LYS N N 64 122.961 124.292 -1.331 1
1 769 . 17 1 1 A 64 64 LYS H H 64 8.333 8.290 0.043 1
1 770 . 17 1 1 A 64 64 LYS CA C 64 57.298 57.258 0.040 1
1 771 . 17 1 1 A 64 64 LYS HA H 64 4.218 4.252 -0.034 1
1 772 . 17 1 1 A 64 64 LYS CB C 64 32.578 32.809 -0.231 1
1 784 . 17 1 1 A 64 64 LYS C C 64 176.684 176.938 -0.254 1
1 785 . 17 1 1 A 65 65 ALA N N 65 123.107 125.297 -2.190 1
1 786 . 17 1 1 A 65 65 ALA H H 65 8.024 8.384 -0.360 1
1 787 . 17 1 1 A 65 65 ALA CA C 65 52.597 53.616 -1.019 1
1 788 . 17 1 1 A 65 65 ALA HA H 65 4.323 3.963 0.360 1
1 789 . 17 1 1 A 65 65 ALA CB C 65 19.229 18.960 0.269 1
1 793 . 17 1 1 A 65 65 ALA C C 65 178.017 178.254 -0.237 1
1 794 . 17 1 1 A 66 66 GLY N N 66 107.464 110.315 -2.851 1
1 795 . 17 1 1 A 66 66 GLY H H 66 8.165 8.875 -0.710 1
1 796 . 17 1 1 A 66 66 GLY CA C 66 45.223 45.708 -0.485 1
1 797 . 17 1 1 A 66 66 GLY HA2 H 66 3.955 3.971 -0.016 1
1 798 . 17 1 1 A 66 66 GLY HA3 H 66 3.888 3.972 -0.084 1
1 799 . 17 1 1 A 66 66 GLY C C 66 173.809 174.102 -0.293 1
1 800 . 17 1 1 A 67 67 ILE N N 67 121.784 120.607 1.177 1
1 801 . 17 1 1 A 67 67 ILE H H 67 7.825 7.825 0.000 1
1 802 . 17 1 1 A 67 67 ILE CA C 67 58.397 57.700 0.697 1
1 803 . 17 1 1 A 67 67 ILE HA H 67 4.457 4.492 -0.035 1
1 804 . 17 1 1 A 67 67 ILE CB C 67 38.622 40.658 -2.036 1
1 817 . 17 1 1 A 67 67 ILE C C 67 174.638 174.302 0.336 1
1 818 . 17 1 1 A 68 68 PRO CA C 68 63.157 62.765 0.392 1
1 819 . 17 1 1 A 68 68 PRO HA H 68 4.499 4.745 -0.246 1
1 820 . 17 1 1 A 68 68 PRO CB C 68 31.946 33.107 -1.161 1
1 829 . 17 1 1 A 68 68 PRO C C 68 176.866 176.295 0.571 1
1 830 . 17 1 1 A 69 69 VAL N N 69 120.953 119.861 1.092 1
1 831 . 17 1 1 A 69 69 VAL H H 69 8.269 8.528 -0.259 1
1 832 . 17 1 1 A 69 69 VAL CA C 69 62.460 63.456 -0.996 1
1 833 . 17 1 1 A 69 69 VAL HA H 69 4.112 4.104 0.008 1
1 834 . 17 1 1 A 69 69 VAL CB C 69 32.882 32.331 0.551 1
1 844 . 17 1 1 A 69 69 VAL C C 69 176.217 176.097 0.120 1
1 845 . 17 1 1 A 70 70 SER N N 70 118.672 117.165 1.507 1
1 846 . 17 1 1 A 70 70 SER H H 70 8.321 8.170 0.151 1
1 847 . 17 1 1 A 70 70 SER CA C 70 58.127 59.167 -1.040 1
1 848 . 17 1 1 A 70 70 SER HA H 70 4.536 4.091 0.445 1
1 849 . 17 1 1 A 70 70 SER CB C 70 64.051 61.842 2.209 1
1 852 . 17 1 1 A 70 70 SER C C 70 174.419 173.269 1.150 1
1 853 . 17 1 1 A 72 72 PRO CA C 72 63.221 62.720 0.501 1
1 854 . 17 1 1 A 72 72 PRO HA H 72 4.480 4.600 -0.120 1
1 855 . 17 1 1 A 72 72 PRO CB C 72 32.287 32.609 -0.322 1
1 864 . 17 1 1 A 73 73 SER N N 73 116.355 117.805 -1.450 1
1 865 . 17 1 1 A 73 73 SER H H 73 8.521 8.496 0.025 1
1 866 . 17 1 1 A 73 73 SER CA C 73 58.407 56.227 2.180 1
1 867 . 17 1 1 A 73 73 SER HA H 73 4.580 4.894 -0.314 1
1 868 . 17 1 1 A 73 73 SER CB C 73 63.942 65.685 -1.743 1
1 1 . 18 1 1 A 9 9 GLN CA C 9 56.082 56.605 -0.523 1
1 2 . 18 1 1 A 9 9 GLN HA H 9 4.326 3.769 0.557 1
1 3 . 18 1 1 A 9 9 GLN CB C 9 29.035 26.684 2.351 1
1 9 . 18 1 1 A 9 9 GLN C C 9 176.519 175.144 1.375 1
1 10 . 18 1 1 A 10 10 LEU N N 10 124.239 119.396 4.843 1
1 11 . 18 1 1 A 10 10 LEU H H 10 8.287 7.988 0.299 1
1 12 . 18 1 1 A 10 10 LEU CA C 10 55.553 55.136 0.417 1
1 13 . 18 1 1 A 10 10 LEU HA H 10 4.390 4.419 -0.029 1
1 14 . 18 1 1 A 10 10 LEU CB C 10 42.168 42.476 -0.308 1
1 27 . 18 1 1 A 10 10 LEU C C 10 177.357 177.313 0.044 1
1 28 . 18 1 1 A 11 11 TRP N N 11 124.940 122.228 2.712 1
1 29 . 18 1 1 A 11 11 TRP H H 11 8.879 8.655 0.224 1
1 30 . 18 1 1 A 11 11 TRP CA C 11 56.849 58.000 -1.151 1
1 31 . 18 1 1 A 11 11 TRP HA H 11 4.668 4.876 -0.208 1
1 32 . 18 1 1 A 11 11 TRP CB C 11 28.603 30.690 -2.087 1
1 47 . 18 1 1 A 11 11 TRP C C 11 177.416 176.208 1.208 1
1 48 . 18 1 1 A 12 12 THR N N 12 115.857 115.854 0.003 1
1 49 . 18 1 1 A 12 12 THR H H 12 8.760 8.249 0.511 1
1 50 . 18 1 1 A 12 12 THR CA C 12 60.885 59.485 1.400 1
1 51 . 18 1 1 A 12 12 THR HA H 12 4.509 4.982 -0.473 1
1 52 . 18 1 1 A 12 12 THR CB C 12 71.142 70.598 0.544 1
1 58 . 18 1 1 A 12 12 THR C C 12 175.828 175.165 0.663 1
1 59 . 18 1 1 A 13 13 VAL N N 13 121.033 127.386 -6.353 1
1 60 . 18 1 1 A 13 13 VAL H H 13 8.782 8.719 0.063 1
1 61 . 18 1 1 A 13 13 VAL CA C 13 66.558 65.356 1.202 1
1 62 . 18 1 1 A 13 13 VAL HA H 13 3.784 3.848 -0.064 1
1 63 . 18 1 1 A 13 13 VAL CB C 13 31.659 31.842 -0.183 1
1 73 . 18 1 1 A 13 13 VAL C C 13 178.595 177.641 0.954 1
1 74 . 18 1 1 A 14 14 GLU N N 14 119.290 122.540 -3.250 1
1 75 . 18 1 1 A 14 14 GLU H H 14 8.586 8.607 -0.021 1
1 76 . 18 1 1 A 14 14 GLU CA C 14 60.285 60.026 0.259 1
1 77 . 18 1 1 A 14 14 GLU HA H 14 4.024 3.991 0.033 1
1 78 . 18 1 1 A 14 14 GLU CB C 14 29.039 29.392 -0.353 1
1 84 . 18 1 1 A 14 14 GLU C C 14 179.736 179.470 0.266 1
1 85 . 18 1 1 A 15 15 GLU N N 15 121.533 119.651 1.882 1
1 86 . 18 1 1 A 15 15 GLU H H 15 7.934 8.403 -0.469 1
1 87 . 18 1 1 A 15 15 GLU CA C 15 59.834 59.445 0.389 1
1 88 . 18 1 1 A 15 15 GLU HA H 15 3.990 4.229 -0.239 1
1 89 . 18 1 1 A 15 15 GLU CB C 15 31.315 29.626 1.689 1
1 95 . 18 1 1 A 15 15 GLU C C 15 178.886 179.463 -0.577 1
1 96 . 18 1 1 A 16 16 GLN N N 16 119.475 119.091 0.384 1
1 97 . 18 1 1 A 16 16 GLN H H 16 8.595 8.702 -0.107 1
1 98 . 18 1 1 A 16 16 GLN CA C 16 59.369 59.286 0.083 1
1 99 . 18 1 1 A 16 16 GLN HA H 16 4.104 4.275 -0.171 1
1 100 . 18 1 1 A 16 16 GLN CB C 16 28.376 28.352 0.024 1
1 109 . 18 1 1 A 16 16 GLN C C 16 178.548 178.744 -0.196 1
1 110 . 18 1 1 A 17 17 LYS N N 17 119.404 119.049 0.355 1
1 111 . 18 1 1 A 17 17 LYS H H 17 8.241 8.198 0.043 1
1 112 . 18 1 1 A 17 17 LYS CA C 17 59.175 59.182 -0.007 1
1 113 . 18 1 1 A 17 17 LYS HA H 17 4.103 4.132 -0.029 1
1 114 . 18 1 1 A 17 17 LYS CB C 17 31.980 32.316 -0.336 1
1 126 . 18 1 1 A 17 17 LYS C C 17 179.663 178.961 0.702 1
1 127 . 18 1 1 A 18 18 LYS N N 18 120.546 119.660 0.886 1
1 128 . 18 1 1 A 18 18 LYS H H 18 7.852 7.750 0.102 1
1 129 . 18 1 1 A 18 18 LYS CA C 18 59.432 59.756 -0.324 1
1 130 . 18 1 1 A 18 18 LYS HA H 18 4.157 4.111 0.046 1
1 131 . 18 1 1 A 18 18 LYS CB C 18 32.166 32.540 -0.374 1
1 143 . 18 1 1 A 18 18 LYS C C 18 179.003 178.524 0.479 1
1 144 . 18 1 1 A 19 19 LEU N N 19 120.782 120.584 0.198 1
1 145 . 18 1 1 A 19 19 LEU H H 19 8.639 8.733 -0.094 1
1 146 . 18 1 1 A 19 19 LEU CA C 19 58.729 58.726 0.003 1
1 147 . 18 1 1 A 19 19 LEU HA H 19 4.042 4.143 -0.101 1
1 148 . 18 1 1 A 19 19 LEU CB C 19 41.465 41.780 -0.315 1
1 161 . 18 1 1 A 19 19 LEU C C 19 177.410 178.418 -1.008 1
1 162 . 18 1 1 A 20 20 GLU N N 20 116.982 117.841 -0.859 1
1 163 . 18 1 1 A 20 20 GLU H H 20 7.981 8.056 -0.075 1
1 164 . 18 1 1 A 20 20 GLU CA C 20 60.285 59.925 0.360 1
1 165 . 18 1 1 A 20 20 GLU HA H 20 3.647 4.129 -0.482 1
1 166 . 18 1 1 A 20 20 GLU CB C 20 29.612 29.379 0.233 1
1 172 . 18 1 1 A 20 20 GLU C C 20 179.066 179.565 -0.499 1
1 173 . 18 1 1 A 21 21 GLN N N 21 115.877 118.958 -3.081 1
1 174 . 18 1 1 A 21 21 GLN H H 21 7.518 7.756 -0.238 1
1 175 . 18 1 1 A 21 21 GLN CA C 21 58.409 58.874 -0.465 1
1 176 . 18 1 1 A 21 21 GLN HA H 21 4.112 4.110 0.002 1
1 177 . 18 1 1 A 21 21 GLN CB C 21 28.405 28.466 -0.061 1
1 186 . 18 1 1 A 21 21 GLN C C 21 180.271 179.161 1.110 1
1 187 . 18 1 1 A 22 22 LEU N N 22 123.461 120.978 2.483 1
1 188 . 18 1 1 A 22 22 LEU H H 22 8.775 8.084 0.691 1
1 189 . 18 1 1 A 22 22 LEU CA C 22 57.782 57.995 -0.213 1
1 190 . 18 1 1 A 22 22 LEU HA H 22 4.243 4.119 0.124 1
1 191 . 18 1 1 A 22 22 LEU CB C 22 42.687 42.202 0.485 1
1 204 . 18 1 1 A 22 22 LEU C C 22 178.112 179.024 -0.912 1
1 205 . 18 1 1 A 23 23 LEU N N 23 119.576 117.950 1.626 1
1 206 . 18 1 1 A 23 23 LEU H H 23 8.260 8.707 -0.447 1
1 207 . 18 1 1 A 23 23 LEU CA C 23 57.281 58.369 -1.088 1
1 208 . 18 1 1 A 23 23 LEU HA H 23 4.174 4.113 0.061 1
1 209 . 18 1 1 A 23 23 LEU CB C 23 42.175 41.883 0.292 1
1 222 . 18 1 1 A 23 23 LEU C C 23 177.927 179.404 -1.477 1
1 223 . 18 1 1 A 24 24 ILE N N 24 116.614 119.525 -2.911 1
1 224 . 18 1 1 A 24 24 ILE H H 24 6.949 7.791 -0.842 1
1 225 . 18 1 1 A 24 24 ILE CA C 24 62.755 65.051 -2.296 1
1 226 . 18 1 1 A 24 24 ILE HA H 24 3.787 3.704 0.083 1
1 227 . 18 1 1 A 24 24 ILE CB C 24 38.208 37.515 0.693 1
1 240 . 18 1 1 A 24 24 ILE C C 24 177.066 177.946 -0.880 1
1 241 . 18 1 1 A 25 25 LYS N N 25 121.060 122.756 -1.696 1
1 242 . 18 1 1 A 25 25 LYS H H 25 7.421 8.217 -0.796 1
1 243 . 18 1 1 A 25 25 LYS CA C 25 59.281 59.173 0.108 1
1 244 . 18 1 1 A 25 25 LYS HA H 25 3.726 4.015 -0.289 1
1 245 . 18 1 1 A 25 25 LYS CB C 25 34.011 31.868 2.143 1
1 257 . 18 1 1 A 25 25 LYS C C 25 175.900 175.984 -0.084 1
1 258 . 18 1 1 A 26 26 TYR N N 26 117.015 116.853 0.162 1
1 259 . 18 1 1 A 26 26 TYR H H 26 8.124 8.626 -0.502 1
1 260 . 18 1 1 A 26 26 TYR CA C 26 54.995 55.274 -0.279 1
1 261 . 18 1 1 A 26 26 TYR HA H 26 4.988 4.926 0.062 1
1 262 . 18 1 1 A 26 26 TYR CB C 26 37.055 38.310 -1.255 1
1 273 . 18 1 1 A 27 27 PRO CA C 27 62.102 61.651 0.451 1
1 274 . 18 1 1 A 27 27 PRO HA H 27 4.833 4.710 0.123 1
1 275 . 18 1 1 A 27 27 PRO CB C 27 30.960 31.700 -0.740 1
1 284 . 18 1 1 A 28 28 PRO CA C 28 64.218 62.793 1.425 1
1 285 . 18 1 1 A 28 28 PRO HA H 28 4.127 4.540 -0.413 1
1 286 . 18 1 1 A 28 28 PRO CB C 28 31.726 31.952 -0.226 1
1 295 . 18 1 1 A 28 28 PRO C C 28 175.552 176.399 -0.847 1
1 296 . 18 1 1 A 29 29 GLU N N 29 120.378 119.183 1.195 1
1 297 . 18 1 1 A 29 29 GLU H H 29 8.473 8.155 0.318 1
1 298 . 18 1 1 A 29 29 GLU CA C 29 54.425 54.926 -0.501 1
1 299 . 18 1 1 A 29 29 GLU HA H 29 4.734 4.687 0.047 1
1 300 . 18 1 1 A 29 29 GLU CB C 29 33.430 32.320 1.110 1
1 306 . 18 1 1 A 29 29 GLU C C 29 175.244 177.754 -2.510 1
1 307 . 18 1 1 A 30 30 GLU N N 30 120.351 120.006 0.345 1
1 308 . 18 1 1 A 30 30 GLU H H 30 8.502 8.787 -0.285 1
1 309 . 18 1 1 A 30 30 GLU CA C 30 60.066 59.285 0.781 1
1 310 . 18 1 1 A 30 30 GLU HA H 30 3.898 4.077 -0.179 1
1 311 . 18 1 1 A 30 30 GLU CB C 30 30.038 29.064 0.974 1
1 317 . 18 1 1 A 30 30 GLU C C 30 177.211 177.041 0.170 1
1 318 . 18 1 1 A 31 31 VAL N N 31 119.224 118.926 0.298 1
1 319 . 18 1 1 A 31 31 VAL H H 31 8.363 7.880 0.483 1
1 320 . 18 1 1 A 31 31 VAL CA C 31 61.327 62.517 -1.190 1
1 321 . 18 1 1 A 31 31 VAL HA H 31 4.154 4.118 0.036 1
1 322 . 18 1 1 A 31 31 VAL CB C 31 30.937 32.320 -1.383 1
1 332 . 18 1 1 A 31 31 VAL C C 31 176.298 175.571 0.727 1
1 333 . 18 1 1 A 32 32 GLU N N 32 128.219 128.598 -0.379 1
1 334 . 18 1 1 A 32 32 GLU H H 32 8.453 9.057 -0.604 1
1 335 . 18 1 1 A 32 32 GLU CA C 32 59.610 57.979 1.631 1
1 336 . 18 1 1 A 32 32 GLU HA H 32 3.729 3.848 -0.119 1
1 337 . 18 1 1 A 32 32 GLU CB C 32 29.649 29.749 -0.100 1
1 342 . 18 1 1 A 32 32 GLU C C 32 177.405 178.060 -0.655 1
1 343 . 18 1 1 A 33 33 SER N N 33 111.772 115.011 -3.239 1
1 344 . 18 1 1 A 33 33 SER H H 33 8.368 7.810 0.558 1
1 345 . 18 1 1 A 33 33 SER CA C 33 61.378 61.701 -0.323 1
1 346 . 18 1 1 A 33 33 SER HA H 33 4.087 4.234 -0.147 1
1 347 . 18 1 1 A 33 33 SER CB C 33 61.842 63.178 -1.336 1
1 350 . 18 1 1 A 33 33 SER C C 33 177.086 176.805 0.281 1
1 351 . 18 1 1 A 34 34 ARG N N 34 121.109 119.458 1.651 1
1 352 . 18 1 1 A 34 34 ARG H H 34 7.445 7.996 -0.551 1
1 353 . 18 1 1 A 34 34 ARG CA C 34 58.682 58.883 -0.201 1
1 354 . 18 1 1 A 34 34 ARG HA H 34 4.067 4.028 0.039 1
1 355 . 18 1 1 A 34 34 ARG CB C 34 30.095 30.076 0.019 1
1 364 . 18 1 1 A 34 34 ARG C C 34 178.697 178.296 0.401 1
1 365 . 18 1 1 A 35 35 ARG N N 35 122.297 118.970 3.327 1
1 366 . 18 1 1 A 35 35 ARG H H 35 6.826 7.642 -0.816 1
1 367 . 18 1 1 A 35 35 ARG CA C 35 59.479 58.683 0.796 1
1 368 . 18 1 1 A 35 35 ARG HA H 35 3.718 3.846 -0.128 1
1 369 . 18 1 1 A 35 35 ARG CB C 35 30.578 29.098 1.480 1
1 380 . 18 1 1 A 35 35 ARG C C 35 178.318 178.590 -0.272 1
1 381 . 18 1 1 A 36 36 TRP N N 36 115.557 119.954 -4.397 1
1 382 . 18 1 1 A 36 36 TRP H H 36 7.702 7.307 0.395 1
1 383 . 18 1 1 A 36 36 TRP CA C 36 58.127 59.806 -1.679 1
1 384 . 18 1 1 A 36 36 TRP HA H 36 4.929 4.392 0.537 1
1 385 . 18 1 1 A 36 36 TRP CB C 36 30.618 29.563 1.055 1
1 400 . 18 1 1 A 36 36 TRP C C 36 178.742 178.844 -0.102 1
1 401 . 18 1 1 A 37 37 GLN N N 37 117.116 120.168 -3.052 1
1 402 . 18 1 1 A 37 37 GLN H H 37 7.923 8.163 -0.240 1
1 403 . 18 1 1 A 37 37 GLN CA C 37 58.501 58.940 -0.439 1
1 404 . 18 1 1 A 37 37 GLN HA H 37 3.950 3.949 0.001 1
1 405 . 18 1 1 A 37 37 GLN CB C 37 28.719 28.112 0.607 1
1 414 . 18 1 1 A 37 37 GLN C C 37 177.079 178.426 -1.347 1
1 415 . 18 1 1 A 38 38 LYS N N 38 119.256 118.815 0.441 1
1 416 . 18 1 1 A 38 38 LYS H H 38 7.543 7.412 0.131 1
1 417 . 18 1 1 A 38 38 LYS CA C 38 59.855 58.951 0.904 1
1 418 . 18 1 1 A 38 38 LYS HA H 38 3.875 3.922 -0.047 1
1 419 . 18 1 1 A 38 38 LYS CB C 38 31.717 31.885 -0.168 1
1 431 . 18 1 1 A 38 38 LYS C C 38 179.773 179.117 0.656 1
1 432 . 18 1 1 A 39 39 ILE N N 39 117.818 119.951 -2.133 1
1 433 . 18 1 1 A 39 39 ILE H H 39 7.614 7.445 0.169 1
1 434 . 18 1 1 A 39 39 ILE CA C 39 66.296 65.300 0.996 1
1 435 . 18 1 1 A 39 39 ILE HA H 39 3.534 3.641 -0.107 1
1 436 . 18 1 1 A 39 39 ILE CB C 39 38.526 37.926 0.600 1
1 449 . 18 1 1 A 39 39 ILE C C 39 177.376 178.490 -1.114 1
1 450 . 18 1 1 A 40 40 ALA N N 40 122.394 122.700 -0.306 1
1 451 . 18 1 1 A 40 40 ALA H H 40 8.680 8.394 0.286 1
1 452 . 18 1 1 A 40 40 ALA CA C 40 56.117 55.592 0.525 1
1 453 . 18 1 1 A 40 40 ALA HA H 40 3.732 4.134 -0.402 1
1 454 . 18 1 1 A 40 40 ALA CB C 40 17.581 18.869 -1.288 1
1 458 . 18 1 1 A 40 40 ALA C C 40 180.101 180.153 -0.052 1
1 459 . 18 1 1 A 41 41 ASP N N 41 117.487 118.621 -1.134 1
1 460 . 18 1 1 A 41 41 ASP H H 41 8.516 8.204 0.312 1
1 461 . 18 1 1 A 41 41 ASP CA C 41 57.069 56.904 0.165 1
1 462 . 18 1 1 A 41 41 ASP HA H 41 4.425 4.269 0.156 1
1 463 . 18 1 1 A 41 41 ASP CB C 41 40.176 40.498 -0.322 1
1 466 . 18 1 1 A 41 41 ASP C C 41 178.731 179.248 -0.517 1
1 467 . 18 1 1 A 42 42 GLU N N 42 118.631 121.132 -2.501 1
1 468 . 18 1 1 A 42 42 GLU H H 42 7.391 8.014 -0.623 1
1 469 . 18 1 1 A 42 42 GLU CA C 42 59.678 59.120 0.558 1
1 470 . 18 1 1 A 42 42 GLU HA H 42 4.246 4.133 0.113 1
1 471 . 18 1 1 A 42 42 GLU CB C 42 29.612 30.385 -0.773 1
1 477 . 18 1 1 A 42 42 GLU C C 42 178.559 179.605 -1.046 1
1 478 . 18 1 1 A 43 43 LEU N N 43 120.834 118.797 2.037 1
1 479 . 18 1 1 A 43 43 LEU H H 43 8.247 7.893 0.354 1
1 480 . 18 1 1 A 43 43 LEU CA C 43 57.274 56.844 0.430 1
1 481 . 18 1 1 A 43 43 LEU HA H 43 4.171 4.048 0.123 1
1 482 . 18 1 1 A 43 43 LEU CB C 43 42.237 42.655 -0.418 1
1 495 . 18 1 1 A 43 43 LEU C C 43 179.282 176.769 2.513 1
1 496 . 18 1 1 A 44 44 GLY N N 44 106.089 106.778 -0.689 1
1 497 . 18 1 1 A 44 44 GLY H H 44 8.218 7.696 0.522 1
1 498 . 18 1 1 A 44 44 GLY CA C 44 46.203 45.352 0.851 1
1 499 . 18 1 1 A 44 44 GLY HA2 H 44 3.738 3.955 -0.217 1
1 500 . 18 1 1 A 44 44 GLY HA3 H 44 4.181 3.956 0.225 1
1 501 . 18 1 1 A 44 44 GLY C C 44 174.363 175.092 -0.729 1
1 502 . 18 1 1 A 45 45 ASN N N 45 117.303 116.932 0.371 1
1 503 . 18 1 1 A 45 45 ASN H H 45 8.060 8.108 -0.048 1
1 504 . 18 1 1 A 45 45 ASN CA C 45 52.872 54.017 -1.145 1
1 505 . 18 1 1 A 45 45 ASN HA H 45 4.637 4.850 -0.213 1
1 506 . 18 1 1 A 45 45 ASN CB C 45 38.017 40.279 -2.262 1
1 512 . 18 1 1 A 45 45 ASN C C 45 174.403 175.432 -1.029 1
1 513 . 18 1 1 A 46 46 ARG N N 46 115.501 118.349 -2.848 1
1 514 . 18 1 1 A 46 46 ARG H H 46 7.091 7.792 -0.701 1
1 515 . 18 1 1 A 46 46 ARG CA C 46 52.521 56.404 -3.883 1
1 516 . 18 1 1 A 46 46 ARG HA H 46 4.948 4.298 0.650 1
1 517 . 18 1 1 A 46 46 ARG CB C 46 35.298 31.437 3.861 1
1 528 . 18 1 1 A 46 46 ARG C C 46 175.373 175.835 -0.462 1
1 529 . 18 1 1 A 47 47 THR N N 47 110.043 111.470 -1.427 1
1 530 . 18 1 1 A 47 47 THR H H 47 8.411 8.543 -0.132 1
1 531 . 18 1 1 A 47 47 THR CA C 47 59.643 59.295 0.348 1
1 532 . 18 1 1 A 47 47 THR HA H 47 4.602 4.950 -0.348 1
1 533 . 18 1 1 A 47 47 THR CB C 47 71.307 72.350 -1.043 1
1 539 . 18 1 1 A 47 47 THR C C 47 175.891 175.349 0.542 1
1 540 . 18 1 1 A 48 48 ALA N N 48 123.448 125.375 -1.927 1
1 541 . 18 1 1 A 48 48 ALA H H 48 9.205 9.099 0.106 1
1 542 . 18 1 1 A 48 48 ALA CA C 48 55.820 55.665 0.155 1
1 543 . 18 1 1 A 48 48 ALA HA H 48 3.869 4.239 -0.370 1
1 544 . 18 1 1 A 48 48 ALA CB C 48 17.997 18.398 -0.401 1
1 548 . 18 1 1 A 48 48 ALA C C 48 179.731 179.721 0.010 1
1 549 . 18 1 1 A 49 49 LYS N N 49 117.235 118.068 -0.833 1
1 550 . 18 1 1 A 49 49 LYS H H 49 8.127 8.181 -0.054 1
1 551 . 18 1 1 A 49 49 LYS CA C 49 59.436 59.768 -0.332 1
1 552 . 18 1 1 A 49 49 LYS HA H 49 4.008 3.818 0.190 1
1 553 . 18 1 1 A 49 49 LYS CB C 49 32.661 32.466 0.195 1
1 565 . 18 1 1 A 49 49 LYS C C 49 179.567 178.371 1.196 1
1 566 . 18 1 1 A 50 50 GLN N N 50 119.324 117.786 1.538 1
1 567 . 18 1 1 A 50 50 GLN H H 50 7.753 7.823 -0.070 1
1 568 . 18 1 1 A 50 50 GLN CA C 50 58.938 59.331 -0.393 1
1 569 . 18 1 1 A 50 50 GLN HA H 50 4.191 3.998 0.193 1
1 570 . 18 1 1 A 50 50 GLN CB C 50 29.389 28.338 1.051 1
1 579 . 18 1 1 A 50 50 GLN C C 50 180.097 178.511 1.586 1
1 580 . 18 1 1 A 51 51 VAL N N 51 120.881 120.685 0.196 1
1 581 . 18 1 1 A 51 51 VAL H H 51 8.397 8.172 0.225 1
1 582 . 18 1 1 A 51 51 VAL CA C 51 67.510 66.387 1.123 1
1 583 . 18 1 1 A 51 51 VAL HA H 51 3.491 3.714 -0.223 1
1 584 . 18 1 1 A 51 51 VAL CB C 51 31.871 31.466 0.405 1
1 594 . 18 1 1 A 51 51 VAL C C 51 176.150 177.636 -1.486 1
1 595 . 18 1 1 A 52 52 ALA N N 52 120.695 121.974 -1.279 1
1 596 . 18 1 1 A 52 52 ALA H H 52 8.057 7.944 0.113 1
1 597 . 18 1 1 A 52 52 ALA CA C 52 55.307 54.784 0.523 1
1 598 . 18 1 1 A 52 52 ALA HA H 52 2.379 2.774 -0.395 1
1 599 . 18 1 1 A 52 52 ALA CB C 52 17.410 18.039 -0.629 1
1 603 . 18 1 1 A 52 52 ALA C C 52 180.088 179.709 0.379 1
1 604 . 18 1 1 A 53 53 SER N N 53 110.953 112.576 -1.623 1
1 605 . 18 1 1 A 53 53 SER H H 53 7.653 7.979 -0.326 1
1 606 . 18 1 1 A 53 53 SER CA C 53 61.291 61.452 -0.161 1
1 607 . 18 1 1 A 53 53 SER HA H 53 4.049 4.040 0.009 1
1 608 . 18 1 1 A 53 53 SER CB C 53 63.032 62.528 0.504 1
1 610 . 18 1 1 A 53 53 SER C C 53 180.076 176.320 3.756 1
1 611 . 18 1 1 A 54 54 GLN N N 54 123.306 120.858 2.448 1
1 612 . 18 1 1 A 54 54 GLN H H 54 7.615 7.947 -0.332 1
1 613 . 18 1 1 A 54 54 GLN CA C 54 57.843 58.544 -0.701 1
1 614 . 18 1 1 A 54 54 GLN HA H 54 3.844 3.639 0.205 1
1 615 . 18 1 1 A 54 54 GLN CB C 54 27.422 28.243 -0.821 1
1 624 . 18 1 1 A 55 55 VAL N N 55 119.150 119.379 -0.229 1
1 625 . 18 1 1 A 55 55 VAL H H 55 8.266 8.035 0.231 1
1 626 . 18 1 1 A 55 55 VAL CA C 55 66.491 66.648 -0.157 1
1 627 . 18 1 1 A 55 55 VAL HA H 55 3.417 3.429 -0.012 1
1 628 . 18 1 1 A 55 55 VAL CB C 55 31.306 31.317 -0.011 1
1 638 . 18 1 1 A 55 55 VAL C C 55 177.640 178.013 -0.373 1
1 639 . 18 1 1 A 56 56 GLN N N 56 116.992 117.852 -0.860 1
1 640 . 18 1 1 A 56 56 GLN H H 56 7.578 7.827 -0.249 1
1 641 . 18 1 1 A 56 56 GLN CA C 56 58.616 58.824 -0.208 1
1 642 . 18 1 1 A 56 56 GLN HA H 56 3.964 4.033 -0.069 1
1 643 . 18 1 1 A 56 56 GLN CB C 56 28.115 28.346 -0.231 1
1 652 . 18 1 1 A 56 56 GLN C C 56 177.976 178.258 -0.282 1
1 653 . 18 1 1 A 57 57 LYS N N 57 117.073 118.217 -1.144 1
1 654 . 18 1 1 A 57 57 LYS H H 57 7.378 8.331 -0.953 1
1 655 . 18 1 1 A 57 57 LYS CA C 57 58.958 57.852 1.106 1
1 656 . 18 1 1 A 57 57 LYS HA H 57 3.897 4.264 -0.367 1
1 657 . 18 1 1 A 57 57 LYS CB C 57 32.837 31.905 0.932 1
1 669 . 18 1 1 A 57 57 LYS C C 57 178.237 176.861 1.376 1
1 670 . 18 1 1 A 58 58 TYR N N 58 117.398 117.599 -0.201 1
1 671 . 18 1 1 A 58 58 TYR H H 58 7.722 8.058 -0.336 1
1 672 . 18 1 1 A 58 58 TYR CA C 58 59.231 59.520 -0.289 1
1 673 . 18 1 1 A 58 58 TYR HA H 58 4.422 4.592 -0.170 1
1 674 . 18 1 1 A 58 58 TYR CB C 58 38.850 39.633 -0.783 1
1 685 . 18 1 1 A 58 58 TYR C C 58 176.329 176.528 -0.199 1
1 686 . 18 1 1 A 59 59 PHE N N 59 118.720 116.705 2.015 1
1 687 . 18 1 1 A 59 59 PHE H H 59 8.197 8.730 -0.533 1
1 688 . 18 1 1 A 59 59 PHE CA C 59 59.396 60.425 -1.029 1
1 689 . 18 1 1 A 59 59 PHE HA H 59 4.487 4.468 0.019 1
1 690 . 18 1 1 A 59 59 PHE CB C 59 39.309 40.064 -0.755 1
1 703 . 18 1 1 A 59 59 PHE C C 59 177.355 178.146 -0.791 1
1 704 . 18 1 1 A 60 60 ILE N N 60 120.989 119.742 1.247 1
1 705 . 18 1 1 A 60 60 ILE H H 60 7.940 8.094 -0.154 1
1 706 . 18 1 1 A 60 60 ILE CA C 60 63.239 64.908 -1.669 1
1 707 . 18 1 1 A 60 60 ILE HA H 60 3.937 3.761 0.176 1
1 708 . 18 1 1 A 60 60 ILE CB C 60 38.017 36.735 1.282 1
1 721 . 18 1 1 A 60 60 ILE C C 60 177.197 178.216 -1.019 1
1 722 . 18 1 1 A 61 61 LYS N N 61 122.558 120.265 2.293 1
1 723 . 18 1 1 A 61 61 LYS H H 61 8.056 8.238 -0.182 1
1 724 . 18 1 1 A 61 61 LYS CA C 61 57.840 58.872 -1.032 1
1 725 . 18 1 1 A 61 61 LYS HA H 61 4.158 4.123 0.035 1
1 726 . 18 1 1 A 61 61 LYS CB C 61 32.480 31.826 0.654 1
1 738 . 18 1 1 A 61 61 LYS C C 61 177.737 178.439 -0.702 1
1 739 . 18 1 1 A 62 62 LEU N N 62 120.763 121.120 -0.357 1
1 740 . 18 1 1 A 62 62 LEU H H 62 8.145 7.656 0.489 1
1 741 . 18 1 1 A 62 62 LEU CA C 62 55.989 57.943 -1.954 1
1 742 . 18 1 1 A 62 62 LEU HA H 62 4.302 3.962 0.340 1
1 743 . 18 1 1 A 62 62 LEU CB C 62 42.379 41.200 1.179 1
1 756 . 18 1 1 A 62 62 LEU C C 62 178.178 179.225 -1.047 1
1 757 . 18 1 1 A 63 63 THR N N 63 113.377 114.160 -0.783 1
1 758 . 18 1 1 A 63 63 THR H H 63 8.043 8.484 -0.441 1
1 759 . 18 1 1 A 63 63 THR CA C 63 63.007 65.447 -2.440 1
1 760 . 18 1 1 A 63 63 THR HA H 63 4.285 3.931 0.354 1
1 761 . 18 1 1 A 63 63 THR CB C 63 70.153 69.022 1.131 1
1 767 . 18 1 1 A 63 63 THR C C 63 175.775 174.206 1.569 1
1 768 . 18 1 1 A 64 64 LYS N N 64 122.961 119.571 3.390 1
1 769 . 18 1 1 A 64 64 LYS H H 64 8.333 7.830 0.503 1
1 770 . 18 1 1 A 64 64 LYS CA C 64 57.298 57.234 0.064 1
1 771 . 18 1 1 A 64 64 LYS HA H 64 4.218 3.841 0.377 1
1 772 . 18 1 1 A 64 64 LYS CB C 64 32.578 29.342 3.236 1
1 784 . 18 1 1 A 64 64 LYS C C 64 176.684 174.955 1.729 1
1 785 . 18 1 1 A 65 65 ALA N N 65 123.107 119.643 3.464 1
1 786 . 18 1 1 A 65 65 ALA H H 65 8.024 7.678 0.346 1
1 787 . 18 1 1 A 65 65 ALA CA C 65 52.597 51.668 0.929 1
1 788 . 18 1 1 A 65 65 ALA HA H 65 4.323 4.659 -0.336 1
1 789 . 18 1 1 A 65 65 ALA CB C 65 19.229 22.436 -3.207 1
1 793 . 18 1 1 A 65 65 ALA C C 65 178.017 177.340 0.677 1
1 794 . 18 1 1 A 66 66 GLY N N 66 107.464 109.904 -2.440 1
1 795 . 18 1 1 A 66 66 GLY H H 66 8.165 8.815 -0.650 1
1 796 . 18 1 1 A 66 66 GLY CA C 66 45.223 45.060 0.163 1
1 797 . 18 1 1 A 66 66 GLY HA2 H 66 3.955 3.976 -0.021 1
1 798 . 18 1 1 A 66 66 GLY HA3 H 66 3.888 3.976 -0.088 1
1 799 . 18 1 1 A 66 66 GLY C C 66 173.809 174.319 -0.510 1
1 800 . 18 1 1 A 67 67 ILE N N 67 121.784 122.402 -0.618 1
1 801 . 18 1 1 A 67 67 ILE H H 67 7.825 7.735 0.090 1
1 802 . 18 1 1 A 67 67 ILE CA C 67 58.397 60.213 -1.816 1
1 803 . 18 1 1 A 67 67 ILE HA H 67 4.457 4.086 0.371 1
1 804 . 18 1 1 A 67 67 ILE CB C 67 38.622 37.994 0.628 1
1 817 . 18 1 1 A 67 67 ILE C C 67 174.638 174.501 0.137 1
1 818 . 18 1 1 A 68 68 PRO CA C 68 63.157 62.701 0.456 1
1 819 . 18 1 1 A 68 68 PRO HA H 68 4.499 4.570 -0.071 1
1 820 . 18 1 1 A 68 68 PRO CB C 68 31.946 31.932 0.014 1
1 829 . 18 1 1 A 68 68 PRO C C 68 176.866 177.152 -0.286 1
1 830 . 18 1 1 A 69 69 VAL N N 69 120.953 123.983 -3.030 1
1 831 . 18 1 1 A 69 69 VAL H H 69 8.269 8.191 0.078 1
1 832 . 18 1 1 A 69 69 VAL CA C 69 62.460 63.167 -0.707 1
1 833 . 18 1 1 A 69 69 VAL HA H 69 4.112 3.979 0.133 1
1 834 . 18 1 1 A 69 69 VAL CB C 69 32.882 32.168 0.714 1
1 844 . 18 1 1 A 69 69 VAL C C 69 176.217 175.797 0.420 1
1 845 . 18 1 1 A 70 70 SER N N 70 118.672 119.583 -0.911 1
1 846 . 18 1 1 A 70 70 SER H H 70 8.321 8.870 -0.549 1
1 847 . 18 1 1 A 70 70 SER CA C 70 58.127 57.222 0.905 1
1 848 . 18 1 1 A 70 70 SER HA H 70 4.536 5.119 -0.583 1
1 849 . 18 1 1 A 70 70 SER CB C 70 64.051 66.826 -2.775 1
1 852 . 18 1 1 A 70 70 SER C C 70 174.419 173.174 1.245 1
1 853 . 18 1 1 A 72 72 PRO CA C 72 63.221 62.861 0.360 1
1 854 . 18 1 1 A 72 72 PRO HA H 72 4.480 4.442 0.038 1
1 855 . 18 1 1 A 72 72 PRO CB C 72 32.287 32.192 0.095 1
1 864 . 18 1 1 A 73 73 SER N N 73 116.355 118.069 -1.714 1
1 865 . 18 1 1 A 73 73 SER H H 73 8.521 8.443 0.078 1
1 866 . 18 1 1 A 73 73 SER CA C 73 58.407 58.917 -0.510 1
1 867 . 18 1 1 A 73 73 SER HA H 73 4.580 4.283 0.297 1
1 868 . 18 1 1 A 73 73 SER CB C 73 63.942 63.286 0.656 1
1 1 . 19 1 1 A 9 9 GLN CA C 9 56.082 56.696 -0.614 1
1 2 . 19 1 1 A 9 9 GLN HA H 9 4.326 3.730 0.596 1
1 3 . 19 1 1 A 9 9 GLN CB C 9 29.035 27.034 2.001 1
1 9 . 19 1 1 A 9 9 GLN C C 9 176.519 174.221 2.298 1
1 10 . 19 1 1 A 10 10 LEU N N 10 124.239 119.663 4.576 1
1 11 . 19 1 1 A 10 10 LEU H H 10 8.287 7.745 0.542 1
1 12 . 19 1 1 A 10 10 LEU CA C 10 55.553 53.404 2.149 1
1 13 . 19 1 1 A 10 10 LEU HA H 10 4.390 4.944 -0.554 1
1 14 . 19 1 1 A 10 10 LEU CB C 10 42.168 44.712 -2.544 1
1 27 . 19 1 1 A 10 10 LEU C C 10 177.357 176.185 1.172 1
1 28 . 19 1 1 A 11 11 TRP N N 11 124.940 126.057 -1.117 1
1 29 . 19 1 1 A 11 11 TRP H H 11 8.879 8.750 0.129 1
1 30 . 19 1 1 A 11 11 TRP CA C 11 56.849 58.776 -1.927 1
1 31 . 19 1 1 A 11 11 TRP HA H 11 4.668 4.531 0.137 1
1 32 . 19 1 1 A 11 11 TRP CB C 11 28.603 30.373 -1.770 1
1 47 . 19 1 1 A 11 11 TRP C C 11 177.416 176.427 0.989 1
1 48 . 19 1 1 A 12 12 THR N N 12 115.857 117.556 -1.699 1
1 49 . 19 1 1 A 12 12 THR H H 12 8.760 8.549 0.211 1
1 50 . 19 1 1 A 12 12 THR CA C 12 60.885 59.870 1.015 1
1 51 . 19 1 1 A 12 12 THR HA H 12 4.509 4.740 -0.231 1
1 52 . 19 1 1 A 12 12 THR CB C 12 71.142 70.515 0.627 1
1 58 . 19 1 1 A 12 12 THR C C 12 175.828 175.645 0.183 1
1 59 . 19 1 1 A 13 13 VAL N N 13 121.033 127.584 -6.551 1
1 60 . 19 1 1 A 13 13 VAL H H 13 8.782 8.841 -0.059 1
1 61 . 19 1 1 A 13 13 VAL CA C 13 66.558 66.971 -0.413 1
1 62 . 19 1 1 A 13 13 VAL HA H 13 3.784 3.711 0.073 1
1 63 . 19 1 1 A 13 13 VAL CB C 13 31.659 31.718 -0.059 1
1 73 . 19 1 1 A 13 13 VAL C C 13 178.595 177.303 1.292 1
1 74 . 19 1 1 A 14 14 GLU N N 14 119.290 118.906 0.384 1
1 75 . 19 1 1 A 14 14 GLU H H 14 8.586 8.465 0.121 1
1 76 . 19 1 1 A 14 14 GLU CA C 14 60.285 59.920 0.365 1
1 77 . 19 1 1 A 14 14 GLU HA H 14 4.024 4.012 0.012 1
1 78 . 19 1 1 A 14 14 GLU CB C 14 29.039 29.289 -0.250 1
1 84 . 19 1 1 A 14 14 GLU C C 14 179.736 179.137 0.599 1
1 85 . 19 1 1 A 15 15 GLU N N 15 121.533 120.048 1.485 1
1 86 . 19 1 1 A 15 15 GLU H H 15 7.934 8.177 -0.243 1
1 87 . 19 1 1 A 15 15 GLU CA C 15 59.834 59.264 0.570 1
1 88 . 19 1 1 A 15 15 GLU HA H 15 3.990 4.206 -0.216 1
1 89 . 19 1 1 A 15 15 GLU CB C 15 31.315 29.410 1.905 1
1 95 . 19 1 1 A 15 15 GLU C C 15 178.886 179.293 -0.407 1
1 96 . 19 1 1 A 16 16 GLN N N 16 119.475 119.549 -0.074 1
1 97 . 19 1 1 A 16 16 GLN H H 16 8.595 8.832 -0.237 1
1 98 . 19 1 1 A 16 16 GLN CA C 16 59.369 59.620 -0.251 1
1 99 . 19 1 1 A 16 16 GLN HA H 16 4.104 4.116 -0.012 1
1 100 . 19 1 1 A 16 16 GLN CB C 16 28.376 28.594 -0.218 1
1 109 . 19 1 1 A 16 16 GLN C C 16 178.548 178.397 0.151 1
1 110 . 19 1 1 A 17 17 LYS N N 17 119.404 118.806 0.598 1
1 111 . 19 1 1 A 17 17 LYS H H 17 8.241 8.250 -0.009 1
1 112 . 19 1 1 A 17 17 LYS CA C 17 59.175 59.487 -0.312 1
1 113 . 19 1 1 A 17 17 LYS HA H 17 4.103 4.107 -0.004 1
1 114 . 19 1 1 A 17 17 LYS CB C 17 31.980 32.474 -0.494 1
1 126 . 19 1 1 A 17 17 LYS C C 17 179.663 178.851 0.812 1
1 127 . 19 1 1 A 18 18 LYS N N 18 120.546 119.652 0.894 1
1 128 . 19 1 1 A 18 18 LYS H H 18 7.852 7.879 -0.027 1
1 129 . 19 1 1 A 18 18 LYS CA C 18 59.432 59.682 -0.250 1
1 130 . 19 1 1 A 18 18 LYS HA H 18 4.157 4.068 0.089 1
1 131 . 19 1 1 A 18 18 LYS CB C 18 32.166 32.248 -0.082 1
1 143 . 19 1 1 A 18 18 LYS C C 18 179.003 178.736 0.267 1
1 144 . 19 1 1 A 19 19 LEU N N 19 120.782 120.978 -0.196 1
1 145 . 19 1 1 A 19 19 LEU H H 19 8.639 8.478 0.161 1
1 146 . 19 1 1 A 19 19 LEU CA C 19 58.729 58.307 0.422 1
1 147 . 19 1 1 A 19 19 LEU HA H 19 4.042 4.136 -0.094 1
1 148 . 19 1 1 A 19 19 LEU CB C 19 41.465 42.037 -0.572 1
1 161 . 19 1 1 A 19 19 LEU C C 19 177.410 178.513 -1.103 1
1 162 . 19 1 1 A 20 20 GLU N N 20 116.982 118.056 -1.074 1
1 163 . 19 1 1 A 20 20 GLU H H 20 7.981 8.263 -0.282 1
1 164 . 19 1 1 A 20 20 GLU CA C 20 60.285 59.809 0.476 1
1 165 . 19 1 1 A 20 20 GLU HA H 20 3.647 4.123 -0.476 1
1 166 . 19 1 1 A 20 20 GLU CB C 20 29.612 29.466 0.146 1
1 172 . 19 1 1 A 20 20 GLU C C 20 179.066 179.323 -0.257 1
1 173 . 19 1 1 A 21 21 GLN N N 21 115.877 119.410 -3.533 1
1 174 . 19 1 1 A 21 21 GLN H H 21 7.518 7.624 -0.106 1
1 175 . 19 1 1 A 21 21 GLN CA C 21 58.409 58.491 -0.082 1
1 176 . 19 1 1 A 21 21 GLN HA H 21 4.112 4.152 -0.040 1
1 177 . 19 1 1 A 21 21 GLN CB C 21 28.405 28.574 -0.169 1
1 186 . 19 1 1 A 21 21 GLN C C 21 180.271 179.130 1.141 1
1 187 . 19 1 1 A 22 22 LEU N N 22 123.461 120.783 2.678 1
1 188 . 19 1 1 A 22 22 LEU H H 22 8.775 8.289 0.486 1
1 189 . 19 1 1 A 22 22 LEU CA C 22 57.782 58.260 -0.478 1
1 190 . 19 1 1 A 22 22 LEU HA H 22 4.243 4.145 0.098 1
1 191 . 19 1 1 A 22 22 LEU CB C 22 42.687 41.714 0.973 1
1 204 . 19 1 1 A 22 22 LEU C C 22 178.112 179.459 -1.347 1
1 205 . 19 1 1 A 23 23 LEU N N 23 119.576 119.190 0.386 1
1 206 . 19 1 1 A 23 23 LEU H H 23 8.260 8.585 -0.325 1
1 207 . 19 1 1 A 23 23 LEU CA C 23 57.281 58.409 -1.128 1
1 208 . 19 1 1 A 23 23 LEU HA H 23 4.174 4.099 0.075 1
1 209 . 19 1 1 A 23 23 LEU CB C 23 42.175 41.716 0.459 1
1 222 . 19 1 1 A 23 23 LEU C C 23 177.927 179.270 -1.343 1
1 223 . 19 1 1 A 24 24 ILE N N 24 116.614 119.380 -2.766 1
1 224 . 19 1 1 A 24 24 ILE H H 24 6.949 8.241 -1.292 1
1 225 . 19 1 1 A 24 24 ILE CA C 24 62.755 65.684 -2.929 1
1 226 . 19 1 1 A 24 24 ILE HA H 24 3.787 3.569 0.218 1
1 227 . 19 1 1 A 24 24 ILE CB C 24 38.208 37.683 0.525 1
1 240 . 19 1 1 A 24 24 ILE C C 24 177.066 178.100 -1.034 1
1 241 . 19 1 1 A 25 25 LYS N N 25 121.060 122.550 -1.490 1
1 242 . 19 1 1 A 25 25 LYS H H 25 7.421 7.933 -0.512 1
1 243 . 19 1 1 A 25 25 LYS CA C 25 59.281 59.075 0.206 1
1 244 . 19 1 1 A 25 25 LYS HA H 25 3.726 4.000 -0.274 1
1 245 . 19 1 1 A 25 25 LYS CB C 25 34.011 31.961 2.050 1
1 257 . 19 1 1 A 25 25 LYS C C 25 175.900 176.018 -0.118 1
1 258 . 19 1 1 A 26 26 TYR N N 26 117.015 116.753 0.262 1
1 259 . 19 1 1 A 26 26 TYR H H 26 8.124 8.565 -0.441 1
1 260 . 19 1 1 A 26 26 TYR CA C 26 54.995 55.024 -0.029 1
1 261 . 19 1 1 A 26 26 TYR HA H 26 4.988 4.976 0.012 1
1 262 . 19 1 1 A 26 26 TYR CB C 26 37.055 38.601 -1.546 1
1 273 . 19 1 1 A 27 27 PRO CA C 27 62.102 61.652 0.450 1
1 274 . 19 1 1 A 27 27 PRO HA H 27 4.833 4.714 0.119 1
1 275 . 19 1 1 A 27 27 PRO CB C 27 30.960 31.723 -0.763 1
1 284 . 19 1 1 A 28 28 PRO CA C 28 64.218 62.736 1.482 1
1 285 . 19 1 1 A 28 28 PRO HA H 28 4.127 4.516 -0.389 1
1 286 . 19 1 1 A 28 28 PRO CB C 28 31.726 32.868 -1.142 1
1 295 . 19 1 1 A 28 28 PRO C C 28 175.552 176.149 -0.597 1
1 296 . 19 1 1 A 29 29 GLU N N 29 120.378 118.268 2.110 1
1 297 . 19 1 1 A 29 29 GLU H H 29 8.473 8.347 0.126 1
1 298 . 19 1 1 A 29 29 GLU CA C 29 54.425 54.861 -0.436 1
1 299 . 19 1 1 A 29 29 GLU HA H 29 4.734 4.854 -0.120 1
1 300 . 19 1 1 A 29 29 GLU CB C 29 33.430 31.850 1.580 1
1 306 . 19 1 1 A 29 29 GLU C C 29 175.244 176.376 -1.132 1
1 307 . 19 1 1 A 30 30 GLU N N 30 120.351 119.333 1.018 1
1 308 . 19 1 1 A 30 30 GLU H H 30 8.502 8.798 -0.296 1
1 309 . 19 1 1 A 30 30 GLU CA C 30 60.066 59.927 0.139 1
1 310 . 19 1 1 A 30 30 GLU HA H 30 3.898 3.987 -0.089 1
1 311 . 19 1 1 A 30 30 GLU CB C 30 30.038 29.603 0.435 1
1 317 . 19 1 1 A 30 30 GLU C C 30 177.211 175.960 1.251 1
1 318 . 19 1 1 A 31 31 VAL N N 31 119.224 117.017 2.207 1
1 319 . 19 1 1 A 31 31 VAL H H 31 8.363 8.206 0.157 1
1 320 . 19 1 1 A 31 31 VAL CA C 31 61.327 61.568 -0.241 1
1 321 . 19 1 1 A 31 31 VAL HA H 31 4.154 4.181 -0.027 1
1 322 . 19 1 1 A 31 31 VAL CB C 31 30.937 32.572 -1.635 1
1 332 . 19 1 1 A 31 31 VAL C C 31 176.298 175.878 0.420 1
1 333 . 19 1 1 A 32 32 GLU N N 32 128.219 127.452 0.767 1
1 334 . 19 1 1 A 32 32 GLU H H 32 8.453 8.823 -0.370 1
1 335 . 19 1 1 A 32 32 GLU CA C 32 59.610 58.606 1.004 1
1 336 . 19 1 1 A 32 32 GLU HA H 32 3.729 3.654 0.075 1
1 337 . 19 1 1 A 32 32 GLU CB C 32 29.649 28.704 0.945 1
1 342 . 19 1 1 A 32 32 GLU C C 32 177.405 178.130 -0.725 1
1 343 . 19 1 1 A 33 33 SER N N 33 111.772 118.090 -6.318 1
1 344 . 19 1 1 A 33 33 SER H H 33 8.368 8.092 0.276 1
1 345 . 19 1 1 A 33 33 SER CA C 33 61.378 61.883 -0.505 1
1 346 . 19 1 1 A 33 33 SER HA H 33 4.087 4.239 -0.152 1
1 347 . 19 1 1 A 33 33 SER CB C 33 61.842 62.666 -0.824 1
1 350 . 19 1 1 A 33 33 SER C C 33 177.086 176.506 0.580 1
1 351 . 19 1 1 A 34 34 ARG N N 34 121.109 119.887 1.222 1
1 352 . 19 1 1 A 34 34 ARG H H 34 7.445 7.997 -0.552 1
1 353 . 19 1 1 A 34 34 ARG CA C 34 58.682 58.956 -0.274 1
1 354 . 19 1 1 A 34 34 ARG HA H 34 4.067 3.970 0.097 1
1 355 . 19 1 1 A 34 34 ARG CB C 34 30.095 30.107 -0.012 1
1 364 . 19 1 1 A 34 34 ARG C C 34 178.697 178.450 0.247 1
1 365 . 19 1 1 A 35 35 ARG N N 35 122.297 119.040 3.257 1
1 366 . 19 1 1 A 35 35 ARG H H 35 6.826 7.534 -0.708 1
1 367 . 19 1 1 A 35 35 ARG CA C 35 59.479 58.696 0.783 1
1 368 . 19 1 1 A 35 35 ARG HA H 35 3.718 3.740 -0.022 1
1 369 . 19 1 1 A 35 35 ARG CB C 35 30.578 29.176 1.402 1
1 380 . 19 1 1 A 35 35 ARG C C 35 178.318 179.047 -0.729 1
1 381 . 19 1 1 A 36 36 TRP N N 36 115.557 120.109 -4.552 1
1 382 . 19 1 1 A 36 36 TRP H H 36 7.702 7.365 0.337 1
1 383 . 19 1 1 A 36 36 TRP CA C 36 58.127 59.997 -1.870 1
1 384 . 19 1 1 A 36 36 TRP HA H 36 4.929 4.373 0.556 1
1 385 . 19 1 1 A 36 36 TRP CB C 36 30.618 29.414 1.204 1
1 400 . 19 1 1 A 36 36 TRP C C 36 178.742 178.862 -0.120 1
1 401 . 19 1 1 A 37 37 GLN N N 37 117.116 120.178 -3.062 1
1 402 . 19 1 1 A 37 37 GLN H H 37 7.923 7.830 0.093 1
1 403 . 19 1 1 A 37 37 GLN CA C 37 58.501 58.903 -0.402 1
1 404 . 19 1 1 A 37 37 GLN HA H 37 3.950 3.951 -0.001 1
1 405 . 19 1 1 A 37 37 GLN CB C 37 28.719 28.274 0.445 1
1 414 . 19 1 1 A 37 37 GLN C C 37 177.079 178.217 -1.138 1
1 415 . 19 1 1 A 38 38 LYS N N 38 119.256 118.008 1.248 1
1 416 . 19 1 1 A 38 38 LYS H H 38 7.543 7.290 0.253 1
1 417 . 19 1 1 A 38 38 LYS CA C 38 59.855 59.079 0.776 1
1 418 . 19 1 1 A 38 38 LYS HA H 38 3.875 3.902 -0.027 1
1 419 . 19 1 1 A 38 38 LYS CB C 38 31.717 31.801 -0.084 1
1 431 . 19 1 1 A 38 38 LYS C C 38 179.773 178.906 0.867 1
1 432 . 19 1 1 A 39 39 ILE N N 39 117.818 120.531 -2.713 1
1 433 . 19 1 1 A 39 39 ILE H H 39 7.614 7.496 0.118 1
1 434 . 19 1 1 A 39 39 ILE CA C 39 66.296 65.950 0.346 1
1 435 . 19 1 1 A 39 39 ILE HA H 39 3.534 3.463 0.071 1
1 436 . 19 1 1 A 39 39 ILE CB C 39 38.526 39.154 -0.628 1
1 449 . 19 1 1 A 39 39 ILE C C 39 177.376 177.962 -0.586 1
1 450 . 19 1 1 A 40 40 ALA N N 40 122.394 122.478 -0.084 1
1 451 . 19 1 1 A 40 40 ALA H H 40 8.680 8.652 0.028 1
1 452 . 19 1 1 A 40 40 ALA CA C 40 56.117 55.735 0.382 1
1 453 . 19 1 1 A 40 40 ALA HA H 40 3.732 4.074 -0.342 1
1 454 . 19 1 1 A 40 40 ALA CB C 40 17.581 18.471 -0.890 1
1 458 . 19 1 1 A 40 40 ALA C C 40 180.101 179.114 0.987 1
1 459 . 19 1 1 A 41 41 ASP N N 41 117.487 118.397 -0.910 1
1 460 . 19 1 1 A 41 41 ASP H H 41 8.516 8.355 0.161 1
1 461 . 19 1 1 A 41 41 ASP CA C 41 57.069 57.605 -0.536 1
1 462 . 19 1 1 A 41 41 ASP HA H 41 4.425 4.384 0.041 1
1 463 . 19 1 1 A 41 41 ASP CB C 41 40.176 41.685 -1.509 1
1 466 . 19 1 1 A 41 41 ASP C C 41 178.731 178.422 0.309 1
1 467 . 19 1 1 A 42 42 GLU N N 42 118.631 119.040 -0.409 1
1 468 . 19 1 1 A 42 42 GLU H H 42 7.391 7.611 -0.220 1
1 469 . 19 1 1 A 42 42 GLU CA C 42 59.678 59.175 0.503 1
1 470 . 19 1 1 A 42 42 GLU HA H 42 4.246 4.134 0.112 1
1 471 . 19 1 1 A 42 42 GLU CB C 42 29.612 30.213 -0.601 1
1 477 . 19 1 1 A 42 42 GLU C C 42 178.559 179.347 -0.788 1
1 478 . 19 1 1 A 43 43 LEU N N 43 120.834 119.176 1.658 1
1 479 . 19 1 1 A 43 43 LEU H H 43 8.247 7.791 0.456 1
1 480 . 19 1 1 A 43 43 LEU CA C 43 57.274 56.400 0.874 1
1 481 . 19 1 1 A 43 43 LEU HA H 43 4.171 4.130 0.041 1
1 482 . 19 1 1 A 43 43 LEU CB C 43 42.237 42.523 -0.286 1
1 495 . 19 1 1 A 43 43 LEU C C 43 179.282 176.942 2.340 1
1 496 . 19 1 1 A 44 44 GLY N N 44 106.089 106.252 -0.163 1
1 497 . 19 1 1 A 44 44 GLY H H 44 8.218 7.733 0.485 1
1 498 . 19 1 1 A 44 44 GLY CA C 44 46.203 45.668 0.535 1
1 499 . 19 1 1 A 44 44 GLY HA2 H 44 3.738 4.003 -0.265 1
1 500 . 19 1 1 A 44 44 GLY HA3 H 44 4.181 4.010 0.171 1
1 501 . 19 1 1 A 44 44 GLY C C 44 174.363 175.222 -0.859 1
1 502 . 19 1 1 A 45 45 ASN N N 45 117.303 121.917 -4.614 1
1 503 . 19 1 1 A 45 45 ASN H H 45 8.060 8.457 -0.397 1
1 504 . 19 1 1 A 45 45 ASN CA C 45 52.872 53.724 -0.852 1
1 505 . 19 1 1 A 45 45 ASN HA H 45 4.637 4.764 -0.127 1
1 506 . 19 1 1 A 45 45 ASN CB C 45 38.017 39.705 -1.688 1
1 512 . 19 1 1 A 45 45 ASN C C 45 174.403 175.562 -1.159 1
1 513 . 19 1 1 A 46 46 ARG N N 46 115.501 118.880 -3.379 1
1 514 . 19 1 1 A 46 46 ARG H H 46 7.091 7.700 -0.609 1
1 515 . 19 1 1 A 46 46 ARG CA C 46 52.521 56.865 -4.344 1
1 516 . 19 1 1 A 46 46 ARG HA H 46 4.948 4.199 0.749 1
1 517 . 19 1 1 A 46 46 ARG CB C 46 35.298 30.902 4.396 1
1 528 . 19 1 1 A 46 46 ARG C C 46 175.373 175.226 0.147 1
1 529 . 19 1 1 A 47 47 THR N N 47 110.043 115.643 -5.600 1
1 530 . 19 1 1 A 47 47 THR H H 47 8.411 8.052 0.359 1
1 531 . 19 1 1 A 47 47 THR CA C 47 59.643 59.368 0.275 1
1 532 . 19 1 1 A 47 47 THR HA H 47 4.602 4.788 -0.186 1
1 533 . 19 1 1 A 47 47 THR CB C 47 71.307 71.207 0.100 1
1 539 . 19 1 1 A 47 47 THR C C 47 175.891 175.791 0.100 1
1 540 . 19 1 1 A 48 48 ALA N N 48 123.448 128.535 -5.087 1
1 541 . 19 1 1 A 48 48 ALA H H 48 9.205 9.196 0.009 1
1 542 . 19 1 1 A 48 48 ALA CA C 48 55.820 55.585 0.235 1
1 543 . 19 1 1 A 48 48 ALA HA H 48 3.869 4.074 -0.205 1
1 544 . 19 1 1 A 48 48 ALA CB C 48 17.997 18.355 -0.358 1
1 548 . 19 1 1 A 48 48 ALA C C 48 179.731 179.857 -0.126 1
1 549 . 19 1 1 A 49 49 LYS N N 49 117.235 117.288 -0.053 1
1 550 . 19 1 1 A 49 49 LYS H H 49 8.127 8.098 0.029 1
1 551 . 19 1 1 A 49 49 LYS CA C 49 59.436 59.480 -0.044 1
1 552 . 19 1 1 A 49 49 LYS HA H 49 4.008 3.877 0.131 1
1 553 . 19 1 1 A 49 49 LYS CB C 49 32.661 32.236 0.425 1
1 565 . 19 1 1 A 49 49 LYS C C 49 179.567 179.103 0.464 1
1 566 . 19 1 1 A 50 50 GLN N N 50 119.324 118.428 0.896 1
1 567 . 19 1 1 A 50 50 GLN H H 50 7.753 8.288 -0.535 1
1 568 . 19 1 1 A 50 50 GLN CA C 50 58.938 59.328 -0.390 1
1 569 . 19 1 1 A 50 50 GLN HA H 50 4.191 4.039 0.152 1
1 570 . 19 1 1 A 50 50 GLN CB C 50 29.389 28.333 1.056 1
1 579 . 19 1 1 A 50 50 GLN C C 50 180.097 178.744 1.353 1
1 580 . 19 1 1 A 51 51 VAL N N 51 120.881 120.027 0.854 1
1 581 . 19 1 1 A 51 51 VAL H H 51 8.397 7.957 0.440 1
1 582 . 19 1 1 A 51 51 VAL CA C 51 67.510 66.204 1.306 1
1 583 . 19 1 1 A 51 51 VAL HA H 51 3.491 3.628 -0.137 1
1 584 . 19 1 1 A 51 51 VAL CB C 51 31.871 31.736 0.135 1
1 594 . 19 1 1 A 51 51 VAL C C 51 176.150 177.794 -1.644 1
1 595 . 19 1 1 A 52 52 ALA N N 52 120.695 121.688 -0.993 1
1 596 . 19 1 1 A 52 52 ALA H H 52 8.057 8.455 -0.398 1
1 597 . 19 1 1 A 52 52 ALA CA C 52 55.307 54.928 0.379 1
1 598 . 19 1 1 A 52 52 ALA HA H 52 2.379 2.795 -0.416 1
1 599 . 19 1 1 A 52 52 ALA CB C 52 17.410 18.161 -0.751 1
1 603 . 19 1 1 A 52 52 ALA C C 52 180.088 179.403 0.685 1
1 604 . 19 1 1 A 53 53 SER N N 53 110.953 113.578 -2.625 1
1 605 . 19 1 1 A 53 53 SER H H 53 7.653 8.082 -0.429 1
1 606 . 19 1 1 A 53 53 SER CA C 53 61.291 61.461 -0.170 1
1 607 . 19 1 1 A 53 53 SER HA H 53 4.049 4.273 -0.224 1
1 608 . 19 1 1 A 53 53 SER CB C 53 63.032 62.837 0.195 1
1 610 . 19 1 1 A 53 53 SER C C 53 180.076 175.974 4.102 1
1 611 . 19 1 1 A 54 54 GLN N N 54 123.306 121.108 2.198 1
1 612 . 19 1 1 A 54 54 GLN H H 54 7.615 7.905 -0.290 1
1 613 . 19 1 1 A 54 54 GLN CA C 54 57.843 58.364 -0.521 1
1 614 . 19 1 1 A 54 54 GLN HA H 54 3.844 3.618 0.226 1
1 615 . 19 1 1 A 54 54 GLN CB C 54 27.422 27.818 -0.396 1
1 624 . 19 1 1 A 55 55 VAL N N 55 119.150 119.057 0.093 1
1 625 . 19 1 1 A 55 55 VAL H H 55 8.266 7.875 0.391 1
1 626 . 19 1 1 A 55 55 VAL CA C 55 66.491 65.810 0.681 1
1 627 . 19 1 1 A 55 55 VAL HA H 55 3.417 3.578 -0.161 1
1 628 . 19 1 1 A 55 55 VAL CB C 55 31.306 31.619 -0.313 1
1 638 . 19 1 1 A 55 55 VAL C C 55 177.640 178.285 -0.645 1
1 639 . 19 1 1 A 56 56 GLN N N 56 116.992 118.928 -1.936 1
1 640 . 19 1 1 A 56 56 GLN H H 56 7.578 7.643 -0.065 1
1 641 . 19 1 1 A 56 56 GLN CA C 56 58.616 58.846 -0.230 1
1 642 . 19 1 1 A 56 56 GLN HA H 56 3.964 3.978 -0.014 1
1 643 . 19 1 1 A 56 56 GLN CB C 56 28.115 28.117 -0.002 1
1 652 . 19 1 1 A 56 56 GLN C C 56 177.976 178.844 -0.868 1
1 653 . 19 1 1 A 57 57 LYS N N 57 117.073 118.735 -1.662 1
1 654 . 19 1 1 A 57 57 LYS H H 57 7.378 7.753 -0.375 1
1 655 . 19 1 1 A 57 57 LYS CA C 57 58.958 58.211 0.747 1
1 656 . 19 1 1 A 57 57 LYS HA H 57 3.897 4.203 -0.306 1
1 657 . 19 1 1 A 57 57 LYS CB C 57 32.837 31.469 1.368 1
1 669 . 19 1 1 A 57 57 LYS C C 57 178.237 177.001 1.236 1
1 670 . 19 1 1 A 58 58 TYR N N 58 117.398 117.405 -0.007 1
1 671 . 19 1 1 A 58 58 TYR H H 58 7.722 7.972 -0.250 1
1 672 . 19 1 1 A 58 58 TYR CA C 58 59.231 59.526 -0.295 1
1 673 . 19 1 1 A 58 58 TYR HA H 58 4.422 4.500 -0.078 1
1 674 . 19 1 1 A 58 58 TYR CB C 58 38.850 40.004 -1.154 1
1 685 . 19 1 1 A 58 58 TYR C C 58 176.329 176.473 -0.144 1
1 686 . 19 1 1 A 59 59 PHE N N 59 118.720 115.900 2.820 1
1 687 . 19 1 1 A 59 59 PHE H H 59 8.197 8.174 0.023 1
1 688 . 19 1 1 A 59 59 PHE CA C 59 59.396 59.302 0.094 1
1 689 . 19 1 1 A 59 59 PHE HA H 59 4.487 4.619 -0.132 1
1 690 . 19 1 1 A 59 59 PHE CB C 59 39.309 40.007 -0.698 1
1 703 . 19 1 1 A 59 59 PHE C C 59 177.355 177.605 -0.250 1
1 704 . 19 1 1 A 60 60 ILE N N 60 120.989 119.460 1.529 1
1 705 . 19 1 1 A 60 60 ILE H H 60 7.940 8.191 -0.251 1
1 706 . 19 1 1 A 60 60 ILE CA C 60 63.239 65.457 -2.218 1
1 707 . 19 1 1 A 60 60 ILE HA H 60 3.937 3.713 0.224 1
1 708 . 19 1 1 A 60 60 ILE CB C 60 38.017 37.855 0.162 1
1 721 . 19 1 1 A 60 60 ILE C C 60 177.197 177.803 -0.606 1
1 722 . 19 1 1 A 61 61 LYS N N 61 122.558 120.726 1.832 1
1 723 . 19 1 1 A 61 61 LYS H H 61 8.056 8.184 -0.128 1
1 724 . 19 1 1 A 61 61 LYS CA C 61 57.840 59.898 -2.058 1
1 725 . 19 1 1 A 61 61 LYS HA H 61 4.158 3.955 0.203 1
1 726 . 19 1 1 A 61 61 LYS CB C 61 32.480 32.222 0.258 1
1 738 . 19 1 1 A 61 61 LYS C C 61 177.737 178.510 -0.773 1
1 739 . 19 1 1 A 62 62 LEU N N 62 120.763 119.001 1.762 1
1 740 . 19 1 1 A 62 62 LEU H H 62 8.145 7.909 0.236 1
1 741 . 19 1 1 A 62 62 LEU CA C 62 55.989 58.356 -2.367 1
1 742 . 19 1 1 A 62 62 LEU HA H 62 4.302 3.914 0.388 1
1 743 . 19 1 1 A 62 62 LEU CB C 62 42.379 41.677 0.702 1
1 756 . 19 1 1 A 62 62 LEU C C 62 178.178 177.591 0.587 1
1 757 . 19 1 1 A 63 63 THR N N 63 113.377 113.635 -0.258 1
1 758 . 19 1 1 A 63 63 THR H H 63 8.043 7.779 0.264 1
1 759 . 19 1 1 A 63 63 THR CA C 63 63.007 62.690 0.317 1
1 760 . 19 1 1 A 63 63 THR HA H 63 4.285 4.157 0.128 1
1 761 . 19 1 1 A 63 63 THR CB C 63 70.153 69.419 0.734 1
1 767 . 19 1 1 A 63 63 THR C C 63 175.775 174.926 0.849 1
1 768 . 19 1 1 A 64 64 LYS N N 64 122.961 125.377 -2.416 1
1 769 . 19 1 1 A 64 64 LYS H H 64 8.333 8.754 -0.421 1
1 770 . 19 1 1 A 64 64 LYS CA C 64 57.298 55.331 1.967 1
1 771 . 19 1 1 A 64 64 LYS HA H 64 4.218 4.676 -0.458 1
1 772 . 19 1 1 A 64 64 LYS CB C 64 32.578 32.590 -0.012 1
1 784 . 19 1 1 A 64 64 LYS C C 64 176.684 174.972 1.712 1
1 785 . 19 1 1 A 65 65 ALA N N 65 123.107 121.262 1.845 1
1 786 . 19 1 1 A 65 65 ALA H H 65 8.024 8.061 -0.037 1
1 787 . 19 1 1 A 65 65 ALA CA C 65 52.597 51.348 1.249 1
1 788 . 19 1 1 A 65 65 ALA HA H 65 4.323 4.756 -0.433 1
1 789 . 19 1 1 A 65 65 ALA CB C 65 19.229 22.576 -3.347 1
1 793 . 19 1 1 A 65 65 ALA C C 65 178.017 176.997 1.020 1
1 794 . 19 1 1 A 66 66 GLY N N 66 107.464 110.009 -2.545 1
1 795 . 19 1 1 A 66 66 GLY H H 66 8.165 8.817 -0.652 1
1 796 . 19 1 1 A 66 66 GLY CA C 66 45.223 46.457 -1.234 1
1 797 . 19 1 1 A 66 66 GLY HA2 H 66 3.955 3.859 0.096 1
1 798 . 19 1 1 A 66 66 GLY HA3 H 66 3.888 3.860 0.028 1
1 799 . 19 1 1 A 66 66 GLY C C 66 173.809 173.878 -0.069 1
1 800 . 19 1 1 A 67 67 ILE N N 67 121.784 120.661 1.123 1
1 801 . 19 1 1 A 67 67 ILE H H 67 7.825 7.822 0.003 1
1 802 . 19 1 1 A 67 67 ILE CA C 67 58.397 57.815 0.582 1
1 803 . 19 1 1 A 67 67 ILE HA H 67 4.457 4.618 -0.161 1
1 804 . 19 1 1 A 67 67 ILE CB C 67 38.622 41.275 -2.653 1
1 817 . 19 1 1 A 67 67 ILE C C 67 174.638 174.087 0.551 1
1 818 . 19 1 1 A 68 68 PRO CA C 68 63.157 62.684 0.473 1
1 819 . 19 1 1 A 68 68 PRO HA H 68 4.499 4.667 -0.168 1
1 820 . 19 1 1 A 68 68 PRO CB C 68 31.946 31.741 0.205 1
1 829 . 19 1 1 A 68 68 PRO C C 68 176.866 177.015 -0.149 1
1 830 . 19 1 1 A 69 69 VAL N N 69 120.953 123.840 -2.887 1
1 831 . 19 1 1 A 69 69 VAL H H 69 8.269 8.151 0.118 1
1 832 . 19 1 1 A 69 69 VAL CA C 69 62.460 62.952 -0.492 1
1 833 . 19 1 1 A 69 69 VAL HA H 69 4.112 4.057 0.055 1
1 834 . 19 1 1 A 69 69 VAL CB C 69 32.882 31.825 1.057 1
1 844 . 19 1 1 A 69 69 VAL C C 69 176.217 176.140 0.077 1
1 845 . 19 1 1 A 70 70 SER N N 70 118.672 121.538 -2.866 1
1 846 . 19 1 1 A 70 70 SER H H 70 8.321 8.663 -0.342 1
1 847 . 19 1 1 A 70 70 SER CA C 70 58.127 57.470 0.657 1
1 848 . 19 1 1 A 70 70 SER HA H 70 4.536 4.912 -0.376 1
1 849 . 19 1 1 A 70 70 SER CB C 70 64.051 66.497 -2.446 1
1 852 . 19 1 1 A 70 70 SER C C 70 174.419 173.562 0.857 1
1 853 . 19 1 1 A 72 72 PRO CA C 72 63.221 64.403 -1.182 1
1 854 . 19 1 1 A 72 72 PRO HA H 72 4.480 4.472 0.008 1
1 855 . 19 1 1 A 72 72 PRO CB C 72 32.287 31.871 0.416 1
1 864 . 19 1 1 A 73 73 SER N N 73 116.355 114.530 1.825 1
1 865 . 19 1 1 A 73 73 SER H H 73 8.521 8.281 0.240 1
1 866 . 19 1 1 A 73 73 SER CA C 73 58.407 61.654 -3.247 1
1 867 . 19 1 1 A 73 73 SER HA H 73 4.580 4.210 0.370 1
1 868 . 19 1 1 A 73 73 SER CB C 73 63.942 63.278 0.664 1
1 1 . 20 1 1 A 9 9 GLN CA C 9 56.082 55.534 0.548 1
1 2 . 20 1 1 A 9 9 GLN HA H 9 4.326 4.473 -0.147 1
1 3 . 20 1 1 A 9 9 GLN CB C 9 29.035 28.905 0.130 1
1 9 . 20 1 1 A 9 9 GLN C C 9 176.519 175.179 1.340 1
1 10 . 20 1 1 A 10 10 LEU N N 10 124.239 120.875 3.364 1
1 11 . 20 1 1 A 10 10 LEU H H 10 8.287 7.455 0.832 1
1 12 . 20 1 1 A 10 10 LEU CA C 10 55.553 53.682 1.871 1
1 13 . 20 1 1 A 10 10 LEU HA H 10 4.390 4.622 -0.232 1
1 14 . 20 1 1 A 10 10 LEU CB C 10 42.168 43.546 -1.378 1
1 27 . 20 1 1 A 10 10 LEU C C 10 177.357 177.002 0.355 1
1 28 . 20 1 1 A 11 11 TRP N N 11 124.940 121.307 3.633 1
1 29 . 20 1 1 A 11 11 TRP H H 11 8.879 8.680 0.199 1
1 30 . 20 1 1 A 11 11 TRP CA C 11 56.849 58.928 -2.079 1
1 31 . 20 1 1 A 11 11 TRP HA H 11 4.668 4.526 0.142 1
1 32 . 20 1 1 A 11 11 TRP CB C 11 28.603 30.460 -1.857 1
1 47 . 20 1 1 A 11 11 TRP C C 11 177.416 176.592 0.824 1
1 48 . 20 1 1 A 12 12 THR N N 12 115.857 116.322 -0.465 1
1 49 . 20 1 1 A 12 12 THR H H 12 8.760 8.426 0.334 1
1 50 . 20 1 1 A 12 12 THR CA C 12 60.885 60.326 0.559 1
1 51 . 20 1 1 A 12 12 THR HA H 12 4.509 4.672 -0.163 1
1 52 . 20 1 1 A 12 12 THR CB C 12 71.142 70.965 0.177 1
1 58 . 20 1 1 A 12 12 THR C C 12 175.828 175.276 0.552 1
1 59 . 20 1 1 A 13 13 VAL N N 13 121.033 126.596 -5.563 1
1 60 . 20 1 1 A 13 13 VAL H H 13 8.782 8.797 -0.015 1
1 61 . 20 1 1 A 13 13 VAL CA C 13 66.558 65.283 1.275 1
1 62 . 20 1 1 A 13 13 VAL HA H 13 3.784 3.896 -0.112 1
1 63 . 20 1 1 A 13 13 VAL CB C 13 31.659 31.660 -0.001 1
1 73 . 20 1 1 A 13 13 VAL C C 13 178.595 177.964 0.631 1
1 74 . 20 1 1 A 14 14 GLU N N 14 119.290 122.373 -3.083 1
1 75 . 20 1 1 A 14 14 GLU H H 14 8.586 8.565 0.021 1
1 76 . 20 1 1 A 14 14 GLU CA C 14 60.285 59.644 0.641 1
1 77 . 20 1 1 A 14 14 GLU HA H 14 4.024 3.980 0.044 1
1 78 . 20 1 1 A 14 14 GLU CB C 14 29.039 29.292 -0.253 1
1 84 . 20 1 1 A 14 14 GLU C C 14 179.736 179.422 0.314 1
1 85 . 20 1 1 A 15 15 GLU N N 15 121.533 120.132 1.401 1
1 86 . 20 1 1 A 15 15 GLU H H 15 7.934 8.385 -0.451 1
1 87 . 20 1 1 A 15 15 GLU CA C 15 59.834 59.298 0.536 1
1 88 . 20 1 1 A 15 15 GLU HA H 15 3.990 4.102 -0.112 1
1 89 . 20 1 1 A 15 15 GLU CB C 15 31.315 29.234 2.081 1
1 95 . 20 1 1 A 15 15 GLU C C 15 178.886 179.483 -0.597 1
1 96 . 20 1 1 A 16 16 GLN N N 16 119.475 119.080 0.395 1
1 97 . 20 1 1 A 16 16 GLN H H 16 8.595 8.846 -0.251 1
1 98 . 20 1 1 A 16 16 GLN CA C 16 59.369 59.688 -0.319 1
1 99 . 20 1 1 A 16 16 GLN HA H 16 4.104 4.189 -0.085 1
1 100 . 20 1 1 A 16 16 GLN CB C 16 28.376 28.591 -0.215 1
1 109 . 20 1 1 A 16 16 GLN C C 16 178.548 178.560 -0.012 1
1 110 . 20 1 1 A 17 17 LYS N N 17 119.404 118.828 0.576 1
1 111 . 20 1 1 A 17 17 LYS H H 17 8.241 8.065 0.176 1
1 112 . 20 1 1 A 17 17 LYS CA C 17 59.175 59.334 -0.159 1
1 113 . 20 1 1 A 17 17 LYS HA H 17 4.103 4.109 -0.006 1
1 114 . 20 1 1 A 17 17 LYS CB C 17 31.980 32.143 -0.163 1
1 126 . 20 1 1 A 17 17 LYS C C 17 179.663 178.970 0.693 1
1 127 . 20 1 1 A 18 18 LYS N N 18 120.546 119.565 0.981 1
1 128 . 20 1 1 A 18 18 LYS H H 18 7.852 7.971 -0.119 1
1 129 . 20 1 1 A 18 18 LYS CA C 18 59.432 58.801 0.631 1
1 130 . 20 1 1 A 18 18 LYS HA H 18 4.157 4.197 -0.040 1
1 131 . 20 1 1 A 18 18 LYS CB C 18 32.166 32.248 -0.082 1
1 143 . 20 1 1 A 18 18 LYS C C 18 179.003 178.734 0.269 1
1 144 . 20 1 1 A 19 19 LEU N N 19 120.782 120.761 0.021 1
1 145 . 20 1 1 A 19 19 LEU H H 19 8.639 8.128 0.511 1
1 146 . 20 1 1 A 19 19 LEU CA C 19 58.729 56.992 1.737 1
1 147 . 20 1 1 A 19 19 LEU HA H 19 4.042 4.288 -0.246 1
1 148 . 20 1 1 A 19 19 LEU CB C 19 41.465 42.707 -1.242 1
1 161 . 20 1 1 A 19 19 LEU C C 19 177.410 178.766 -1.356 1
1 162 . 20 1 1 A 20 20 GLU N N 20 116.982 118.789 -1.807 1
1 163 . 20 1 1 A 20 20 GLU H H 20 7.981 8.822 -0.841 1
1 164 . 20 1 1 A 20 20 GLU CA C 20 60.285 59.966 0.319 1
1 165 . 20 1 1 A 20 20 GLU HA H 20 3.647 4.045 -0.398 1
1 166 . 20 1 1 A 20 20 GLU CB C 20 29.612 29.480 0.132 1
1 172 . 20 1 1 A 20 20 GLU C C 20 179.066 179.616 -0.550 1
1 173 . 20 1 1 A 21 21 GLN N N 21 115.877 119.054 -3.177 1
1 174 . 20 1 1 A 21 21 GLN H H 21 7.518 7.946 -0.428 1
1 175 . 20 1 1 A 21 21 GLN CA C 21 58.409 58.915 -0.506 1
1 176 . 20 1 1 A 21 21 GLN HA H 21 4.112 4.102 0.010 1
1 177 . 20 1 1 A 21 21 GLN CB C 21 28.405 28.551 -0.146 1
1 186 . 20 1 1 A 21 21 GLN C C 21 180.271 178.899 1.372 1
1 187 . 20 1 1 A 22 22 LEU N N 22 123.461 120.702 2.759 1
1 188 . 20 1 1 A 22 22 LEU H H 22 8.775 8.205 0.570 1
1 189 . 20 1 1 A 22 22 LEU CA C 22 57.782 58.027 -0.245 1
1 190 . 20 1 1 A 22 22 LEU HA H 22 4.243 4.138 0.105 1
1 191 . 20 1 1 A 22 22 LEU CB C 22 42.687 41.570 1.117 1
1 204 . 20 1 1 A 22 22 LEU C C 22 178.112 179.424 -1.312 1
1 205 . 20 1 1 A 23 23 LEU N N 23 119.576 118.709 0.867 1
1 206 . 20 1 1 A 23 23 LEU H H 23 8.260 8.681 -0.421 1
1 207 . 20 1 1 A 23 23 LEU CA C 23 57.281 58.354 -1.073 1
1 208 . 20 1 1 A 23 23 LEU HA H 23 4.174 4.083 0.091 1
1 209 . 20 1 1 A 23 23 LEU CB C 23 42.175 41.660 0.515 1
1 222 . 20 1 1 A 23 23 LEU C C 23 177.927 179.249 -1.322 1
1 223 . 20 1 1 A 24 24 ILE N N 24 116.614 119.515 -2.901 1
1 224 . 20 1 1 A 24 24 ILE H H 24 6.949 7.760 -0.811 1
1 225 . 20 1 1 A 24 24 ILE CA C 24 62.755 65.698 -2.943 1
1 226 . 20 1 1 A 24 24 ILE HA H 24 3.787 3.615 0.172 1
1 227 . 20 1 1 A 24 24 ILE CB C 24 38.208 37.674 0.534 1
1 240 . 20 1 1 A 24 24 ILE C C 24 177.066 177.999 -0.933 1
1 241 . 20 1 1 A 25 25 LYS N N 25 121.060 122.647 -1.587 1
1 242 . 20 1 1 A 25 25 LYS H H 25 7.421 7.872 -0.451 1
1 243 . 20 1 1 A 25 25 LYS CA C 25 59.281 58.932 0.349 1
1 244 . 20 1 1 A 25 25 LYS HA H 25 3.726 4.006 -0.280 1
1 245 . 20 1 1 A 25 25 LYS CB C 25 34.011 31.950 2.061 1
1 257 . 20 1 1 A 25 25 LYS C C 25 175.900 176.078 -0.178 1
1 258 . 20 1 1 A 26 26 TYR N N 26 117.015 116.810 0.205 1
1 259 . 20 1 1 A 26 26 TYR H H 26 8.124 8.436 -0.312 1
1 260 . 20 1 1 A 26 26 TYR CA C 26 54.995 55.024 -0.029 1
1 261 . 20 1 1 A 26 26 TYR HA H 26 4.988 4.974 0.014 1
1 262 . 20 1 1 A 26 26 TYR CB C 26 37.055 38.573 -1.518 1
1 273 . 20 1 1 A 27 27 PRO CA C 27 62.102 61.688 0.414 1
1 274 . 20 1 1 A 27 27 PRO HA H 27 4.833 4.724 0.109 1
1 275 . 20 1 1 A 27 27 PRO CB C 27 30.960 31.672 -0.712 1
1 284 . 20 1 1 A 28 28 PRO CA C 28 64.218 62.760 1.458 1
1 285 . 20 1 1 A 28 28 PRO HA H 28 4.127 4.518 -0.391 1
1 286 . 20 1 1 A 28 28 PRO CB C 28 31.726 32.026 -0.300 1
1 295 . 20 1 1 A 28 28 PRO C C 28 175.552 176.479 -0.927 1
1 296 . 20 1 1 A 29 29 GLU N N 29 120.378 119.094 1.284 1
1 297 . 20 1 1 A 29 29 GLU H H 29 8.473 7.919 0.554 1
1 298 . 20 1 1 A 29 29 GLU CA C 29 54.425 54.192 0.233 1
1 299 . 20 1 1 A 29 29 GLU HA H 29 4.734 4.532 0.202 1
1 300 . 20 1 1 A 29 29 GLU CB C 29 33.430 31.192 2.238 1
1 306 . 20 1 1 A 29 29 GLU C C 29 175.244 176.671 -1.427 1
1 307 . 20 1 1 A 30 30 GLU N N 30 120.351 119.697 0.654 1
1 308 . 20 1 1 A 30 30 GLU H H 30 8.502 8.760 -0.258 1
1 309 . 20 1 1 A 30 30 GLU CA C 30 60.066 59.789 0.277 1
1 310 . 20 1 1 A 30 30 GLU HA H 30 3.898 3.986 -0.088 1
1 311 . 20 1 1 A 30 30 GLU CB C 30 30.038 29.401 0.637 1
1 317 . 20 1 1 A 30 30 GLU C C 30 177.211 175.956 1.255 1
1 318 . 20 1 1 A 31 31 VAL N N 31 119.224 116.488 2.736 1
1 319 . 20 1 1 A 31 31 VAL H H 31 8.363 8.061 0.302 1
1 320 . 20 1 1 A 31 31 VAL CA C 31 61.327 61.123 0.204 1
1 321 . 20 1 1 A 31 31 VAL HA H 31 4.154 4.437 -0.283 1
1 322 . 20 1 1 A 31 31 VAL CB C 31 30.937 34.385 -3.448 1
1 332 . 20 1 1 A 31 31 VAL C C 31 176.298 175.597 0.701 1
1 333 . 20 1 1 A 32 32 GLU N N 32 128.219 122.620 5.599 1
1 334 . 20 1 1 A 32 32 GLU H H 32 8.453 8.575 -0.122 1
1 335 . 20 1 1 A 32 32 GLU CA C 32 59.610 57.478 2.132 1
1 336 . 20 1 1 A 32 32 GLU HA H 32 3.729 3.766 -0.037 1
1 337 . 20 1 1 A 32 32 GLU CB C 32 29.649 30.671 -1.022 1
1 342 . 20 1 1 A 32 32 GLU C C 32 177.405 178.223 -0.818 1
1 343 . 20 1 1 A 33 33 SER N N 33 111.772 116.262 -4.490 1
1 344 . 20 1 1 A 33 33 SER H H 33 8.368 7.961 0.407 1
1 345 . 20 1 1 A 33 33 SER CA C 33 61.378 61.740 -0.362 1
1 346 . 20 1 1 A 33 33 SER HA H 33 4.087 4.306 -0.219 1
1 347 . 20 1 1 A 33 33 SER CB C 33 61.842 62.911 -1.069 1
1 350 . 20 1 1 A 33 33 SER C C 33 177.086 176.736 0.350 1
1 351 . 20 1 1 A 34 34 ARG N N 34 121.109 119.670 1.439 1
1 352 . 20 1 1 A 34 34 ARG H H 34 7.445 7.838 -0.393 1
1 353 . 20 1 1 A 34 34 ARG CA C 34 58.682 58.736 -0.054 1
1 354 . 20 1 1 A 34 34 ARG HA H 34 4.067 4.054 0.013 1
1 355 . 20 1 1 A 34 34 ARG CB C 34 30.095 30.309 -0.214 1
1 364 . 20 1 1 A 34 34 ARG C C 34 178.697 178.461 0.236 1
1 365 . 20 1 1 A 35 35 ARG N N 35 122.297 119.077 3.220 1
1 366 . 20 1 1 A 35 35 ARG H H 35 6.826 7.585 -0.759 1
1 367 . 20 1 1 A 35 35 ARG CA C 35 59.479 58.652 0.827 1
1 368 . 20 1 1 A 35 35 ARG HA H 35 3.718 3.720 -0.002 1
1 369 . 20 1 1 A 35 35 ARG CB C 35 30.578 29.197 1.381 1
1 380 . 20 1 1 A 35 35 ARG C C 35 178.318 178.610 -0.292 1
1 381 . 20 1 1 A 36 36 TRP N N 36 115.557 119.891 -4.334 1
1 382 . 20 1 1 A 36 36 TRP H H 36 7.702 7.400 0.302 1
1 383 . 20 1 1 A 36 36 TRP CA C 36 58.127 59.521 -1.394 1
1 384 . 20 1 1 A 36 36 TRP HA H 36 4.929 4.421 0.508 1
1 385 . 20 1 1 A 36 36 TRP CB C 36 30.618 28.951 1.667 1
1 400 . 20 1 1 A 36 36 TRP C C 36 178.742 178.754 -0.012 1
1 401 . 20 1 1 A 37 37 GLN N N 37 117.116 120.981 -3.865 1
1 402 . 20 1 1 A 37 37 GLN H H 37 7.923 8.402 -0.479 1
1 403 . 20 1 1 A 37 37 GLN CA C 37 58.501 58.622 -0.121 1
1 404 . 20 1 1 A 37 37 GLN HA H 37 3.950 3.920 0.030 1
1 405 . 20 1 1 A 37 37 GLN CB C 37 28.719 28.777 -0.058 1
1 414 . 20 1 1 A 37 37 GLN C C 37 177.079 178.227 -1.148 1
1 415 . 20 1 1 A 38 38 LYS N N 38 119.256 118.308 0.948 1
1 416 . 20 1 1 A 38 38 LYS H H 38 7.543 7.266 0.277 1
1 417 . 20 1 1 A 38 38 LYS CA C 38 59.855 59.086 0.769 1
1 418 . 20 1 1 A 38 38 LYS HA H 38 3.875 3.912 -0.037 1
1 419 . 20 1 1 A 38 38 LYS CB C 38 31.717 31.761 -0.044 1
1 431 . 20 1 1 A 38 38 LYS C C 38 179.773 179.265 0.508 1
1 432 . 20 1 1 A 39 39 ILE N N 39 117.818 120.529 -2.711 1
1 433 . 20 1 1 A 39 39 ILE H H 39 7.614 7.451 0.163 1
1 434 . 20 1 1 A 39 39 ILE CA C 39 66.296 65.673 0.623 1
1 435 . 20 1 1 A 39 39 ILE HA H 39 3.534 3.582 -0.048 1
1 436 . 20 1 1 A 39 39 ILE CB C 39 38.526 37.711 0.815 1
1 449 . 20 1 1 A 39 39 ILE C C 39 177.376 177.955 -0.579 1
1 450 . 20 1 1 A 40 40 ALA N N 40 122.394 122.540 -0.146 1
1 451 . 20 1 1 A 40 40 ALA H H 40 8.680 8.338 0.342 1
1 452 . 20 1 1 A 40 40 ALA CA C 40 56.117 55.659 0.458 1
1 453 . 20 1 1 A 40 40 ALA HA H 40 3.732 4.076 -0.344 1
1 454 . 20 1 1 A 40 40 ALA CB C 40 17.581 18.422 -0.841 1
1 458 . 20 1 1 A 40 40 ALA C C 40 180.101 178.948 1.153 1
1 459 . 20 1 1 A 41 41 ASP N N 41 117.487 118.703 -1.216 1
1 460 . 20 1 1 A 41 41 ASP H H 41 8.516 8.426 0.090 1
1 461 . 20 1 1 A 41 41 ASP CA C 41 57.069 57.822 -0.753 1
1 462 . 20 1 1 A 41 41 ASP HA H 41 4.425 4.347 0.078 1
1 463 . 20 1 1 A 41 41 ASP CB C 41 40.176 40.822 -0.646 1
1 466 . 20 1 1 A 41 41 ASP C C 41 178.731 178.646 0.085 1
1 467 . 20 1 1 A 42 42 GLU N N 42 118.631 118.493 0.138 1
1 468 . 20 1 1 A 42 42 GLU H H 42 7.391 7.879 -0.488 1
1 469 . 20 1 1 A 42 42 GLU CA C 42 59.678 59.227 0.451 1
1 470 . 20 1 1 A 42 42 GLU HA H 42 4.246 4.036 0.210 1
1 471 . 20 1 1 A 42 42 GLU CB C 42 29.612 29.571 0.041 1
1 477 . 20 1 1 A 42 42 GLU C C 42 178.559 179.224 -0.665 1
1 478 . 20 1 1 A 43 43 LEU N N 43 120.834 120.153 0.681 1
1 479 . 20 1 1 A 43 43 LEU H H 43 8.247 7.585 0.662 1
1 480 . 20 1 1 A 43 43 LEU CA C 43 57.274 57.353 -0.079 1
1 481 . 20 1 1 A 43 43 LEU HA H 43 4.171 3.951 0.220 1
1 482 . 20 1 1 A 43 43 LEU CB C 43 42.237 42.274 -0.037 1
1 495 . 20 1 1 A 43 43 LEU C C 43 179.282 177.083 2.199 1
1 496 . 20 1 1 A 44 44 GLY N N 44 106.089 107.149 -1.060 1
1 497 . 20 1 1 A 44 44 GLY H H 44 8.218 7.707 0.511 1
1 498 . 20 1 1 A 44 44 GLY CA C 44 46.203 45.328 0.875 1
1 499 . 20 1 1 A 44 44 GLY HA2 H 44 3.738 3.998 -0.260 1
1 500 . 20 1 1 A 44 44 GLY HA3 H 44 4.181 4.001 0.180 1
1 501 . 20 1 1 A 44 44 GLY C C 44 174.363 174.620 -0.257 1
1 502 . 20 1 1 A 45 45 ASN N N 45 117.303 117.393 -0.090 1
1 503 . 20 1 1 A 45 45 ASN H H 45 8.060 8.172 -0.112 1
1 504 . 20 1 1 A 45 45 ASN CA C 45 52.872 54.636 -1.764 1
1 505 . 20 1 1 A 45 45 ASN HA H 45 4.637 4.795 -0.158 1
1 506 . 20 1 1 A 45 45 ASN CB C 45 38.017 39.066 -1.049 1
1 512 . 20 1 1 A 45 45 ASN C C 45 174.403 175.640 -1.237 1
1 513 . 20 1 1 A 46 46 ARG N N 46 115.501 119.245 -3.744 1
1 514 . 20 1 1 A 46 46 ARG H H 46 7.091 7.805 -0.714 1
1 515 . 20 1 1 A 46 46 ARG CA C 46 52.521 56.312 -3.791 1
1 516 . 20 1 1 A 46 46 ARG HA H 46 4.948 4.380 0.568 1
1 517 . 20 1 1 A 46 46 ARG CB C 46 35.298 31.398 3.900 1
1 528 . 20 1 1 A 46 46 ARG C C 46 175.373 174.967 0.406 1
1 529 . 20 1 1 A 47 47 THR N N 47 110.043 114.167 -4.124 1
1 530 . 20 1 1 A 47 47 THR H H 47 8.411 8.279 0.132 1
1 531 . 20 1 1 A 47 47 THR CA C 47 59.643 59.512 0.131 1
1 532 . 20 1 1 A 47 47 THR HA H 47 4.602 4.950 -0.348 1
1 533 . 20 1 1 A 47 47 THR CB C 47 71.307 71.235 0.072 1
1 539 . 20 1 1 A 47 47 THR C C 47 175.891 175.438 0.453 1
1 540 . 20 1 1 A 48 48 ALA N N 48 123.448 128.050 -4.602 1
1 541 . 20 1 1 A 48 48 ALA H H 48 9.205 9.151 0.054 1
1 542 . 20 1 1 A 48 48 ALA CA C 48 55.820 55.611 0.209 1
1 543 . 20 1 1 A 48 48 ALA HA H 48 3.869 4.299 -0.430 1
1 544 . 20 1 1 A 48 48 ALA CB C 48 17.997 18.333 -0.336 1
1 548 . 20 1 1 A 48 48 ALA C C 48 179.731 179.768 -0.037 1
1 549 . 20 1 1 A 49 49 LYS N N 49 117.235 117.486 -0.251 1
1 550 . 20 1 1 A 49 49 LYS H H 49 8.127 7.942 0.185 1
1 551 . 20 1 1 A 49 49 LYS CA C 49 59.436 59.331 0.105 1
1 552 . 20 1 1 A 49 49 LYS HA H 49 4.008 3.918 0.090 1
1 553 . 20 1 1 A 49 49 LYS CB C 49 32.661 32.207 0.454 1
1 565 . 20 1 1 A 49 49 LYS C C 49 179.567 179.009 0.558 1
1 566 . 20 1 1 A 50 50 GLN N N 50 119.324 118.376 0.948 1
1 567 . 20 1 1 A 50 50 GLN H H 50 7.753 8.254 -0.501 1
1 568 . 20 1 1 A 50 50 GLN CA C 50 58.938 59.016 -0.078 1
1 569 . 20 1 1 A 50 50 GLN HA H 50 4.191 3.976 0.215 1
1 570 . 20 1 1 A 50 50 GLN CB C 50 29.389 28.294 1.095 1
1 579 . 20 1 1 A 50 50 GLN C C 50 180.097 178.424 1.673 1
1 580 . 20 1 1 A 51 51 VAL N N 51 120.881 121.166 -0.285 1
1 581 . 20 1 1 A 51 51 VAL H H 51 8.397 7.996 0.401 1
1 582 . 20 1 1 A 51 51 VAL CA C 51 67.510 66.254 1.256 1
1 583 . 20 1 1 A 51 51 VAL HA H 51 3.491 3.673 -0.182 1
1 584 . 20 1 1 A 51 51 VAL CB C 51 31.871 31.438 0.433 1
1 594 . 20 1 1 A 51 51 VAL C C 51 176.150 177.542 -1.392 1
1 595 . 20 1 1 A 52 52 ALA N N 52 120.695 121.718 -1.023 1
1 596 . 20 1 1 A 52 52 ALA H H 52 8.057 8.478 -0.421 1
1 597 . 20 1 1 A 52 52 ALA CA C 52 55.307 54.904 0.403 1
1 598 . 20 1 1 A 52 52 ALA HA H 52 2.379 2.579 -0.200 1
1 599 . 20 1 1 A 52 52 ALA CB C 52 17.410 17.723 -0.313 1
1 603 . 20 1 1 A 52 52 ALA C C 52 180.088 178.758 1.330 1
1 604 . 20 1 1 A 53 53 SER N N 53 110.953 113.145 -2.192 1
1 605 . 20 1 1 A 53 53 SER H H 53 7.653 7.791 -0.138 1
1 606 . 20 1 1 A 53 53 SER CA C 53 61.291 61.509 -0.218 1
1 607 . 20 1 1 A 53 53 SER HA H 53 4.049 4.016 0.033 1
1 608 . 20 1 1 A 53 53 SER CB C 53 63.032 62.785 0.247 1
1 610 . 20 1 1 A 53 53 SER C C 53 180.076 175.993 4.083 1
1 611 . 20 1 1 A 54 54 GLN N N 54 123.306 120.904 2.402 1
1 612 . 20 1 1 A 54 54 GLN H H 54 7.615 7.675 -0.060 1
1 613 . 20 1 1 A 54 54 GLN CA C 54 57.843 58.270 -0.427 1
1 614 . 20 1 1 A 54 54 GLN HA H 54 3.844 3.698 0.146 1
1 615 . 20 1 1 A 54 54 GLN CB C 54 27.422 27.679 -0.257 1
1 624 . 20 1 1 A 55 55 VAL N N 55 119.150 119.311 -0.161 1
1 625 . 20 1 1 A 55 55 VAL H H 55 8.266 7.665 0.601 1
1 626 . 20 1 1 A 55 55 VAL CA C 55 66.491 66.451 0.040 1
1 627 . 20 1 1 A 55 55 VAL HA H 55 3.417 3.469 -0.052 1
1 628 . 20 1 1 A 55 55 VAL CB C 55 31.306 31.078 0.228 1
1 638 . 20 1 1 A 55 55 VAL C C 55 177.640 177.787 -0.147 1
1 639 . 20 1 1 A 56 56 GLN N N 56 116.992 119.331 -2.339 1
1 640 . 20 1 1 A 56 56 GLN H H 56 7.578 7.786 -0.208 1
1 641 . 20 1 1 A 56 56 GLN CA C 56 58.616 59.383 -0.767 1
1 642 . 20 1 1 A 56 56 GLN HA H 56 3.964 3.939 0.025 1
1 643 . 20 1 1 A 56 56 GLN CB C 56 28.115 28.257 -0.142 1
1 652 . 20 1 1 A 56 56 GLN C C 56 177.976 178.212 -0.236 1
1 653 . 20 1 1 A 57 57 LYS N N 57 117.073 117.266 -0.193 1
1 654 . 20 1 1 A 57 57 LYS H H 57 7.378 7.913 -0.535 1
1 655 . 20 1 1 A 57 57 LYS CA C 57 58.958 57.301 1.657 1
1 656 . 20 1 1 A 57 57 LYS HA H 57 3.897 4.321 -0.424 1
1 657 . 20 1 1 A 57 57 LYS CB C 57 32.837 32.370 0.467 1
1 669 . 20 1 1 A 57 57 LYS C C 57 178.237 176.987 1.250 1
1 670 . 20 1 1 A 58 58 TYR N N 58 117.398 118.137 -0.739 1
1 671 . 20 1 1 A 58 58 TYR H H 58 7.722 8.185 -0.463 1
1 672 . 20 1 1 A 58 58 TYR CA C 58 59.231 59.212 0.019 1
1 673 . 20 1 1 A 58 58 TYR HA H 58 4.422 4.595 -0.173 1
1 674 . 20 1 1 A 58 58 TYR CB C 58 38.850 40.114 -1.264 1
1 685 . 20 1 1 A 58 58 TYR C C 58 176.329 176.537 -0.208 1
1 686 . 20 1 1 A 59 59 PHE N N 59 118.720 116.187 2.533 1
1 687 . 20 1 1 A 59 59 PHE H H 59 8.197 8.391 -0.194 1
1 688 . 20 1 1 A 59 59 PHE CA C 59 59.396 59.380 0.016 1
1 689 . 20 1 1 A 59 59 PHE HA H 59 4.487 4.566 -0.079 1
1 690 . 20 1 1 A 59 59 PHE CB C 59 39.309 40.215 -0.906 1
1 703 . 20 1 1 A 59 59 PHE C C 59 177.355 177.784 -0.429 1
1 704 . 20 1 1 A 60 60 ILE N N 60 120.989 119.686 1.303 1
1 705 . 20 1 1 A 60 60 ILE H H 60 7.940 8.050 -0.110 1
1 706 . 20 1 1 A 60 60 ILE CA C 60 63.239 65.397 -2.158 1
1 707 . 20 1 1 A 60 60 ILE HA H 60 3.937 3.803 0.134 1
1 708 . 20 1 1 A 60 60 ILE CB C 60 38.017 37.794 0.223 1
1 721 . 20 1 1 A 60 60 ILE C C 60 177.197 177.899 -0.702 1
1 722 . 20 1 1 A 61 61 LYS N N 61 122.558 120.908 1.650 1
1 723 . 20 1 1 A 61 61 LYS H H 61 8.056 7.768 0.288 1
1 724 . 20 1 1 A 61 61 LYS CA C 61 57.840 59.949 -2.109 1
1 725 . 20 1 1 A 61 61 LYS HA H 61 4.158 4.004 0.154 1
1 726 . 20 1 1 A 61 61 LYS CB C 61 32.480 32.172 0.308 1
1 738 . 20 1 1 A 61 61 LYS C C 61 177.737 178.646 -0.909 1
1 739 . 20 1 1 A 62 62 LEU N N 62 120.763 119.769 0.994 1
1 740 . 20 1 1 A 62 62 LEU H H 62 8.145 8.182 -0.037 1
1 741 . 20 1 1 A 62 62 LEU CA C 62 55.989 57.865 -1.876 1
1 742 . 20 1 1 A 62 62 LEU HA H 62 4.302 3.979 0.323 1
1 743 . 20 1 1 A 62 62 LEU CB C 62 42.379 41.590 0.789 1
1 756 . 20 1 1 A 62 62 LEU C C 62 178.178 178.932 -0.754 1
1 757 . 20 1 1 A 63 63 THR N N 63 113.377 114.345 -0.968 1
1 758 . 20 1 1 A 63 63 THR H H 63 8.043 7.588 0.455 1
1 759 . 20 1 1 A 63 63 THR CA C 63 63.007 66.632 -3.625 1
1 760 . 20 1 1 A 63 63 THR HA H 63 4.285 3.809 0.476 1
1 761 . 20 1 1 A 63 63 THR CB C 63 70.153 68.574 1.579 1
1 767 . 20 1 1 A 63 63 THR C C 63 175.775 174.746 1.029 1
1 768 . 20 1 1 A 64 64 LYS N N 64 122.961 120.930 2.031 1
1 769 . 20 1 1 A 64 64 LYS H H 64 8.333 7.676 0.657 1
1 770 . 20 1 1 A 64 64 LYS CA C 64 57.298 57.416 -0.118 1
1 771 . 20 1 1 A 64 64 LYS HA H 64 4.218 3.937 0.281 1
1 772 . 20 1 1 A 64 64 LYS CB C 64 32.578 31.327 1.251 1
1 784 . 20 1 1 A 64 64 LYS C C 64 176.684 174.906 1.778 1
1 785 . 20 1 1 A 65 65 ALA N N 65 123.107 118.756 4.351 1
1 786 . 20 1 1 A 65 65 ALA H H 65 8.024 7.433 0.591 1
1 787 . 20 1 1 A 65 65 ALA CA C 65 52.597 51.800 0.797 1
1 788 . 20 1 1 A 65 65 ALA HA H 65 4.323 4.522 -0.199 1
1 789 . 20 1 1 A 65 65 ALA CB C 65 19.229 21.758 -2.529 1
1 793 . 20 1 1 A 65 65 ALA C C 65 178.017 176.133 1.884 1
1 794 . 20 1 1 A 66 66 GLY N N 66 107.464 109.362 -1.898 1
1 795 . 20 1 1 A 66 66 GLY H H 66 8.165 8.789 -0.624 1
1 796 . 20 1 1 A 66 66 GLY CA C 66 45.223 47.020 -1.797 1
1 797 . 20 1 1 A 66 66 GLY HA2 H 66 3.955 3.851 0.104 1
1 798 . 20 1 1 A 66 66 GLY HA3 H 66 3.888 3.853 0.035 1
1 799 . 20 1 1 A 66 66 GLY C C 66 173.809 174.557 -0.748 1
1 800 . 20 1 1 A 67 67 ILE N N 67 121.784 120.964 0.820 1
1 801 . 20 1 1 A 67 67 ILE H H 67 7.825 7.920 -0.095 1
1 802 . 20 1 1 A 67 67 ILE CA C 67 58.397 57.739 0.658 1
1 803 . 20 1 1 A 67 67 ILE HA H 67 4.457 4.531 -0.074 1
1 804 . 20 1 1 A 67 67 ILE CB C 67 38.622 40.290 -1.668 1
1 817 . 20 1 1 A 67 67 ILE C C 67 174.638 174.182 0.456 1
1 818 . 20 1 1 A 68 68 PRO CA C 68 63.157 62.781 0.376 1
1 819 . 20 1 1 A 68 68 PRO HA H 68 4.499 4.794 -0.295 1
1 820 . 20 1 1 A 68 68 PRO CB C 68 31.946 32.893 -0.947 1
1 829 . 20 1 1 A 68 68 PRO C C 68 176.866 176.470 0.396 1
1 830 . 20 1 1 A 69 69 VAL N N 69 120.953 121.076 -0.123 1
1 831 . 20 1 1 A 69 69 VAL H H 69 8.269 8.699 -0.430 1
1 832 . 20 1 1 A 69 69 VAL CA C 69 62.460 63.254 -0.794 1
1 833 . 20 1 1 A 69 69 VAL HA H 69 4.112 4.268 -0.156 1
1 834 . 20 1 1 A 69 69 VAL CB C 69 32.882 34.315 -1.433 1
1 844 . 20 1 1 A 69 69 VAL C C 69 176.217 174.670 1.547 1
1 845 . 20 1 1 A 70 70 SER N N 70 118.672 115.295 3.377 1
1 846 . 20 1 1 A 70 70 SER H H 70 8.321 7.955 0.366 1
1 847 . 20 1 1 A 70 70 SER CA C 70 58.127 57.097 1.030 1
1 848 . 20 1 1 A 70 70 SER HA H 70 4.536 5.161 -0.625 1
1 849 . 20 1 1 A 70 70 SER CB C 70 64.051 65.647 -1.596 1
1 852 . 20 1 1 A 70 70 SER C C 70 174.419 173.356 1.063 1
1 853 . 20 1 1 A 72 72 PRO CA C 72 63.221 64.827 -1.606 1
1 854 . 20 1 1 A 72 72 PRO HA H 72 4.480 4.358 0.122 1
1 855 . 20 1 1 A 72 72 PRO CB C 72 32.287 32.029 0.258 1
1 864 . 20 1 1 A 73 73 SER N N 73 116.355 115.425 0.930 1
1 865 . 20 1 1 A 73 73 SER H H 73 8.521 8.002 0.519 1
1 866 . 20 1 1 A 73 73 SER CA C 73 58.407 60.882 -2.475 1
1 867 . 20 1 1 A 73 73 SER HA H 73 4.580 4.367 0.213 1
1 868 . 20 1 1 A 73 73 SER CB C 73 63.942 63.730 0.212 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 59 1.002 1
2 1 1 1 "RMS(OBS, PRED)" CA 64 1.098 1
3 1 1 1 "RMS(OBS, PRED)" CB 62 1.185 1
4 1 1 1 "RMS(OBS, PRED)" H 59 0.410 1
5 1 1 1 "RMS(OBS, PRED)" HA 66 0.216 1
6 1 1 1 "RMS(OBS, PRED)" N 59 2.486 1
7 1 2 1 "RMS(OBS, PRED)" C 59 1.037 1
8 1 2 1 "RMS(OBS, PRED)" CA 64 1.185 1
9 1 2 1 "RMS(OBS, PRED)" CB 62 1.090 1
10 1 2 1 "RMS(OBS, PRED)" H 59 0.349 1
11 1 2 1 "RMS(OBS, PRED)" HA 66 0.248 1
12 1 2 1 "RMS(OBS, PRED)" N 59 2.104 1
13 1 3 1 "RMS(OBS, PRED)" C 59 1.148 1
14 1 3 1 "RMS(OBS, PRED)" CA 64 1.111 1
15 1 3 1 "RMS(OBS, PRED)" CB 62 1.153 1
16 1 3 1 "RMS(OBS, PRED)" H 59 0.434 1
17 1 3 1 "RMS(OBS, PRED)" HA 66 0.259 1
18 1 3 1 "RMS(OBS, PRED)" N 59 2.354 1
19 1 4 1 "RMS(OBS, PRED)" C 59 0.989 1
20 1 4 1 "RMS(OBS, PRED)" CA 64 1.226 1
21 1 4 1 "RMS(OBS, PRED)" CB 62 1.391 1
22 1 4 1 "RMS(OBS, PRED)" H 59 0.420 1
23 1 4 1 "RMS(OBS, PRED)" HA 66 0.275 1
24 1 4 1 "RMS(OBS, PRED)" N 59 2.727 1
25 1 5 1 "RMS(OBS, PRED)" C 59 1.143 1
26 1 5 1 "RMS(OBS, PRED)" CA 64 1.081 1
27 1 5 1 "RMS(OBS, PRED)" CB 62 1.124 1
28 1 5 1 "RMS(OBS, PRED)" H 59 0.404 1
29 1 5 1 "RMS(OBS, PRED)" HA 66 0.218 1
30 1 5 1 "RMS(OBS, PRED)" N 59 2.234 1
31 1 6 1 "RMS(OBS, PRED)" C 59 1.070 1
32 1 6 1 "RMS(OBS, PRED)" CA 64 1.130 1
33 1 6 1 "RMS(OBS, PRED)" CB 62 1.057 1
34 1 6 1 "RMS(OBS, PRED)" H 59 0.404 1
35 1 6 1 "RMS(OBS, PRED)" HA 66 0.253 1
36 1 6 1 "RMS(OBS, PRED)" N 59 2.184 1
37 1 7 1 "RMS(OBS, PRED)" C 59 1.082 1
38 1 7 1 "RMS(OBS, PRED)" CA 64 1.254 1
39 1 7 1 "RMS(OBS, PRED)" CB 62 1.199 1
40 1 7 1 "RMS(OBS, PRED)" H 59 0.428 1
41 1 7 1 "RMS(OBS, PRED)" HA 66 0.255 1
42 1 7 1 "RMS(OBS, PRED)" N 59 2.187 1
43 1 8 1 "RMS(OBS, PRED)" C 59 1.094 1
44 1 8 1 "RMS(OBS, PRED)" CA 64 1.044 1
45 1 8 1 "RMS(OBS, PRED)" CB 62 1.191 1
46 1 8 1 "RMS(OBS, PRED)" H 59 0.411 1
47 1 8 1 "RMS(OBS, PRED)" HA 66 0.236 1
48 1 8 1 "RMS(OBS, PRED)" N 59 2.383 1
49 1 9 1 "RMS(OBS, PRED)" C 59 1.049 1
50 1 9 1 "RMS(OBS, PRED)" CA 64 1.015 1
51 1 9 1 "RMS(OBS, PRED)" CB 62 1.057 1
52 1 9 1 "RMS(OBS, PRED)" H 59 0.397 1
53 1 9 1 "RMS(OBS, PRED)" HA 66 0.246 1
54 1 9 1 "RMS(OBS, PRED)" N 59 2.082 1
55 1 10 1 "RMS(OBS, PRED)" C 59 1.145 1
56 1 10 1 "RMS(OBS, PRED)" CA 64 1.069 1
57 1 10 1 "RMS(OBS, PRED)" CB 62 1.188 1
58 1 10 1 "RMS(OBS, PRED)" H 59 0.381 1
59 1 10 1 "RMS(OBS, PRED)" HA 66 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 59 2.431 1
61 1 11 1 "RMS(OBS, PRED)" C 59 1.122 1
62 1 11 1 "RMS(OBS, PRED)" CA 64 1.140 1
63 1 11 1 "RMS(OBS, PRED)" CB 62 1.265 1
64 1 11 1 "RMS(OBS, PRED)" H 59 0.426 1
65 1 11 1 "RMS(OBS, PRED)" HA 66 0.271 1
66 1 11 1 "RMS(OBS, PRED)" N 59 2.134 1
67 1 12 1 "RMS(OBS, PRED)" C 59 1.042 1
68 1 12 1 "RMS(OBS, PRED)" CA 64 1.078 1
69 1 12 1 "RMS(OBS, PRED)" CB 62 1.001 1
70 1 12 1 "RMS(OBS, PRED)" H 59 0.413 1
71 1 12 1 "RMS(OBS, PRED)" HA 66 0.231 1
72 1 12 1 "RMS(OBS, PRED)" N 59 2.321 1
73 1 13 1 "RMS(OBS, PRED)" C 59 1.119 1
74 1 13 1 "RMS(OBS, PRED)" CA 64 1.149 1
75 1 13 1 "RMS(OBS, PRED)" CB 62 1.141 1
76 1 13 1 "RMS(OBS, PRED)" H 59 0.371 1
77 1 13 1 "RMS(OBS, PRED)" HA 66 0.255 1
78 1 13 1 "RMS(OBS, PRED)" N 59 2.128 1
79 1 14 1 "RMS(OBS, PRED)" C 59 1.088 1
80 1 14 1 "RMS(OBS, PRED)" CA 64 1.417 1
81 1 14 1 "RMS(OBS, PRED)" CB 62 1.134 1
82 1 14 1 "RMS(OBS, PRED)" H 59 0.414 1
83 1 14 1 "RMS(OBS, PRED)" HA 66 0.286 1
84 1 14 1 "RMS(OBS, PRED)" N 59 2.093 1
85 1 15 1 "RMS(OBS, PRED)" C 59 1.082 1
86 1 15 1 "RMS(OBS, PRED)" CA 64 1.016 1
87 1 15 1 "RMS(OBS, PRED)" CB 62 1.165 1
88 1 15 1 "RMS(OBS, PRED)" H 59 0.398 1
89 1 15 1 "RMS(OBS, PRED)" HA 66 0.247 1
90 1 15 1 "RMS(OBS, PRED)" N 59 2.120 1
91 1 16 1 "RMS(OBS, PRED)" C 59 1.130 1
92 1 16 1 "RMS(OBS, PRED)" CA 64 1.067 1
93 1 16 1 "RMS(OBS, PRED)" CB 62 1.076 1
94 1 16 1 "RMS(OBS, PRED)" H 59 0.369 1
95 1 16 1 "RMS(OBS, PRED)" HA 66 0.237 1
96 1 16 1 "RMS(OBS, PRED)" N 59 2.180 1
97 1 17 1 "RMS(OBS, PRED)" C 59 1.100 1
98 1 17 1 "RMS(OBS, PRED)" CA 64 0.992 1
99 1 17 1 "RMS(OBS, PRED)" CB 62 1.185 1
100 1 17 1 "RMS(OBS, PRED)" H 59 0.371 1
101 1 17 1 "RMS(OBS, PRED)" HA 66 0.226 1
102 1 17 1 "RMS(OBS, PRED)" N 59 2.368 1
103 1 18 1 "RMS(OBS, PRED)" C 59 1.079 1
104 1 18 1 "RMS(OBS, PRED)" CA 64 1.037 1
105 1 18 1 "RMS(OBS, PRED)" CB 62 1.243 1
106 1 18 1 "RMS(OBS, PRED)" H 59 0.418 1
107 1 18 1 "RMS(OBS, PRED)" HA 66 0.256 1
108 1 18 1 "RMS(OBS, PRED)" N 59 2.167 1
109 1 19 1 "RMS(OBS, PRED)" C 59 1.069 1
110 1 19 1 "RMS(OBS, PRED)" CA 64 1.196 1
111 1 19 1 "RMS(OBS, PRED)" CB 62 1.268 1
112 1 19 1 "RMS(OBS, PRED)" H 59 0.368 1
113 1 19 1 "RMS(OBS, PRED)" HA 66 0.250 1
114 1 19 1 "RMS(OBS, PRED)" N 59 2.535 1
115 1 20 1 "RMS(OBS, PRED)" C 59 1.087 1
116 1 20 1 "RMS(OBS, PRED)" CA 64 1.264 1
117 1 20 1 "RMS(OBS, PRED)" CB 62 1.194 1
118 1 20 1 "RMS(OBS, PRED)" H 59 0.432 1
119 1 20 1 "RMS(OBS, PRED)" HA 66 0.233 1
120 1 20 1 "RMS(OBS, PRED)" N 59 2.433 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 9 9 GLN CA C 9 56.082 55.448 0.634 2
1 2 . 1 1 A 9 9 GLN HA H 9 4.326 4.460 -0.134 2
1 3 . 1 1 A 9 9 GLN CB C 9 29.035 28.894 0.141 2
1 9 . 1 1 A 9 9 GLN C C 9 176.519 175.235 1.284 2
1 10 . 1 1 A 10 10 LEU N N 10 124.239 123.236 1.003 2
1 11 . 1 1 A 10 10 LEU H H 10 8.287 8.113 0.174 2
1 12 . 1 1 A 10 10 LEU CA C 10 55.553 54.281 1.272 2
1 13 . 1 1 A 10 10 LEU HA H 10 4.390 4.695 -0.305 2
1 14 . 1 1 A 10 10 LEU CB C 10 42.168 43.307 -1.139 2
1 27 . 1 1 A 10 10 LEU C C 10 177.357 176.949 0.408 2
1 28 . 1 1 A 11 11 TRP N N 11 124.940 122.301 2.639 2
1 29 . 1 1 A 11 11 TRP H H 11 8.879 8.818 0.061 2
1 30 . 1 1 A 11 11 TRP CA C 11 56.849 57.621 -0.772 2
1 31 . 1 1 A 11 11 TRP HA H 11 4.668 4.870 -0.202 2
1 32 . 1 1 A 11 11 TRP CB C 11 28.603 30.734 -2.131 2
1 47 . 1 1 A 11 11 TRP C C 11 177.416 176.156 1.260 2
1 48 . 1 1 A 12 12 THR N N 12 115.857 115.944 -0.087 2
1 49 . 1 1 A 12 12 THR H H 12 8.760 8.421 0.339 2
1 50 . 1 1 A 12 12 THR CA C 12 60.885 59.942 0.943 2
1 51 . 1 1 A 12 12 THR HA H 12 4.509 4.840 -0.331 2
1 52 . 1 1 A 12 12 THR CB C 12 71.142 70.592 0.550 2
1 58 . 1 1 A 12 12 THR C C 12 175.828 175.402 0.426 2
1 59 . 1 1 A 13 13 VAL N N 13 121.033 127.013 -5.980 2
1 60 . 1 1 A 13 13 VAL H H 13 8.782 8.816 -0.034 2
1 61 . 1 1 A 13 13 VAL CA C 13 66.558 66.047 0.511 2
1 62 . 1 1 A 13 13 VAL HA H 13 3.784 3.836 -0.052 2
1 63 . 1 1 A 13 13 VAL CB C 13 31.659 31.797 -0.138 2
1 73 . 1 1 A 13 13 VAL C C 13 178.595 177.586 1.009 2
1 74 . 1 1 A 14 14 GLU N N 14 119.290 120.649 -1.359 2
1 75 . 1 1 A 14 14 GLU H H 14 8.586 8.484 0.102 2
1 76 . 1 1 A 14 14 GLU CA C 14 60.285 59.814 0.471 2
1 77 . 1 1 A 14 14 GLU HA H 14 4.024 4.006 0.018 2
1 78 . 1 1 A 14 14 GLU CB C 14 29.039 29.317 -0.278 2
1 84 . 1 1 A 14 14 GLU C C 14 179.736 179.337 0.399 2
1 85 . 1 1 A 15 15 GLU N N 15 121.533 119.955 1.578 2
1 86 . 1 1 A 15 15 GLU H H 15 7.934 8.201 -0.267 2
1 87 . 1 1 A 15 15 GLU CA C 15 59.834 59.259 0.575 2
1 88 . 1 1 A 15 15 GLU HA H 15 3.990 4.197 -0.207 2
1 89 . 1 1 A 15 15 GLU CB C 15 31.315 29.569 1.746 2
1 95 . 1 1 A 15 15 GLU C C 15 178.886 179.406 -0.520 2
1 96 . 1 1 A 16 16 GLN N N 16 119.475 119.350 0.125 2
1 97 . 1 1 A 16 16 GLN H H 16 8.595 8.779 -0.184 2
1 98 . 1 1 A 16 16 GLN CA C 16 59.369 59.509 -0.140 2
1 99 . 1 1 A 16 16 GLN HA H 16 4.104 4.206 -0.102 2
1 100 . 1 1 A 16 16 GLN CB C 16 28.376 28.464 -0.088 2
1 109 . 1 1 A 16 16 GLN C C 16 178.548 178.539 0.009 2
1 110 . 1 1 A 17 17 LYS N N 17 119.404 118.874 0.530 2
1 111 . 1 1 A 17 17 LYS H H 17 8.241 8.136 0.105 2
1 112 . 1 1 A 17 17 LYS CA C 17 59.175 59.371 -0.196 2
1 113 . 1 1 A 17 17 LYS HA H 17 4.103 4.147 -0.044 2
1 114 . 1 1 A 17 17 LYS CB C 17 31.980 32.332 -0.352 2
1 126 . 1 1 A 17 17 LYS C C 17 179.663 178.899 0.764 2
1 127 . 1 1 A 18 18 LYS N N 18 120.546 119.683 0.863 2
1 128 . 1 1 A 18 18 LYS H H 18 7.852 7.888 -0.036 2
1 129 . 1 1 A 18 18 LYS CA C 18 59.432 59.560 -0.128 2
1 130 . 1 1 A 18 18 LYS HA H 18 4.157 4.119 0.038 2
1 131 . 1 1 A 18 18 LYS CB C 18 32.166 32.417 -0.251 2
1 143 . 1 1 A 18 18 LYS C C 18 179.003 178.658 0.345 2
1 144 . 1 1 A 19 19 LEU N N 19 120.782 120.777 0.005 2
1 145 . 1 1 A 19 19 LEU H H 19 8.639 8.625 0.014 2
1 146 . 1 1 A 19 19 LEU CA C 19 58.729 58.373 0.356 2
1 147 . 1 1 A 19 19 LEU HA H 19 4.042 4.162 -0.120 2
1 148 . 1 1 A 19 19 LEU CB C 19 41.465 41.957 -0.492 2
1 161 . 1 1 A 19 19 LEU C C 19 177.410 178.603 -1.193 2
1 162 . 1 1 A 20 20 GLU N N 20 116.982 118.110 -1.128 2
1 163 . 1 1 A 20 20 GLU H H 20 7.981 8.264 -0.283 2
1 164 . 1 1 A 20 20 GLU CA C 20 60.285 59.876 0.409 2
1 165 . 1 1 A 20 20 GLU HA H 20 3.647 4.110 -0.463 2
1 166 . 1 1 A 20 20 GLU CB C 20 29.612 29.391 0.221 2
1 172 . 1 1 A 20 20 GLU C C 20 179.066 179.454 -0.388 2
1 173 . 1 1 A 21 21 GLN N N 21 115.877 119.071 -3.194 2
1 174 . 1 1 A 21 21 GLN H H 21 7.518 7.827 -0.309 2
1 175 . 1 1 A 21 21 GLN CA C 21 58.409 58.857 -0.448 2
1 176 . 1 1 A 21 21 GLN HA H 21 4.112 4.095 0.017 2
1 177 . 1 1 A 21 21 GLN CB C 21 28.405 28.426 -0.021 2
1 186 . 1 1 A 21 21 GLN C C 21 180.271 178.839 1.432 2
1 187 . 1 1 A 22 22 LEU N N 22 123.461 120.915 2.546 2
1 188 . 1 1 A 22 22 LEU H H 22 8.775 8.241 0.534 2
1 189 . 1 1 A 22 22 LEU CA C 22 57.782 58.086 -0.304 2
1 190 . 1 1 A 22 22 LEU HA H 22 4.243 4.105 0.138 2
1 191 . 1 1 A 22 22 LEU CB C 22 42.687 41.855 0.832 2
1 204 . 1 1 A 22 22 LEU C C 22 178.112 179.247 -1.135 2
1 205 . 1 1 A 23 23 LEU N N 23 119.576 118.451 1.125 2
1 206 . 1 1 A 23 23 LEU H H 23 8.260 8.614 -0.354 2
1 207 . 1 1 A 23 23 LEU CA C 23 57.281 58.399 -1.118 2
1 208 . 1 1 A 23 23 LEU HA H 23 4.174 4.109 0.065 2
1 209 . 1 1 A 23 23 LEU CB C 23 42.175 41.858 0.317 2
1 222 . 1 1 A 23 23 LEU C C 23 177.927 179.235 -1.308 2
1 223 . 1 1 A 24 24 ILE N N 24 116.614 119.415 -2.801 2
1 224 . 1 1 A 24 24 ILE H H 24 6.949 7.949 -1.000 2
1 225 . 1 1 A 24 24 ILE CA C 24 62.755 65.110 -2.355 2
1 226 . 1 1 A 24 24 ILE HA H 24 3.787 3.683 0.104 2
1 227 . 1 1 A 24 24 ILE CB C 24 38.208 37.562 0.646 2
1 240 . 1 1 A 24 24 ILE C C 24 177.066 177.969 -0.903 2
1 241 . 1 1 A 25 25 LYS N N 25 121.060 122.461 -1.401 2
1 242 . 1 1 A 25 25 LYS H H 25 7.421 8.054 -0.633 2
1 243 . 1 1 A 25 25 LYS CA C 25 59.281 59.089 0.192 2
1 244 . 1 1 A 25 25 LYS HA H 25 3.726 4.011 -0.285 2
1 245 . 1 1 A 25 25 LYS CB C 25 34.011 32.109 1.902 2
1 257 . 1 1 A 25 25 LYS C C 25 175.900 176.090 -0.190 2
1 258 . 1 1 A 26 26 TYR N N 26 117.015 116.933 0.082 2
1 259 . 1 1 A 26 26 TYR H H 26 8.124 8.492 -0.368 2
1 260 . 1 1 A 26 26 TYR CA C 26 54.995 55.606 -0.611 2
1 261 . 1 1 A 26 26 TYR HA H 26 4.988 4.881 0.107 2
1 262 . 1 1 A 26 26 TYR CB C 26 37.055 38.641 -1.586 2
1 273 . 1 1 A 27 27 PRO CA C 27 62.102 61.667 0.435 2
1 274 . 1 1 A 27 27 PRO HA H 27 4.833 4.701 0.132 2
1 275 . 1 1 A 27 27 PRO CB C 27 30.960 31.683 -0.723 2
1 284 . 1 1 A 28 28 PRO CA C 28 64.218 62.661 1.557 2
1 285 . 1 1 A 28 28 PRO HA H 28 4.127 4.535 -0.408 2
1 286 . 1 1 A 28 28 PRO CB C 28 31.726 32.600 -0.874 2
1 295 . 1 1 A 28 28 PRO C C 28 175.552 176.239 -0.687 2
1 296 . 1 1 A 29 29 GLU N N 29 120.378 118.397 1.981 2
1 297 . 1 1 A 29 29 GLU H H 29 8.473 8.297 0.176 2
1 298 . 1 1 A 29 29 GLU CA C 29 54.425 54.913 -0.488 2
1 299 . 1 1 A 29 29 GLU HA H 29 4.734 4.722 0.012 2
1 300 . 1 1 A 29 29 GLU CB C 29 33.430 31.466 1.964 2
1 306 . 1 1 A 29 29 GLU C C 29 175.244 176.785 -1.541 2
1 307 . 1 1 A 30 30 GLU N N 30 120.351 119.221 1.130 2
1 308 . 1 1 A 30 30 GLU H H 30 8.502 8.872 -0.370 2
1 309 . 1 1 A 30 30 GLU CA C 30 60.066 59.390 0.676 2
1 310 . 1 1 A 30 30 GLU HA H 30 3.898 4.049 -0.151 2
1 311 . 1 1 A 30 30 GLU CB C 30 30.038 29.365 0.673 2
1 317 . 1 1 A 30 30 GLU C C 30 177.211 176.554 0.657 2
1 318 . 1 1 A 31 31 VAL N N 31 119.224 118.327 0.897 2
1 319 . 1 1 A 31 31 VAL H H 31 8.363 7.995 0.368 2
1 320 . 1 1 A 31 31 VAL CA C 31 61.327 61.876 -0.549 2
1 321 . 1 1 A 31 31 VAL HA H 31 4.154 4.199 -0.045 2
1 322 . 1 1 A 31 31 VAL CB C 31 30.937 32.068 -1.131 2
1 332 . 1 1 A 31 31 VAL C C 31 176.298 176.083 0.216 2
1 333 . 1 1 A 32 32 GLU N N 32 128.219 127.486 0.733 2
1 334 . 1 1 A 32 32 GLU H H 32 8.453 8.708 -0.255 2
1 335 . 1 1 A 32 32 GLU CA C 32 59.610 58.499 1.111 2
1 336 . 1 1 A 32 32 GLU HA H 32 3.729 3.717 0.012 2
1 337 . 1 1 A 32 32 GLU CB C 32 29.649 29.305 0.344 2
1 342 . 1 1 A 32 32 GLU C C 32 177.405 177.868 -0.463 2
1 343 . 1 1 A 33 33 SER N N 33 111.772 115.880 -4.108 2
1 344 . 1 1 A 33 33 SER H H 33 8.368 8.034 0.334 2
1 345 . 1 1 A 33 33 SER CA C 33 61.378 61.443 -0.065 2
1 346 . 1 1 A 33 33 SER HA H 33 4.087 4.321 -0.234 2
1 347 . 1 1 A 33 33 SER CB C 33 61.842 63.042 -1.200 2
1 350 . 1 1 A 33 33 SER C C 33 177.086 176.674 0.412 2
1 351 . 1 1 A 34 34 ARG N N 34 121.109 120.391 0.718 2
1 352 . 1 1 A 34 34 ARG H H 34 7.445 7.854 -0.409 2
1 353 . 1 1 A 34 34 ARG CA C 34 58.682 59.201 -0.519 2
1 354 . 1 1 A 34 34 ARG HA H 34 4.067 3.998 0.069 2
1 355 . 1 1 A 34 34 ARG CB C 34 30.095 29.970 0.125 2
1 364 . 1 1 A 34 34 ARG C C 34 178.697 178.460 0.237 2
1 365 . 1 1 A 35 35 ARG N N 35 122.297 118.951 3.346 2
1 366 . 1 1 A 35 35 ARG H H 35 6.826 7.383 -0.557 2
1 367 . 1 1 A 35 35 ARG CA C 35 59.479 58.687 0.792 2
1 368 . 1 1 A 35 35 ARG HA H 35 3.718 3.807 -0.089 2
1 369 . 1 1 A 35 35 ARG CB C 35 30.578 29.326 1.252 2
1 380 . 1 1 A 35 35 ARG C C 35 178.318 178.761 -0.443 2
1 381 . 1 1 A 36 36 TRP N N 36 115.557 120.131 -4.574 2
1 382 . 1 1 A 36 36 TRP H H 36 7.702 7.306 0.396 2
1 383 . 1 1 A 36 36 TRP CA C 36 58.127 59.964 -1.837 2
1 384 . 1 1 A 36 36 TRP HA H 36 4.929 4.359 0.570 2
1 385 . 1 1 A 36 36 TRP CB C 36 30.618 29.202 1.416 2
1 400 . 1 1 A 36 36 TRP C C 36 178.742 178.794 -0.052 2
1 401 . 1 1 A 37 37 GLN N N 37 117.116 119.590 -2.474 2
1 402 . 1 1 A 37 37 GLN H H 37 7.923 8.018 -0.095 2
1 403 . 1 1 A 37 37 GLN CA C 37 58.501 59.017 -0.516 2
1 404 . 1 1 A 37 37 GLN HA H 37 3.950 3.980 -0.030 2
1 405 . 1 1 A 37 37 GLN CB C 37 28.719 28.299 0.420 2
1 414 . 1 1 A 37 37 GLN C C 37 177.079 178.424 -1.345 2
1 415 . 1 1 A 38 38 LYS N N 38 119.256 118.081 1.175 2
1 416 . 1 1 A 38 38 LYS H H 38 7.543 7.501 0.042 2
1 417 . 1 1 A 38 38 LYS CA C 38 59.855 59.024 0.831 2
1 418 . 1 1 A 38 38 LYS HA H 38 3.875 3.928 -0.053 2
1 419 . 1 1 A 38 38 LYS CB C 38 31.717 31.990 -0.273 2
1 431 . 1 1 A 38 38 LYS C C 38 179.773 179.001 0.772 2
1 432 . 1 1 A 39 39 ILE N N 39 117.818 120.477 -2.659 2
1 433 . 1 1 A 39 39 ILE H H 39 7.614 7.538 0.076 2
1 434 . 1 1 A 39 39 ILE CA C 39 66.296 65.570 0.726 2
1 435 . 1 1 A 39 39 ILE HA H 39 3.534 3.457 0.077 2
1 436 . 1 1 A 39 39 ILE CB C 39 38.526 38.047 0.479 2
1 449 . 1 1 A 39 39 ILE C C 39 177.376 177.980 -0.604 2
1 450 . 1 1 A 40 40 ALA N N 40 122.394 122.442 -0.048 2
1 451 . 1 1 A 40 40 ALA H H 40 8.680 8.588 0.092 2
1 452 . 1 1 A 40 40 ALA CA C 40 56.117 55.728 0.389 2
1 453 . 1 1 A 40 40 ALA HA H 40 3.732 4.049 -0.317 2
1 454 . 1 1 A 40 40 ALA CB C 40 17.581 18.444 -0.863 2
1 458 . 1 1 A 40 40 ALA C C 40 180.101 178.918 1.183 2
1 459 . 1 1 A 41 41 ASP N N 41 117.487 118.526 -1.039 2
1 460 . 1 1 A 41 41 ASP H H 41 8.516 8.329 0.187 2
1 461 . 1 1 A 41 41 ASP CA C 41 57.069 57.734 -0.665 2
1 462 . 1 1 A 41 41 ASP HA H 41 4.425 4.319 0.106 2
1 463 . 1 1 A 41 41 ASP CB C 41 40.176 41.060 -0.884 2
1 466 . 1 1 A 41 41 ASP C C 41 178.731 178.614 0.117 2
1 467 . 1 1 A 42 42 GLU N N 42 118.631 118.391 0.240 2
1 468 . 1 1 A 42 42 GLU H H 42 7.391 7.968 -0.577 2
1 469 . 1 1 A 42 42 GLU CA C 42 59.678 59.302 0.376 2
1 470 . 1 1 A 42 42 GLU HA H 42 4.246 4.072 0.174 2
1 471 . 1 1 A 42 42 GLU CB C 42 29.612 29.569 0.043 2
1 477 . 1 1 A 42 42 GLU C C 42 178.559 179.321 -0.762 2
1 478 . 1 1 A 43 43 LEU N N 43 120.834 119.574 1.260 2
1 479 . 1 1 A 43 43 LEU H H 43 8.247 7.568 0.679 2
1 480 . 1 1 A 43 43 LEU CA C 43 57.274 56.874 0.400 2
1 481 . 1 1 A 43 43 LEU HA H 43 4.171 4.016 0.155 2
1 482 . 1 1 A 43 43 LEU CB C 43 42.237 42.523 -0.286 2
1 495 . 1 1 A 43 43 LEU C C 43 179.282 177.066 2.216 2
1 496 . 1 1 A 44 44 GLY N N 44 106.089 107.206 -1.117 2
1 497 . 1 1 A 44 44 GLY H H 44 8.218 7.990 0.228 2
1 498 . 1 1 A 44 44 GLY CA C 44 46.203 45.485 0.718 2
1 499 . 1 1 A 44 44 GLY HA2 H 44 3.738 3.979 -0.241 2
1 500 . 1 1 A 44 44 GLY HA3 H 44 4.181 3.982 0.199 2
1 501 . 1 1 A 44 44 GLY C C 44 174.363 175.199 -0.836 2
1 502 . 1 1 A 45 45 ASN N N 45 117.303 118.557 -1.254 2
1 503 . 1 1 A 45 45 ASN H H 45 8.060 8.222 -0.162 2
1 504 . 1 1 A 45 45 ASN CA C 45 52.872 55.083 -2.211 2
1 505 . 1 1 A 45 45 ASN HA H 45 4.637 4.571 0.066 2
1 506 . 1 1 A 45 45 ASN CB C 45 38.017 38.920 -0.903 2
1 512 . 1 1 A 45 45 ASN C C 45 174.403 175.800 -1.397 2
1 513 . 1 1 A 46 46 ARG N N 46 115.501 117.952 -2.451 2
1 514 . 1 1 A 46 46 ARG H H 46 7.091 7.711 -0.620 2
1 515 . 1 1 A 46 46 ARG CA C 46 52.521 55.579 -3.058 2
1 516 . 1 1 A 46 46 ARG HA H 46 4.948 4.438 0.510 2
1 517 . 1 1 A 46 46 ARG CB C 46 35.298 31.321 3.977 2
1 528 . 1 1 A 46 46 ARG C C 46 175.373 175.600 -0.227 2
1 529 . 1 1 A 47 47 THR N N 47 110.043 112.410 -2.367 2
1 530 . 1 1 A 47 47 THR H H 47 8.411 8.400 0.011 2
1 531 . 1 1 A 47 47 THR CA C 47 59.643 59.423 0.220 2
1 532 . 1 1 A 47 47 THR HA H 47 4.602 4.932 -0.330 2
1 533 . 1 1 A 47 47 THR CB C 47 71.307 71.975 -0.668 2
1 539 . 1 1 A 47 47 THR C C 47 175.891 175.554 0.337 2
1 540 . 1 1 A 48 48 ALA N N 48 123.448 125.810 -2.362 2
1 541 . 1 1 A 48 48 ALA H H 48 9.205 9.096 0.109 2
1 542 . 1 1 A 48 48 ALA CA C 48 55.820 55.688 0.132 2
1 543 . 1 1 A 48 48 ALA HA H 48 3.869 4.113 -0.244 2
1 544 . 1 1 A 48 48 ALA CB C 48 17.997 18.473 -0.476 2
1 548 . 1 1 A 48 48 ALA C C 48 179.731 179.676 0.055 2
1 549 . 1 1 A 49 49 LYS N N 49 117.235 117.623 -0.387 2
1 550 . 1 1 A 49 49 LYS H H 49 8.127 8.140 -0.013 2
1 551 . 1 1 A 49 49 LYS CA C 49 59.436 59.543 -0.107 2
1 552 . 1 1 A 49 49 LYS HA H 49 4.008 3.907 0.101 2
1 553 . 1 1 A 49 49 LYS CB C 49 32.661 32.312 0.349 2
1 565 . 1 1 A 49 49 LYS C C 49 179.567 178.998 0.569 2
1 566 . 1 1 A 50 50 GLN N N 50 119.324 118.540 0.784 2
1 567 . 1 1 A 50 50 GLN H H 50 7.753 7.881 -0.128 2
1 568 . 1 1 A 50 50 GLN CA C 50 58.938 59.106 -0.168 2
1 569 . 1 1 A 50 50 GLN HA H 50 4.191 4.033 0.158 2
1 570 . 1 1 A 50 50 GLN CB C 50 29.389 28.386 1.003 2
1 579 . 1 1 A 50 50 GLN C C 50 180.097 178.492 1.605 2
1 580 . 1 1 A 51 51 VAL N N 51 120.881 120.731 0.150 2
1 581 . 1 1 A 51 51 VAL H H 51 8.397 8.091 0.306 2
1 582 . 1 1 A 51 51 VAL CA C 51 67.510 66.216 1.294 2
1 583 . 1 1 A 51 51 VAL HA H 51 3.491 3.712 -0.221 2
1 584 . 1 1 A 51 51 VAL CB C 51 31.871 31.509 0.362 2
1 594 . 1 1 A 51 51 VAL C C 51 176.150 177.599 -1.449 2
1 595 . 1 1 A 52 52 ALA N N 52 120.695 121.939 -1.244 2
1 596 . 1 1 A 52 52 ALA H H 52 8.057 8.368 -0.311 2
1 597 . 1 1 A 52 52 ALA CA C 52 55.307 54.967 0.340 2
1 598 . 1 1 A 52 52 ALA HA H 52 2.379 2.739 -0.360 2
1 599 . 1 1 A 52 52 ALA CB C 52 17.410 18.029 -0.619 2
1 603 . 1 1 A 52 52 ALA C C 52 180.088 179.265 0.823 2
1 604 . 1 1 A 53 53 SER N N 53 110.953 113.089 -2.136 2
1 605 . 1 1 A 53 53 SER H H 53 7.653 7.877 -0.224 2
1 606 . 1 1 A 53 53 SER CA C 53 61.291 61.274 0.017 2
1 607 . 1 1 A 53 53 SER HA H 53 4.049 4.082 -0.033 2
1 608 . 1 1 A 53 53 SER CB C 53 63.032 62.752 0.280 2
1 610 . 1 1 A 53 53 SER C C 53 180.076 176.219 3.857 2
1 611 . 1 1 A 54 54 GLN N N 54 123.306 121.014 2.292 2
1 612 . 1 1 A 54 54 GLN H H 54 7.615 7.588 0.027 2
1 613 . 1 1 A 54 54 GLN CA C 54 57.843 58.226 -0.383 2
1 614 . 1 1 A 54 54 GLN HA H 54 3.844 3.695 0.149 2
1 615 . 1 1 A 54 54 GLN CB C 54 27.422 27.826 -0.404 2
1 624 . 1 1 A 55 55 VAL N N 55 119.150 119.605 -0.455 2
1 625 . 1 1 A 55 55 VAL H H 55 8.266 7.770 0.496 2
1 626 . 1 1 A 55 55 VAL CA C 55 66.491 66.261 0.230 2
1 627 . 1 1 A 55 55 VAL HA H 55 3.417 3.428 -0.011 2
1 628 . 1 1 A 55 55 VAL CB C 55 31.306 31.278 0.028 2
1 638 . 1 1 A 55 55 VAL C C 55 177.640 177.917 -0.277 2
1 639 . 1 1 A 56 56 GLN N N 56 116.992 119.015 -2.023 2
1 640 . 1 1 A 56 56 GLN H H 56 7.578 7.745 -0.167 2
1 641 . 1 1 A 56 56 GLN CA C 56 58.616 58.869 -0.253 2
1 642 . 1 1 A 56 56 GLN HA H 56 3.964 3.982 -0.018 2
1 643 . 1 1 A 56 56 GLN CB C 56 28.115 28.347 -0.232 2
1 652 . 1 1 A 56 56 GLN C C 56 177.976 177.936 0.040 2
1 653 . 1 1 A 57 57 LYS N N 57 117.073 117.573 -0.500 2
1 654 . 1 1 A 57 57 LYS H H 57 7.378 7.945 -0.567 2
1 655 . 1 1 A 57 57 LYS CA C 57 58.958 57.319 1.639 2
1 656 . 1 1 A 57 57 LYS HA H 57 3.897 4.283 -0.386 2
1 657 . 1 1 A 57 57 LYS CB C 57 32.837 32.284 0.553 2
1 669 . 1 1 A 57 57 LYS C C 57 178.237 177.116 1.121 2
1 670 . 1 1 A 58 58 TYR N N 58 117.398 117.983 -0.585 2
1 671 . 1 1 A 58 58 TYR H H 58 7.722 8.115 -0.393 2
1 672 . 1 1 A 58 58 TYR CA C 58 59.231 59.301 -0.070 2
1 673 . 1 1 A 58 58 TYR HA H 58 4.422 4.592 -0.170 2
1 674 . 1 1 A 58 58 TYR CB C 58 38.850 40.109 -1.259 2
1 685 . 1 1 A 58 58 TYR C C 58 176.329 176.591 -0.262 2
1 686 . 1 1 A 59 59 PHE N N 59 118.720 116.327 2.393 2
1 687 . 1 1 A 59 59 PHE H H 59 8.197 8.117 0.080 2
1 688 . 1 1 A 59 59 PHE CA C 59 59.396 59.259 0.137 2
1 689 . 1 1 A 59 59 PHE HA H 59 4.487 4.606 -0.119 2
1 690 . 1 1 A 59 59 PHE CB C 59 39.309 40.232 -0.923 2
1 703 . 1 1 A 59 59 PHE C C 59 177.355 177.256 0.099 2
1 704 . 1 1 A 60 60 ILE N N 60 120.989 119.839 1.150 2
1 705 . 1 1 A 60 60 ILE H H 60 7.940 8.033 -0.093 2
1 706 . 1 1 A 60 60 ILE CA C 60 63.239 64.401 -1.162 2
1 707 . 1 1 A 60 60 ILE HA H 60 3.937 3.870 0.067 2
1 708 . 1 1 A 60 60 ILE CB C 60 38.017 37.461 0.556 2
1 721 . 1 1 A 60 60 ILE C C 60 177.197 177.968 -0.771 2
1 722 . 1 1 A 61 61 LYS N N 61 122.558 121.780 0.778 2
1 723 . 1 1 A 61 61 LYS H H 61 8.056 7.957 0.099 2
1 724 . 1 1 A 61 61 LYS CA C 61 57.840 59.084 -1.244 2
1 725 . 1 1 A 61 61 LYS HA H 61 4.158 4.124 0.034 2
1 726 . 1 1 A 61 61 LYS CB C 61 32.480 32.298 0.182 2
1 738 . 1 1 A 61 61 LYS C C 61 177.737 178.504 -0.767 2
1 739 . 1 1 A 62 62 LEU N N 62 120.763 117.841 2.922 2
1 740 . 1 1 A 62 62 LEU H H 62 8.145 7.910 0.235 2
1 741 . 1 1 A 62 62 LEU CA C 62 55.989 56.821 -0.832 2
1 742 . 1 1 A 62 62 LEU HA H 62 4.302 4.130 0.172 2
1 743 . 1 1 A 62 62 LEU CB C 62 42.379 41.625 0.754 2
1 756 . 1 1 A 62 62 LEU C C 62 178.178 177.458 0.721 2
1 757 . 1 1 A 63 63 THR N N 63 113.377 114.652 -1.275 2
1 758 . 1 1 A 63 63 THR H H 63 8.043 7.609 0.434 2
1 759 . 1 1 A 63 63 THR CA C 63 63.007 63.064 -0.057 2
1 760 . 1 1 A 63 63 THR HA H 63 4.285 4.224 0.061 2
1 761 . 1 1 A 63 63 THR CB C 63 70.153 69.267 0.886 2
1 767 . 1 1 A 63 63 THR C C 63 175.775 174.450 1.325 2
1 768 . 1 1 A 64 64 LYS N N 64 122.961 123.046 -0.085 2
1 769 . 1 1 A 64 64 LYS H H 64 8.333 8.388 -0.055 2
1 770 . 1 1 A 64 64 LYS CA C 64 57.298 57.087 0.211 2
1 771 . 1 1 A 64 64 LYS HA H 64 4.218 4.233 -0.015 2
1 772 . 1 1 A 64 64 LYS CB C 64 32.578 32.746 -0.168 2
1 784 . 1 1 A 64 64 LYS C C 64 176.684 176.208 0.476 2
1 785 . 1 1 A 65 65 ALA N N 65 123.107 122.146 0.961 2
1 786 . 1 1 A 65 65 ALA H H 65 8.024 8.176 -0.152 2
1 787 . 1 1 A 65 65 ALA CA C 65 52.597 52.962 -0.365 2
1 788 . 1 1 A 65 65 ALA HA H 65 4.323 4.318 0.005 2
1 789 . 1 1 A 65 65 ALA CB C 65 19.229 19.659 -0.430 2
1 793 . 1 1 A 65 65 ALA C C 65 178.017 178.144 -0.127 2
1 794 . 1 1 A 66 66 GLY N N 66 107.464 107.566 -0.102 2
1 795 . 1 1 A 66 66 GLY H H 66 8.165 8.532 -0.367 2
1 796 . 1 1 A 66 66 GLY CA C 66 45.223 46.267 -1.044 2
1 797 . 1 1 A 66 66 GLY HA2 H 66 3.955 3.923 0.032 2
1 798 . 1 1 A 66 66 GLY HA3 H 66 3.888 3.925 -0.037 2
1 799 . 1 1 A 66 66 GLY C C 66 173.809 174.327 -0.518 2
1 800 . 1 1 A 67 67 ILE N N 67 121.784 121.133 0.651 2
1 801 . 1 1 A 67 67 ILE H H 67 7.825 7.642 0.183 2
1 802 . 1 1 A 67 67 ILE CA C 67 58.397 58.694 -0.298 2
1 803 . 1 1 A 67 67 ILE HA H 67 4.457 4.381 0.076 2
1 804 . 1 1 A 67 67 ILE CB C 67 38.622 39.432 -0.810 2
1 817 . 1 1 A 67 67 ILE C C 67 174.638 174.206 0.432 2
1 818 . 1 1 A 68 68 PRO CA C 68 63.157 62.649 0.508 2
1 819 . 1 1 A 68 68 PRO HA H 68 4.499 4.666 -0.167 2
1 820 . 1 1 A 68 68 PRO CB C 68 31.946 32.287 -0.341 2
1 829 . 1 1 A 68 68 PRO C C 68 176.866 176.334 0.532 2
1 830 . 1 1 A 69 69 VAL N N 69 120.953 121.992 -1.039 2
1 831 . 1 1 A 69 69 VAL H H 69 8.269 8.511 -0.242 2
1 832 . 1 1 A 69 69 VAL CA C 69 62.460 62.226 0.234 2
1 833 . 1 1 A 69 69 VAL HA H 69 4.112 4.303 -0.191 2
1 834 . 1 1 A 69 69 VAL CB C 69 32.882 33.142 -0.260 2
1 844 . 1 1 A 69 69 VAL C C 69 176.217 175.507 0.710 2
1 845 . 1 1 A 70 70 SER N N 70 118.672 119.760 -1.088 2
1 846 . 1 1 A 70 70 SER H H 70 8.321 8.469 -0.148 2
1 847 . 1 1 A 70 70 SER CA C 70 58.127 57.735 0.392 2
1 848 . 1 1 A 70 70 SER HA H 70 4.536 4.891 -0.355 2
1 849 . 1 1 A 70 70 SER CB C 70 64.051 65.379 -1.328 2
1 852 . 1 1 A 70 70 SER C C 70 174.419 173.764 0.655 2
1 853 . 1 1 A 72 72 PRO CA C 72 63.221 63.287 -0.066 2
1 854 . 1 1 A 72 72 PRO HA H 72 4.480 4.524 -0.044 2
1 855 . 1 1 A 72 72 PRO CB C 72 32.287 31.657 0.630 2
1 864 . 1 1 A 73 73 SER N N 73 116.355 116.484 -0.129 2
1 865 . 1 1 A 73 73 SER H H 73 8.521 8.384 0.137 2
1 866 . 1 1 A 73 73 SER CA C 73 58.407 59.197 -0.790 2
1 867 . 1 1 A 73 73 SER HA H 73 4.580 4.424 0.156 2
1 868 . 1 1 A 73 73 SER CB C 73 63.942 63.738 0.204 2
stop_
save_