data_10273_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10273
_Entry.PDB_ID 2EKI
_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 7 7 GLY HA2 H 7 3.759 4.239 -0.480 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.759 4.275 -0.516 1
1 3 . 1 1 1 A 7 7 GLY C C 7 171.455 173.381 -1.926 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 42.980 46.443 -3.463 1
1 5 . 1 1 1 A 8 8 TYR H H 8 7.813 8.870 -1.057 1
1 6 . 1 1 1 A 8 8 TYR HA H 8 4.391 4.605 -0.214 1
1 13 . 1 1 1 A 8 8 TYR C C 8 173.043 175.730 -2.687 1
1 14 . 1 1 1 A 8 8 TYR CA C 8 55.501 57.917 -2.416 1
1 15 . 1 1 1 A 8 8 TYR CB C 8 36.317 38.783 -2.466 1
1 20 . 1 1 1 A 8 8 TYR N N 8 119.411 125.008 -5.597 1
1 21 . 1 1 1 A 9 9 LEU H H 9 7.861 7.442 0.419 1
1 22 . 1 1 1 A 9 9 LEU HA H 9 4.118 4.093 0.025 1
1 32 . 1 1 1 A 9 9 LEU C C 9 173.714 175.347 -1.633 1
1 33 . 1 1 1 A 9 9 LEU CA C 9 52.544 54.392 -1.848 1
1 34 . 1 1 1 A 9 9 LEU CB C 9 40.106 41.512 -1.406 1
1 38 . 1 1 1 A 9 9 LEU N N 9 123.594 123.160 0.434 1
1 39 . 1 1 1 A 10 10 LYS H H 10 7.976 8.097 -0.121 1
1 40 . 1 1 1 A 10 10 LYS HA H 10 4.108 4.433 -0.325 1
1 49 . 1 1 1 A 10 10 LYS C C 10 172.845 175.611 -2.766 1
1 50 . 1 1 1 A 10 10 LYS CA C 10 54.150 55.846 -1.696 1
1 51 . 1 1 1 A 10 10 LYS CB C 10 30.736 33.158 -2.422 1
1 55 . 1 1 1 A 10 10 LYS N N 10 122.047 128.387 -6.340 1
1 56 . 1 1 1 A 11 11 LEU H H 11 8.102 8.639 -0.537 1
1 57 . 1 1 1 A 11 11 LEU HA H 11 4.711 5.192 -0.481 1
1 67 . 1 1 1 A 11 11 LEU C C 11 173.849 175.974 -2.125 1
1 68 . 1 1 1 A 11 11 LEU CA C 11 51.523 53.768 -2.245 1
1 69 . 1 1 1 A 11 11 LEU CB C 11 41.767 44.766 -2.999 1
1 73 . 1 1 1 A 11 11 LEU N N 11 123.872 125.075 -1.203 1
1 74 . 1 1 1 A 12 12 VAL H H 12 8.956 9.156 -0.200 1
1 75 . 1 1 1 A 12 12 VAL HA H 12 4.044 4.914 -0.870 1
1 83 . 1 1 1 A 12 12 VAL C C 12 171.356 174.768 -3.412 1
1 84 . 1 1 1 A 12 12 VAL CA C 12 59.549 59.837 -0.288 1
1 85 . 1 1 1 A 12 12 VAL CB C 12 31.500 33.763 -2.263 1
1 88 . 1 1 1 A 12 12 VAL N N 12 122.036 121.327 0.709 1
1 89 . 1 1 1 A 13 13 ARG H H 13 9.211 8.835 0.376 1
1 90 . 1 1 1 A 13 13 ARG HA H 13 4.434 5.083 -0.649 1
1 98 . 1 1 1 A 13 13 ARG C C 13 171.964 174.956 -2.992 1
1 99 . 1 1 1 A 13 13 ARG CA C 13 52.791 54.783 -1.992 1
1 100 . 1 1 1 A 13 13 ARG CB C 13 29.067 32.791 -3.724 1
1 103 . 1 1 1 A 13 13 ARG N N 13 125.178 122.964 2.214 1
1 105 . 1 1 1 A 14 14 ILE H H 14 8.811 8.771 0.040 1
1 106 . 1 1 1 A 14 14 ILE HA H 14 4.592 4.750 -0.158 1
1 116 . 1 1 1 A 14 14 ILE C C 14 173.197 174.286 -1.089 1
1 117 . 1 1 1 A 14 14 ILE CA C 14 55.308 60.046 -4.738 1
1 118 . 1 1 1 A 14 14 ILE CB C 14 36.411 40.763 -4.352 1
1 122 . 1 1 1 A 14 14 ILE N N 14 122.061 123.438 -1.377 1
1 123 . 1 1 1 A 15 15 TYR H H 15 8.781 9.067 -0.286 1
1 124 . 1 1 1 A 15 15 TYR HA H 15 5.103 4.944 0.159 1
1 131 . 1 1 1 A 15 15 TYR C C 15 172.764 175.359 -2.595 1
1 132 . 1 1 1 A 15 15 TYR CA C 15 53.740 56.947 -3.207 1
1 133 . 1 1 1 A 15 15 TYR CB C 15 37.340 37.958 -0.618 1
1 138 . 1 1 1 A 15 15 TYR N N 15 125.241 127.310 -2.069 1
1 139 . 1 1 1 A 16 16 THR H H 16 8.961 8.873 0.088 1
1 140 . 1 1 1 A 16 16 THR HA H 16 4.806 4.529 0.277 1
1 145 . 1 1 1 A 16 16 THR C C 16 171.478 173.294 -1.816 1
1 146 . 1 1 1 A 16 16 THR CA C 16 59.180 62.934 -3.754 1
1 147 . 1 1 1 A 16 16 THR CB C 16 68.174 69.612 -1.438 1
1 149 . 1 1 1 A 16 16 THR N N 16 116.007 120.803 -4.796 1
1 150 . 1 1 1 A 17 17 LYS H H 17 8.397 8.985 -0.588 1
1 151 . 1 1 1 A 17 17 LYS HA H 17 4.446 4.963 -0.517 1
1 160 . 1 1 1 A 17 17 LYS C C 17 170.870 174.324 -3.454 1
1 161 . 1 1 1 A 17 17 LYS CA C 17 50.238 52.761 -2.523 1
1 162 . 1 1 1 A 17 17 LYS CB C 17 32.677 33.937 -1.260 1
1 166 . 1 1 1 A 17 17 LYS N N 17 125.122 128.637 -3.515 1
1 167 . 1 1 1 A 18 18 PRO HA H 18 4.474 4.624 -0.150 1
1 174 . 1 1 1 A 18 18 PRO C C 18 174.170 177.232 -3.062 1
1 175 . 1 1 1 A 18 18 PRO CA C 18 59.250 62.825 -3.575 1
1 176 . 1 1 1 A 18 18 PRO CB C 18 29.517 31.687 -2.170 1
1 179 . 1 1 1 A 19 19 LYS H H 19 8.467 8.532 -0.065 1
1 180 . 1 1 1 A 19 19 LYS HA H 19 3.887 4.071 -0.184 1
1 187 . 1 1 1 A 19 19 LYS C C 19 175.944 176.797 -0.853 1
1 188 . 1 1 1 A 19 19 LYS CA C 19 55.732 57.101 -1.369 1
1 189 . 1 1 1 A 19 19 LYS CB C 19 29.818 32.289 -2.471 1
1 193 . 1 1 1 A 19 19 LYS N N 19 121.921 119.927 1.994 1
1 194 . 1 1 1 A 20 20 GLY HA2 H 20 3.958 3.977 -0.019 1
1 195 . 1 1 1 A 20 20 GLY HA3 H 20 3.676 3.977 -0.301 1
1 196 . 1 1 1 A 20 20 GLY C C 20 171.329 174.275 -2.946 1
1 197 . 1 1 1 A 20 20 GLY CA C 20 43.304 45.199 -1.895 1
1 198 . 1 1 1 A 21 21 GLN H H 21 7.553 7.891 -0.338 1
1 199 . 1 1 1 A 21 21 GLN HA H 21 4.581 4.637 -0.056 1
1 206 . 1 1 1 A 21 21 GLN C C 21 172.091 175.713 -3.622 1
1 207 . 1 1 1 A 21 21 GLN CA C 21 51.330 55.002 -3.672 1
1 208 . 1 1 1 A 21 21 GLN CB C 21 29.767 30.439 -0.672 1
1 210 . 1 1 1 A 21 21 GLN N N 21 117.269 120.336 -3.067 1
1 212 . 1 1 1 A 22 22 LEU H H 22 8.048 8.363 -0.315 1
1 213 . 1 1 1 A 22 22 LEU HA H 22 4.292 4.855 -0.563 1
1 223 . 1 1 1 A 22 22 LEU C C 22 171.986 174.938 -2.952 1
1 224 . 1 1 1 A 22 22 LEU CA C 22 50.950 52.348 -1.398 1
1 225 . 1 1 1 A 22 22 LEU CB C 22 38.362 42.534 -4.172 1
1 229 . 1 1 1 A 22 22 LEU N N 22 119.689 119.812 -0.123 1
1 230 . 1 1 1 A 23 23 PRO HA H 23 4.196 4.886 -0.690 1
1 237 . 1 1 1 A 23 23 PRO C C 23 172.331 176.537 -4.206 1
1 238 . 1 1 1 A 23 23 PRO CA C 23 59.882 62.472 -2.590 1
1 239 . 1 1 1 A 23 23 PRO CB C 23 28.948 31.450 -2.502 1
1 242 . 1 1 1 A 24 24 ASP H H 24 8.191 8.384 -0.193 1
1 243 . 1 1 1 A 24 24 ASP HA H 24 4.649 4.594 0.055 1
1 246 . 1 1 1 A 24 24 ASP C C 24 175.312 175.619 -0.307 1
1 247 . 1 1 1 A 24 24 ASP CA C 24 49.710 54.336 -4.626 1
1 248 . 1 1 1 A 24 24 ASP CB C 24 37.229 41.026 -3.797 1
1 249 . 1 1 1 A 24 24 ASP N N 24 118.307 120.723 -2.416 1
1 250 . 1 1 1 A 25 25 TYR H H 25 8.171 8.853 -0.682 1
1 251 . 1 1 1 A 25 25 TYR HA H 25 4.173 4.913 -0.740 1
1 258 . 1 1 1 A 25 25 TYR C C 25 173.720 175.920 -2.200 1
1 259 . 1 1 1 A 25 25 TYR CA C 25 57.297 57.646 -0.349 1
1 260 . 1 1 1 A 25 25 TYR CB C 25 34.897 38.712 -3.815 1
1 265 . 1 1 1 A 25 25 TYR N N 25 123.576 120.958 2.618 1
1 266 . 1 1 1 A 26 26 THR H H 26 8.278 8.234 0.044 1
1 267 . 1 1 1 A 26 26 THR HA H 26 4.343 4.702 -0.359 1
1 272 . 1 1 1 A 26 26 THR C C 26 173.145 174.869 -1.724 1
1 273 . 1 1 1 A 26 26 THR CA C 26 60.799 62.810 -2.011 1
1 274 . 1 1 1 A 26 26 THR CB C 26 67.379 71.365 -3.986 1
1 276 . 1 1 1 A 26 26 THR N N 26 109.145 115.210 -6.065 1
1 277 . 1 1 1 A 27 27 SER H H 27 7.085 8.060 -0.975 1
1 278 . 1 1 1 A 27 27 SER HA H 27 5.002 4.978 0.024 1
1 281 . 1 1 1 A 27 27 SER C C 27 169.729 171.555 -1.826 1
1 282 . 1 1 1 A 27 27 SER CA C 27 52.526 55.894 -3.368 1
1 283 . 1 1 1 A 27 27 SER CB C 27 61.215 63.926 -2.711 1
1 284 . 1 1 1 A 27 27 SER N N 27 114.134 116.321 -2.187 1
1 285 . 1 1 1 A 28 28 PRO HA H 28 4.553 4.639 -0.086 1
1 292 . 1 1 1 A 28 28 PRO C C 28 174.448 175.485 -1.037 1
1 293 . 1 1 1 A 28 28 PRO CA C 28 60.482 62.345 -1.863 1
1 294 . 1 1 1 A 28 28 PRO CB C 28 29.224 32.897 -3.673 1
1 297 . 1 1 1 A 29 29 VAL H H 29 9.191 8.097 1.094 1
1 298 . 1 1 1 A 29 29 VAL HA H 29 3.946 4.559 -0.613 1
1 306 . 1 1 1 A 29 29 VAL C C 29 172.641 174.149 -1.508 1
1 307 . 1 1 1 A 29 29 VAL CA C 29 60.367 60.411 -0.044 1
1 308 . 1 1 1 A 29 29 VAL CB C 29 30.546 34.254 -3.708 1
1 311 . 1 1 1 A 29 29 VAL N N 29 123.735 120.639 3.096 1
1 312 . 1 1 1 A 30 30 VAL H H 30 8.169 8.977 -0.808 1
1 313 . 1 1 1 A 30 30 VAL HA H 30 4.940 4.528 0.412 1
1 321 . 1 1 1 A 30 30 VAL C C 30 173.560 175.195 -1.635 1
1 322 . 1 1 1 A 30 30 VAL CA C 30 58.568 62.222 -3.654 1
1 323 . 1 1 1 A 30 30 VAL CB C 30 30.303 30.961 -0.658 1
1 326 . 1 1 1 A 30 30 VAL N N 30 125.255 130.331 -5.076 1
1 327 . 1 1 1 A 31 31 LEU H H 31 8.889 8.898 -0.009 1
1 328 . 1 1 1 A 31 31 LEU HA H 31 4.816 4.756 0.060 1
1 338 . 1 1 1 A 31 31 LEU C C 31 171.113 174.877 -3.764 1
1 339 . 1 1 1 A 31 31 LEU CA C 31 48.760 52.109 -3.349 1
1 340 . 1 1 1 A 31 31 LEU CB C 31 40.938 41.788 -0.850 1
1 344 . 1 1 1 A 31 31 LEU N N 31 127.017 128.966 -1.949 1
1 345 . 1 1 1 A 32 32 PRO HA H 32 4.531 4.677 -0.146 1
1 352 . 1 1 1 A 32 32 PRO C C 32 174.294 177.574 -3.280 1
1 353 . 1 1 1 A 32 32 PRO CA C 32 59.648 62.769 -3.121 1
1 354 . 1 1 1 A 32 32 PRO CB C 32 29.349 31.660 -2.311 1
1 357 . 1 1 1 A 33 33 TYR H H 33 8.105 9.043 -0.938 1
1 358 . 1 1 1 A 33 33 TYR HA H 33 3.788 3.953 -0.165 1
1 365 . 1 1 1 A 33 33 TYR C C 33 173.470 177.214 -3.744 1
1 366 . 1 1 1 A 33 33 TYR CA C 33 58.159 62.255 -4.096 1
1 367 . 1 1 1 A 33 33 TYR CB C 33 36.244 39.036 -2.792 1
1 372 . 1 1 1 A 33 33 TYR N N 33 120.060 126.231 -6.171 1
1 373 . 1 1 1 A 34 34 SER H H 34 7.868 8.344 -0.476 1
1 374 . 1 1 1 A 34 34 SER HA H 34 3.814 4.358 -0.544 1
1 377 . 1 1 1 A 34 34 SER C C 34 171.946 174.757 -2.811 1
1 378 . 1 1 1 A 34 34 SER CA C 34 58.212 61.344 -3.132 1
1 379 . 1 1 1 A 34 34 SER CB C 34 60.928 62.968 -2.040 1
1 380 . 1 1 1 A 34 34 SER N N 34 116.733 113.897 2.836 1
1 381 . 1 1 1 A 35 35 ARG H H 35 7.883 8.239 -0.356 1
1 382 . 1 1 1 A 35 35 ARG HA H 35 4.575 4.693 -0.118 1
1 389 . 1 1 1 A 35 35 ARG C C 35 172.091 174.585 -2.494 1
1 390 . 1 1 1 A 35 35 ARG CA C 35 52.067 54.800 -2.733 1
1 391 . 1 1 1 A 35 35 ARG CB C 35 28.228 31.611 -3.383 1
1 394 . 1 1 1 A 35 35 ARG N N 35 125.492 119.235 6.257 1
1 395 . 1 1 1 A 36 36 THR H H 36 7.874 8.659 -0.785 1
1 396 . 1 1 1 A 36 36 THR HA H 36 4.613 5.289 -0.676 1
1 401 . 1 1 1 A 36 36 THR C C 36 173.095 173.351 -0.256 1
1 402 . 1 1 1 A 36 36 THR CA C 36 57.029 60.596 -3.567 1
1 403 . 1 1 1 A 36 36 THR CB C 36 66.113 70.774 -4.661 1
1 405 . 1 1 1 A 36 36 THR N N 36 107.510 115.036 -7.526 1
1 406 . 1 1 1 A 37 37 THR H H 37 8.804 8.369 0.435 1
1 407 . 1 1 1 A 37 37 THR HA H 37 5.288 4.890 0.398 1
1 412 . 1 1 1 A 37 37 THR C C 37 174.234 174.458 -0.224 1
1 413 . 1 1 1 A 37 37 THR CA C 37 59.681 60.589 -0.908 1
1 414 . 1 1 1 A 37 37 THR CB C 37 70.032 70.742 -0.710 1
1 416 . 1 1 1 A 37 37 THR N N 37 112.714 117.391 -4.677 1
1 417 . 1 1 1 A 38 38 VAL H H 38 8.269 8.951 -0.682 1
1 418 . 1 1 1 A 38 38 VAL HA H 38 3.485 3.604 -0.119 1
1 426 . 1 1 1 A 38 38 VAL C C 38 175.909 177.464 -1.555 1
1 427 . 1 1 1 A 38 38 VAL CA C 38 64.496 66.843 -2.347 1
1 428 . 1 1 1 A 38 38 VAL CB C 38 29.015 31.652 -2.637 1
1 431 . 1 1 1 A 38 38 VAL N N 38 121.372 122.531 -1.159 1
1 432 . 1 1 1 A 39 39 GLU H H 39 8.597 8.537 0.060 1
1 433 . 1 1 1 A 39 39 GLU HA H 39 3.495 3.939 -0.444 1
1 438 . 1 1 1 A 39 39 GLU C C 39 174.769 178.344 -3.575 1
1 439 . 1 1 1 A 39 39 GLU CA C 39 58.418 58.478 -0.060 1
1 440 . 1 1 1 A 39 39 GLU CB C 39 27.358 27.977 -0.619 1
1 442 . 1 1 1 A 39 39 GLU N N 39 121.954 119.351 2.603 1
1 443 . 1 1 1 A 40 40 ASP H H 40 7.493 8.184 -0.691 1
1 444 . 1 1 1 A 40 40 ASP HA H 40 4.071 4.347 -0.276 1
1 447 . 1 1 1 A 40 40 ASP C C 40 176.738 178.462 -1.724 1
1 448 . 1 1 1 A 40 40 ASP CA C 40 55.877 56.986 -1.109 1
1 449 . 1 1 1 A 40 40 ASP CB C 40 38.721 40.514 -1.793 1
1 450 . 1 1 1 A 40 40 ASP N N 40 119.054 121.311 -2.257 1
1 451 . 1 1 1 A 41 41 PHE H H 41 8.429 7.949 0.480 1
1 452 . 1 1 1 A 41 41 PHE HA H 41 3.750 4.034 -0.284 1
1 460 . 1 1 1 A 41 41 PHE C C 41 173.786 177.310 -3.524 1
1 461 . 1 1 1 A 41 41 PHE CA C 41 59.851 60.749 -0.898 1
1 462 . 1 1 1 A 41 41 PHE CB C 41 36.135 39.192 -3.057 1
1 468 . 1 1 1 A 41 41 PHE N N 41 121.017 119.948 1.069 1
1 469 . 1 1 1 A 42 42 CYS H H 42 8.527 8.258 0.269 1
1 470 . 1 1 1 A 42 42 CYS HA H 42 3.752 4.348 -0.596 1
1 473 . 1 1 1 A 42 42 CYS C C 42 174.065 177.086 -3.021 1
1 474 . 1 1 1 A 42 42 CYS CA C 42 62.453 62.039 0.414 1
1 475 . 1 1 1 A 42 42 CYS CB C 42 24.429 27.246 -2.817 1
1 476 . 1 1 1 A 42 42 CYS N N 42 116.390 117.362 -0.972 1
1 477 . 1 1 1 A 43 43 MET H H 43 7.739 8.262 -0.523 1
1 478 . 1 1 1 A 43 43 MET HA H 43 3.885 4.485 -0.600 1
1 486 . 1 1 1 A 43 43 MET C C 43 175.345 178.673 -3.328 1
1 487 . 1 1 1 A 43 43 MET CA C 43 54.460 58.021 -3.561 1
1 488 . 1 1 1 A 43 43 MET CB C 43 28.872 32.877 -4.005 1
1 491 . 1 1 1 A 43 43 MET N N 43 114.377 119.000 -4.623 1
1 492 . 1 1 1 A 44 44 LYS H H 44 7.257 7.758 -0.501 1
1 493 . 1 1 1 A 44 44 LYS HA H 44 3.896 3.846 0.050 1
1 502 . 1 1 1 A 44 44 LYS C C 44 175.198 178.989 -3.791 1
1 503 . 1 1 1 A 44 44 LYS CA C 44 54.181 59.159 -4.978 1
1 504 . 1 1 1 A 44 44 LYS CB C 44 29.291 32.150 -2.859 1
1 508 . 1 1 1 A 44 44 LYS N N 44 117.480 118.417 -0.937 1
1 509 . 1 1 1 A 45 45 ILE H H 45 7.146 6.792 0.354 1
1 510 . 1 1 1 A 45 45 ILE HA H 45 3.697 3.810 -0.113 1
1 520 . 1 1 1 A 45 45 ILE C C 45 174.894 175.905 -1.011 1
1 521 . 1 1 1 A 45 45 ILE CA C 45 59.954 64.004 -4.050 1
1 522 . 1 1 1 A 45 45 ILE CB C 45 33.943 38.483 -4.540 1
1 526 . 1 1 1 A 45 45 ILE N N 45 119.267 117.817 1.450 1
1 527 . 1 1 1 A 46 46 HIS H H 46 7.982 7.755 0.227 1
1 528 . 1 1 1 A 46 46 HIS HA H 46 4.200 4.749 -0.549 1
1 533 . 1 1 1 A 46 46 HIS C C 46 173.349 175.406 -2.057 1
1 534 . 1 1 1 A 46 46 HIS CA C 46 56.363 55.643 0.720 1
1 535 . 1 1 1 A 46 46 HIS CB C 46 30.998 32.748 -1.750 1
1 538 . 1 1 1 A 46 46 HIS N N 46 116.498 117.409 -0.911 1
1 539 . 1 1 1 A 47 47 LYS H H 47 8.478 8.355 0.123 1
1 540 . 1 1 1 A 47 47 LYS HA H 47 4.091 3.972 0.119 1
1 545 . 1 1 1 A 47 47 LYS C C 47 174.519 176.630 -2.111 1
1 546 . 1 1 1 A 47 47 LYS CA C 47 57.279 58.139 -0.860 1
1 547 . 1 1 1 A 47 47 LYS CB C 47 29.709 31.776 -2.067 1
1 551 . 1 1 1 A 47 47 LYS N N 47 127.686 122.061 5.625 1
1 552 . 1 1 1 A 48 48 ASN H H 48 10.623 7.464 3.159 1
1 553 . 1 1 1 A 48 48 ASN HA H 48 4.839 5.109 -0.270 1
1 558 . 1 1 1 A 48 48 ASN C C 48 175.138 176.184 -1.046 1
1 559 . 1 1 1 A 48 48 ASN CA C 48 50.960 52.515 -1.555 1
1 560 . 1 1 1 A 48 48 ASN CB C 48 36.975 39.807 -2.832 1
1 561 . 1 1 1 A 48 48 ASN N N 48 118.711 117.692 1.019 1
1 563 . 1 1 1 A 49 49 LEU H H 49 7.796 7.769 0.027 1
1 564 . 1 1 1 A 49 49 LEU HA H 49 4.103 4.209 -0.106 1
1 574 . 1 1 1 A 49 49 LEU C C 49 176.976 178.150 -1.174 1
1 575 . 1 1 1 A 49 49 LEU CA C 49 56.381 57.504 -1.123 1
1 576 . 1 1 1 A 49 49 LEU CB C 49 39.064 42.364 -3.300 1
1 580 . 1 1 1 A 49 49 LEU N N 49 124.676 121.374 3.302 1
1 581 . 1 1 1 A 50 50 ILE H H 50 9.052 8.070 0.982 1
1 582 . 1 1 1 A 50 50 ILE HA H 50 4.060 3.950 0.110 1
1 592 . 1 1 1 A 50 50 ILE C C 50 173.983 177.811 -3.828 1
1 593 . 1 1 1 A 50 50 ILE CA C 50 57.842 63.419 -5.577 1
1 594 . 1 1 1 A 50 50 ILE CB C 50 35.943 37.741 -1.798 1
1 598 . 1 1 1 A 50 50 ILE N N 50 116.565 119.115 -2.550 1
1 599 . 1 1 1 A 51 51 LYS H H 51 7.275 8.036 -0.761 1
1 600 . 1 1 1 A 51 51 LYS HA H 51 4.143 4.144 -0.001 1
1 609 . 1 1 1 A 51 51 LYS C C 51 175.668 178.006 -2.338 1
1 610 . 1 1 1 A 51 51 LYS CA C 51 55.696 59.670 -3.974 1
1 611 . 1 1 1 A 51 51 LYS CB C 51 29.767 32.202 -2.435 1
1 615 . 1 1 1 A 51 51 LYS N N 51 119.864 121.939 -2.075 1
1 616 . 1 1 1 A 52 52 GLU H H 52 7.590 8.053 -0.463 1
1 617 . 1 1 1 A 52 52 GLU HA H 52 4.319 4.455 -0.136 1
1 622 . 1 1 1 A 52 52 GLU C C 52 173.088 176.709 -3.621 1
1 623 . 1 1 1 A 52 52 GLU CA C 52 53.301 57.071 -3.770 1
1 624 . 1 1 1 A 52 52 GLU CB C 52 28.778 31.043 -2.265 1
1 626 . 1 1 1 A 52 52 GLU N N 52 116.453 116.978 -0.525 1
1 627 . 1 1 1 A 53 53 PHE H H 53 7.423 8.083 -0.660 1
1 628 . 1 1 1 A 53 53 PHE HA H 53 3.608 4.387 -0.779 1
1 636 . 1 1 1 A 53 53 PHE C C 53 170.946 175.501 -4.555 1
1 637 . 1 1 1 A 53 53 PHE CA C 53 57.983 59.457 -1.474 1
1 638 . 1 1 1 A 53 53 PHE CB C 53 38.913 39.745 -0.832 1
1 644 . 1 1 1 A 53 53 PHE N N 53 120.950 122.425 -1.475 1
1 645 . 1 1 1 A 54 54 LYS H H 54 8.385 8.518 -0.133 1
1 646 . 1 1 1 A 54 54 LYS HA H 54 4.268 4.196 0.072 1
1 655 . 1 1 1 A 54 54 LYS C C 54 173.038 175.342 -2.304 1
1 656 . 1 1 1 A 54 54 LYS CA C 54 55.263 57.239 -1.976 1
1 657 . 1 1 1 A 54 54 LYS CB C 54 32.730 33.891 -1.161 1
1 661 . 1 1 1 A 54 54 LYS N N 54 128.686 127.578 1.108 1
1 662 . 1 1 1 A 55 55 TYR H H 55 7.083 6.974 0.109 1
1 663 . 1 1 1 A 55 55 TYR HA H 55 4.120 4.492 -0.372 1
1 670 . 1 1 1 A 55 55 TYR C C 55 168.503 173.155 -4.652 1
1 671 . 1 1 1 A 55 55 TYR CA C 55 55.198 56.134 -0.936 1
1 672 . 1 1 1 A 55 55 TYR CB C 55 35.633 39.798 -4.165 1
1 677 . 1 1 1 A 55 55 TYR N N 55 110.963 113.086 -2.123 1
1 678 . 1 1 1 A 56 56 ALA H H 56 8.836 8.637 0.199 1
1 679 . 1 1 1 A 56 56 ALA HA H 56 5.293 5.282 0.011 1
1 683 . 1 1 1 A 56 56 ALA C C 56 172.993 175.979 -2.986 1
1 684 . 1 1 1 A 56 56 ALA CA C 56 47.088 50.759 -3.671 1
1 685 . 1 1 1 A 56 56 ALA CB C 56 20.287 22.993 -2.706 1
1 686 . 1 1 1 A 56 56 ALA N N 56 118.379 122.085 -3.706 1
1 687 . 1 1 1 A 57 57 LEU H H 57 8.880 8.780 0.100 1
1 688 . 1 1 1 A 57 57 LEU HA H 57 4.854 4.636 0.218 1
1 698 . 1 1 1 A 57 57 LEU C C 57 172.904 175.457 -2.553 1
1 699 . 1 1 1 A 57 57 LEU CA C 57 50.872 53.276 -2.404 1
1 700 . 1 1 1 A 57 57 LEU CB C 57 42.160 41.680 0.480 1
1 704 . 1 1 1 A 57 57 LEU N N 57 121.382 121.963 -0.581 1
1 705 . 1 1 1 A 58 58 VAL H H 58 8.123 7.934 0.189 1
1 706 . 1 1 1 A 58 58 VAL HA H 58 5.243 4.398 0.845 1
1 714 . 1 1 1 A 58 58 VAL C C 58 171.929 175.265 -3.336 1
1 715 . 1 1 1 A 58 58 VAL CA C 58 57.683 62.493 -4.810 1
1 716 . 1 1 1 A 58 58 VAL CB C 58 33.036 32.166 0.870 1
1 719 . 1 1 1 A 58 58 VAL N N 58 120.400 124.382 -3.982 1
1 720 . 1 1 1 A 59 59 TRP H H 59 9.316 8.613 0.703 1
1 721 . 1 1 1 A 59 59 TRP HA H 59 4.843 5.241 -0.398 1
1 730 . 1 1 1 A 59 59 TRP C C 59 173.582 176.381 -2.799 1
1 731 . 1 1 1 A 59 59 TRP CA C 59 54.736 55.337 -0.601 1
1 732 . 1 1 1 A 59 59 TRP CB C 59 30.514 31.162 -0.648 1
1 738 . 1 1 1 A 59 59 TRP N N 59 127.196 127.050 0.146 1
1 740 . 1 1 1 A 60 60 GLY H H 60 8.531 8.487 0.044 1
1 741 . 1 1 1 A 60 60 GLY HA2 H 60 4.934 4.359 0.575 1
1 742 . 1 1 1 A 60 60 GLY HA3 H 60 4.123 4.363 -0.240 1
1 743 . 1 1 1 A 60 60 GLY C C 60 171.378 174.302 -2.924 1
1 744 . 1 1 1 A 60 60 GLY CA C 60 42.587 45.529 -2.942 1
1 745 . 1 1 1 A 60 60 GLY N N 60 110.481 110.607 -0.126 1
1 746 . 1 1 1 A 61 61 LEU H H 61 8.188 8.941 -0.753 1
1 747 . 1 1 1 A 61 61 LEU HA H 61 4.141 4.043 0.098 1
1 757 . 1 1 1 A 61 61 LEU C C 61 176.897 178.799 -1.902 1
1 758 . 1 1 1 A 61 61 LEU CA C 61 54.357 57.395 -3.038 1
1 759 . 1 1 1 A 61 61 LEU CB C 61 39.942 41.373 -1.431 1
1 763 . 1 1 1 A 61 61 LEU N N 61 118.667 121.575 -2.908 1
1 764 . 1 1 1 A 62 62 SER H H 62 8.123 7.814 0.309 1
1 765 . 1 1 1 A 62 62 SER HA H 62 4.284 4.188 0.096 1
1 768 . 1 1 1 A 62 62 SER C C 62 171.932 173.897 -1.965 1
1 769 . 1 1 1 A 62 62 SER CA C 62 57.279 61.532 -4.253 1
1 770 . 1 1 1 A 62 62 SER CB C 62 60.354 63.287 -2.933 1
1 771 . 1 1 1 A 62 62 SER N N 62 110.946 113.977 -3.031 1
1 772 . 1 1 1 A 63 63 VAL H H 63 7.174 7.527 -0.353 1
1 773 . 1 1 1 A 63 63 VAL HA H 63 4.503 4.678 -0.175 1
1 781 . 1 1 1 A 63 63 VAL C C 63 173.221 175.894 -2.673 1
1 782 . 1 1 1 A 63 63 VAL CA C 63 57.573 58.963 -1.390 1
1 783 . 1 1 1 A 63 63 VAL CB C 63 31.826 34.857 -3.031 1
1 786 . 1 1 1 A 63 63 VAL N N 63 114.625 115.228 -0.603 1
1 787 . 1 1 1 A 64 64 LYS H H 64 8.112 8.675 -0.563 1
1 788 . 1 1 1 A 64 64 LYS HA H 64 4.105 4.206 -0.101 1
1 796 . 1 1 1 A 64 64 LYS C C 64 174.259 176.750 -2.491 1
1 797 . 1 1 1 A 64 64 LYS CA C 64 54.586 58.148 -3.562 1
1 798 . 1 1 1 A 64 64 LYS CB C 64 30.837 33.047 -2.210 1
1 802 . 1 1 1 A 64 64 LYS N N 64 119.722 123.015 -3.293 1
1 803 . 1 1 1 A 65 65 HIS H H 65 7.496 8.000 -0.504 1
1 804 . 1 1 1 A 65 65 HIS HA H 65 4.497 5.201 -0.704 1
1 809 . 1 1 1 A 65 65 HIS C C 65 170.028 174.405 -4.377 1
1 810 . 1 1 1 A 65 65 HIS CA C 65 52.491 54.512 -2.021 1
1 811 . 1 1 1 A 65 65 HIS CB C 65 29.149 31.326 -2.177 1
1 814 . 1 1 1 A 65 65 HIS N N 65 117.336 115.284 2.052 1
1 815 . 1 1 1 A 66 66 ASN H H 66 8.135 9.277 -1.142 1
1 816 . 1 1 1 A 66 66 ASN HA H 66 4.986 5.257 -0.271 1
1 821 . 1 1 1 A 66 66 ASN C C 66 171.088 173.149 -2.061 1
1 822 . 1 1 1 A 66 66 ASN CA C 66 47.732 50.443 -2.711 1
1 823 . 1 1 1 A 66 66 ASN CB C 66 39.365 40.182 -0.817 1
1 824 . 1 1 1 A 66 66 ASN N N 66 118.616 121.027 -2.411 1
1 826 . 1 1 1 A 67 67 PRO HA H 67 4.408 4.236 0.172 1
1 833 . 1 1 1 A 67 67 PRO C C 67 173.325 175.222 -1.897 1
1 834 . 1 1 1 A 67 67 PRO CA C 67 60.535 62.570 -2.035 1
1 835 . 1 1 1 A 67 67 PRO CB C 67 31.065 32.588 -1.523 1
1 838 . 1 1 1 A 68 68 GLN H H 68 8.323 8.366 -0.043 1
1 839 . 1 1 1 A 68 68 GLN HA H 68 4.295 4.708 -0.413 1
1 846 . 1 1 1 A 68 68 GLN C C 68 172.005 174.383 -2.378 1
1 847 . 1 1 1 A 68 68 GLN CA C 68 51.805 54.773 -2.968 1
1 848 . 1 1 1 A 68 68 GLN CB C 68 30.014 32.172 -2.158 1
1 850 . 1 1 1 A 68 68 GLN N N 68 118.089 121.587 -3.498 1
1 852 . 1 1 1 A 69 69 LYS H H 69 8.268 8.483 -0.215 1
1 853 . 1 1 1 A 69 69 LYS HA H 69 4.907 4.497 0.410 1
1 862 . 1 1 1 A 69 69 LYS C C 69 174.226 176.221 -1.995 1
1 863 . 1 1 1 A 69 69 LYS CA C 69 53.598 56.579 -2.981 1
1 864 . 1 1 1 A 69 69 LYS CB C 69 30.096 32.795 -2.699 1
1 868 . 1 1 1 A 69 69 LYS N N 69 125.766 127.863 -2.097 1
1 869 . 1 1 1 A 70 70 VAL H H 70 9.409 8.622 0.787 1
1 870 . 1 1 1 A 70 70 VAL HA H 70 4.723 4.841 -0.118 1
1 878 . 1 1 1 A 70 70 VAL C C 70 172.498 175.129 -2.631 1
1 879 . 1 1 1 A 70 70 VAL CA C 70 56.680 59.302 -2.622 1
1 880 . 1 1 1 A 70 70 VAL CB C 70 33.332 35.270 -1.938 1
1 883 . 1 1 1 A 70 70 VAL N N 70 120.660 119.812 0.848 1
1 884 . 1 1 1 A 71 71 GLY H H 71 8.445 8.662 -0.217 1
1 885 . 1 1 1 A 71 71 GLY HA2 H 71 4.961 4.236 0.725 1
1 886 . 1 1 1 A 71 71 GLY HA3 H 71 3.898 4.298 -0.400 1
1 887 . 1 1 1 A 71 71 GLY C C 71 172.669 174.864 -2.195 1
1 888 . 1 1 1 A 71 71 GLY CA C 71 40.896 44.587 -3.691 1
1 889 . 1 1 1 A 71 71 GLY N N 71 106.755 109.664 -2.909 1
1 890 . 1 1 1 A 72 72 LYS H H 72 8.573 8.847 -0.274 1
1 891 . 1 1 1 A 72 72 LYS HA H 72 3.454 4.264 -0.810 1
1 900 . 1 1 1 A 72 72 LYS C C 72 172.853 176.738 -3.885 1
1 901 . 1 1 1 A 72 72 LYS CA C 72 56.108 57.952 -1.844 1
1 902 . 1 1 1 A 72 72 LYS CB C 72 29.993 33.187 -3.194 1
1 906 . 1 1 1 A 72 72 LYS N N 72 114.685 118.063 -3.378 1
1 907 . 1 1 1 A 73 73 ASP H H 73 8.517 8.203 0.314 1
1 908 . 1 1 1 A 73 73 ASP HA H 73 4.543 4.704 -0.161 1
1 911 . 1 1 1 A 73 73 ASP C C 73 173.041 176.161 -3.120 1
1 912 . 1 1 1 A 73 73 ASP CA C 73 51.118 53.448 -2.330 1
1 913 . 1 1 1 A 73 73 ASP CB C 73 38.311 40.086 -1.775 1
1 914 . 1 1 1 A 73 73 ASP N N 73 115.449 117.358 -1.909 1
1 915 . 1 1 1 A 74 74 HIS H H 74 7.173 7.754 -0.581 1
1 916 . 1 1 1 A 74 74 HIS HA H 74 4.084 4.508 -0.424 1
1 921 . 1 1 1 A 74 74 HIS C C 74 172.466 174.702 -2.236 1
1 922 . 1 1 1 A 74 74 HIS CA C 74 55.483 57.821 -2.338 1
1 923 . 1 1 1 A 74 74 HIS CB C 74 29.868 30.637 -0.769 1
1 926 . 1 1 1 A 74 74 HIS N N 74 120.387 121.595 -1.208 1
1 927 . 1 1 1 A 75 75 THR H H 75 7.573 8.036 -0.463 1
1 928 . 1 1 1 A 75 75 THR HA H 75 3.562 4.380 -0.818 1
1 933 . 1 1 1 A 75 75 THR C C 75 170.555 173.913 -3.358 1
1 934 . 1 1 1 A 75 75 THR CA C 75 61.656 62.355 -0.699 1
1 935 . 1 1 1 A 75 75 THR CB C 75 66.449 69.471 -3.022 1
1 937 . 1 1 1 A 75 75 THR N N 75 123.519 120.212 3.307 1
1 938 . 1 1 1 A 76 76 LEU H H 76 8.300 8.723 -0.423 1
1 939 . 1 1 1 A 76 76 LEU HA H 76 4.187 4.797 -0.610 1
1 949 . 1 1 1 A 76 76 LEU C C 76 174.153 176.176 -2.023 1
1 950 . 1 1 1 A 76 76 LEU CA C 76 52.201 53.489 -1.288 1
1 951 . 1 1 1 A 76 76 LEU CB C 76 40.188 43.280 -3.092 1
1 955 . 1 1 1 A 76 76 LEU N N 76 127.705 127.263 0.442 1
1 956 . 1 1 1 A 77 77 GLU H H 77 9.006 9.142 -0.136 1
1 957 . 1 1 1 A 77 77 GLU HA H 77 4.295 4.864 -0.569 1
1 962 . 1 1 1 A 77 77 GLU C C 77 172.035 175.004 -2.969 1
1 963 . 1 1 1 A 77 77 GLU CA C 77 51.734 54.190 -2.456 1
1 964 . 1 1 1 A 77 77 GLU CB C 77 30.671 33.342 -2.671 1
1 966 . 1 1 1 A 77 77 GLU N N 77 120.330 120.016 0.314 1
1 967 . 1 1 1 A 78 78 ASP H H 78 8.375 8.602 -0.227 1
1 968 . 1 1 1 A 78 78 ASP HA H 78 4.289 4.489 -0.200 1
1 971 . 1 1 1 A 78 78 ASP C C 78 174.522 175.993 -1.471 1
1 972 . 1 1 1 A 78 78 ASP CA C 78 54.779 54.812 -0.033 1
1 973 . 1 1 1 A 78 78 ASP CB C 78 39.200 40.740 -1.540 1
1 974 . 1 1 1 A 78 78 ASP N N 78 116.751 120.489 -3.738 1
1 975 . 1 1 1 A 79 79 GLU H H 79 9.867 8.753 1.114 1
1 976 . 1 1 1 A 79 79 GLU HA H 79 3.685 4.051 -0.366 1
1 981 . 1 1 1 A 79 79 GLU C C 79 172.755 174.566 -1.811 1
1 982 . 1 1 1 A 79 79 GLU CA C 79 57.384 57.403 -0.019 1
1 983 . 1 1 1 A 79 79 GLU CB C 79 24.429 27.706 -3.277 1
1 985 . 1 1 1 A 79 79 GLU N N 79 119.409 116.743 2.666 1
1 986 . 1 1 1 A 80 80 ASP H H 80 8.212 7.452 0.760 1
1 987 . 1 1 1 A 80 80 ASP HA H 80 4.833 5.419 -0.586 1
1 990 . 1 1 1 A 80 80 ASP C C 80 171.935 174.437 -2.502 1
1 991 . 1 1 1 A 80 80 ASP CA C 80 53.900 52.870 1.030 1
1 992 . 1 1 1 A 80 80 ASP CB C 80 39.633 44.278 -4.645 1
1 993 . 1 1 1 A 80 80 ASP N N 80 121.227 118.833 2.394 1
1 994 . 1 1 1 A 81 81 VAL H H 81 8.638 9.099 -0.461 1
1 995 . 1 1 1 A 81 81 VAL HA H 81 5.055 5.285 -0.230 1
1 1003 . 1 1 1 A 81 81 VAL C C 81 172.826 174.718 -1.892 1
1 1004 . 1 1 1 A 81 81 VAL CA C 81 57.723 61.851 -4.128 1
1 1005 . 1 1 1 A 81 81 VAL CB C 81 31.767 33.543 -1.776 1
1 1008 . 1 1 1 A 81 81 VAL N N 81 118.946 125.770 -6.824 1
1 1009 . 1 1 1 A 82 82 ILE H H 82 9.007 8.963 0.044 1
1 1010 . 1 1 1 A 82 82 ILE HA H 82 5.789 4.963 0.826 1
1 1020 . 1 1 1 A 82 82 ILE C C 82 170.143 173.287 -3.144 1
1 1021 . 1 1 1 A 82 82 ILE CA C 82 55.824 59.155 -3.331 1
1 1022 . 1 1 1 A 82 82 ILE CB C 82 41.574 41.673 -0.099 1
1 1026 . 1 1 1 A 82 82 ILE N N 82 124.391 128.351 -3.960 1
1 1027 . 1 1 1 A 83 83 GLN H H 83 9.415 9.013 0.402 1
1 1028 . 1 1 1 A 83 83 GLN HA H 83 4.815 4.815 0.000 1
1 1035 . 1 1 1 A 83 83 GLN C C 83 172.719 174.528 -1.809 1
1 1036 . 1 1 1 A 83 83 GLN CA C 83 52.016 54.759 -2.743 1
1 1037 . 1 1 1 A 83 83 GLN CB C 83 32.094 30.212 1.882 1
1 1039 . 1 1 1 A 83 83 GLN N N 83 127.774 130.138 -2.364 1
1 1041 . 1 1 1 A 84 84 ILE H H 84 8.878 8.554 0.324 1
1 1042 . 1 1 1 A 84 84 ILE HA H 84 4.074 4.391 -0.317 1
1 1052 . 1 1 1 A 84 84 ILE C C 84 173.096 175.823 -2.727 1
1 1053 . 1 1 1 A 84 84 ILE CA C 84 57.372 61.543 -4.171 1
1 1054 . 1 1 1 A 84 84 ILE CB C 84 34.771 37.340 -2.569 1
1 1058 . 1 1 1 A 84 84 ILE N N 84 126.673 126.938 -0.265 1
1 1059 . 1 1 1 A 85 85 VAL H H 85 8.562 8.375 0.187 1
1 1060 . 1 1 1 A 85 85 VAL HA H 85 3.914 4.821 -0.907 1
1 1068 . 1 1 1 A 85 85 VAL C C 85 172.438 174.316 -1.878 1
1 1069 . 1 1 1 A 85 85 VAL CA C 85 60.112 59.247 0.865 1
1 1070 . 1 1 1 A 85 85 VAL CB C 85 28.964 33.072 -4.108 1
1 1073 . 1 1 1 A 85 85 VAL N N 85 130.400 123.261 7.139 1
1 1074 . 1 1 1 A 86 86 LYS H H 86 8.399 8.623 -0.224 1
1 1075 . 1 1 1 A 86 86 LYS HA H 86 4.640 4.675 -0.035 1
1 1084 . 1 1 1 A 86 86 LYS C C 86 174.388 176.536 -2.148 1
1 1085 . 1 1 1 A 86 86 LYS CA C 86 53.301 54.478 -1.177 1
1 1086 . 1 1 1 A 86 86 LYS CB C 86 32.587 35.306 -2.719 1
1 1090 . 1 1 1 A 86 86 LYS N N 86 126.582 122.993 3.589 1
1 1091 . 1 1 1 A 87 87 LYS H H 87 8.485 8.250 0.235 1
1 1092 . 1 1 1 A 87 87 LYS HA H 87 3.923 4.125 -0.202 1
1 1101 . 1 1 1 A 87 87 LYS C C 87 174.196 175.922 -1.726 1
1 1102 . 1 1 1 A 87 87 LYS CA C 87 55.171 57.554 -2.383 1
1 1103 . 1 1 1 A 87 87 LYS CB C 87 31.274 33.173 -1.899 1
1 1107 . 1 1 1 A 87 87 LYS N N 87 119.203 124.142 -4.939 1
1 1108 . 1 1 1 A 89 89 GLY HA2 H 89 4.034 4.188 -0.154 1
1 1109 . 1 1 1 A 89 89 GLY HA3 H 89 4.034 4.188 -0.154 1
1 1110 . 1 1 1 A 89 89 GLY CA C 89 42.366 45.265 -2.899 1
1 1111 . 1 1 1 A 90 90 PRO HA H 90 4.369 4.707 -0.338 1
1 1118 . 1 1 1 A 90 90 PRO CA C 90 61.070 62.771 -1.701 1
1 1119 . 1 1 1 A 90 90 PRO CB C 90 29.818 31.621 -1.803 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.759 3.698 0.061 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.759 3.890 -0.131 1
1 3 . 2 1 1 A 7 7 GLY C C 7 171.455 175.014 -3.559 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 42.980 46.222 -3.242 1
1 5 . 2 1 1 A 8 8 TYR H H 8 7.813 7.398 0.415 1
1 6 . 2 1 1 A 8 8 TYR HA H 8 4.391 4.482 -0.091 1
1 13 . 2 1 1 A 8 8 TYR C C 8 173.043 175.897 -2.854 1
1 14 . 2 1 1 A 8 8 TYR CA C 8 55.501 58.186 -2.685 1
1 15 . 2 1 1 A 8 8 TYR CB C 8 36.317 38.389 -2.072 1
1 20 . 2 1 1 A 8 8 TYR N N 8 119.411 120.044 -0.633 1
1 21 . 2 1 1 A 9 9 LEU H H 9 7.861 7.380 0.481 1
1 22 . 2 1 1 A 9 9 LEU HA H 9 4.118 4.319 -0.201 1
1 32 . 2 1 1 A 9 9 LEU C C 9 173.714 175.684 -1.970 1
1 33 . 2 1 1 A 9 9 LEU CA C 9 52.544 55.270 -2.726 1
1 34 . 2 1 1 A 9 9 LEU CB C 9 40.106 42.249 -2.143 1
1 38 . 2 1 1 A 9 9 LEU N N 9 123.594 123.162 0.432 1
1 39 . 2 1 1 A 10 10 LYS H H 10 7.976 8.683 -0.707 1
1 40 . 2 1 1 A 10 10 LYS HA H 10 4.108 4.620 -0.512 1
1 49 . 2 1 1 A 10 10 LYS C C 10 172.845 175.551 -2.706 1
1 50 . 2 1 1 A 10 10 LYS CA C 10 54.150 55.771 -1.621 1
1 51 . 2 1 1 A 10 10 LYS CB C 10 30.736 33.376 -2.640 1
1 55 . 2 1 1 A 10 10 LYS N N 10 122.047 128.368 -6.321 1
1 56 . 2 1 1 A 11 11 LEU H H 11 8.102 8.686 -0.584 1
1 57 . 2 1 1 A 11 11 LEU HA H 11 4.711 5.212 -0.501 1
1 67 . 2 1 1 A 11 11 LEU C C 11 173.849 175.787 -1.938 1
1 68 . 2 1 1 A 11 11 LEU CA C 11 51.523 53.691 -2.168 1
1 69 . 2 1 1 A 11 11 LEU CB C 11 41.767 44.609 -2.842 1
1 73 . 2 1 1 A 11 11 LEU N N 11 123.872 124.790 -0.918 1
1 74 . 2 1 1 A 12 12 VAL H H 12 8.956 8.832 0.124 1
1 75 . 2 1 1 A 12 12 VAL HA H 12 4.044 4.961 -0.917 1
1 83 . 2 1 1 A 12 12 VAL C C 12 171.356 174.744 -3.388 1
1 84 . 2 1 1 A 12 12 VAL CA C 12 59.549 59.924 -0.375 1
1 85 . 2 1 1 A 12 12 VAL CB C 12 31.500 33.802 -2.302 1
1 88 . 2 1 1 A 12 12 VAL N N 12 122.036 121.281 0.755 1
1 89 . 2 1 1 A 13 13 ARG H H 13 9.211 8.513 0.698 1
1 90 . 2 1 1 A 13 13 ARG HA H 13 4.434 4.776 -0.342 1
1 98 . 2 1 1 A 13 13 ARG C C 13 171.964 174.999 -3.035 1
1 99 . 2 1 1 A 13 13 ARG CA C 13 52.791 55.238 -2.447 1
1 100 . 2 1 1 A 13 13 ARG CB C 13 29.067 32.295 -3.228 1
1 103 . 2 1 1 A 13 13 ARG N N 13 125.178 122.988 2.190 1
1 105 . 2 1 1 A 14 14 ILE H H 14 8.811 8.462 0.349 1
1 106 . 2 1 1 A 14 14 ILE HA H 14 4.592 4.604 -0.012 1
1 116 . 2 1 1 A 14 14 ILE C C 14 173.197 174.504 -1.307 1
1 117 . 2 1 1 A 14 14 ILE CA C 14 55.308 60.156 -4.848 1
1 118 . 2 1 1 A 14 14 ILE CB C 14 36.411 40.253 -3.842 1
1 122 . 2 1 1 A 14 14 ILE N N 14 122.061 123.502 -1.441 1
1 123 . 2 1 1 A 15 15 TYR H H 15 8.781 8.803 -0.022 1
1 124 . 2 1 1 A 15 15 TYR HA H 15 5.103 4.874 0.229 1
1 131 . 2 1 1 A 15 15 TYR C C 15 172.764 175.147 -2.383 1
1 132 . 2 1 1 A 15 15 TYR CA C 15 53.740 57.348 -3.608 1
1 133 . 2 1 1 A 15 15 TYR CB C 15 37.340 37.703 -0.363 1
1 138 . 2 1 1 A 15 15 TYR N N 15 125.241 127.301 -2.060 1
1 139 . 2 1 1 A 16 16 THR H H 16 8.961 8.830 0.131 1
1 140 . 2 1 1 A 16 16 THR HA H 16 4.806 4.691 0.115 1
1 145 . 2 1 1 A 16 16 THR C C 16 171.478 173.240 -1.762 1
1 146 . 2 1 1 A 16 16 THR CA C 16 59.180 62.788 -3.608 1
1 147 . 2 1 1 A 16 16 THR CB C 16 68.174 69.844 -1.670 1
1 149 . 2 1 1 A 16 16 THR N N 16 116.007 120.595 -4.588 1
1 150 . 2 1 1 A 17 17 LYS H H 17 8.397 8.622 -0.225 1
1 151 . 2 1 1 A 17 17 LYS HA H 17 4.446 4.834 -0.388 1
1 160 . 2 1 1 A 17 17 LYS C C 17 170.870 175.374 -4.504 1
1 161 . 2 1 1 A 17 17 LYS CA C 17 50.238 52.830 -2.592 1
1 162 . 2 1 1 A 17 17 LYS CB C 17 32.677 34.041 -1.364 1
1 166 . 2 1 1 A 17 17 LYS N N 17 125.122 128.895 -3.773 1
1 167 . 2 1 1 A 18 18 PRO HA H 18 4.474 4.720 -0.246 1
1 174 . 2 1 1 A 18 18 PRO C C 18 174.170 176.437 -2.267 1
1 175 . 2 1 1 A 18 18 PRO CA C 18 59.250 62.208 -2.958 1
1 176 . 2 1 1 A 18 18 PRO CB C 18 29.517 33.032 -3.515 1
1 179 . 2 1 1 A 19 19 LYS H H 19 8.467 8.399 0.068 1
1 180 . 2 1 1 A 19 19 LYS HA H 19 3.887 4.491 -0.604 1
1 187 . 2 1 1 A 19 19 LYS C C 19 175.944 176.924 -0.980 1
1 188 . 2 1 1 A 19 19 LYS CA C 19 55.732 55.472 0.260 1
1 189 . 2 1 1 A 19 19 LYS CB C 19 29.818 33.614 -3.796 1
1 193 . 2 1 1 A 19 19 LYS N N 19 121.921 118.261 3.660 1
1 194 . 2 1 1 A 20 20 GLY HA2 H 20 3.958 3.973 -0.015 1
1 195 . 2 1 1 A 20 20 GLY HA3 H 20 3.676 3.973 -0.297 1
1 196 . 2 1 1 A 20 20 GLY C C 20 171.329 173.746 -2.417 1
1 197 . 2 1 1 A 20 20 GLY CA C 20 43.304 45.080 -1.776 1
1 198 . 2 1 1 A 21 21 GLN H H 21 7.553 7.866 -0.313 1
1 199 . 2 1 1 A 21 21 GLN HA H 21 4.581 4.733 -0.152 1
1 206 . 2 1 1 A 21 21 GLN C C 21 172.091 174.962 -2.871 1
1 207 . 2 1 1 A 21 21 GLN CA C 21 51.330 54.178 -2.848 1
1 208 . 2 1 1 A 21 21 GLN CB C 21 29.767 31.165 -1.398 1
1 210 . 2 1 1 A 21 21 GLN N N 21 117.269 119.217 -1.948 1
1 212 . 2 1 1 A 22 22 LEU H H 22 8.048 8.689 -0.641 1
1 213 . 2 1 1 A 22 22 LEU HA H 22 4.292 4.714 -0.422 1
1 223 . 2 1 1 A 22 22 LEU C C 22 171.986 174.750 -2.764 1
1 224 . 2 1 1 A 22 22 LEU CA C 22 50.950 52.722 -1.772 1
1 225 . 2 1 1 A 22 22 LEU CB C 22 38.362 41.067 -2.705 1
1 229 . 2 1 1 A 22 22 LEU N N 22 119.689 122.458 -2.769 1
1 230 . 2 1 1 A 23 23 PRO HA H 23 4.196 4.534 -0.338 1
1 237 . 2 1 1 A 23 23 PRO C C 23 172.331 176.430 -4.099 1
1 238 . 2 1 1 A 23 23 PRO CA C 23 59.882 62.446 -2.564 1
1 239 . 2 1 1 A 23 23 PRO CB C 23 28.948 31.891 -2.943 1
1 242 . 2 1 1 A 24 24 ASP H H 24 8.191 7.870 0.321 1
1 243 . 2 1 1 A 24 24 ASP HA H 24 4.649 4.546 0.103 1
1 246 . 2 1 1 A 24 24 ASP C C 24 175.312 175.844 -0.532 1
1 247 . 2 1 1 A 24 24 ASP CA C 24 49.710 54.538 -4.828 1
1 248 . 2 1 1 A 24 24 ASP CB C 24 37.229 40.856 -3.627 1
1 249 . 2 1 1 A 24 24 ASP N N 24 118.307 122.294 -3.987 1
1 250 . 2 1 1 A 25 25 TYR H H 25 8.171 8.771 -0.600 1
1 251 . 2 1 1 A 25 25 TYR HA H 25 4.173 4.630 -0.457 1
1 258 . 2 1 1 A 25 25 TYR C C 25 173.720 176.252 -2.532 1
1 259 . 2 1 1 A 25 25 TYR CA C 25 57.297 58.111 -0.814 1
1 260 . 2 1 1 A 25 25 TYR CB C 25 34.897 39.719 -4.822 1
1 265 . 2 1 1 A 25 25 TYR N N 25 123.576 122.075 1.501 1
1 266 . 2 1 1 A 26 26 THR H H 26 8.278 7.971 0.307 1
1 267 . 2 1 1 A 26 26 THR HA H 26 4.343 4.499 -0.156 1
1 272 . 2 1 1 A 26 26 THR C C 26 173.145 174.890 -1.745 1
1 273 . 2 1 1 A 26 26 THR CA C 26 60.799 64.058 -3.259 1
1 274 . 2 1 1 A 26 26 THR CB C 26 67.379 69.932 -2.553 1
1 276 . 2 1 1 A 26 26 THR N N 26 109.145 114.984 -5.839 1
1 277 . 2 1 1 A 27 27 SER H H 27 7.085 7.922 -0.837 1
1 278 . 2 1 1 A 27 27 SER HA H 27 5.002 4.886 0.116 1
1 281 . 2 1 1 A 27 27 SER C C 27 169.729 172.398 -2.669 1
1 282 . 2 1 1 A 27 27 SER CA C 27 52.526 55.944 -3.418 1
1 283 . 2 1 1 A 27 27 SER CB C 27 61.215 63.519 -2.304 1
1 284 . 2 1 1 A 27 27 SER N N 27 114.134 115.689 -1.555 1
1 285 . 2 1 1 A 28 28 PRO HA H 28 4.553 4.681 -0.128 1
1 292 . 2 1 1 A 28 28 PRO C C 28 174.448 175.710 -1.262 1
1 293 . 2 1 1 A 28 28 PRO CA C 28 60.482 62.537 -2.055 1
1 294 . 2 1 1 A 28 28 PRO CB C 28 29.224 32.962 -3.738 1
1 297 . 2 1 1 A 29 29 VAL H H 29 9.191 8.058 1.133 1
1 298 . 2 1 1 A 29 29 VAL HA H 29 3.946 4.432 -0.486 1
1 306 . 2 1 1 A 29 29 VAL C C 29 172.641 174.179 -1.538 1
1 307 . 2 1 1 A 29 29 VAL CA C 29 60.367 60.858 -0.491 1
1 308 . 2 1 1 A 29 29 VAL CB C 29 30.546 33.452 -2.906 1
1 311 . 2 1 1 A 29 29 VAL N N 29 123.735 121.332 2.403 1
1 312 . 2 1 1 A 30 30 VAL H H 30 8.169 8.727 -0.558 1
1 313 . 2 1 1 A 30 30 VAL HA H 30 4.940 4.409 0.531 1
1 321 . 2 1 1 A 30 30 VAL C C 30 173.560 175.438 -1.878 1
1 322 . 2 1 1 A 30 30 VAL CA C 30 58.568 62.731 -4.163 1
1 323 . 2 1 1 A 30 30 VAL CB C 30 30.303 31.346 -1.043 1
1 326 . 2 1 1 A 30 30 VAL N N 30 125.255 130.481 -5.226 1
1 327 . 2 1 1 A 31 31 LEU H H 31 8.889 8.526 0.363 1
1 328 . 2 1 1 A 31 31 LEU HA H 31 4.816 4.747 0.069 1
1 338 . 2 1 1 A 31 31 LEU C C 31 171.113 174.755 -3.642 1
1 339 . 2 1 1 A 31 31 LEU CA C 31 48.760 52.250 -3.490 1
1 340 . 2 1 1 A 31 31 LEU CB C 31 40.938 42.455 -1.517 1
1 344 . 2 1 1 A 31 31 LEU N N 31 127.017 128.618 -1.601 1
1 345 . 2 1 1 A 32 32 PRO HA H 32 4.531 4.726 -0.195 1
1 352 . 2 1 1 A 32 32 PRO C C 32 174.294 177.573 -3.279 1
1 353 . 2 1 1 A 32 32 PRO CA C 32 59.648 62.822 -3.174 1
1 354 . 2 1 1 A 32 32 PRO CB C 32 29.349 31.715 -2.366 1
1 357 . 2 1 1 A 33 33 TYR H H 33 8.105 8.688 -0.583 1
1 358 . 2 1 1 A 33 33 TYR HA H 33 3.788 4.006 -0.218 1
1 365 . 2 1 1 A 33 33 TYR C C 33 173.470 177.156 -3.686 1
1 366 . 2 1 1 A 33 33 TYR CA C 33 58.159 62.327 -4.168 1
1 367 . 2 1 1 A 33 33 TYR CB C 33 36.244 39.169 -2.925 1
1 372 . 2 1 1 A 33 33 TYR N N 33 120.060 126.503 -6.443 1
1 373 . 2 1 1 A 34 34 SER H H 34 7.868 8.376 -0.508 1
1 374 . 2 1 1 A 34 34 SER HA H 34 3.814 4.329 -0.515 1
1 377 . 2 1 1 A 34 34 SER C C 34 171.946 173.902 -1.956 1
1 378 . 2 1 1 A 34 34 SER CA C 34 58.212 61.336 -3.124 1
1 379 . 2 1 1 A 34 34 SER CB C 34 60.928 63.156 -2.228 1
1 380 . 2 1 1 A 34 34 SER N N 34 116.733 114.544 2.189 1
1 381 . 2 1 1 A 35 35 ARG H H 35 7.883 7.950 -0.067 1
1 382 . 2 1 1 A 35 35 ARG HA H 35 4.575 4.744 -0.169 1
1 389 . 2 1 1 A 35 35 ARG C C 35 172.091 174.718 -2.627 1
1 390 . 2 1 1 A 35 35 ARG CA C 35 52.067 54.856 -2.789 1
1 391 . 2 1 1 A 35 35 ARG CB C 35 28.228 31.572 -3.344 1
1 394 . 2 1 1 A 35 35 ARG N N 35 125.492 119.341 6.151 1
1 395 . 2 1 1 A 36 36 THR H H 36 7.874 8.726 -0.852 1
1 396 . 2 1 1 A 36 36 THR HA H 36 4.613 5.236 -0.623 1
1 401 . 2 1 1 A 36 36 THR C C 36 173.095 173.502 -0.407 1
1 402 . 2 1 1 A 36 36 THR CA C 36 57.029 60.520 -3.491 1
1 403 . 2 1 1 A 36 36 THR CB C 36 66.113 70.833 -4.720 1
1 405 . 2 1 1 A 36 36 THR N N 36 107.510 114.771 -7.261 1
1 406 . 2 1 1 A 37 37 THR H H 37 8.804 8.499 0.305 1
1 407 . 2 1 1 A 37 37 THR HA H 37 5.288 4.617 0.671 1
1 412 . 2 1 1 A 37 37 THR C C 37 174.234 174.295 -0.061 1
1 413 . 2 1 1 A 37 37 THR CA C 37 59.681 60.974 -1.293 1
1 414 . 2 1 1 A 37 37 THR CB C 37 70.032 71.276 -1.244 1
1 416 . 2 1 1 A 37 37 THR N N 37 112.714 116.817 -4.103 1
1 417 . 2 1 1 A 38 38 VAL H H 38 8.269 8.935 -0.666 1
1 418 . 2 1 1 A 38 38 VAL HA H 38 3.485 3.594 -0.109 1
1 426 . 2 1 1 A 38 38 VAL C C 38 175.909 177.283 -1.374 1
1 427 . 2 1 1 A 38 38 VAL CA C 38 64.496 66.826 -2.330 1
1 428 . 2 1 1 A 38 38 VAL CB C 38 29.015 31.468 -2.453 1
1 431 . 2 1 1 A 38 38 VAL N N 38 121.372 122.674 -1.302 1
1 432 . 2 1 1 A 39 39 GLU H H 39 8.597 7.815 0.782 1
1 433 . 2 1 1 A 39 39 GLU HA H 39 3.495 3.867 -0.372 1
1 438 . 2 1 1 A 39 39 GLU C C 39 174.769 178.600 -3.831 1
1 439 . 2 1 1 A 39 39 GLU CA C 39 58.418 59.139 -0.721 1
1 440 . 2 1 1 A 39 39 GLU CB C 39 27.358 29.106 -1.748 1
1 442 . 2 1 1 A 39 39 GLU N N 39 121.954 119.127 2.827 1
1 443 . 2 1 1 A 40 40 ASP H H 40 7.493 8.469 -0.976 1
1 444 . 2 1 1 A 40 40 ASP HA H 40 4.071 4.262 -0.191 1
1 447 . 2 1 1 A 40 40 ASP C C 40 176.738 178.943 -2.205 1
1 448 . 2 1 1 A 40 40 ASP CA C 40 55.877 57.126 -1.249 1
1 449 . 2 1 1 A 40 40 ASP CB C 40 38.721 40.480 -1.759 1
1 450 . 2 1 1 A 40 40 ASP N N 40 119.054 120.416 -1.362 1
1 451 . 2 1 1 A 41 41 PHE H H 41 8.429 8.048 0.381 1
1 452 . 2 1 1 A 41 41 PHE HA H 41 3.750 4.083 -0.333 1
1 460 . 2 1 1 A 41 41 PHE C C 41 173.786 177.262 -3.476 1
1 461 . 2 1 1 A 41 41 PHE CA C 41 59.851 60.831 -0.980 1
1 462 . 2 1 1 A 41 41 PHE CB C 41 36.135 39.211 -3.076 1
1 468 . 2 1 1 A 41 41 PHE N N 41 121.017 121.899 -0.882 1
1 469 . 2 1 1 A 42 42 CYS H H 42 8.527 8.012 0.515 1
1 470 . 2 1 1 A 42 42 CYS HA H 42 3.752 4.217 -0.465 1
1 473 . 2 1 1 A 42 42 CYS C C 42 174.065 177.500 -3.435 1
1 474 . 2 1 1 A 42 42 CYS CA C 42 62.453 62.704 -0.251 1
1 475 . 2 1 1 A 42 42 CYS CB C 42 24.429 26.889 -2.460 1
1 476 . 2 1 1 A 42 42 CYS N N 42 116.390 117.149 -0.759 1
1 477 . 2 1 1 A 43 43 MET H H 43 7.739 7.955 -0.216 1
1 478 . 2 1 1 A 43 43 MET HA H 43 3.885 4.125 -0.240 1
1 486 . 2 1 1 A 43 43 MET C C 43 175.345 178.657 -3.312 1
1 487 . 2 1 1 A 43 43 MET CA C 43 54.460 58.401 -3.941 1
1 488 . 2 1 1 A 43 43 MET CB C 43 28.872 32.702 -3.830 1
1 491 . 2 1 1 A 43 43 MET N N 43 114.377 119.583 -5.206 1
1 492 . 2 1 1 A 44 44 LYS H H 44 7.257 7.545 -0.288 1
1 493 . 2 1 1 A 44 44 LYS HA H 44 3.896 3.925 -0.029 1
1 502 . 2 1 1 A 44 44 LYS C C 44 175.198 178.657 -3.459 1
1 503 . 2 1 1 A 44 44 LYS CA C 44 54.181 58.864 -4.683 1
1 504 . 2 1 1 A 44 44 LYS CB C 44 29.291 32.532 -3.241 1
1 508 . 2 1 1 A 44 44 LYS N N 44 117.480 118.382 -0.902 1
1 509 . 2 1 1 A 45 45 ILE H H 45 7.146 6.919 0.227 1
1 510 . 2 1 1 A 45 45 ILE HA H 45 3.697 3.941 -0.244 1
1 520 . 2 1 1 A 45 45 ILE C C 45 174.894 176.185 -1.291 1
1 521 . 2 1 1 A 45 45 ILE CA C 45 59.954 63.707 -3.753 1
1 522 . 2 1 1 A 45 45 ILE CB C 45 33.943 38.621 -4.678 1
1 526 . 2 1 1 A 45 45 ILE N N 45 119.267 117.466 1.801 1
1 527 . 2 1 1 A 46 46 HIS H H 46 7.982 8.034 -0.052 1
1 528 . 2 1 1 A 46 46 HIS HA H 46 4.200 4.831 -0.631 1
1 533 . 2 1 1 A 46 46 HIS C C 46 173.349 174.971 -1.622 1
1 534 . 2 1 1 A 46 46 HIS CA C 46 56.363 55.668 0.695 1
1 535 . 2 1 1 A 46 46 HIS CB C 46 30.998 32.807 -1.809 1
1 538 . 2 1 1 A 46 46 HIS N N 46 116.498 117.179 -0.681 1
1 539 . 2 1 1 A 47 47 LYS H H 47 8.478 8.622 -0.144 1
1 540 . 2 1 1 A 47 47 LYS HA H 47 4.091 3.863 0.228 1
1 545 . 2 1 1 A 47 47 LYS C C 47 174.519 177.483 -2.964 1
1 546 . 2 1 1 A 47 47 LYS CA C 47 57.279 58.411 -1.132 1
1 547 . 2 1 1 A 47 47 LYS CB C 47 29.709 32.442 -2.733 1
1 551 . 2 1 1 A 47 47 LYS N N 47 127.686 125.169 2.517 1
1 552 . 2 1 1 A 48 48 ASN H H 48 10.623 7.651 2.972 1
1 553 . 2 1 1 A 48 48 ASN HA H 48 4.839 5.160 -0.321 1
1 558 . 2 1 1 A 48 48 ASN C C 48 175.138 175.981 -0.843 1
1 559 . 2 1 1 A 48 48 ASN CA C 48 50.960 52.680 -1.720 1
1 560 . 2 1 1 A 48 48 ASN CB C 48 36.975 39.373 -2.398 1
1 561 . 2 1 1 A 48 48 ASN N N 48 118.711 116.116 2.595 1
1 563 . 2 1 1 A 49 49 LEU H H 49 7.796 7.719 0.077 1
1 564 . 2 1 1 A 49 49 LEU HA H 49 4.103 4.317 -0.214 1
1 574 . 2 1 1 A 49 49 LEU C C 49 176.976 178.169 -1.193 1
1 575 . 2 1 1 A 49 49 LEU CA C 49 56.381 57.126 -0.745 1
1 576 . 2 1 1 A 49 49 LEU CB C 49 39.064 42.905 -3.841 1
1 580 . 2 1 1 A 49 49 LEU N N 49 124.676 120.834 3.842 1
1 581 . 2 1 1 A 50 50 ILE H H 50 9.052 8.222 0.830 1
1 582 . 2 1 1 A 50 50 ILE HA H 50 4.060 3.916 0.144 1
1 592 . 2 1 1 A 50 50 ILE C C 50 173.983 177.880 -3.897 1
1 593 . 2 1 1 A 50 50 ILE CA C 50 57.842 63.176 -5.334 1
1 594 . 2 1 1 A 50 50 ILE CB C 50 35.943 37.324 -1.381 1
1 598 . 2 1 1 A 50 50 ILE N N 50 116.565 119.810 -3.245 1
1 599 . 2 1 1 A 51 51 LYS H H 51 7.275 7.945 -0.670 1
1 600 . 2 1 1 A 51 51 LYS HA H 51 4.143 4.045 0.098 1
1 609 . 2 1 1 A 51 51 LYS C C 51 175.668 178.241 -2.573 1
1 610 . 2 1 1 A 51 51 LYS CA C 51 55.696 59.969 -4.273 1
1 611 . 2 1 1 A 51 51 LYS CB C 51 29.767 32.191 -2.424 1
1 615 . 2 1 1 A 51 51 LYS N N 51 119.864 122.640 -2.776 1
1 616 . 2 1 1 A 52 52 GLU H H 52 7.590 7.360 0.230 1
1 617 . 2 1 1 A 52 52 GLU HA H 52 4.319 4.435 -0.116 1
1 622 . 2 1 1 A 52 52 GLU C C 52 173.088 176.594 -3.506 1
1 623 . 2 1 1 A 52 52 GLU CA C 52 53.301 56.676 -3.375 1
1 624 . 2 1 1 A 52 52 GLU CB C 52 28.778 30.547 -1.769 1
1 626 . 2 1 1 A 52 52 GLU N N 52 116.453 116.429 0.024 1
1 627 . 2 1 1 A 53 53 PHE H H 53 7.423 7.682 -0.259 1
1 628 . 2 1 1 A 53 53 PHE HA H 53 3.608 4.460 -0.852 1
1 636 . 2 1 1 A 53 53 PHE C C 53 170.946 175.515 -4.569 1
1 637 . 2 1 1 A 53 53 PHE CA C 53 57.983 59.237 -1.254 1
1 638 . 2 1 1 A 53 53 PHE CB C 53 38.913 40.027 -1.114 1
1 644 . 2 1 1 A 53 53 PHE N N 53 120.950 123.387 -2.437 1
1 645 . 2 1 1 A 54 54 LYS H H 54 8.385 8.996 -0.611 1
1 646 . 2 1 1 A 54 54 LYS HA H 54 4.268 4.091 0.177 1
1 655 . 2 1 1 A 54 54 LYS C C 54 173.038 175.216 -2.178 1
1 656 . 2 1 1 A 54 54 LYS CA C 54 55.263 57.395 -2.132 1
1 657 . 2 1 1 A 54 54 LYS CB C 54 32.730 33.673 -0.943 1
1 661 . 2 1 1 A 54 54 LYS N N 54 128.686 126.998 1.688 1
1 662 . 2 1 1 A 55 55 TYR H H 55 7.083 6.600 0.483 1
1 663 . 2 1 1 A 55 55 TYR HA H 55 4.120 4.616 -0.496 1
1 670 . 2 1 1 A 55 55 TYR C C 55 168.503 173.007 -4.504 1
1 671 . 2 1 1 A 55 55 TYR CA C 55 55.198 55.829 -0.631 1
1 672 . 2 1 1 A 55 55 TYR CB C 55 35.633 40.455 -4.822 1
1 677 . 2 1 1 A 55 55 TYR N N 55 110.963 112.873 -1.910 1
1 678 . 2 1 1 A 56 56 ALA H H 56 8.836 8.710 0.126 1
1 679 . 2 1 1 A 56 56 ALA HA H 56 5.293 5.653 -0.360 1
1 683 . 2 1 1 A 56 56 ALA C C 56 172.993 175.999 -3.006 1
1 684 . 2 1 1 A 56 56 ALA CA C 56 47.088 50.724 -3.636 1
1 685 . 2 1 1 A 56 56 ALA CB C 56 20.287 22.702 -2.415 1
1 686 . 2 1 1 A 56 56 ALA N N 56 118.379 122.045 -3.666 1
1 687 . 2 1 1 A 57 57 LEU H H 57 8.880 8.845 0.035 1
1 688 . 2 1 1 A 57 57 LEU HA H 57 4.854 4.901 -0.047 1
1 698 . 2 1 1 A 57 57 LEU C C 57 172.904 175.354 -2.450 1
1 699 . 2 1 1 A 57 57 LEU CA C 57 50.872 53.361 -2.489 1
1 700 . 2 1 1 A 57 57 LEU CB C 57 42.160 41.607 0.553 1
1 704 . 2 1 1 A 57 57 LEU N N 57 121.382 122.825 -1.443 1
1 705 . 2 1 1 A 58 58 VAL H H 58 8.123 8.061 0.062 1
1 706 . 2 1 1 A 58 58 VAL HA H 58 5.243 4.352 0.891 1
1 714 . 2 1 1 A 58 58 VAL C C 58 171.929 175.577 -3.648 1
1 715 . 2 1 1 A 58 58 VAL CA C 58 57.683 62.547 -4.864 1
1 716 . 2 1 1 A 58 58 VAL CB C 58 33.036 32.025 1.011 1
1 719 . 2 1 1 A 58 58 VAL N N 58 120.400 125.004 -4.604 1
1 720 . 2 1 1 A 59 59 TRP H H 59 9.316 8.720 0.596 1
1 721 . 2 1 1 A 59 59 TRP HA H 59 4.843 5.018 -0.175 1
1 730 . 2 1 1 A 59 59 TRP C C 59 173.582 176.188 -2.606 1
1 731 . 2 1 1 A 59 59 TRP CA C 59 54.736 57.279 -2.543 1
1 732 . 2 1 1 A 59 59 TRP CB C 59 30.514 29.732 0.782 1
1 738 . 2 1 1 A 59 59 TRP N N 59 127.196 128.292 -1.096 1
1 740 . 2 1 1 A 60 60 GLY H H 60 8.531 8.417 0.114 1
1 741 . 2 1 1 A 60 60 GLY HA2 H 60 4.934 4.234 0.700 1
1 742 . 2 1 1 A 60 60 GLY HA3 H 60 4.123 4.253 -0.130 1
1 743 . 2 1 1 A 60 60 GLY C C 60 171.378 175.144 -3.766 1
1 744 . 2 1 1 A 60 60 GLY CA C 60 42.587 43.872 -1.285 1
1 745 . 2 1 1 A 60 60 GLY N N 60 110.481 108.693 1.788 1
1 746 . 2 1 1 A 61 61 LEU H H 61 8.188 8.706 -0.518 1
1 747 . 2 1 1 A 61 61 LEU HA H 61 4.141 4.061 0.080 1
1 757 . 2 1 1 A 61 61 LEU C C 61 176.897 178.796 -1.899 1
1 758 . 2 1 1 A 61 61 LEU CA C 61 54.357 56.803 -2.446 1
1 759 . 2 1 1 A 61 61 LEU CB C 61 39.942 41.547 -1.605 1
1 763 . 2 1 1 A 61 61 LEU N N 61 118.667 120.028 -1.361 1
1 764 . 2 1 1 A 62 62 SER H H 62 8.123 7.827 0.296 1
1 765 . 2 1 1 A 62 62 SER HA H 62 4.284 4.332 -0.048 1
1 768 . 2 1 1 A 62 62 SER C C 62 171.932 174.085 -2.153 1
1 769 . 2 1 1 A 62 62 SER CA C 62 57.279 60.384 -3.105 1
1 770 . 2 1 1 A 62 62 SER CB C 62 60.354 63.114 -2.760 1
1 771 . 2 1 1 A 62 62 SER N N 62 110.946 112.102 -1.156 1
1 772 . 2 1 1 A 63 63 VAL H H 63 7.174 7.090 0.084 1
1 773 . 2 1 1 A 63 63 VAL HA H 63 4.503 4.688 -0.185 1
1 781 . 2 1 1 A 63 63 VAL C C 63 173.221 175.096 -1.875 1
1 782 . 2 1 1 A 63 63 VAL CA C 63 57.573 58.822 -1.249 1
1 783 . 2 1 1 A 63 63 VAL CB C 63 31.826 34.765 -2.939 1
1 786 . 2 1 1 A 63 63 VAL N N 63 114.625 116.777 -2.152 1
1 787 . 2 1 1 A 64 64 LYS H H 64 8.112 8.801 -0.689 1
1 788 . 2 1 1 A 64 64 LYS HA H 64 4.105 4.181 -0.076 1
1 796 . 2 1 1 A 64 64 LYS C C 64 174.259 176.463 -2.204 1
1 797 . 2 1 1 A 64 64 LYS CA C 64 54.586 57.329 -2.743 1
1 798 . 2 1 1 A 64 64 LYS CB C 64 30.837 32.963 -2.126 1
1 802 . 2 1 1 A 64 64 LYS N N 64 119.722 120.914 -1.192 1
1 803 . 2 1 1 A 65 65 HIS H H 65 7.496 7.105 0.391 1
1 804 . 2 1 1 A 65 65 HIS HA H 65 4.497 5.203 -0.706 1
1 809 . 2 1 1 A 65 65 HIS C C 65 170.028 174.344 -4.316 1
1 810 . 2 1 1 A 65 65 HIS CA C 65 52.491 54.885 -2.394 1
1 811 . 2 1 1 A 65 65 HIS CB C 65 29.149 32.523 -3.374 1
1 814 . 2 1 1 A 65 65 HIS N N 65 117.336 115.295 2.041 1
1 815 . 2 1 1 A 66 66 ASN H H 66 8.135 9.208 -1.073 1
1 816 . 2 1 1 A 66 66 ASN HA H 66 4.986 5.104 -0.118 1
1 821 . 2 1 1 A 66 66 ASN C C 66 171.088 172.980 -1.892 1
1 822 . 2 1 1 A 66 66 ASN CA C 66 47.732 50.503 -2.771 1
1 823 . 2 1 1 A 66 66 ASN CB C 66 39.365 40.374 -1.009 1
1 824 . 2 1 1 A 66 66 ASN N N 66 118.616 121.666 -3.050 1
1 826 . 2 1 1 A 67 67 PRO HA H 67 4.408 4.228 0.180 1
1 833 . 2 1 1 A 67 67 PRO C C 67 173.325 175.688 -2.363 1
1 834 . 2 1 1 A 67 67 PRO CA C 67 60.535 62.813 -2.278 1
1 835 . 2 1 1 A 67 67 PRO CB C 67 31.065 31.932 -0.867 1
1 838 . 2 1 1 A 68 68 GLN H H 68 8.323 8.236 0.087 1
1 839 . 2 1 1 A 68 68 GLN HA H 68 4.295 4.565 -0.270 1
1 846 . 2 1 1 A 68 68 GLN C C 68 172.005 174.956 -2.951 1
1 847 . 2 1 1 A 68 68 GLN CA C 68 51.805 54.904 -3.099 1
1 848 . 2 1 1 A 68 68 GLN CB C 68 30.014 31.122 -1.108 1
1 850 . 2 1 1 A 68 68 GLN N N 68 118.089 121.445 -3.356 1
1 852 . 2 1 1 A 69 69 LYS H H 69 8.268 8.638 -0.370 1
1 853 . 2 1 1 A 69 69 LYS HA H 69 4.907 4.489 0.418 1
1 862 . 2 1 1 A 69 69 LYS C C 69 174.226 176.209 -1.983 1
1 863 . 2 1 1 A 69 69 LYS CA C 69 53.598 56.002 -2.404 1
1 864 . 2 1 1 A 69 69 LYS CB C 69 30.096 32.987 -2.891 1
1 868 . 2 1 1 A 69 69 LYS N N 69 125.766 127.395 -1.629 1
1 869 . 2 1 1 A 70 70 VAL H H 70 9.409 8.846 0.563 1
1 870 . 2 1 1 A 70 70 VAL HA H 70 4.723 4.962 -0.239 1
1 878 . 2 1 1 A 70 70 VAL C C 70 172.498 175.969 -3.471 1
1 879 . 2 1 1 A 70 70 VAL CA C 70 56.680 59.822 -3.142 1
1 880 . 2 1 1 A 70 70 VAL CB C 70 33.332 34.664 -1.332 1
1 883 . 2 1 1 A 70 70 VAL N N 70 120.660 120.795 -0.135 1
1 884 . 2 1 1 A 71 71 GLY H H 71 8.445 8.513 -0.068 1
1 885 . 2 1 1 A 71 71 GLY HA2 H 71 4.961 4.266 0.695 1
1 886 . 2 1 1 A 71 71 GLY HA3 H 71 3.898 4.325 -0.427 1
1 887 . 2 1 1 A 71 71 GLY C C 71 172.669 174.905 -2.236 1
1 888 . 2 1 1 A 71 71 GLY CA C 71 40.896 44.555 -3.659 1
1 889 . 2 1 1 A 71 71 GLY N N 71 106.755 109.852 -3.097 1
1 890 . 2 1 1 A 72 72 LYS H H 72 8.573 8.907 -0.334 1
1 891 . 2 1 1 A 72 72 LYS HA H 72 3.454 4.207 -0.753 1
1 900 . 2 1 1 A 72 72 LYS C C 72 172.853 178.008 -5.155 1
1 901 . 2 1 1 A 72 72 LYS CA C 72 56.108 57.938 -1.830 1
1 902 . 2 1 1 A 72 72 LYS CB C 72 29.993 33.382 -3.389 1
1 906 . 2 1 1 A 72 72 LYS N N 72 114.685 117.986 -3.301 1
1 907 . 2 1 1 A 73 73 ASP H H 73 8.517 7.983 0.534 1
1 908 . 2 1 1 A 73 73 ASP HA H 73 4.543 4.674 -0.131 1
1 911 . 2 1 1 A 73 73 ASP C C 73 173.041 176.353 -3.312 1
1 912 . 2 1 1 A 73 73 ASP CA C 73 51.118 55.788 -4.670 1
1 913 . 2 1 1 A 73 73 ASP CB C 73 38.311 41.488 -3.177 1
1 914 . 2 1 1 A 73 73 ASP N N 73 115.449 119.778 -4.329 1
1 915 . 2 1 1 A 74 74 HIS H H 74 7.173 7.675 -0.502 1
1 916 . 2 1 1 A 74 74 HIS HA H 74 4.084 4.370 -0.286 1
1 921 . 2 1 1 A 74 74 HIS C C 74 172.466 175.260 -2.794 1
1 922 . 2 1 1 A 74 74 HIS CA C 74 55.483 57.141 -1.658 1
1 923 . 2 1 1 A 74 74 HIS CB C 74 29.868 30.205 -0.337 1
1 926 . 2 1 1 A 74 74 HIS N N 74 120.387 119.908 0.479 1
1 927 . 2 1 1 A 75 75 THR H H 75 7.573 8.328 -0.755 1
1 928 . 2 1 1 A 75 75 THR HA H 75 3.562 4.135 -0.573 1
1 933 . 2 1 1 A 75 75 THR C C 75 170.555 173.889 -3.334 1
1 934 . 2 1 1 A 75 75 THR CA C 75 61.656 63.070 -1.414 1
1 935 . 2 1 1 A 75 75 THR CB C 75 66.449 69.158 -2.709 1
1 937 . 2 1 1 A 75 75 THR N N 75 123.519 121.167 2.352 1
1 938 . 2 1 1 A 76 76 LEU H H 76 8.300 8.382 -0.082 1
1 939 . 2 1 1 A 76 76 LEU HA H 76 4.187 4.690 -0.503 1
1 949 . 2 1 1 A 76 76 LEU C C 76 174.153 176.302 -2.149 1
1 950 . 2 1 1 A 76 76 LEU CA C 76 52.201 53.802 -1.601 1
1 951 . 2 1 1 A 76 76 LEU CB C 76 40.188 43.008 -2.820 1
1 955 . 2 1 1 A 76 76 LEU N N 76 127.705 127.314 0.391 1
1 956 . 2 1 1 A 77 77 GLU H H 77 9.006 8.955 0.051 1
1 957 . 2 1 1 A 77 77 GLU HA H 77 4.295 4.812 -0.517 1
1 962 . 2 1 1 A 77 77 GLU C C 77 172.035 175.154 -3.119 1
1 963 . 2 1 1 A 77 77 GLU CA C 77 51.734 54.380 -2.646 1
1 964 . 2 1 1 A 77 77 GLU CB C 77 30.671 32.763 -2.092 1
1 966 . 2 1 1 A 77 77 GLU N N 77 120.330 121.655 -1.325 1
1 967 . 2 1 1 A 78 78 ASP H H 78 8.375 8.725 -0.350 1
1 968 . 2 1 1 A 78 78 ASP HA H 78 4.289 4.615 -0.326 1
1 971 . 2 1 1 A 78 78 ASP C C 78 174.522 176.941 -2.419 1
1 972 . 2 1 1 A 78 78 ASP CA C 78 54.779 54.084 0.695 1
1 973 . 2 1 1 A 78 78 ASP CB C 78 39.200 41.779 -2.579 1
1 974 . 2 1 1 A 78 78 ASP N N 78 116.751 122.582 -5.831 1
1 975 . 2 1 1 A 79 79 GLU H H 79 9.867 8.923 0.944 1
1 976 . 2 1 1 A 79 79 GLU HA H 79 3.685 3.868 -0.183 1
1 981 . 2 1 1 A 79 79 GLU C C 79 172.755 174.645 -1.890 1
1 982 . 2 1 1 A 79 79 GLU CA C 79 57.384 57.321 0.063 1
1 983 . 2 1 1 A 79 79 GLU CB C 79 24.429 28.180 -3.751 1
1 985 . 2 1 1 A 79 79 GLU N N 79 119.409 118.759 0.650 1
1 986 . 2 1 1 A 80 80 ASP H H 80 8.212 7.383 0.829 1
1 987 . 2 1 1 A 80 80 ASP HA H 80 4.833 5.425 -0.592 1
1 990 . 2 1 1 A 80 80 ASP C C 80 171.935 174.450 -2.515 1
1 991 . 2 1 1 A 80 80 ASP CA C 80 53.900 52.853 1.047 1
1 992 . 2 1 1 A 80 80 ASP CB C 80 39.633 44.612 -4.979 1
1 993 . 2 1 1 A 80 80 ASP N N 80 121.227 118.467 2.760 1
1 994 . 2 1 1 A 81 81 VAL H H 81 8.638 8.916 -0.278 1
1 995 . 2 1 1 A 81 81 VAL HA H 81 5.055 5.248 -0.193 1
1 1003 . 2 1 1 A 81 81 VAL C C 81 172.826 174.939 -2.113 1
1 1004 . 2 1 1 A 81 81 VAL CA C 81 57.723 61.631 -3.908 1
1 1005 . 2 1 1 A 81 81 VAL CB C 81 31.767 33.698 -1.931 1
1 1008 . 2 1 1 A 81 81 VAL N N 81 118.946 124.964 -6.018 1
1 1009 . 2 1 1 A 82 82 ILE H H 82 9.007 8.623 0.384 1
1 1010 . 2 1 1 A 82 82 ILE HA H 82 5.789 5.054 0.735 1
1 1020 . 2 1 1 A 82 82 ILE C C 82 170.143 173.227 -3.084 1
1 1021 . 2 1 1 A 82 82 ILE CA C 82 55.824 59.182 -3.358 1
1 1022 . 2 1 1 A 82 82 ILE CB C 82 41.574 42.415 -0.841 1
1 1026 . 2 1 1 A 82 82 ILE N N 82 124.391 127.601 -3.210 1
1 1027 . 2 1 1 A 83 83 GLN H H 83 9.415 8.855 0.560 1
1 1028 . 2 1 1 A 83 83 GLN HA H 83 4.815 4.983 -0.168 1
1 1035 . 2 1 1 A 83 83 GLN C C 83 172.719 174.402 -1.683 1
1 1036 . 2 1 1 A 83 83 GLN CA C 83 52.016 54.475 -2.459 1
1 1037 . 2 1 1 A 83 83 GLN CB C 83 32.094 30.963 1.131 1
1 1039 . 2 1 1 A 83 83 GLN N N 83 127.774 127.827 -0.053 1
1 1041 . 2 1 1 A 84 84 ILE H H 84 8.878 8.718 0.160 1
1 1042 . 2 1 1 A 84 84 ILE HA H 84 4.074 4.509 -0.435 1
1 1052 . 2 1 1 A 84 84 ILE C C 84 173.096 174.628 -1.532 1
1 1053 . 2 1 1 A 84 84 ILE CA C 84 57.372 60.387 -3.015 1
1 1054 . 2 1 1 A 84 84 ILE CB C 84 34.771 37.144 -2.373 1
1 1058 . 2 1 1 A 84 84 ILE N N 84 126.673 127.438 -0.765 1
1 1059 . 2 1 1 A 85 85 VAL H H 85 8.562 8.403 0.159 1
1 1060 . 2 1 1 A 85 85 VAL HA H 85 3.914 4.762 -0.848 1
1 1068 . 2 1 1 A 85 85 VAL C C 85 172.438 174.396 -1.958 1
1 1069 . 2 1 1 A 85 85 VAL CA C 85 60.112 59.691 0.421 1
1 1070 . 2 1 1 A 85 85 VAL CB C 85 28.964 33.969 -5.005 1
1 1073 . 2 1 1 A 85 85 VAL N N 85 130.400 128.674 1.726 1
1 1074 . 2 1 1 A 86 86 LYS H H 86 8.399 8.496 -0.097 1
1 1075 . 2 1 1 A 86 86 LYS HA H 86 4.640 4.592 0.048 1
1 1084 . 2 1 1 A 86 86 LYS C C 86 174.388 177.267 -2.879 1
1 1085 . 2 1 1 A 86 86 LYS CA C 86 53.301 55.755 -2.454 1
1 1086 . 2 1 1 A 86 86 LYS CB C 86 32.587 32.887 -0.300 1
1 1090 . 2 1 1 A 86 86 LYS N N 86 126.582 127.607 -1.025 1
1 1091 . 2 1 1 A 87 87 LYS H H 87 8.485 8.719 -0.234 1
1 1092 . 2 1 1 A 87 87 LYS HA H 87 3.923 4.189 -0.266 1
1 1101 . 2 1 1 A 87 87 LYS C C 87 174.196 176.746 -2.550 1
1 1102 . 2 1 1 A 87 87 LYS CA C 87 55.171 57.041 -1.870 1
1 1103 . 2 1 1 A 87 87 LYS CB C 87 31.274 33.509 -2.235 1
1 1107 . 2 1 1 A 87 87 LYS N N 87 119.203 121.961 -2.758 1
1 1108 . 2 1 1 A 89 89 GLY HA2 H 89 4.034 4.053 -0.019 1
1 1109 . 2 1 1 A 89 89 GLY HA3 H 89 4.034 4.053 -0.019 1
1 1110 . 2 1 1 A 89 89 GLY CA C 89 42.366 44.342 -1.976 1
1 1111 . 2 1 1 A 90 90 PRO HA H 90 4.369 4.674 -0.305 1
1 1118 . 2 1 1 A 90 90 PRO CA C 90 61.070 62.794 -1.724 1
1 1119 . 2 1 1 A 90 90 PRO CB C 90 29.818 31.898 -2.080 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.759 4.127 -0.368 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.759 4.145 -0.386 1
1 3 . 3 1 1 A 7 7 GLY C C 7 171.455 174.023 -2.568 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 42.980 45.881 -2.901 1
1 5 . 3 1 1 A 8 8 TYR H H 8 7.813 8.108 -0.295 1
1 6 . 3 1 1 A 8 8 TYR HA H 8 4.391 4.491 -0.100 1
1 13 . 3 1 1 A 8 8 TYR C C 8 173.043 175.506 -2.463 1
1 14 . 3 1 1 A 8 8 TYR CA C 8 55.501 59.177 -3.676 1
1 15 . 3 1 1 A 8 8 TYR CB C 8 36.317 38.952 -2.635 1
1 20 . 3 1 1 A 8 8 TYR N N 8 119.411 122.469 -3.058 1
1 21 . 3 1 1 A 9 9 LEU H H 9 7.861 7.428 0.433 1
1 22 . 3 1 1 A 9 9 LEU HA H 9 4.118 4.261 -0.143 1
1 32 . 3 1 1 A 9 9 LEU C C 9 173.714 175.555 -1.841 1
1 33 . 3 1 1 A 9 9 LEU CA C 9 52.544 54.032 -1.488 1
1 34 . 3 1 1 A 9 9 LEU CB C 9 40.106 41.686 -1.580 1
1 38 . 3 1 1 A 9 9 LEU N N 9 123.594 121.359 2.235 1
1 39 . 3 1 1 A 10 10 LYS H H 10 7.976 8.355 -0.379 1
1 40 . 3 1 1 A 10 10 LYS HA H 10 4.108 4.284 -0.176 1
1 49 . 3 1 1 A 10 10 LYS C C 10 172.845 176.115 -3.270 1
1 50 . 3 1 1 A 10 10 LYS CA C 10 54.150 56.556 -2.406 1
1 51 . 3 1 1 A 10 10 LYS CB C 10 30.736 32.746 -2.010 1
1 55 . 3 1 1 A 10 10 LYS N N 10 122.047 128.223 -6.176 1
1 56 . 3 1 1 A 11 11 LEU H H 11 8.102 8.259 -0.157 1
1 57 . 3 1 1 A 11 11 LEU HA H 11 4.711 5.097 -0.386 1
1 67 . 3 1 1 A 11 11 LEU C C 11 173.849 176.233 -2.384 1
1 68 . 3 1 1 A 11 11 LEU CA C 11 51.523 53.456 -1.933 1
1 69 . 3 1 1 A 11 11 LEU CB C 11 41.767 44.482 -2.715 1
1 73 . 3 1 1 A 11 11 LEU N N 11 123.872 125.338 -1.466 1
1 74 . 3 1 1 A 12 12 VAL H H 12 8.956 8.770 0.186 1
1 75 . 3 1 1 A 12 12 VAL HA H 12 4.044 4.569 -0.525 1
1 83 . 3 1 1 A 12 12 VAL C C 12 171.356 174.959 -3.603 1
1 84 . 3 1 1 A 12 12 VAL CA C 12 59.549 61.506 -1.957 1
1 85 . 3 1 1 A 12 12 VAL CB C 12 31.500 34.112 -2.612 1
1 88 . 3 1 1 A 12 12 VAL N N 12 122.036 123.290 -1.254 1
1 89 . 3 1 1 A 13 13 ARG H H 13 9.211 8.886 0.325 1
1 90 . 3 1 1 A 13 13 ARG HA H 13 4.434 4.722 -0.288 1
1 98 . 3 1 1 A 13 13 ARG C C 13 171.964 175.233 -3.269 1
1 99 . 3 1 1 A 13 13 ARG CA C 13 52.791 55.824 -3.033 1
1 100 . 3 1 1 A 13 13 ARG CB C 13 29.067 30.900 -1.833 1
1 103 . 3 1 1 A 13 13 ARG N N 13 125.178 126.453 -1.275 1
1 105 . 3 1 1 A 14 14 ILE H H 14 8.811 8.767 0.044 1
1 106 . 3 1 1 A 14 14 ILE HA H 14 4.592 4.522 0.070 1
1 116 . 3 1 1 A 14 14 ILE C C 14 173.197 174.812 -1.615 1
1 117 . 3 1 1 A 14 14 ILE CA C 14 55.308 60.046 -4.738 1
1 118 . 3 1 1 A 14 14 ILE CB C 14 36.411 39.752 -3.341 1
1 122 . 3 1 1 A 14 14 ILE N N 14 122.061 124.068 -2.007 1
1 123 . 3 1 1 A 15 15 TYR H H 15 8.781 8.741 0.040 1
1 124 . 3 1 1 A 15 15 TYR HA H 15 5.103 4.826 0.277 1
1 131 . 3 1 1 A 15 15 TYR C C 15 172.764 175.472 -2.708 1
1 132 . 3 1 1 A 15 15 TYR CA C 15 53.740 57.470 -3.730 1
1 133 . 3 1 1 A 15 15 TYR CB C 15 37.340 37.626 -0.286 1
1 138 . 3 1 1 A 15 15 TYR N N 15 125.241 127.460 -2.219 1
1 139 . 3 1 1 A 16 16 THR H H 16 8.961 8.960 0.001 1
1 140 . 3 1 1 A 16 16 THR HA H 16 4.806 4.534 0.272 1
1 145 . 3 1 1 A 16 16 THR C C 16 171.478 173.521 -2.043 1
1 146 . 3 1 1 A 16 16 THR CA C 16 59.180 63.078 -3.898 1
1 147 . 3 1 1 A 16 16 THR CB C 16 68.174 69.818 -1.644 1
1 149 . 3 1 1 A 16 16 THR N N 16 116.007 121.037 -5.030 1
1 150 . 3 1 1 A 17 17 LYS H H 17 8.397 8.572 -0.175 1
1 151 . 3 1 1 A 17 17 LYS HA H 17 4.446 4.856 -0.410 1
1 160 . 3 1 1 A 17 17 LYS C C 17 170.870 175.395 -4.525 1
1 161 . 3 1 1 A 17 17 LYS CA C 17 50.238 52.711 -2.473 1
1 162 . 3 1 1 A 17 17 LYS CB C 17 32.677 35.598 -2.921 1
1 166 . 3 1 1 A 17 17 LYS N N 17 125.122 127.943 -2.821 1
1 167 . 3 1 1 A 18 18 PRO HA H 18 4.474 4.750 -0.276 1
1 174 . 3 1 1 A 18 18 PRO C C 18 174.170 175.991 -1.821 1
1 175 . 3 1 1 A 18 18 PRO CA C 18 59.250 62.333 -3.083 1
1 176 . 3 1 1 A 18 18 PRO CB C 18 29.517 33.278 -3.761 1
1 179 . 3 1 1 A 19 19 LYS H H 19 8.467 8.153 0.314 1
1 180 . 3 1 1 A 19 19 LYS HA H 19 3.887 4.512 -0.625 1
1 187 . 3 1 1 A 19 19 LYS C C 19 175.944 176.752 -0.808 1
1 188 . 3 1 1 A 19 19 LYS CA C 19 55.732 55.709 0.023 1
1 189 . 3 1 1 A 19 19 LYS CB C 19 29.818 32.771 -2.953 1
1 193 . 3 1 1 A 19 19 LYS N N 19 121.921 118.131 3.790 1
1 194 . 3 1 1 A 20 20 GLY HA2 H 20 3.958 4.104 -0.146 1
1 195 . 3 1 1 A 20 20 GLY HA3 H 20 3.676 4.105 -0.429 1
1 196 . 3 1 1 A 20 20 GLY C C 20 171.329 174.322 -2.993 1
1 197 . 3 1 1 A 20 20 GLY CA C 20 43.304 46.032 -2.728 1
1 198 . 3 1 1 A 21 21 GLN H H 21 7.553 7.740 -0.187 1
1 199 . 3 1 1 A 21 21 GLN HA H 21 4.581 4.433 0.148 1
1 206 . 3 1 1 A 21 21 GLN C C 21 172.091 175.342 -3.251 1
1 207 . 3 1 1 A 21 21 GLN CA C 21 51.330 55.763 -4.433 1
1 208 . 3 1 1 A 21 21 GLN CB C 21 29.767 30.163 -0.396 1
1 210 . 3 1 1 A 21 21 GLN N N 21 117.269 119.650 -2.381 1
1 212 . 3 1 1 A 22 22 LEU H H 22 8.048 8.425 -0.377 1
1 213 . 3 1 1 A 22 22 LEU HA H 22 4.292 4.721 -0.429 1
1 223 . 3 1 1 A 22 22 LEU C C 22 171.986 174.793 -2.807 1
1 224 . 3 1 1 A 22 22 LEU CA C 22 50.950 52.702 -1.752 1
1 225 . 3 1 1 A 22 22 LEU CB C 22 38.362 41.245 -2.883 1
1 229 . 3 1 1 A 22 22 LEU N N 22 119.689 121.953 -2.264 1
1 230 . 3 1 1 A 23 23 PRO HA H 23 4.196 4.733 -0.537 1
1 237 . 3 1 1 A 23 23 PRO C C 23 172.331 176.664 -4.333 1
1 238 . 3 1 1 A 23 23 PRO CA C 23 59.882 62.547 -2.665 1
1 239 . 3 1 1 A 23 23 PRO CB C 23 28.948 31.680 -2.732 1
1 242 . 3 1 1 A 24 24 ASP H H 24 8.191 8.431 -0.240 1
1 243 . 3 1 1 A 24 24 ASP HA H 24 4.649 4.638 0.011 1
1 246 . 3 1 1 A 24 24 ASP C C 24 175.312 175.552 -0.240 1
1 247 . 3 1 1 A 24 24 ASP CA C 24 49.710 54.020 -4.310 1
1 248 . 3 1 1 A 24 24 ASP CB C 24 37.229 41.331 -4.102 1
1 249 . 3 1 1 A 24 24 ASP N N 24 118.307 120.700 -2.393 1
1 250 . 3 1 1 A 25 25 TYR H H 25 8.171 9.057 -0.886 1
1 251 . 3 1 1 A 25 25 TYR HA H 25 4.173 4.654 -0.481 1
1 258 . 3 1 1 A 25 25 TYR C C 25 173.720 175.876 -2.156 1
1 259 . 3 1 1 A 25 25 TYR CA C 25 57.297 57.762 -0.465 1
1 260 . 3 1 1 A 25 25 TYR CB C 25 34.897 39.386 -4.489 1
1 265 . 3 1 1 A 25 25 TYR N N 25 123.576 119.571 4.005 1
1 266 . 3 1 1 A 26 26 THR H H 26 8.278 8.362 -0.084 1
1 267 . 3 1 1 A 26 26 THR HA H 26 4.343 4.755 -0.412 1
1 272 . 3 1 1 A 26 26 THR C C 26 173.145 174.726 -1.581 1
1 273 . 3 1 1 A 26 26 THR CA C 26 60.799 62.839 -2.040 1
1 274 . 3 1 1 A 26 26 THR CB C 26 67.379 71.718 -4.339 1
1 276 . 3 1 1 A 26 26 THR N N 26 109.145 115.236 -6.091 1
1 277 . 3 1 1 A 27 27 SER H H 27 7.085 8.113 -1.028 1
1 278 . 3 1 1 A 27 27 SER HA H 27 5.002 4.883 0.119 1
1 281 . 3 1 1 A 27 27 SER C C 27 169.729 172.621 -2.892 1
1 282 . 3 1 1 A 27 27 SER CA C 27 52.526 56.050 -3.524 1
1 283 . 3 1 1 A 27 27 SER CB C 27 61.215 63.882 -2.667 1
1 284 . 3 1 1 A 27 27 SER N N 27 114.134 115.618 -1.484 1
1 285 . 3 1 1 A 28 28 PRO HA H 28 4.553 4.634 -0.081 1
1 292 . 3 1 1 A 28 28 PRO C C 28 174.448 175.772 -1.324 1
1 293 . 3 1 1 A 28 28 PRO CA C 28 60.482 62.400 -1.918 1
1 294 . 3 1 1 A 28 28 PRO CB C 28 29.224 32.939 -3.715 1
1 297 . 3 1 1 A 29 29 VAL H H 29 9.191 8.009 1.182 1
1 298 . 3 1 1 A 29 29 VAL HA H 29 3.946 4.368 -0.422 1
1 306 . 3 1 1 A 29 29 VAL C C 29 172.641 174.237 -1.596 1
1 307 . 3 1 1 A 29 29 VAL CA C 29 60.367 61.000 -0.633 1
1 308 . 3 1 1 A 29 29 VAL CB C 29 30.546 32.932 -2.386 1
1 311 . 3 1 1 A 29 29 VAL N N 29 123.735 121.282 2.453 1
1 312 . 3 1 1 A 30 30 VAL H H 30 8.169 8.793 -0.624 1
1 313 . 3 1 1 A 30 30 VAL HA H 30 4.940 4.355 0.585 1
1 321 . 3 1 1 A 30 30 VAL C C 30 173.560 175.229 -1.669 1
1 322 . 3 1 1 A 30 30 VAL CA C 30 58.568 62.572 -4.004 1
1 323 . 3 1 1 A 30 30 VAL CB C 30 30.303 31.277 -0.974 1
1 326 . 3 1 1 A 30 30 VAL N N 30 125.255 130.480 -5.225 1
1 327 . 3 1 1 A 31 31 LEU H H 31 8.889 8.570 0.319 1
1 328 . 3 1 1 A 31 31 LEU HA H 31 4.816 4.759 0.057 1
1 338 . 3 1 1 A 31 31 LEU C C 31 171.113 174.689 -3.576 1
1 339 . 3 1 1 A 31 31 LEU CA C 31 48.760 51.585 -2.825 1
1 340 . 3 1 1 A 31 31 LEU CB C 31 40.938 44.009 -3.071 1
1 344 . 3 1 1 A 31 31 LEU N N 31 127.017 128.684 -1.667 1
1 345 . 3 1 1 A 32 32 PRO HA H 32 4.531 4.699 -0.168 1
1 352 . 3 1 1 A 32 32 PRO C C 32 174.294 177.600 -3.306 1
1 353 . 3 1 1 A 32 32 PRO CA C 32 59.648 62.801 -3.153 1
1 354 . 3 1 1 A 32 32 PRO CB C 32 29.349 31.683 -2.334 1
1 357 . 3 1 1 A 33 33 TYR H H 33 8.105 8.675 -0.570 1
1 358 . 3 1 1 A 33 33 TYR HA H 33 3.788 3.963 -0.175 1
1 365 . 3 1 1 A 33 33 TYR C C 33 173.470 177.167 -3.697 1
1 366 . 3 1 1 A 33 33 TYR CA C 33 58.159 62.288 -4.129 1
1 367 . 3 1 1 A 33 33 TYR CB C 33 36.244 39.133 -2.889 1
1 372 . 3 1 1 A 33 33 TYR N N 33 120.060 126.485 -6.425 1
1 373 . 3 1 1 A 34 34 SER H H 34 7.868 8.296 -0.428 1
1 374 . 3 1 1 A 34 34 SER HA H 34 3.814 4.320 -0.506 1
1 377 . 3 1 1 A 34 34 SER C C 34 171.946 173.905 -1.959 1
1 378 . 3 1 1 A 34 34 SER CA C 34 58.212 61.326 -3.114 1
1 379 . 3 1 1 A 34 34 SER CB C 34 60.928 63.250 -2.322 1
1 380 . 3 1 1 A 34 34 SER N N 34 116.733 114.391 2.342 1
1 381 . 3 1 1 A 35 35 ARG H H 35 7.883 8.192 -0.309 1
1 382 . 3 1 1 A 35 35 ARG HA H 35 4.575 4.730 -0.155 1
1 389 . 3 1 1 A 35 35 ARG C C 35 172.091 174.657 -2.566 1
1 390 . 3 1 1 A 35 35 ARG CA C 35 52.067 54.851 -2.784 1
1 391 . 3 1 1 A 35 35 ARG CB C 35 28.228 31.601 -3.373 1
1 394 . 3 1 1 A 35 35 ARG N N 35 125.492 119.068 6.424 1
1 395 . 3 1 1 A 36 36 THR H H 36 7.874 8.658 -0.784 1
1 396 . 3 1 1 A 36 36 THR HA H 36 4.613 5.183 -0.570 1
1 401 . 3 1 1 A 36 36 THR C C 36 173.095 173.472 -0.377 1
1 402 . 3 1 1 A 36 36 THR CA C 36 57.029 60.497 -3.468 1
1 403 . 3 1 1 A 36 36 THR CB C 36 66.113 70.865 -4.752 1
1 405 . 3 1 1 A 36 36 THR N N 36 107.510 114.754 -7.244 1
1 406 . 3 1 1 A 37 37 THR H H 37 8.804 8.447 0.357 1
1 407 . 3 1 1 A 37 37 THR HA H 37 5.288 4.607 0.681 1
1 412 . 3 1 1 A 37 37 THR C C 37 174.234 174.420 -0.186 1
1 413 . 3 1 1 A 37 37 THR CA C 37 59.681 60.652 -0.971 1
1 414 . 3 1 1 A 37 37 THR CB C 37 70.032 71.184 -1.152 1
1 416 . 3 1 1 A 37 37 THR N N 37 112.714 117.187 -4.473 1
1 417 . 3 1 1 A 38 38 VAL H H 38 8.269 8.915 -0.646 1
1 418 . 3 1 1 A 38 38 VAL HA H 38 3.485 3.624 -0.139 1
1 426 . 3 1 1 A 38 38 VAL C C 38 175.909 177.331 -1.422 1
1 427 . 3 1 1 A 38 38 VAL CA C 38 64.496 66.854 -2.358 1
1 428 . 3 1 1 A 38 38 VAL CB C 38 29.015 31.473 -2.458 1
1 431 . 3 1 1 A 38 38 VAL N N 38 121.372 122.597 -1.225 1
1 432 . 3 1 1 A 39 39 GLU H H 39 8.597 8.454 0.143 1
1 433 . 3 1 1 A 39 39 GLU HA H 39 3.495 3.848 -0.353 1
1 438 . 3 1 1 A 39 39 GLU C C 39 174.769 178.430 -3.661 1
1 439 . 3 1 1 A 39 39 GLU CA C 39 58.418 59.070 -0.652 1
1 440 . 3 1 1 A 39 39 GLU CB C 39 27.358 29.030 -1.672 1
1 442 . 3 1 1 A 39 39 GLU N N 39 121.954 119.119 2.835 1
1 443 . 3 1 1 A 40 40 ASP H H 40 7.493 8.271 -0.778 1
1 444 . 3 1 1 A 40 40 ASP HA H 40 4.071 4.301 -0.230 1
1 447 . 3 1 1 A 40 40 ASP C C 40 176.738 178.712 -1.974 1
1 448 . 3 1 1 A 40 40 ASP CA C 40 55.877 57.190 -1.313 1
1 449 . 3 1 1 A 40 40 ASP CB C 40 38.721 40.029 -1.308 1
1 450 . 3 1 1 A 40 40 ASP N N 40 119.054 120.450 -1.396 1
1 451 . 3 1 1 A 41 41 PHE H H 41 8.429 8.195 0.234 1
1 452 . 3 1 1 A 41 41 PHE HA H 41 3.750 4.045 -0.295 1
1 460 . 3 1 1 A 41 41 PHE C C 41 173.786 176.980 -3.194 1
1 461 . 3 1 1 A 41 41 PHE CA C 41 59.851 61.071 -1.220 1
1 462 . 3 1 1 A 41 41 PHE CB C 41 36.135 38.932 -2.797 1
1 468 . 3 1 1 A 41 41 PHE N N 41 121.017 122.099 -1.082 1
1 469 . 3 1 1 A 42 42 CYS H H 42 8.527 8.178 0.349 1
1 470 . 3 1 1 A 42 42 CYS HA H 42 3.752 4.231 -0.479 1
1 473 . 3 1 1 A 42 42 CYS C C 42 174.065 177.314 -3.249 1
1 474 . 3 1 1 A 42 42 CYS CA C 42 62.453 62.569 -0.116 1
1 475 . 3 1 1 A 42 42 CYS CB C 42 24.429 26.856 -2.427 1
1 476 . 3 1 1 A 42 42 CYS N N 42 116.390 117.001 -0.611 1
1 477 . 3 1 1 A 43 43 MET H H 43 7.739 7.929 -0.190 1
1 478 . 3 1 1 A 43 43 MET HA H 43 3.885 4.128 -0.243 1
1 486 . 3 1 1 A 43 43 MET C C 43 175.345 178.582 -3.237 1
1 487 . 3 1 1 A 43 43 MET CA C 43 54.460 58.305 -3.845 1
1 488 . 3 1 1 A 43 43 MET CB C 43 28.872 32.529 -3.657 1
1 491 . 3 1 1 A 43 43 MET N N 43 114.377 119.474 -5.097 1
1 492 . 3 1 1 A 44 44 LYS H H 44 7.257 7.566 -0.309 1
1 493 . 3 1 1 A 44 44 LYS HA H 44 3.896 3.924 -0.028 1
1 502 . 3 1 1 A 44 44 LYS C C 44 175.198 178.843 -3.645 1
1 503 . 3 1 1 A 44 44 LYS CA C 44 54.181 59.131 -4.950 1
1 504 . 3 1 1 A 44 44 LYS CB C 44 29.291 32.509 -3.218 1
1 508 . 3 1 1 A 44 44 LYS N N 44 117.480 118.460 -0.980 1
1 509 . 3 1 1 A 45 45 ILE H H 45 7.146 6.925 0.221 1
1 510 . 3 1 1 A 45 45 ILE HA H 45 3.697 3.840 -0.143 1
1 520 . 3 1 1 A 45 45 ILE C C 45 174.894 175.878 -0.984 1
1 521 . 3 1 1 A 45 45 ILE CA C 45 59.954 63.923 -3.969 1
1 522 . 3 1 1 A 45 45 ILE CB C 45 33.943 38.241 -4.298 1
1 526 . 3 1 1 A 45 45 ILE N N 45 119.267 117.683 1.584 1
1 527 . 3 1 1 A 46 46 HIS H H 46 7.982 7.902 0.080 1
1 528 . 3 1 1 A 46 46 HIS HA H 46 4.200 4.798 -0.598 1
1 533 . 3 1 1 A 46 46 HIS C C 46 173.349 175.840 -2.491 1
1 534 . 3 1 1 A 46 46 HIS CA C 46 56.363 55.430 0.933 1
1 535 . 3 1 1 A 46 46 HIS CB C 46 30.998 33.004 -2.006 1
1 538 . 3 1 1 A 46 46 HIS N N 46 116.498 117.716 -1.218 1
1 539 . 3 1 1 A 47 47 LYS H H 47 8.478 8.371 0.107 1
1 540 . 3 1 1 A 47 47 LYS HA H 47 4.091 3.896 0.195 1
1 545 . 3 1 1 A 47 47 LYS C C 47 174.519 176.597 -2.078 1
1 546 . 3 1 1 A 47 47 LYS CA C 47 57.279 58.256 -0.977 1
1 547 . 3 1 1 A 47 47 LYS CB C 47 29.709 31.910 -2.201 1
1 551 . 3 1 1 A 47 47 LYS N N 47 127.686 122.845 4.841 1
1 552 . 3 1 1 A 48 48 ASN H H 48 10.623 7.266 3.357 1
1 553 . 3 1 1 A 48 48 ASN HA H 48 4.839 5.019 -0.180 1
1 558 . 3 1 1 A 48 48 ASN C C 48 175.138 175.953 -0.815 1
1 559 . 3 1 1 A 48 48 ASN CA C 48 50.960 51.899 -0.939 1
1 560 . 3 1 1 A 48 48 ASN CB C 48 36.975 39.318 -2.343 1
1 561 . 3 1 1 A 48 48 ASN N N 48 118.711 117.784 0.927 1
1 563 . 3 1 1 A 49 49 LEU H H 49 7.796 7.537 0.259 1
1 564 . 3 1 1 A 49 49 LEU HA H 49 4.103 4.480 -0.377 1
1 574 . 3 1 1 A 49 49 LEU C C 49 176.976 178.157 -1.181 1
1 575 . 3 1 1 A 49 49 LEU CA C 49 56.381 56.892 -0.511 1
1 576 . 3 1 1 A 49 49 LEU CB C 49 39.064 43.109 -4.045 1
1 580 . 3 1 1 A 49 49 LEU N N 49 124.676 121.475 3.201 1
1 581 . 3 1 1 A 50 50 ILE H H 50 9.052 8.139 0.913 1
1 582 . 3 1 1 A 50 50 ILE HA H 50 4.060 3.896 0.164 1
1 592 . 3 1 1 A 50 50 ILE C C 50 173.983 177.923 -3.940 1
1 593 . 3 1 1 A 50 50 ILE CA C 50 57.842 63.014 -5.172 1
1 594 . 3 1 1 A 50 50 ILE CB C 50 35.943 37.655 -1.712 1
1 598 . 3 1 1 A 50 50 ILE N N 50 116.565 119.608 -3.043 1
1 599 . 3 1 1 A 51 51 LYS H H 51 7.275 7.974 -0.699 1
1 600 . 3 1 1 A 51 51 LYS HA H 51 4.143 4.086 0.057 1
1 609 . 3 1 1 A 51 51 LYS C C 51 175.668 178.534 -2.866 1
1 610 . 3 1 1 A 51 51 LYS CA C 51 55.696 59.929 -4.233 1
1 611 . 3 1 1 A 51 51 LYS CB C 51 29.767 32.104 -2.337 1
1 615 . 3 1 1 A 51 51 LYS N N 51 119.864 122.520 -2.656 1
1 616 . 3 1 1 A 52 52 GLU H H 52 7.590 7.454 0.136 1
1 617 . 3 1 1 A 52 52 GLU HA H 52 4.319 4.361 -0.042 1
1 622 . 3 1 1 A 52 52 GLU C C 52 173.088 176.717 -3.629 1
1 623 . 3 1 1 A 52 52 GLU CA C 52 53.301 57.070 -3.769 1
1 624 . 3 1 1 A 52 52 GLU CB C 52 28.778 30.436 -1.658 1
1 626 . 3 1 1 A 52 52 GLU N N 52 116.453 116.998 -0.545 1
1 627 . 3 1 1 A 53 53 PHE H H 53 7.423 8.067 -0.644 1
1 628 . 3 1 1 A 53 53 PHE HA H 53 3.608 4.387 -0.779 1
1 636 . 3 1 1 A 53 53 PHE C C 53 170.946 175.546 -4.600 1
1 637 . 3 1 1 A 53 53 PHE CA C 53 57.983 59.540 -1.557 1
1 638 . 3 1 1 A 53 53 PHE CB C 53 38.913 39.875 -0.962 1
1 644 . 3 1 1 A 53 53 PHE N N 53 120.950 122.749 -1.799 1
1 645 . 3 1 1 A 54 54 LYS H H 54 8.385 8.860 -0.475 1
1 646 . 3 1 1 A 54 54 LYS HA H 54 4.268 4.259 0.009 1
1 655 . 3 1 1 A 54 54 LYS C C 54 173.038 175.393 -2.355 1
1 656 . 3 1 1 A 54 54 LYS CA C 54 55.263 57.015 -1.752 1
1 657 . 3 1 1 A 54 54 LYS CB C 54 32.730 34.361 -1.631 1
1 661 . 3 1 1 A 54 54 LYS N N 54 128.686 126.939 1.747 1
1 662 . 3 1 1 A 55 55 TYR H H 55 7.083 6.936 0.147 1
1 663 . 3 1 1 A 55 55 TYR HA H 55 4.120 4.498 -0.378 1
1 670 . 3 1 1 A 55 55 TYR C C 55 168.503 173.013 -4.510 1
1 671 . 3 1 1 A 55 55 TYR CA C 55 55.198 55.996 -0.798 1
1 672 . 3 1 1 A 55 55 TYR CB C 55 35.633 39.678 -4.045 1
1 677 . 3 1 1 A 55 55 TYR N N 55 110.963 112.997 -2.034 1
1 678 . 3 1 1 A 56 56 ALA H H 56 8.836 8.936 -0.100 1
1 679 . 3 1 1 A 56 56 ALA HA H 56 5.293 5.166 0.127 1
1 683 . 3 1 1 A 56 56 ALA C C 56 172.993 175.925 -2.932 1
1 684 . 3 1 1 A 56 56 ALA CA C 56 47.088 50.684 -3.596 1
1 685 . 3 1 1 A 56 56 ALA CB C 56 20.287 22.949 -2.662 1
1 686 . 3 1 1 A 56 56 ALA N N 56 118.379 122.077 -3.698 1
1 687 . 3 1 1 A 57 57 LEU H H 57 8.880 8.796 0.084 1
1 688 . 3 1 1 A 57 57 LEU HA H 57 4.854 4.921 -0.067 1
1 698 . 3 1 1 A 57 57 LEU C C 57 172.904 174.874 -1.970 1
1 699 . 3 1 1 A 57 57 LEU CA C 57 50.872 53.265 -2.393 1
1 700 . 3 1 1 A 57 57 LEU CB C 57 42.160 42.811 -0.651 1
1 704 . 3 1 1 A 57 57 LEU N N 57 121.382 122.294 -0.912 1
1 705 . 3 1 1 A 58 58 VAL H H 58 8.123 8.275 -0.152 1
1 706 . 3 1 1 A 58 58 VAL HA H 58 5.243 4.504 0.739 1
1 714 . 3 1 1 A 58 58 VAL C C 58 171.929 175.364 -3.435 1
1 715 . 3 1 1 A 58 58 VAL CA C 58 57.683 61.355 -3.672 1
1 716 . 3 1 1 A 58 58 VAL CB C 58 33.036 32.363 0.673 1
1 719 . 3 1 1 A 58 58 VAL N N 58 120.400 125.116 -4.716 1
1 720 . 3 1 1 A 59 59 TRP H H 59 9.316 8.636 0.680 1
1 721 . 3 1 1 A 59 59 TRP HA H 59 4.843 5.024 -0.181 1
1 730 . 3 1 1 A 59 59 TRP C C 59 173.582 176.322 -2.740 1
1 731 . 3 1 1 A 59 59 TRP CA C 59 54.736 57.259 -2.523 1
1 732 . 3 1 1 A 59 59 TRP CB C 59 30.514 29.723 0.791 1
1 738 . 3 1 1 A 59 59 TRP N N 59 127.196 128.323 -1.127 1
1 740 . 3 1 1 A 60 60 GLY H H 60 8.531 8.464 0.067 1
1 741 . 3 1 1 A 60 60 GLY HA2 H 60 4.934 4.298 0.636 1
1 742 . 3 1 1 A 60 60 GLY HA3 H 60 4.123 4.321 -0.198 1
1 743 . 3 1 1 A 60 60 GLY C C 60 171.378 175.094 -3.716 1
1 744 . 3 1 1 A 60 60 GLY CA C 60 42.587 43.917 -1.330 1
1 745 . 3 1 1 A 60 60 GLY N N 60 110.481 108.454 2.027 1
1 746 . 3 1 1 A 61 61 LEU H H 61 8.188 8.834 -0.646 1
1 747 . 3 1 1 A 61 61 LEU HA H 61 4.141 3.974 0.167 1
1 757 . 3 1 1 A 61 61 LEU C C 61 176.897 179.014 -2.117 1
1 758 . 3 1 1 A 61 61 LEU CA C 61 54.357 57.367 -3.010 1
1 759 . 3 1 1 A 61 61 LEU CB C 61 39.942 41.441 -1.499 1
1 763 . 3 1 1 A 61 61 LEU N N 61 118.667 120.416 -1.749 1
1 764 . 3 1 1 A 62 62 SER H H 62 8.123 8.012 0.111 1
1 765 . 3 1 1 A 62 62 SER HA H 62 4.284 4.278 0.006 1
1 768 . 3 1 1 A 62 62 SER C C 62 171.932 174.788 -2.856 1
1 769 . 3 1 1 A 62 62 SER CA C 62 57.279 61.716 -4.437 1
1 770 . 3 1 1 A 62 62 SER CB C 62 60.354 62.717 -2.363 1
1 771 . 3 1 1 A 62 62 SER N N 62 110.946 113.821 -2.875 1
1 772 . 3 1 1 A 63 63 VAL H H 63 7.174 7.472 -0.298 1
1 773 . 3 1 1 A 63 63 VAL HA H 63 4.503 4.361 0.142 1
1 781 . 3 1 1 A 63 63 VAL C C 63 173.221 176.056 -2.835 1
1 782 . 3 1 1 A 63 63 VAL CA C 63 57.573 60.206 -2.633 1
1 783 . 3 1 1 A 63 63 VAL CB C 63 31.826 33.653 -1.827 1
1 786 . 3 1 1 A 63 63 VAL N N 63 114.625 118.490 -3.865 1
1 787 . 3 1 1 A 64 64 LYS H H 64 8.112 8.502 -0.390 1
1 788 . 3 1 1 A 64 64 LYS HA H 64 4.105 3.903 0.202 1
1 796 . 3 1 1 A 64 64 LYS C C 64 174.259 176.821 -2.562 1
1 797 . 3 1 1 A 64 64 LYS CA C 64 54.586 59.369 -4.783 1
1 798 . 3 1 1 A 64 64 LYS CB C 64 30.837 32.374 -1.537 1
1 802 . 3 1 1 A 64 64 LYS N N 64 119.722 125.107 -5.385 1
1 803 . 3 1 1 A 65 65 HIS H H 65 7.496 7.546 -0.050 1
1 804 . 3 1 1 A 65 65 HIS HA H 65 4.497 5.340 -0.843 1
1 809 . 3 1 1 A 65 65 HIS C C 65 170.028 174.356 -4.328 1
1 810 . 3 1 1 A 65 65 HIS CA C 65 52.491 54.780 -2.289 1
1 811 . 3 1 1 A 65 65 HIS CB C 65 29.149 33.692 -4.543 1
1 814 . 3 1 1 A 65 65 HIS N N 65 117.336 115.358 1.978 1
1 815 . 3 1 1 A 66 66 ASN H H 66 8.135 9.130 -0.995 1
1 816 . 3 1 1 A 66 66 ASN HA H 66 4.986 5.141 -0.155 1
1 821 . 3 1 1 A 66 66 ASN C C 66 171.088 172.423 -1.335 1
1 822 . 3 1 1 A 66 66 ASN CA C 66 47.732 50.667 -2.935 1
1 823 . 3 1 1 A 66 66 ASN CB C 66 39.365 41.424 -2.059 1
1 824 . 3 1 1 A 66 66 ASN N N 66 118.616 116.712 1.904 1
1 826 . 3 1 1 A 67 67 PRO HA H 67 4.408 4.265 0.143 1
1 833 . 3 1 1 A 67 67 PRO C C 67 173.325 175.292 -1.967 1
1 834 . 3 1 1 A 67 67 PRO CA C 67 60.535 62.499 -1.964 1
1 835 . 3 1 1 A 67 67 PRO CB C 67 31.065 32.423 -1.358 1
1 838 . 3 1 1 A 68 68 GLN H H 68 8.323 8.225 0.098 1
1 839 . 3 1 1 A 68 68 GLN HA H 68 4.295 4.632 -0.337 1
1 846 . 3 1 1 A 68 68 GLN C C 68 172.005 174.487 -2.482 1
1 847 . 3 1 1 A 68 68 GLN CA C 68 51.805 54.791 -2.986 1
1 848 . 3 1 1 A 68 68 GLN CB C 68 30.014 32.049 -2.035 1
1 850 . 3 1 1 A 68 68 GLN N N 68 118.089 120.969 -2.880 1
1 852 . 3 1 1 A 69 69 LYS H H 69 8.268 8.509 -0.241 1
1 853 . 3 1 1 A 69 69 LYS HA H 69 4.907 4.535 0.372 1
1 862 . 3 1 1 A 69 69 LYS C C 69 174.226 176.317 -2.091 1
1 863 . 3 1 1 A 69 69 LYS CA C 69 53.598 56.234 -2.636 1
1 864 . 3 1 1 A 69 69 LYS CB C 69 30.096 32.859 -2.763 1
1 868 . 3 1 1 A 69 69 LYS N N 69 125.766 127.103 -1.337 1
1 869 . 3 1 1 A 70 70 VAL H H 70 9.409 8.813 0.596 1
1 870 . 3 1 1 A 70 70 VAL HA H 70 4.723 4.909 -0.186 1
1 878 . 3 1 1 A 70 70 VAL C C 70 172.498 175.810 -3.312 1
1 879 . 3 1 1 A 70 70 VAL CA C 70 56.680 59.616 -2.936 1
1 880 . 3 1 1 A 70 70 VAL CB C 70 33.332 34.807 -1.475 1
1 883 . 3 1 1 A 70 70 VAL N N 70 120.660 120.595 0.065 1
1 884 . 3 1 1 A 71 71 GLY H H 71 8.445 8.582 -0.137 1
1 885 . 3 1 1 A 71 71 GLY HA2 H 71 4.961 4.260 0.701 1
1 886 . 3 1 1 A 71 71 GLY HA3 H 71 3.898 4.329 -0.431 1
1 887 . 3 1 1 A 71 71 GLY C C 71 172.669 174.871 -2.202 1
1 888 . 3 1 1 A 71 71 GLY CA C 71 40.896 44.476 -3.580 1
1 889 . 3 1 1 A 71 71 GLY N N 71 106.755 109.609 -2.854 1
1 890 . 3 1 1 A 72 72 LYS H H 72 8.573 8.945 -0.372 1
1 891 . 3 1 1 A 72 72 LYS HA H 72 3.454 3.939 -0.485 1
1 900 . 3 1 1 A 72 72 LYS C C 72 172.853 176.816 -3.963 1
1 901 . 3 1 1 A 72 72 LYS CA C 72 56.108 58.563 -2.455 1
1 902 . 3 1 1 A 72 72 LYS CB C 72 29.993 32.098 -2.105 1
1 906 . 3 1 1 A 72 72 LYS N N 72 114.685 118.325 -3.640 1
1 907 . 3 1 1 A 73 73 ASP H H 73 8.517 8.011 0.506 1
1 908 . 3 1 1 A 73 73 ASP HA H 73 4.543 4.751 -0.208 1
1 911 . 3 1 1 A 73 73 ASP C C 73 173.041 176.235 -3.194 1
1 912 . 3 1 1 A 73 73 ASP CA C 73 51.118 54.440 -3.322 1
1 913 . 3 1 1 A 73 73 ASP CB C 73 38.311 41.791 -3.480 1
1 914 . 3 1 1 A 73 73 ASP N N 73 115.449 118.505 -3.056 1
1 915 . 3 1 1 A 74 74 HIS H H 74 7.173 7.781 -0.608 1
1 916 . 3 1 1 A 74 74 HIS HA H 74 4.084 4.578 -0.494 1
1 921 . 3 1 1 A 74 74 HIS C C 74 172.466 175.029 -2.563 1
1 922 . 3 1 1 A 74 74 HIS CA C 74 55.483 56.231 -0.748 1
1 923 . 3 1 1 A 74 74 HIS CB C 74 29.868 30.321 -0.453 1
1 926 . 3 1 1 A 74 74 HIS N N 74 120.387 121.072 -0.685 1
1 927 . 3 1 1 A 75 75 THR H H 75 7.573 8.276 -0.703 1
1 928 . 3 1 1 A 75 75 THR HA H 75 3.562 4.143 -0.581 1
1 933 . 3 1 1 A 75 75 THR C C 75 170.555 173.793 -3.238 1
1 934 . 3 1 1 A 75 75 THR CA C 75 61.656 62.264 -0.608 1
1 935 . 3 1 1 A 75 75 THR CB C 75 66.449 69.123 -2.674 1
1 937 . 3 1 1 A 75 75 THR N N 75 123.519 120.902 2.617 1
1 938 . 3 1 1 A 76 76 LEU H H 76 8.300 8.458 -0.158 1
1 939 . 3 1 1 A 76 76 LEU HA H 76 4.187 4.806 -0.619 1
1 949 . 3 1 1 A 76 76 LEU C C 76 174.153 175.921 -1.768 1
1 950 . 3 1 1 A 76 76 LEU CA C 76 52.201 53.486 -1.285 1
1 951 . 3 1 1 A 76 76 LEU CB C 76 40.188 43.618 -3.430 1
1 955 . 3 1 1 A 76 76 LEU N N 76 127.705 126.782 0.923 1
1 956 . 3 1 1 A 77 77 GLU H H 77 9.006 8.741 0.265 1
1 957 . 3 1 1 A 77 77 GLU HA H 77 4.295 4.921 -0.626 1
1 962 . 3 1 1 A 77 77 GLU C C 77 172.035 175.590 -3.555 1
1 963 . 3 1 1 A 77 77 GLU CA C 77 51.734 54.581 -2.847 1
1 964 . 3 1 1 A 77 77 GLU CB C 77 30.671 32.965 -2.294 1
1 966 . 3 1 1 A 77 77 GLU N N 77 120.330 123.811 -3.481 1
1 967 . 3 1 1 A 78 78 ASP H H 78 8.375 8.660 -0.285 1
1 968 . 3 1 1 A 78 78 ASP HA H 78 4.289 4.301 -0.012 1
1 971 . 3 1 1 A 78 78 ASP C C 78 174.522 176.981 -2.459 1
1 972 . 3 1 1 A 78 78 ASP CA C 78 54.779 54.708 0.071 1
1 973 . 3 1 1 A 78 78 ASP CB C 78 39.200 41.328 -2.128 1
1 974 . 3 1 1 A 78 78 ASP N N 78 116.751 124.664 -7.913 1
1 975 . 3 1 1 A 79 79 GLU H H 79 9.867 8.795 1.072 1
1 976 . 3 1 1 A 79 79 GLU HA H 79 3.685 3.796 -0.111 1
1 981 . 3 1 1 A 79 79 GLU C C 79 172.755 174.562 -1.807 1
1 982 . 3 1 1 A 79 79 GLU CA C 79 57.384 57.504 -0.120 1
1 983 . 3 1 1 A 79 79 GLU CB C 79 24.429 28.032 -3.603 1
1 985 . 3 1 1 A 79 79 GLU N N 79 119.409 119.916 -0.507 1
1 986 . 3 1 1 A 80 80 ASP H H 80 8.212 7.437 0.775 1
1 987 . 3 1 1 A 80 80 ASP HA H 80 4.833 5.398 -0.565 1
1 990 . 3 1 1 A 80 80 ASP C C 80 171.935 174.609 -2.674 1
1 991 . 3 1 1 A 80 80 ASP CA C 80 53.900 52.885 1.015 1
1 992 . 3 1 1 A 80 80 ASP CB C 80 39.633 44.163 -4.530 1
1 993 . 3 1 1 A 80 80 ASP N N 80 121.227 118.772 2.455 1
1 994 . 3 1 1 A 81 81 VAL H H 81 8.638 9.130 -0.492 1
1 995 . 3 1 1 A 81 81 VAL HA H 81 5.055 5.286 -0.231 1
1 1003 . 3 1 1 A 81 81 VAL C C 81 172.826 174.722 -1.896 1
1 1004 . 3 1 1 A 81 81 VAL CA C 81 57.723 62.174 -4.451 1
1 1005 . 3 1 1 A 81 81 VAL CB C 81 31.767 33.081 -1.314 1
1 1008 . 3 1 1 A 81 81 VAL N N 81 118.946 125.942 -6.996 1
1 1009 . 3 1 1 A 82 82 ILE H H 82 9.007 8.861 0.146 1
1 1010 . 3 1 1 A 82 82 ILE HA H 82 5.789 5.418 0.371 1
1 1020 . 3 1 1 A 82 82 ILE C C 82 170.143 173.330 -3.187 1
1 1021 . 3 1 1 A 82 82 ILE CA C 82 55.824 58.927 -3.103 1
1 1022 . 3 1 1 A 82 82 ILE CB C 82 41.574 41.688 -0.114 1
1 1026 . 3 1 1 A 82 82 ILE N N 82 124.391 129.187 -4.796 1
1 1027 . 3 1 1 A 83 83 GLN H H 83 9.415 8.891 0.524 1
1 1028 . 3 1 1 A 83 83 GLN HA H 83 4.815 4.927 -0.112 1
1 1035 . 3 1 1 A 83 83 GLN C C 83 172.719 174.521 -1.802 1
1 1036 . 3 1 1 A 83 83 GLN CA C 83 52.016 54.700 -2.684 1
1 1037 . 3 1 1 A 83 83 GLN CB C 83 32.094 30.222 1.872 1
1 1039 . 3 1 1 A 83 83 GLN N N 83 127.774 129.397 -1.623 1
1 1041 . 3 1 1 A 84 84 ILE H H 84 8.878 8.552 0.326 1
1 1042 . 3 1 1 A 84 84 ILE HA H 84 4.074 4.286 -0.212 1
1 1052 . 3 1 1 A 84 84 ILE C C 84 173.096 175.148 -2.052 1
1 1053 . 3 1 1 A 84 84 ILE CA C 84 57.372 61.927 -4.555 1
1 1054 . 3 1 1 A 84 84 ILE CB C 84 34.771 37.398 -2.627 1
1 1058 . 3 1 1 A 84 84 ILE N N 84 126.673 126.553 0.120 1
1 1059 . 3 1 1 A 85 85 VAL H H 85 8.562 8.535 0.027 1
1 1060 . 3 1 1 A 85 85 VAL HA H 85 3.914 4.408 -0.494 1
1 1068 . 3 1 1 A 85 85 VAL C C 85 172.438 174.392 -1.954 1
1 1069 . 3 1 1 A 85 85 VAL CA C 85 60.112 60.692 -0.580 1
1 1070 . 3 1 1 A 85 85 VAL CB C 85 28.964 33.444 -4.480 1
1 1073 . 3 1 1 A 85 85 VAL N N 85 130.400 128.338 2.062 1
1 1074 . 3 1 1 A 86 86 LYS H H 86 8.399 8.566 -0.167 1
1 1075 . 3 1 1 A 86 86 LYS HA H 86 4.640 4.849 -0.209 1
1 1084 . 3 1 1 A 86 86 LYS C C 86 174.388 175.943 -1.555 1
1 1085 . 3 1 1 A 86 86 LYS CA C 86 53.301 54.829 -1.528 1
1 1086 . 3 1 1 A 86 86 LYS CB C 86 32.587 34.364 -1.777 1
1 1090 . 3 1 1 A 86 86 LYS N N 86 126.582 126.575 0.007 1
1 1091 . 3 1 1 A 87 87 LYS H H 87 8.485 8.337 0.148 1
1 1092 . 3 1 1 A 87 87 LYS HA H 87 3.923 4.141 -0.218 1
1 1101 . 3 1 1 A 87 87 LYS C C 87 174.196 176.680 -2.484 1
1 1102 . 3 1 1 A 87 87 LYS CA C 87 55.171 56.626 -1.455 1
1 1103 . 3 1 1 A 87 87 LYS CB C 87 31.274 32.690 -1.416 1
1 1107 . 3 1 1 A 87 87 LYS N N 87 119.203 124.527 -5.324 1
1 1108 . 3 1 1 A 89 89 GLY HA2 H 89 4.034 4.548 -0.514 1
1 1109 . 3 1 1 A 89 89 GLY HA3 H 89 4.034 4.549 -0.515 1
1 1110 . 3 1 1 A 89 89 GLY CA C 89 42.366 45.755 -3.389 1
1 1111 . 3 1 1 A 90 90 PRO HA H 90 4.369 4.473 -0.104 1
1 1118 . 3 1 1 A 90 90 PRO CA C 90 61.070 64.409 -3.339 1
1 1119 . 3 1 1 A 90 90 PRO CB C 90 29.818 31.809 -1.991 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.759 3.957 -0.198 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.759 4.105 -0.346 1
1 3 . 4 1 1 A 7 7 GLY C C 7 171.455 173.681 -2.226 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 42.980 45.635 -2.655 1
1 5 . 4 1 1 A 8 8 TYR H H 8 7.813 7.673 0.140 1
1 6 . 4 1 1 A 8 8 TYR HA H 8 4.391 4.747 -0.356 1
1 13 . 4 1 1 A 8 8 TYR C C 8 173.043 175.296 -2.253 1
1 14 . 4 1 1 A 8 8 TYR CA C 8 55.501 57.347 -1.846 1
1 15 . 4 1 1 A 8 8 TYR CB C 8 36.317 39.789 -3.472 1
1 20 . 4 1 1 A 8 8 TYR N N 8 119.411 120.712 -1.301 1
1 21 . 4 1 1 A 9 9 LEU H H 9 7.861 7.191 0.670 1
1 22 . 4 1 1 A 9 9 LEU HA H 9 4.118 4.298 -0.180 1
1 32 . 4 1 1 A 9 9 LEU C C 9 173.714 176.601 -2.887 1
1 33 . 4 1 1 A 9 9 LEU CA C 9 52.544 54.498 -1.954 1
1 34 . 4 1 1 A 9 9 LEU CB C 9 40.106 41.459 -1.353 1
1 38 . 4 1 1 A 9 9 LEU N N 9 123.594 123.397 0.197 1
1 39 . 4 1 1 A 10 10 LYS H H 10 7.976 8.231 -0.255 1
1 40 . 4 1 1 A 10 10 LYS HA H 10 4.108 4.285 -0.177 1
1 49 . 4 1 1 A 10 10 LYS C C 10 172.845 176.399 -3.554 1
1 50 . 4 1 1 A 10 10 LYS CA C 10 54.150 56.808 -2.658 1
1 51 . 4 1 1 A 10 10 LYS CB C 10 30.736 32.836 -2.100 1
1 55 . 4 1 1 A 10 10 LYS N N 10 122.047 126.042 -3.995 1
1 56 . 4 1 1 A 11 11 LEU H H 11 8.102 8.587 -0.485 1
1 57 . 4 1 1 A 11 11 LEU HA H 11 4.711 4.944 -0.233 1
1 67 . 4 1 1 A 11 11 LEU C C 11 173.849 175.809 -1.960 1
1 68 . 4 1 1 A 11 11 LEU CA C 11 51.523 53.438 -1.915 1
1 69 . 4 1 1 A 11 11 LEU CB C 11 41.767 42.021 -0.254 1
1 73 . 4 1 1 A 11 11 LEU N N 11 123.872 125.831 -1.959 1
1 74 . 4 1 1 A 12 12 VAL H H 12 8.956 9.478 -0.522 1
1 75 . 4 1 1 A 12 12 VAL HA H 12 4.044 4.566 -0.522 1
1 83 . 4 1 1 A 12 12 VAL C C 12 171.356 175.305 -3.949 1
1 84 . 4 1 1 A 12 12 VAL CA C 12 59.549 61.380 -1.831 1
1 85 . 4 1 1 A 12 12 VAL CB C 12 31.500 31.856 -0.356 1
1 88 . 4 1 1 A 12 12 VAL N N 12 122.036 125.728 -3.692 1
1 89 . 4 1 1 A 13 13 ARG H H 13 9.211 8.844 0.367 1
1 90 . 4 1 1 A 13 13 ARG HA H 13 4.434 4.903 -0.469 1
1 98 . 4 1 1 A 13 13 ARG C C 13 171.964 175.402 -3.438 1
1 99 . 4 1 1 A 13 13 ARG CA C 13 52.791 56.132 -3.341 1
1 100 . 4 1 1 A 13 13 ARG CB C 13 29.067 30.775 -1.708 1
1 103 . 4 1 1 A 13 13 ARG N N 13 125.178 126.578 -1.400 1
1 105 . 4 1 1 A 14 14 ILE H H 14 8.811 8.873 -0.062 1
1 106 . 4 1 1 A 14 14 ILE HA H 14 4.592 4.814 -0.222 1
1 116 . 4 1 1 A 14 14 ILE C C 14 173.197 174.318 -1.121 1
1 117 . 4 1 1 A 14 14 ILE CA C 14 55.308 60.087 -4.779 1
1 118 . 4 1 1 A 14 14 ILE CB C 14 36.411 40.929 -4.518 1
1 122 . 4 1 1 A 14 14 ILE N N 14 122.061 123.267 -1.206 1
1 123 . 4 1 1 A 15 15 TYR H H 15 8.781 8.987 -0.206 1
1 124 . 4 1 1 A 15 15 TYR HA H 15 5.103 5.028 0.075 1
1 131 . 4 1 1 A 15 15 TYR C C 15 172.764 175.287 -2.523 1
1 132 . 4 1 1 A 15 15 TYR CA C 15 53.740 56.681 -2.941 1
1 133 . 4 1 1 A 15 15 TYR CB C 15 37.340 38.554 -1.214 1
1 138 . 4 1 1 A 15 15 TYR N N 15 125.241 127.215 -1.974 1
1 139 . 4 1 1 A 16 16 THR H H 16 8.961 8.958 0.003 1
1 140 . 4 1 1 A 16 16 THR HA H 16 4.806 4.434 0.372 1
1 145 . 4 1 1 A 16 16 THR C C 16 171.478 173.131 -1.653 1
1 146 . 4 1 1 A 16 16 THR CA C 16 59.180 62.986 -3.806 1
1 147 . 4 1 1 A 16 16 THR CB C 16 68.174 69.877 -1.703 1
1 149 . 4 1 1 A 16 16 THR N N 16 116.007 121.062 -5.055 1
1 150 . 4 1 1 A 17 17 LYS H H 17 8.397 8.914 -0.517 1
1 151 . 4 1 1 A 17 17 LYS HA H 17 4.446 4.843 -0.397 1
1 160 . 4 1 1 A 17 17 LYS C C 17 170.870 174.705 -3.835 1
1 161 . 4 1 1 A 17 17 LYS CA C 17 50.238 52.800 -2.562 1
1 162 . 4 1 1 A 17 17 LYS CB C 17 32.677 33.890 -1.213 1
1 166 . 4 1 1 A 17 17 LYS N N 17 125.122 128.644 -3.522 1
1 167 . 4 1 1 A 18 18 PRO HA H 18 4.474 4.549 -0.075 1
1 174 . 4 1 1 A 18 18 PRO C C 18 174.170 177.142 -2.972 1
1 175 . 4 1 1 A 18 18 PRO CA C 18 59.250 62.728 -3.478 1
1 176 . 4 1 1 A 18 18 PRO CB C 18 29.517 32.103 -2.586 1
1 179 . 4 1 1 A 19 19 LYS H H 19 8.467 8.390 0.077 1
1 180 . 4 1 1 A 19 19 LYS HA H 19 3.887 4.131 -0.244 1
1 187 . 4 1 1 A 19 19 LYS C C 19 175.944 177.041 -1.097 1
1 188 . 4 1 1 A 19 19 LYS CA C 19 55.732 57.099 -1.367 1
1 189 . 4 1 1 A 19 19 LYS CB C 19 29.818 32.009 -2.191 1
1 193 . 4 1 1 A 19 19 LYS N N 19 121.921 120.091 1.830 1
1 194 . 4 1 1 A 20 20 GLY HA2 H 20 3.958 4.005 -0.047 1
1 195 . 4 1 1 A 20 20 GLY HA3 H 20 3.676 4.007 -0.331 1
1 196 . 4 1 1 A 20 20 GLY C C 20 171.329 174.812 -3.483 1
1 197 . 4 1 1 A 20 20 GLY CA C 20 43.304 45.160 -1.856 1
1 198 . 4 1 1 A 21 21 GLN H H 21 7.553 7.890 -0.337 1
1 199 . 4 1 1 A 21 21 GLN HA H 21 4.581 4.550 0.031 1
1 206 . 4 1 1 A 21 21 GLN C C 21 172.091 175.223 -3.132 1
1 207 . 4 1 1 A 21 21 GLN CA C 21 51.330 55.570 -4.240 1
1 208 . 4 1 1 A 21 21 GLN CB C 21 29.767 30.512 -0.745 1
1 210 . 4 1 1 A 21 21 GLN N N 21 117.269 120.556 -3.287 1
1 212 . 4 1 1 A 22 22 LEU H H 22 8.048 8.491 -0.443 1
1 213 . 4 1 1 A 22 22 LEU HA H 22 4.292 4.671 -0.379 1
1 223 . 4 1 1 A 22 22 LEU C C 22 171.986 174.421 -2.435 1
1 224 . 4 1 1 A 22 22 LEU CA C 22 50.950 52.866 -1.916 1
1 225 . 4 1 1 A 22 22 LEU CB C 22 38.362 41.306 -2.944 1
1 229 . 4 1 1 A 22 22 LEU N N 22 119.689 121.907 -2.218 1
1 230 . 4 1 1 A 23 23 PRO HA H 23 4.196 4.509 -0.313 1
1 237 . 4 1 1 A 23 23 PRO C C 23 172.331 175.710 -3.379 1
1 238 . 4 1 1 A 23 23 PRO CA C 23 59.882 62.497 -2.615 1
1 239 . 4 1 1 A 23 23 PRO CB C 23 28.948 31.777 -2.829 1
1 242 . 4 1 1 A 24 24 ASP H H 24 8.191 7.966 0.225 1
1 243 . 4 1 1 A 24 24 ASP HA H 24 4.649 4.809 -0.160 1
1 246 . 4 1 1 A 24 24 ASP C C 24 175.312 175.530 -0.218 1
1 247 . 4 1 1 A 24 24 ASP CA C 24 49.710 53.510 -3.800 1
1 248 . 4 1 1 A 24 24 ASP CB C 24 37.229 42.209 -4.980 1
1 249 . 4 1 1 A 24 24 ASP N N 24 118.307 121.136 -2.829 1
1 250 . 4 1 1 A 25 25 TYR H H 25 8.171 8.925 -0.754 1
1 251 . 4 1 1 A 25 25 TYR HA H 25 4.173 4.850 -0.677 1
1 258 . 4 1 1 A 25 25 TYR C C 25 173.720 176.311 -2.591 1
1 259 . 4 1 1 A 25 25 TYR CA C 25 57.297 57.288 0.009 1
1 260 . 4 1 1 A 25 25 TYR CB C 25 34.897 38.561 -3.664 1
1 265 . 4 1 1 A 25 25 TYR N N 25 123.576 123.049 0.527 1
1 266 . 4 1 1 A 26 26 THR H H 26 8.278 7.746 0.532 1
1 267 . 4 1 1 A 26 26 THR HA H 26 4.343 4.622 -0.279 1
1 272 . 4 1 1 A 26 26 THR C C 26 173.145 175.198 -2.053 1
1 273 . 4 1 1 A 26 26 THR CA C 26 60.799 62.623 -1.824 1
1 274 . 4 1 1 A 26 26 THR CB C 26 67.379 69.758 -2.379 1
1 276 . 4 1 1 A 26 26 THR N N 26 109.145 110.988 -1.843 1
1 277 . 4 1 1 A 27 27 SER H H 27 7.085 8.122 -1.037 1
1 278 . 4 1 1 A 27 27 SER HA H 27 5.002 4.970 0.032 1
1 281 . 4 1 1 A 27 27 SER C C 27 169.729 171.534 -1.805 1
1 282 . 4 1 1 A 27 27 SER CA C 27 52.526 55.712 -3.186 1
1 283 . 4 1 1 A 27 27 SER CB C 27 61.215 63.829 -2.614 1
1 284 . 4 1 1 A 27 27 SER N N 27 114.134 117.481 -3.347 1
1 285 . 4 1 1 A 28 28 PRO HA H 28 4.553 4.695 -0.142 1
1 292 . 4 1 1 A 28 28 PRO C C 28 174.448 175.542 -1.094 1
1 293 . 4 1 1 A 28 28 PRO CA C 28 60.482 62.343 -1.861 1
1 294 . 4 1 1 A 28 28 PRO CB C 28 29.224 32.998 -3.774 1
1 297 . 4 1 1 A 29 29 VAL H H 29 9.191 8.290 0.901 1
1 298 . 4 1 1 A 29 29 VAL HA H 29 3.946 4.542 -0.596 1
1 306 . 4 1 1 A 29 29 VAL C C 29 172.641 174.163 -1.522 1
1 307 . 4 1 1 A 29 29 VAL CA C 29 60.367 60.365 0.002 1
1 308 . 4 1 1 A 29 29 VAL CB C 29 30.546 34.143 -3.597 1
1 311 . 4 1 1 A 29 29 VAL N N 29 123.735 120.638 3.097 1
1 312 . 4 1 1 A 30 30 VAL H H 30 8.169 8.931 -0.762 1
1 313 . 4 1 1 A 30 30 VAL HA H 30 4.940 4.383 0.557 1
1 321 . 4 1 1 A 30 30 VAL C C 30 173.560 175.254 -1.694 1
1 322 . 4 1 1 A 30 30 VAL CA C 30 58.568 62.423 -3.855 1
1 323 . 4 1 1 A 30 30 VAL CB C 30 30.303 31.166 -0.863 1
1 326 . 4 1 1 A 30 30 VAL N N 30 125.255 130.639 -5.384 1
1 327 . 4 1 1 A 31 31 LEU H H 31 8.889 8.729 0.160 1
1 328 . 4 1 1 A 31 31 LEU HA H 31 4.816 4.764 0.052 1
1 338 . 4 1 1 A 31 31 LEU C C 31 171.113 174.805 -3.692 1
1 339 . 4 1 1 A 31 31 LEU CA C 31 48.760 51.648 -2.888 1
1 340 . 4 1 1 A 31 31 LEU CB C 31 40.938 43.491 -2.553 1
1 344 . 4 1 1 A 31 31 LEU N N 31 127.017 128.571 -1.554 1
1 345 . 4 1 1 A 32 32 PRO HA H 32 4.531 4.624 -0.093 1
1 352 . 4 1 1 A 32 32 PRO C C 32 174.294 177.448 -3.154 1
1 353 . 4 1 1 A 32 32 PRO CA C 32 59.648 62.724 -3.076 1
1 354 . 4 1 1 A 32 32 PRO CB C 32 29.349 32.840 -3.491 1
1 357 . 4 1 1 A 33 33 TYR H H 33 8.105 8.737 -0.632 1
1 358 . 4 1 1 A 33 33 TYR HA H 33 3.788 3.992 -0.204 1
1 365 . 4 1 1 A 33 33 TYR C C 33 173.470 177.228 -3.758 1
1 366 . 4 1 1 A 33 33 TYR CA C 33 58.159 62.150 -3.991 1
1 367 . 4 1 1 A 33 33 TYR CB C 33 36.244 39.268 -3.024 1
1 372 . 4 1 1 A 33 33 TYR N N 33 120.060 126.707 -6.647 1
1 373 . 4 1 1 A 34 34 SER H H 34 7.868 8.349 -0.481 1
1 374 . 4 1 1 A 34 34 SER HA H 34 3.814 4.253 -0.439 1
1 377 . 4 1 1 A 34 34 SER C C 34 171.946 174.062 -2.116 1
1 378 . 4 1 1 A 34 34 SER CA C 34 58.212 61.411 -3.199 1
1 379 . 4 1 1 A 34 34 SER CB C 34 60.928 63.138 -2.210 1
1 380 . 4 1 1 A 34 34 SER N N 34 116.733 114.392 2.341 1
1 381 . 4 1 1 A 35 35 ARG H H 35 7.883 8.044 -0.161 1
1 382 . 4 1 1 A 35 35 ARG HA H 35 4.575 4.688 -0.113 1
1 389 . 4 1 1 A 35 35 ARG C C 35 172.091 174.642 -2.551 1
1 390 . 4 1 1 A 35 35 ARG CA C 35 52.067 54.841 -2.774 1
1 391 . 4 1 1 A 35 35 ARG CB C 35 28.228 31.445 -3.217 1
1 394 . 4 1 1 A 35 35 ARG N N 35 125.492 119.077 6.415 1
1 395 . 4 1 1 A 36 36 THR H H 36 7.874 8.675 -0.801 1
1 396 . 4 1 1 A 36 36 THR HA H 36 4.613 5.313 -0.700 1
1 401 . 4 1 1 A 36 36 THR C C 36 173.095 173.380 -0.285 1
1 402 . 4 1 1 A 36 36 THR CA C 36 57.029 60.532 -3.503 1
1 403 . 4 1 1 A 36 36 THR CB C 36 66.113 70.802 -4.689 1
1 405 . 4 1 1 A 36 36 THR N N 36 107.510 114.587 -7.077 1
1 406 . 4 1 1 A 37 37 THR H H 37 8.804 8.471 0.333 1
1 407 . 4 1 1 A 37 37 THR HA H 37 5.288 4.715 0.573 1
1 412 . 4 1 1 A 37 37 THR C C 37 174.234 174.500 -0.266 1
1 413 . 4 1 1 A 37 37 THR CA C 37 59.681 60.565 -0.884 1
1 414 . 4 1 1 A 37 37 THR CB C 37 70.032 70.744 -0.712 1
1 416 . 4 1 1 A 37 37 THR N N 37 112.714 116.800 -4.086 1
1 417 . 4 1 1 A 38 38 VAL H H 38 8.269 8.867 -0.598 1
1 418 . 4 1 1 A 38 38 VAL HA H 38 3.485 3.619 -0.134 1
1 426 . 4 1 1 A 38 38 VAL C C 38 175.909 177.336 -1.427 1
1 427 . 4 1 1 A 38 38 VAL CA C 38 64.496 66.675 -2.179 1
1 428 . 4 1 1 A 38 38 VAL CB C 38 29.015 31.222 -2.207 1
1 431 . 4 1 1 A 38 38 VAL N N 38 121.372 122.554 -1.182 1
1 432 . 4 1 1 A 39 39 GLU H H 39 8.597 8.319 0.278 1
1 433 . 4 1 1 A 39 39 GLU HA H 39 3.495 3.904 -0.409 1
1 438 . 4 1 1 A 39 39 GLU C C 39 174.769 178.538 -3.769 1
1 439 . 4 1 1 A 39 39 GLU CA C 39 58.418 59.120 -0.702 1
1 440 . 4 1 1 A 39 39 GLU CB C 39 27.358 29.268 -1.910 1
1 442 . 4 1 1 A 39 39 GLU N N 39 121.954 119.280 2.674 1
1 443 . 4 1 1 A 40 40 ASP H H 40 7.493 8.075 -0.582 1
1 444 . 4 1 1 A 40 40 ASP HA H 40 4.071 4.300 -0.229 1
1 447 . 4 1 1 A 40 40 ASP C C 40 176.738 178.206 -1.468 1
1 448 . 4 1 1 A 40 40 ASP CA C 40 55.877 57.002 -1.125 1
1 449 . 4 1 1 A 40 40 ASP CB C 40 38.721 41.874 -3.153 1
1 450 . 4 1 1 A 40 40 ASP N N 40 119.054 120.429 -1.375 1
1 451 . 4 1 1 A 41 41 PHE H H 41 8.429 8.014 0.415 1
1 452 . 4 1 1 A 41 41 PHE HA H 41 3.750 4.049 -0.299 1
1 460 . 4 1 1 A 41 41 PHE C C 41 173.786 177.193 -3.407 1
1 461 . 4 1 1 A 41 41 PHE CA C 41 59.851 60.781 -0.930 1
1 462 . 4 1 1 A 41 41 PHE CB C 41 36.135 39.196 -3.061 1
1 468 . 4 1 1 A 41 41 PHE N N 41 121.017 119.695 1.322 1
1 469 . 4 1 1 A 42 42 CYS H H 42 8.527 8.158 0.369 1
1 470 . 4 1 1 A 42 42 CYS HA H 42 3.752 4.395 -0.643 1
1 473 . 4 1 1 A 42 42 CYS C C 42 174.065 177.079 -3.014 1
1 474 . 4 1 1 A 42 42 CYS CA C 42 62.453 62.318 0.135 1
1 475 . 4 1 1 A 42 42 CYS CB C 42 24.429 27.532 -3.103 1
1 476 . 4 1 1 A 42 42 CYS N N 42 116.390 117.475 -1.085 1
1 477 . 4 1 1 A 43 43 MET H H 43 7.739 8.117 -0.378 1
1 478 . 4 1 1 A 43 43 MET HA H 43 3.885 4.115 -0.230 1
1 486 . 4 1 1 A 43 43 MET C C 43 175.345 178.630 -3.285 1
1 487 . 4 1 1 A 43 43 MET CA C 43 54.460 58.499 -4.039 1
1 488 . 4 1 1 A 43 43 MET CB C 43 28.872 32.620 -3.748 1
1 491 . 4 1 1 A 43 43 MET N N 43 114.377 119.289 -4.912 1
1 492 . 4 1 1 A 44 44 LYS H H 44 7.257 7.586 -0.329 1
1 493 . 4 1 1 A 44 44 LYS HA H 44 3.896 3.920 -0.024 1
1 502 . 4 1 1 A 44 44 LYS C C 44 175.198 178.626 -3.428 1
1 503 . 4 1 1 A 44 44 LYS CA C 44 54.181 58.665 -4.484 1
1 504 . 4 1 1 A 44 44 LYS CB C 44 29.291 32.441 -3.150 1
1 508 . 4 1 1 A 44 44 LYS N N 44 117.480 118.242 -0.762 1
1 509 . 4 1 1 A 45 45 ILE H H 45 7.146 6.927 0.219 1
1 510 . 4 1 1 A 45 45 ILE HA H 45 3.697 3.924 -0.227 1
1 520 . 4 1 1 A 45 45 ILE C C 45 174.894 176.022 -1.128 1
1 521 . 4 1 1 A 45 45 ILE CA C 45 59.954 63.664 -3.710 1
1 522 . 4 1 1 A 45 45 ILE CB C 45 33.943 38.578 -4.635 1
1 526 . 4 1 1 A 45 45 ILE N N 45 119.267 117.427 1.840 1
1 527 . 4 1 1 A 46 46 HIS H H 46 7.982 7.977 0.005 1
1 528 . 4 1 1 A 46 46 HIS HA H 46 4.200 4.812 -0.612 1
1 533 . 4 1 1 A 46 46 HIS C C 46 173.349 175.761 -2.412 1
1 534 . 4 1 1 A 46 46 HIS CA C 46 56.363 55.262 1.101 1
1 535 . 4 1 1 A 46 46 HIS CB C 46 30.998 33.112 -2.114 1
1 538 . 4 1 1 A 46 46 HIS N N 46 116.498 117.586 -1.088 1
1 539 . 4 1 1 A 47 47 LYS H H 47 8.478 8.347 0.131 1
1 540 . 4 1 1 A 47 47 LYS HA H 47 4.091 3.913 0.178 1
1 545 . 4 1 1 A 47 47 LYS C C 47 174.519 176.684 -2.165 1
1 546 . 4 1 1 A 47 47 LYS CA C 47 57.279 58.326 -1.047 1
1 547 . 4 1 1 A 47 47 LYS CB C 47 29.709 31.994 -2.285 1
1 551 . 4 1 1 A 47 47 LYS N N 47 127.686 122.196 5.490 1
1 552 . 4 1 1 A 48 48 ASN H H 48 10.623 7.592 3.031 1
1 553 . 4 1 1 A 48 48 ASN HA H 48 4.839 5.014 -0.175 1
1 558 . 4 1 1 A 48 48 ASN C C 48 175.138 175.892 -0.754 1
1 559 . 4 1 1 A 48 48 ASN CA C 48 50.960 52.201 -1.241 1
1 560 . 4 1 1 A 48 48 ASN CB C 48 36.975 39.172 -2.197 1
1 561 . 4 1 1 A 48 48 ASN N N 48 118.711 117.615 1.096 1
1 563 . 4 1 1 A 49 49 LEU H H 49 7.796 7.265 0.531 1
1 564 . 4 1 1 A 49 49 LEU HA H 49 4.103 4.324 -0.221 1
1 574 . 4 1 1 A 49 49 LEU C C 49 176.976 178.259 -1.283 1
1 575 . 4 1 1 A 49 49 LEU CA C 49 56.381 57.247 -0.866 1
1 576 . 4 1 1 A 49 49 LEU CB C 49 39.064 42.700 -3.636 1
1 580 . 4 1 1 A 49 49 LEU N N 49 124.676 121.456 3.220 1
1 581 . 4 1 1 A 50 50 ILE H H 50 9.052 8.049 1.003 1
1 582 . 4 1 1 A 50 50 ILE HA H 50 4.060 3.829 0.231 1
1 592 . 4 1 1 A 50 50 ILE C C 50 173.983 177.757 -3.774 1
1 593 . 4 1 1 A 50 50 ILE CA C 50 57.842 64.011 -6.169 1
1 594 . 4 1 1 A 50 50 ILE CB C 50 35.943 37.719 -1.776 1
1 598 . 4 1 1 A 50 50 ILE N N 50 116.565 119.268 -2.703 1
1 599 . 4 1 1 A 51 51 LYS H H 51 7.275 7.992 -0.717 1
1 600 . 4 1 1 A 51 51 LYS HA H 51 4.143 4.009 0.134 1
1 609 . 4 1 1 A 51 51 LYS C C 51 175.668 178.524 -2.856 1
1 610 . 4 1 1 A 51 51 LYS CA C 51 55.696 60.093 -4.397 1
1 611 . 4 1 1 A 51 51 LYS CB C 51 29.767 32.084 -2.317 1
1 615 . 4 1 1 A 51 51 LYS N N 51 119.864 122.532 -2.668 1
1 616 . 4 1 1 A 52 52 GLU H H 52 7.590 7.977 -0.387 1
1 617 . 4 1 1 A 52 52 GLU HA H 52 4.319 4.414 -0.095 1
1 622 . 4 1 1 A 52 52 GLU C C 52 173.088 176.592 -3.504 1
1 623 . 4 1 1 A 52 52 GLU CA C 52 53.301 56.850 -3.549 1
1 624 . 4 1 1 A 52 52 GLU CB C 52 28.778 30.449 -1.671 1
1 626 . 4 1 1 A 52 52 GLU N N 52 116.453 116.670 -0.217 1
1 627 . 4 1 1 A 53 53 PHE H H 53 7.423 8.077 -0.654 1
1 628 . 4 1 1 A 53 53 PHE HA H 53 3.608 4.458 -0.850 1
1 636 . 4 1 1 A 53 53 PHE C C 53 170.946 175.361 -4.415 1
1 637 . 4 1 1 A 53 53 PHE CA C 53 57.983 59.414 -1.431 1
1 638 . 4 1 1 A 53 53 PHE CB C 53 38.913 39.984 -1.071 1
1 644 . 4 1 1 A 53 53 PHE N N 53 120.950 123.160 -2.210 1
1 645 . 4 1 1 A 54 54 LYS H H 54 8.385 8.698 -0.313 1
1 646 . 4 1 1 A 54 54 LYS HA H 54 4.268 4.192 0.076 1
1 655 . 4 1 1 A 54 54 LYS C C 54 173.038 175.318 -2.280 1
1 656 . 4 1 1 A 54 54 LYS CA C 54 55.263 57.036 -1.773 1
1 657 . 4 1 1 A 54 54 LYS CB C 54 32.730 34.165 -1.435 1
1 661 . 4 1 1 A 54 54 LYS N N 54 128.686 127.059 1.627 1
1 662 . 4 1 1 A 55 55 TYR H H 55 7.083 6.930 0.153 1
1 663 . 4 1 1 A 55 55 TYR HA H 55 4.120 4.688 -0.568 1
1 670 . 4 1 1 A 55 55 TYR C C 55 168.503 173.153 -4.650 1
1 671 . 4 1 1 A 55 55 TYR CA C 55 55.198 56.116 -0.918 1
1 672 . 4 1 1 A 55 55 TYR CB C 55 35.633 39.664 -4.031 1
1 677 . 4 1 1 A 55 55 TYR N N 55 110.963 112.991 -2.028 1
1 678 . 4 1 1 A 56 56 ALA H H 56 8.836 8.829 0.007 1
1 679 . 4 1 1 A 56 56 ALA HA H 56 5.293 5.477 -0.184 1
1 683 . 4 1 1 A 56 56 ALA C C 56 172.993 175.954 -2.961 1
1 684 . 4 1 1 A 56 56 ALA CA C 56 47.088 50.653 -3.565 1
1 685 . 4 1 1 A 56 56 ALA CB C 56 20.287 22.628 -2.341 1
1 686 . 4 1 1 A 56 56 ALA N N 56 118.379 122.313 -3.934 1
1 687 . 4 1 1 A 57 57 LEU H H 57 8.880 8.373 0.507 1
1 688 . 4 1 1 A 57 57 LEU HA H 57 4.854 4.613 0.241 1
1 698 . 4 1 1 A 57 57 LEU C C 57 172.904 175.075 -2.171 1
1 699 . 4 1 1 A 57 57 LEU CA C 57 50.872 53.212 -2.340 1
1 700 . 4 1 1 A 57 57 LEU CB C 57 42.160 41.928 0.232 1
1 704 . 4 1 1 A 57 57 LEU N N 57 121.382 122.545 -1.163 1
1 705 . 4 1 1 A 58 58 VAL H H 58 8.123 8.349 -0.226 1
1 706 . 4 1 1 A 58 58 VAL HA H 58 5.243 4.668 0.575 1
1 714 . 4 1 1 A 58 58 VAL C C 58 171.929 174.984 -3.055 1
1 715 . 4 1 1 A 58 58 VAL CA C 58 57.683 61.605 -3.922 1
1 716 . 4 1 1 A 58 58 VAL CB C 58 33.036 32.073 0.963 1
1 719 . 4 1 1 A 58 58 VAL N N 58 120.400 124.919 -4.519 1
1 720 . 4 1 1 A 59 59 TRP H H 59 9.316 8.952 0.364 1
1 721 . 4 1 1 A 59 59 TRP HA H 59 4.843 5.264 -0.421 1
1 730 . 4 1 1 A 59 59 TRP C C 59 173.582 176.708 -3.126 1
1 731 . 4 1 1 A 59 59 TRP CA C 59 54.736 55.032 -0.296 1
1 732 . 4 1 1 A 59 59 TRP CB C 59 30.514 30.770 -0.256 1
1 738 . 4 1 1 A 59 59 TRP N N 59 127.196 127.320 -0.124 1
1 740 . 4 1 1 A 60 60 GLY H H 60 8.531 8.389 0.142 1
1 741 . 4 1 1 A 60 60 GLY HA2 H 60 4.934 4.306 0.628 1
1 742 . 4 1 1 A 60 60 GLY HA3 H 60 4.123 4.315 -0.192 1
1 743 . 4 1 1 A 60 60 GLY C C 60 171.378 173.928 -2.550 1
1 744 . 4 1 1 A 60 60 GLY CA C 60 42.587 46.179 -3.592 1
1 745 . 4 1 1 A 60 60 GLY N N 60 110.481 110.512 -0.031 1
1 746 . 4 1 1 A 61 61 LEU H H 61 8.188 8.806 -0.618 1
1 747 . 4 1 1 A 61 61 LEU HA H 61 4.141 4.197 -0.056 1
1 757 . 4 1 1 A 61 61 LEU C C 61 176.897 179.254 -2.357 1
1 758 . 4 1 1 A 61 61 LEU CA C 61 54.357 56.948 -2.591 1
1 759 . 4 1 1 A 61 61 LEU CB C 61 39.942 42.117 -2.175 1
1 763 . 4 1 1 A 61 61 LEU N N 61 118.667 121.349 -2.682 1
1 764 . 4 1 1 A 62 62 SER H H 62 8.123 7.904 0.219 1
1 765 . 4 1 1 A 62 62 SER HA H 62 4.284 4.289 -0.005 1
1 768 . 4 1 1 A 62 62 SER C C 62 171.932 174.213 -2.281 1
1 769 . 4 1 1 A 62 62 SER CA C 62 57.279 61.396 -4.117 1
1 770 . 4 1 1 A 62 62 SER CB C 62 60.354 62.955 -2.601 1
1 771 . 4 1 1 A 62 62 SER N N 62 110.946 112.270 -1.324 1
1 772 . 4 1 1 A 63 63 VAL H H 63 7.174 7.602 -0.428 1
1 773 . 4 1 1 A 63 63 VAL HA H 63 4.503 4.698 -0.195 1
1 781 . 4 1 1 A 63 63 VAL C C 63 173.221 175.327 -2.106 1
1 782 . 4 1 1 A 63 63 VAL CA C 63 57.573 58.790 -1.217 1
1 783 . 4 1 1 A 63 63 VAL CB C 63 31.826 34.871 -3.045 1
1 786 . 4 1 1 A 63 63 VAL N N 63 114.625 116.822 -2.197 1
1 787 . 4 1 1 A 64 64 LYS H H 64 8.112 8.852 -0.740 1
1 788 . 4 1 1 A 64 64 LYS HA H 64 4.105 4.271 -0.166 1
1 796 . 4 1 1 A 64 64 LYS C C 64 174.259 176.707 -2.448 1
1 797 . 4 1 1 A 64 64 LYS CA C 64 54.586 57.454 -2.868 1
1 798 . 4 1 1 A 64 64 LYS CB C 64 30.837 33.354 -2.517 1
1 802 . 4 1 1 A 64 64 LYS N N 64 119.722 121.380 -1.658 1
1 803 . 4 1 1 A 65 65 HIS H H 65 7.496 7.719 -0.223 1
1 804 . 4 1 1 A 65 65 HIS HA H 65 4.497 5.181 -0.684 1
1 809 . 4 1 1 A 65 65 HIS C C 65 170.028 174.363 -4.335 1
1 810 . 4 1 1 A 65 65 HIS CA C 65 52.491 54.807 -2.316 1
1 811 . 4 1 1 A 65 65 HIS CB C 65 29.149 32.218 -3.069 1
1 814 . 4 1 1 A 65 65 HIS N N 65 117.336 115.115 2.221 1
1 815 . 4 1 1 A 66 66 ASN H H 66 8.135 9.224 -1.089 1
1 816 . 4 1 1 A 66 66 ASN HA H 66 4.986 5.227 -0.241 1
1 821 . 4 1 1 A 66 66 ASN C C 66 171.088 173.273 -2.185 1
1 822 . 4 1 1 A 66 66 ASN CA C 66 47.732 50.556 -2.824 1
1 823 . 4 1 1 A 66 66 ASN CB C 66 39.365 40.155 -0.790 1
1 824 . 4 1 1 A 66 66 ASN N N 66 118.616 121.562 -2.946 1
1 826 . 4 1 1 A 67 67 PRO HA H 67 4.408 4.278 0.130 1
1 833 . 4 1 1 A 67 67 PRO C C 67 173.325 175.355 -2.030 1
1 834 . 4 1 1 A 67 67 PRO CA C 67 60.535 62.705 -2.170 1
1 835 . 4 1 1 A 67 67 PRO CB C 67 31.065 32.543 -1.478 1
1 838 . 4 1 1 A 68 68 GLN H H 68 8.323 8.236 0.087 1
1 839 . 4 1 1 A 68 68 GLN HA H 68 4.295 4.626 -0.331 1
1 846 . 4 1 1 A 68 68 GLN C C 68 172.005 174.849 -2.844 1
1 847 . 4 1 1 A 68 68 GLN CA C 68 51.805 54.701 -2.896 1
1 848 . 4 1 1 A 68 68 GLN CB C 68 30.014 31.853 -1.839 1
1 850 . 4 1 1 A 68 68 GLN N N 68 118.089 121.055 -2.966 1
1 852 . 4 1 1 A 69 69 LYS H H 69 8.268 8.561 -0.293 1
1 853 . 4 1 1 A 69 69 LYS HA H 69 4.907 4.498 0.409 1
1 862 . 4 1 1 A 69 69 LYS C C 69 174.226 176.293 -2.067 1
1 863 . 4 1 1 A 69 69 LYS CA C 69 53.598 56.415 -2.817 1
1 864 . 4 1 1 A 69 69 LYS CB C 69 30.096 32.638 -2.542 1
1 868 . 4 1 1 A 69 69 LYS N N 69 125.766 128.382 -2.616 1
1 869 . 4 1 1 A 70 70 VAL H H 70 9.409 8.597 0.812 1
1 870 . 4 1 1 A 70 70 VAL HA H 70 4.723 4.906 -0.183 1
1 878 . 4 1 1 A 70 70 VAL C C 70 172.498 175.723 -3.225 1
1 879 . 4 1 1 A 70 70 VAL CA C 70 56.680 59.457 -2.777 1
1 880 . 4 1 1 A 70 70 VAL CB C 70 33.332 35.423 -2.091 1
1 883 . 4 1 1 A 70 70 VAL N N 70 120.660 120.141 0.519 1
1 884 . 4 1 1 A 71 71 GLY H H 71 8.445 8.572 -0.127 1
1 885 . 4 1 1 A 71 71 GLY HA2 H 71 4.961 4.243 0.718 1
1 886 . 4 1 1 A 71 71 GLY HA3 H 71 3.898 4.352 -0.454 1
1 887 . 4 1 1 A 71 71 GLY C C 71 172.669 174.720 -2.051 1
1 888 . 4 1 1 A 71 71 GLY CA C 71 40.896 44.941 -4.045 1
1 889 . 4 1 1 A 71 71 GLY N N 71 106.755 109.846 -3.091 1
1 890 . 4 1 1 A 72 72 LYS H H 72 8.573 8.830 -0.257 1
1 891 . 4 1 1 A 72 72 LYS HA H 72 3.454 4.341 -0.887 1
1 900 . 4 1 1 A 72 72 LYS C C 72 172.853 177.571 -4.718 1
1 901 . 4 1 1 A 72 72 LYS CA C 72 56.108 57.466 -1.358 1
1 902 . 4 1 1 A 72 72 LYS CB C 72 29.993 33.248 -3.255 1
1 906 . 4 1 1 A 72 72 LYS N N 72 114.685 118.644 -3.959 1
1 907 . 4 1 1 A 73 73 ASP H H 73 8.517 8.035 0.482 1
1 908 . 4 1 1 A 73 73 ASP HA H 73 4.543 4.705 -0.162 1
1 911 . 4 1 1 A 73 73 ASP C C 73 173.041 175.968 -2.927 1
1 912 . 4 1 1 A 73 73 ASP CA C 73 51.118 54.025 -2.907 1
1 913 . 4 1 1 A 73 73 ASP CB C 73 38.311 41.194 -2.883 1
1 914 . 4 1 1 A 73 73 ASP N N 73 115.449 119.564 -4.115 1
1 915 . 4 1 1 A 74 74 HIS H H 74 7.173 7.780 -0.607 1
1 916 . 4 1 1 A 74 74 HIS HA H 74 4.084 4.528 -0.444 1
1 921 . 4 1 1 A 74 74 HIS C C 74 172.466 174.318 -1.852 1
1 922 . 4 1 1 A 74 74 HIS CA C 74 55.483 57.444 -1.961 1
1 923 . 4 1 1 A 74 74 HIS CB C 74 29.868 30.722 -0.854 1
1 926 . 4 1 1 A 74 74 HIS N N 74 120.387 120.357 0.030 1
1 927 . 4 1 1 A 75 75 THR H H 75 7.573 8.068 -0.495 1
1 928 . 4 1 1 A 75 75 THR HA H 75 3.562 4.544 -0.982 1
1 933 . 4 1 1 A 75 75 THR C C 75 170.555 174.373 -3.818 1
1 934 . 4 1 1 A 75 75 THR CA C 75 61.656 61.977 -0.321 1
1 935 . 4 1 1 A 75 75 THR CB C 75 66.449 69.652 -3.203 1
1 937 . 4 1 1 A 75 75 THR N N 75 123.519 120.382 3.137 1
1 938 . 4 1 1 A 76 76 LEU H H 76 8.300 8.683 -0.383 1
1 939 . 4 1 1 A 76 76 LEU HA H 76 4.187 4.621 -0.434 1
1 949 . 4 1 1 A 76 76 LEU C C 76 174.153 175.563 -1.410 1
1 950 . 4 1 1 A 76 76 LEU CA C 76 52.201 54.222 -2.021 1
1 951 . 4 1 1 A 76 76 LEU CB C 76 40.188 42.810 -2.622 1
1 955 . 4 1 1 A 76 76 LEU N N 76 127.705 127.395 0.310 1
1 956 . 4 1 1 A 77 77 GLU H H 77 9.006 8.922 0.084 1
1 957 . 4 1 1 A 77 77 GLU HA H 77 4.295 4.990 -0.695 1
1 962 . 4 1 1 A 77 77 GLU C C 77 172.035 175.813 -3.778 1
1 963 . 4 1 1 A 77 77 GLU CA C 77 51.734 54.435 -2.701 1
1 964 . 4 1 1 A 77 77 GLU CB C 77 30.671 33.664 -2.993 1
1 966 . 4 1 1 A 77 77 GLU N N 77 120.330 119.750 0.580 1
1 967 . 4 1 1 A 78 78 ASP H H 78 8.375 8.718 -0.343 1
1 968 . 4 1 1 A 78 78 ASP HA H 78 4.289 4.546 -0.257 1
1 971 . 4 1 1 A 78 78 ASP C C 78 174.522 175.971 -1.449 1
1 972 . 4 1 1 A 78 78 ASP CA C 78 54.779 54.479 0.300 1
1 973 . 4 1 1 A 78 78 ASP CB C 78 39.200 41.115 -1.915 1
1 974 . 4 1 1 A 78 78 ASP N N 78 116.751 121.516 -4.765 1
1 975 . 4 1 1 A 79 79 GLU H H 79 9.867 8.806 1.061 1
1 976 . 4 1 1 A 79 79 GLU HA H 79 3.685 3.949 -0.264 1
1 981 . 4 1 1 A 79 79 GLU C C 79 172.755 174.469 -1.714 1
1 982 . 4 1 1 A 79 79 GLU CA C 79 57.384 57.325 0.059 1
1 983 . 4 1 1 A 79 79 GLU CB C 79 24.429 28.090 -3.661 1
1 985 . 4 1 1 A 79 79 GLU N N 79 119.409 116.658 2.751 1
1 986 . 4 1 1 A 80 80 ASP H H 80 8.212 7.501 0.711 1
1 987 . 4 1 1 A 80 80 ASP HA H 80 4.833 5.331 -0.498 1
1 990 . 4 1 1 A 80 80 ASP C C 80 171.935 174.769 -2.834 1
1 991 . 4 1 1 A 80 80 ASP CA C 80 53.900 53.052 0.848 1
1 992 . 4 1 1 A 80 80 ASP CB C 80 39.633 44.314 -4.681 1
1 993 . 4 1 1 A 80 80 ASP N N 80 121.227 118.569 2.658 1
1 994 . 4 1 1 A 81 81 VAL H H 81 8.638 8.959 -0.321 1
1 995 . 4 1 1 A 81 81 VAL HA H 81 5.055 5.215 -0.160 1
1 1003 . 4 1 1 A 81 81 VAL C C 81 172.826 175.039 -2.213 1
1 1004 . 4 1 1 A 81 81 VAL CA C 81 57.723 61.580 -3.857 1
1 1005 . 4 1 1 A 81 81 VAL CB C 81 31.767 33.811 -2.044 1
1 1008 . 4 1 1 A 81 81 VAL N N 81 118.946 125.412 -6.466 1
1 1009 . 4 1 1 A 82 82 ILE H H 82 9.007 8.729 0.278 1
1 1010 . 4 1 1 A 82 82 ILE HA H 82 5.789 5.201 0.588 1
1 1020 . 4 1 1 A 82 82 ILE C C 82 170.143 173.428 -3.285 1
1 1021 . 4 1 1 A 82 82 ILE CA C 82 55.824 59.142 -3.318 1
1 1022 . 4 1 1 A 82 82 ILE CB C 82 41.574 42.298 -0.724 1
1 1026 . 4 1 1 A 82 82 ILE N N 82 124.391 127.107 -2.716 1
1 1027 . 4 1 1 A 83 83 GLN H H 83 9.415 8.768 0.647 1
1 1028 . 4 1 1 A 83 83 GLN HA H 83 4.815 4.945 -0.130 1
1 1035 . 4 1 1 A 83 83 GLN C C 83 172.719 174.518 -1.799 1
1 1036 . 4 1 1 A 83 83 GLN CA C 83 52.016 54.882 -2.866 1
1 1037 . 4 1 1 A 83 83 GLN CB C 83 32.094 31.378 0.716 1
1 1039 . 4 1 1 A 83 83 GLN N N 83 127.774 126.844 0.930 1
1 1041 . 4 1 1 A 84 84 ILE H H 84 8.878 8.667 0.211 1
1 1042 . 4 1 1 A 84 84 ILE HA H 84 4.074 4.458 -0.384 1
1 1052 . 4 1 1 A 84 84 ILE C C 84 173.096 175.251 -2.155 1
1 1053 . 4 1 1 A 84 84 ILE CA C 84 57.372 61.440 -4.068 1
1 1054 . 4 1 1 A 84 84 ILE CB C 84 34.771 37.392 -2.621 1
1 1058 . 4 1 1 A 84 84 ILE N N 84 126.673 126.785 -0.112 1
1 1059 . 4 1 1 A 85 85 VAL H H 85 8.562 8.659 -0.097 1
1 1060 . 4 1 1 A 85 85 VAL HA H 85 3.914 4.414 -0.500 1
1 1068 . 4 1 1 A 85 85 VAL C C 85 172.438 174.565 -2.127 1
1 1069 . 4 1 1 A 85 85 VAL CA C 85 60.112 60.732 -0.620 1
1 1070 . 4 1 1 A 85 85 VAL CB C 85 28.964 33.232 -4.268 1
1 1073 . 4 1 1 A 85 85 VAL N N 85 130.400 128.405 1.995 1
1 1074 . 4 1 1 A 86 86 LYS H H 86 8.399 8.614 -0.215 1
1 1075 . 4 1 1 A 86 86 LYS HA H 86 4.640 4.885 -0.245 1
1 1084 . 4 1 1 A 86 86 LYS C C 86 174.388 176.465 -2.077 1
1 1085 . 4 1 1 A 86 86 LYS CA C 86 53.301 54.296 -0.995 1
1 1086 . 4 1 1 A 86 86 LYS CB C 86 32.587 35.007 -2.420 1
1 1090 . 4 1 1 A 86 86 LYS N N 86 126.582 126.369 0.213 1
1 1091 . 4 1 1 A 87 87 LYS H H 87 8.485 8.224 0.261 1
1 1092 . 4 1 1 A 87 87 LYS HA H 87 3.923 4.111 -0.188 1
1 1101 . 4 1 1 A 87 87 LYS C C 87 174.196 176.526 -2.330 1
1 1102 . 4 1 1 A 87 87 LYS CA C 87 55.171 57.389 -2.218 1
1 1103 . 4 1 1 A 87 87 LYS CB C 87 31.274 32.968 -1.694 1
1 1107 . 4 1 1 A 87 87 LYS N N 87 119.203 123.672 -4.469 1
1 1108 . 4 1 1 A 89 89 GLY HA2 H 89 4.034 4.271 -0.237 1
1 1109 . 4 1 1 A 89 89 GLY HA3 H 89 4.034 4.273 -0.239 1
1 1110 . 4 1 1 A 89 89 GLY CA C 89 42.366 44.058 -1.692 1
1 1111 . 4 1 1 A 90 90 PRO HA H 90 4.369 4.413 -0.044 1
1 1118 . 4 1 1 A 90 90 PRO CA C 90 61.070 64.509 -3.439 1
1 1119 . 4 1 1 A 90 90 PRO CB C 90 29.818 32.227 -2.409 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.759 3.798 -0.039 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.759 3.923 -0.164 1
1 3 . 5 1 1 A 7 7 GLY C C 7 171.455 174.725 -3.270 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 42.980 46.038 -3.058 1
1 5 . 5 1 1 A 8 8 TYR H H 8 7.813 7.374 0.439 1
1 6 . 5 1 1 A 8 8 TYR HA H 8 4.391 4.552 -0.161 1
1 13 . 5 1 1 A 8 8 TYR C C 8 173.043 175.901 -2.858 1
1 14 . 5 1 1 A 8 8 TYR CA C 8 55.501 57.791 -2.290 1
1 15 . 5 1 1 A 8 8 TYR CB C 8 36.317 39.044 -2.727 1
1 20 . 5 1 1 A 8 8 TYR N N 8 119.411 118.023 1.388 1
1 21 . 5 1 1 A 9 9 LEU H H 9 7.861 7.426 0.435 1
1 22 . 5 1 1 A 9 9 LEU HA H 9 4.118 4.407 -0.289 1
1 32 . 5 1 1 A 9 9 LEU C C 9 173.714 175.893 -2.179 1
1 33 . 5 1 1 A 9 9 LEU CA C 9 52.544 54.709 -2.165 1
1 34 . 5 1 1 A 9 9 LEU CB C 9 40.106 41.439 -1.333 1
1 38 . 5 1 1 A 9 9 LEU N N 9 123.594 123.131 0.463 1
1 39 . 5 1 1 A 10 10 LYS H H 10 7.976 8.680 -0.704 1
1 40 . 5 1 1 A 10 10 LYS HA H 10 4.108 4.505 -0.397 1
1 49 . 5 1 1 A 10 10 LYS C C 10 172.845 175.617 -2.772 1
1 50 . 5 1 1 A 10 10 LYS CA C 10 54.150 56.508 -2.358 1
1 51 . 5 1 1 A 10 10 LYS CB C 10 30.736 33.194 -2.458 1
1 55 . 5 1 1 A 10 10 LYS N N 10 122.047 128.552 -6.505 1
1 56 . 5 1 1 A 11 11 LEU H H 11 8.102 8.707 -0.605 1
1 57 . 5 1 1 A 11 11 LEU HA H 11 4.711 5.165 -0.454 1
1 67 . 5 1 1 A 11 11 LEU C C 11 173.849 175.731 -1.882 1
1 68 . 5 1 1 A 11 11 LEU CA C 11 51.523 53.512 -1.989 1
1 69 . 5 1 1 A 11 11 LEU CB C 11 41.767 44.582 -2.815 1
1 73 . 5 1 1 A 11 11 LEU N N 11 123.872 125.721 -1.849 1
1 74 . 5 1 1 A 12 12 VAL H H 12 8.956 9.295 -0.339 1
1 75 . 5 1 1 A 12 12 VAL HA H 12 4.044 4.911 -0.867 1
1 83 . 5 1 1 A 12 12 VAL C C 12 171.356 175.275 -3.919 1
1 84 . 5 1 1 A 12 12 VAL CA C 12 59.549 60.177 -0.628 1
1 85 . 5 1 1 A 12 12 VAL CB C 12 31.500 33.783 -2.283 1
1 88 . 5 1 1 A 12 12 VAL N N 12 122.036 120.942 1.094 1
1 89 . 5 1 1 A 13 13 ARG H H 13 9.211 8.315 0.896 1
1 90 . 5 1 1 A 13 13 ARG HA H 13 4.434 4.679 -0.245 1
1 98 . 5 1 1 A 13 13 ARG C C 13 171.964 175.140 -3.176 1
1 99 . 5 1 1 A 13 13 ARG CA C 13 52.791 55.996 -3.205 1
1 100 . 5 1 1 A 13 13 ARG CB C 13 29.067 30.821 -1.754 1
1 103 . 5 1 1 A 13 13 ARG N N 13 125.178 123.723 1.455 1
1 105 . 5 1 1 A 14 14 ILE H H 14 8.811 8.547 0.264 1
1 106 . 5 1 1 A 14 14 ILE HA H 14 4.592 4.559 0.033 1
1 116 . 5 1 1 A 14 14 ILE C C 14 173.197 174.930 -1.733 1
1 117 . 5 1 1 A 14 14 ILE CA C 14 55.308 60.283 -4.975 1
1 118 . 5 1 1 A 14 14 ILE CB C 14 36.411 40.067 -3.656 1
1 122 . 5 1 1 A 14 14 ILE N N 14 122.061 123.169 -1.108 1
1 123 . 5 1 1 A 15 15 TYR H H 15 8.781 8.801 -0.020 1
1 124 . 5 1 1 A 15 15 TYR HA H 15 5.103 4.891 0.212 1
1 131 . 5 1 1 A 15 15 TYR C C 15 172.764 175.614 -2.850 1
1 132 . 5 1 1 A 15 15 TYR CA C 15 53.740 58.515 -4.775 1
1 133 . 5 1 1 A 15 15 TYR CB C 15 37.340 39.196 -1.856 1
1 138 . 5 1 1 A 15 15 TYR N N 15 125.241 128.524 -3.283 1
1 139 . 5 1 1 A 16 16 THR H H 16 8.961 8.968 -0.007 1
1 140 . 5 1 1 A 16 16 THR HA H 16 4.806 4.938 -0.132 1
1 145 . 5 1 1 A 16 16 THR C C 16 171.478 173.588 -2.110 1
1 146 . 5 1 1 A 16 16 THR CA C 16 59.180 61.197 -2.017 1
1 147 . 5 1 1 A 16 16 THR CB C 16 68.174 70.302 -2.128 1
1 149 . 5 1 1 A 16 16 THR N N 16 116.007 118.987 -2.980 1
1 150 . 5 1 1 A 17 17 LYS H H 17 8.397 8.970 -0.573 1
1 151 . 5 1 1 A 17 17 LYS HA H 17 4.446 4.946 -0.500 1
1 160 . 5 1 1 A 17 17 LYS C C 17 170.870 174.831 -3.961 1
1 161 . 5 1 1 A 17 17 LYS CA C 17 50.238 52.798 -2.560 1
1 162 . 5 1 1 A 17 17 LYS CB C 17 32.677 34.345 -1.668 1
1 166 . 5 1 1 A 17 17 LYS N N 17 125.122 129.069 -3.947 1
1 167 . 5 1 1 A 18 18 PRO HA H 18 4.474 4.553 -0.079 1
1 174 . 5 1 1 A 18 18 PRO C C 18 174.170 177.055 -2.885 1
1 175 . 5 1 1 A 18 18 PRO CA C 18 59.250 62.646 -3.396 1
1 176 . 5 1 1 A 18 18 PRO CB C 18 29.517 31.866 -2.349 1
1 179 . 5 1 1 A 19 19 LYS H H 19 8.467 8.371 0.096 1
1 180 . 5 1 1 A 19 19 LYS HA H 19 3.887 4.137 -0.250 1
1 187 . 5 1 1 A 19 19 LYS C C 19 175.944 177.090 -1.146 1
1 188 . 5 1 1 A 19 19 LYS CA C 19 55.732 56.926 -1.194 1
1 189 . 5 1 1 A 19 19 LYS CB C 19 29.818 31.773 -1.955 1
1 193 . 5 1 1 A 19 19 LYS N N 19 121.921 120.056 1.865 1
1 194 . 5 1 1 A 20 20 GLY HA2 H 20 3.958 4.002 -0.044 1
1 195 . 5 1 1 A 20 20 GLY HA3 H 20 3.676 4.006 -0.330 1
1 196 . 5 1 1 A 20 20 GLY C C 20 171.329 174.684 -3.355 1
1 197 . 5 1 1 A 20 20 GLY CA C 20 43.304 45.193 -1.889 1
1 198 . 5 1 1 A 21 21 GLN H H 21 7.553 7.939 -0.386 1
1 199 . 5 1 1 A 21 21 GLN HA H 21 4.581 4.357 0.224 1
1 206 . 5 1 1 A 21 21 GLN C C 21 172.091 175.857 -3.766 1
1 207 . 5 1 1 A 21 21 GLN CA C 21 51.330 56.053 -4.723 1
1 208 . 5 1 1 A 21 21 GLN CB C 21 29.767 30.363 -0.596 1
1 210 . 5 1 1 A 21 21 GLN N N 21 117.269 120.403 -3.134 1
1 212 . 5 1 1 A 22 22 LEU H H 22 8.048 8.298 -0.250 1
1 213 . 5 1 1 A 22 22 LEU HA H 22 4.292 4.721 -0.429 1
1 223 . 5 1 1 A 22 22 LEU C C 22 171.986 175.162 -3.176 1
1 224 . 5 1 1 A 22 22 LEU CA C 22 50.950 52.774 -1.824 1
1 225 . 5 1 1 A 22 22 LEU CB C 22 38.362 42.169 -3.807 1
1 229 . 5 1 1 A 22 22 LEU N N 22 119.689 120.320 -0.631 1
1 230 . 5 1 1 A 23 23 PRO HA H 23 4.196 4.756 -0.560 1
1 237 . 5 1 1 A 23 23 PRO C C 23 172.331 176.091 -3.760 1
1 238 . 5 1 1 A 23 23 PRO CA C 23 59.882 62.615 -2.733 1
1 239 . 5 1 1 A 23 23 PRO CB C 23 28.948 32.170 -3.222 1
1 242 . 5 1 1 A 24 24 ASP H H 24 8.191 8.509 -0.318 1
1 243 . 5 1 1 A 24 24 ASP HA H 24 4.649 4.371 0.278 1
1 246 . 5 1 1 A 24 24 ASP C C 24 175.312 176.301 -0.989 1
1 247 . 5 1 1 A 24 24 ASP CA C 24 49.710 53.823 -4.113 1
1 248 . 5 1 1 A 24 24 ASP CB C 24 37.229 41.992 -4.763 1
1 249 . 5 1 1 A 24 24 ASP N N 24 118.307 122.206 -3.899 1
1 250 . 5 1 1 A 25 25 TYR H H 25 8.171 8.930 -0.759 1
1 251 . 5 1 1 A 25 25 TYR HA H 25 4.173 5.057 -0.884 1
1 258 . 5 1 1 A 25 25 TYR C C 25 173.720 176.331 -2.611 1
1 259 . 5 1 1 A 25 25 TYR CA C 25 57.297 57.209 0.088 1
1 260 . 5 1 1 A 25 25 TYR CB C 25 34.897 38.308 -3.411 1
1 265 . 5 1 1 A 25 25 TYR N N 25 123.576 124.176 -0.600 1
1 266 . 5 1 1 A 26 26 THR H H 26 8.278 7.532 0.746 1
1 267 . 5 1 1 A 26 26 THR HA H 26 4.343 4.739 -0.396 1
1 272 . 5 1 1 A 26 26 THR C C 26 173.145 175.207 -2.062 1
1 273 . 5 1 1 A 26 26 THR CA C 26 60.799 61.610 -0.811 1
1 274 . 5 1 1 A 26 26 THR CB C 26 67.379 70.710 -3.331 1
1 276 . 5 1 1 A 26 26 THR N N 26 109.145 110.910 -1.765 1
1 277 . 5 1 1 A 27 27 SER H H 27 7.085 8.082 -0.997 1
1 278 . 5 1 1 A 27 27 SER HA H 27 5.002 4.993 0.009 1
1 281 . 5 1 1 A 27 27 SER C C 27 169.729 171.654 -1.925 1
1 282 . 5 1 1 A 27 27 SER CA C 27 52.526 55.971 -3.445 1
1 283 . 5 1 1 A 27 27 SER CB C 27 61.215 63.794 -2.579 1
1 284 . 5 1 1 A 27 27 SER N N 27 114.134 116.822 -2.688 1
1 285 . 5 1 1 A 28 28 PRO HA H 28 4.553 4.770 -0.217 1
1 292 . 5 1 1 A 28 28 PRO C C 28 174.448 175.470 -1.022 1
1 293 . 5 1 1 A 28 28 PRO CA C 28 60.482 62.397 -1.915 1
1 294 . 5 1 1 A 28 28 PRO CB C 28 29.224 33.255 -4.031 1
1 297 . 5 1 1 A 29 29 VAL H H 29 9.191 7.977 1.214 1
1 298 . 5 1 1 A 29 29 VAL HA H 29 3.946 4.814 -0.868 1
1 306 . 5 1 1 A 29 29 VAL C C 29 172.641 173.702 -1.061 1
1 307 . 5 1 1 A 29 29 VAL CA C 29 60.367 59.836 0.531 1
1 308 . 5 1 1 A 29 29 VAL CB C 29 30.546 35.128 -4.582 1
1 311 . 5 1 1 A 29 29 VAL N N 29 123.735 119.733 4.002 1
1 312 . 5 1 1 A 30 30 VAL H H 30 8.169 8.861 -0.692 1
1 313 . 5 1 1 A 30 30 VAL HA H 30 4.940 4.569 0.371 1
1 321 . 5 1 1 A 30 30 VAL C C 30 173.560 175.003 -1.443 1
1 322 . 5 1 1 A 30 30 VAL CA C 30 58.568 61.740 -3.172 1
1 323 . 5 1 1 A 30 30 VAL CB C 30 30.303 31.634 -1.331 1
1 326 . 5 1 1 A 30 30 VAL N N 30 125.255 128.770 -3.515 1
1 327 . 5 1 1 A 31 31 LEU H H 31 8.889 8.602 0.287 1
1 328 . 5 1 1 A 31 31 LEU HA H 31 4.816 4.754 0.062 1
1 338 . 5 1 1 A 31 31 LEU C C 31 171.113 174.666 -3.553 1
1 339 . 5 1 1 A 31 31 LEU CA C 31 48.760 52.399 -3.639 1
1 340 . 5 1 1 A 31 31 LEU CB C 31 40.938 41.904 -0.966 1
1 344 . 5 1 1 A 31 31 LEU N N 31 127.017 128.478 -1.461 1
1 345 . 5 1 1 A 32 32 PRO HA H 32 4.531 4.588 -0.057 1
1 352 . 5 1 1 A 32 32 PRO C C 32 174.294 177.308 -3.014 1
1 353 . 5 1 1 A 32 32 PRO CA C 32 59.648 62.620 -2.972 1
1 354 . 5 1 1 A 32 32 PRO CB C 32 29.349 32.825 -3.476 1
1 357 . 5 1 1 A 33 33 TYR H H 33 8.105 9.017 -0.912 1
1 358 . 5 1 1 A 33 33 TYR HA H 33 3.788 3.998 -0.210 1
1 365 . 5 1 1 A 33 33 TYR C C 33 173.470 177.178 -3.708 1
1 366 . 5 1 1 A 33 33 TYR CA C 33 58.159 62.096 -3.937 1
1 367 . 5 1 1 A 33 33 TYR CB C 33 36.244 38.648 -2.404 1
1 372 . 5 1 1 A 33 33 TYR N N 33 120.060 125.763 -5.703 1
1 373 . 5 1 1 A 34 34 SER H H 34 7.868 8.487 -0.619 1
1 374 . 5 1 1 A 34 34 SER HA H 34 3.814 4.430 -0.616 1
1 377 . 5 1 1 A 34 34 SER C C 34 171.946 174.917 -2.971 1
1 378 . 5 1 1 A 34 34 SER CA C 34 58.212 61.459 -3.247 1
1 379 . 5 1 1 A 34 34 SER CB C 34 60.928 63.105 -2.177 1
1 380 . 5 1 1 A 34 34 SER N N 34 116.733 113.959 2.774 1
1 381 . 5 1 1 A 35 35 ARG H H 35 7.883 8.043 -0.160 1
1 382 . 5 1 1 A 35 35 ARG HA H 35 4.575 4.648 -0.073 1
1 389 . 5 1 1 A 35 35 ARG C C 35 172.091 174.764 -2.673 1
1 390 . 5 1 1 A 35 35 ARG CA C 35 52.067 55.021 -2.954 1
1 391 . 5 1 1 A 35 35 ARG CB C 35 28.228 30.474 -2.246 1
1 394 . 5 1 1 A 35 35 ARG N N 35 125.492 119.686 5.806 1
1 395 . 5 1 1 A 36 36 THR H H 36 7.874 8.688 -0.814 1
1 396 . 5 1 1 A 36 36 THR HA H 36 4.613 5.251 -0.638 1
1 401 . 5 1 1 A 36 36 THR C C 36 173.095 173.598 -0.503 1
1 402 . 5 1 1 A 36 36 THR CA C 36 57.029 60.625 -3.596 1
1 403 . 5 1 1 A 36 36 THR CB C 36 66.113 70.952 -4.839 1
1 405 . 5 1 1 A 36 36 THR N N 36 107.510 114.974 -7.464 1
1 406 . 5 1 1 A 37 37 THR H H 37 8.804 8.450 0.354 1
1 407 . 5 1 1 A 37 37 THR HA H 37 5.288 4.809 0.479 1
1 412 . 5 1 1 A 37 37 THR C C 37 174.234 174.439 -0.205 1
1 413 . 5 1 1 A 37 37 THR CA C 37 59.681 60.460 -0.779 1
1 414 . 5 1 1 A 37 37 THR CB C 37 70.032 71.180 -1.148 1
1 416 . 5 1 1 A 37 37 THR N N 37 112.714 117.227 -4.513 1
1 417 . 5 1 1 A 38 38 VAL H H 38 8.269 9.103 -0.834 1
1 418 . 5 1 1 A 38 38 VAL HA H 38 3.485 3.664 -0.179 1
1 426 . 5 1 1 A 38 38 VAL C C 38 175.909 177.356 -1.447 1
1 427 . 5 1 1 A 38 38 VAL CA C 38 64.496 66.916 -2.420 1
1 428 . 5 1 1 A 38 38 VAL CB C 38 29.015 31.578 -2.563 1
1 431 . 5 1 1 A 38 38 VAL N N 38 121.372 122.669 -1.297 1
1 432 . 5 1 1 A 39 39 GLU H H 39 8.597 8.013 0.584 1
1 433 . 5 1 1 A 39 39 GLU HA H 39 3.495 3.841 -0.346 1
1 438 . 5 1 1 A 39 39 GLU C C 39 174.769 178.373 -3.604 1
1 439 . 5 1 1 A 39 39 GLU CA C 39 58.418 59.107 -0.689 1
1 440 . 5 1 1 A 39 39 GLU CB C 39 27.358 29.249 -1.891 1
1 442 . 5 1 1 A 39 39 GLU N N 39 121.954 119.253 2.701 1
1 443 . 5 1 1 A 40 40 ASP H H 40 7.493 8.138 -0.645 1
1 444 . 5 1 1 A 40 40 ASP HA H 40 4.071 4.306 -0.235 1
1 447 . 5 1 1 A 40 40 ASP C C 40 176.738 178.287 -1.549 1
1 448 . 5 1 1 A 40 40 ASP CA C 40 55.877 57.097 -1.220 1
1 449 . 5 1 1 A 40 40 ASP CB C 40 38.721 41.766 -3.045 1
1 450 . 5 1 1 A 40 40 ASP N N 40 119.054 120.288 -1.234 1
1 451 . 5 1 1 A 41 41 PHE H H 41 8.429 8.160 0.269 1
1 452 . 5 1 1 A 41 41 PHE HA H 41 3.750 4.108 -0.358 1
1 460 . 5 1 1 A 41 41 PHE C C 41 173.786 176.878 -3.092 1
1 461 . 5 1 1 A 41 41 PHE CA C 41 59.851 61.250 -1.399 1
1 462 . 5 1 1 A 41 41 PHE CB C 41 36.135 38.859 -2.724 1
1 468 . 5 1 1 A 41 41 PHE N N 41 121.017 119.897 1.120 1
1 469 . 5 1 1 A 42 42 CYS H H 42 8.527 8.122 0.405 1
1 470 . 5 1 1 A 42 42 CYS HA H 42 3.752 4.291 -0.539 1
1 473 . 5 1 1 A 42 42 CYS C C 42 174.065 177.250 -3.185 1
1 474 . 5 1 1 A 42 42 CYS CA C 42 62.453 62.459 -0.006 1
1 475 . 5 1 1 A 42 42 CYS CB C 42 24.429 26.774 -2.345 1
1 476 . 5 1 1 A 42 42 CYS N N 42 116.390 117.074 -0.684 1
1 477 . 5 1 1 A 43 43 MET H H 43 7.739 8.100 -0.361 1
1 478 . 5 1 1 A 43 43 MET HA H 43 3.885 4.140 -0.255 1
1 486 . 5 1 1 A 43 43 MET C C 43 175.345 178.717 -3.372 1
1 487 . 5 1 1 A 43 43 MET CA C 43 54.460 58.330 -3.870 1
1 488 . 5 1 1 A 43 43 MET CB C 43 28.872 32.417 -3.545 1
1 491 . 5 1 1 A 43 43 MET N N 43 114.377 119.521 -5.144 1
1 492 . 5 1 1 A 44 44 LYS H H 44 7.257 7.634 -0.377 1
1 493 . 5 1 1 A 44 44 LYS HA H 44 3.896 3.928 -0.032 1
1 502 . 5 1 1 A 44 44 LYS C C 44 175.198 178.772 -3.574 1
1 503 . 5 1 1 A 44 44 LYS CA C 44 54.181 58.797 -4.616 1
1 504 . 5 1 1 A 44 44 LYS CB C 44 29.291 31.966 -2.675 1
1 508 . 5 1 1 A 44 44 LYS N N 44 117.480 118.563 -1.083 1
1 509 . 5 1 1 A 45 45 ILE H H 45 7.146 6.966 0.180 1
1 510 . 5 1 1 A 45 45 ILE HA H 45 3.697 3.944 -0.247 1
1 520 . 5 1 1 A 45 45 ILE C C 45 174.894 176.278 -1.384 1
1 521 . 5 1 1 A 45 45 ILE CA C 45 59.954 63.857 -3.903 1
1 522 . 5 1 1 A 45 45 ILE CB C 45 33.943 38.519 -4.576 1
1 526 . 5 1 1 A 45 45 ILE N N 45 119.267 117.395 1.872 1
1 527 . 5 1 1 A 46 46 HIS H H 46 7.982 8.021 -0.039 1
1 528 . 5 1 1 A 46 46 HIS HA H 46 4.200 4.800 -0.600 1
1 533 . 5 1 1 A 46 46 HIS C C 46 173.349 175.556 -2.207 1
1 534 . 5 1 1 A 46 46 HIS CA C 46 56.363 55.800 0.563 1
1 535 . 5 1 1 A 46 46 HIS CB C 46 30.998 32.493 -1.495 1
1 538 . 5 1 1 A 46 46 HIS N N 46 116.498 117.545 -1.047 1
1 539 . 5 1 1 A 47 47 LYS H H 47 8.478 8.413 0.065 1
1 540 . 5 1 1 A 47 47 LYS HA H 47 4.091 3.934 0.157 1
1 545 . 5 1 1 A 47 47 LYS C C 47 174.519 176.790 -2.271 1
1 546 . 5 1 1 A 47 47 LYS CA C 47 57.279 58.510 -1.231 1
1 547 . 5 1 1 A 47 47 LYS CB C 47 29.709 31.870 -2.161 1
1 551 . 5 1 1 A 47 47 LYS N N 47 127.686 124.194 3.492 1
1 552 . 5 1 1 A 48 48 ASN H H 48 10.623 7.654 2.969 1
1 553 . 5 1 1 A 48 48 ASN HA H 48 4.839 5.114 -0.275 1
1 558 . 5 1 1 A 48 48 ASN C C 48 175.138 175.982 -0.844 1
1 559 . 5 1 1 A 48 48 ASN CA C 48 50.960 52.729 -1.769 1
1 560 . 5 1 1 A 48 48 ASN CB C 48 36.975 39.154 -2.179 1
1 561 . 5 1 1 A 48 48 ASN N N 48 118.711 117.553 1.158 1
1 563 . 5 1 1 A 49 49 LEU H H 49 7.796 7.937 -0.141 1
1 564 . 5 1 1 A 49 49 LEU HA H 49 4.103 4.371 -0.268 1
1 574 . 5 1 1 A 49 49 LEU C C 49 176.976 178.279 -1.303 1
1 575 . 5 1 1 A 49 49 LEU CA C 49 56.381 57.206 -0.825 1
1 576 . 5 1 1 A 49 49 LEU CB C 49 39.064 42.903 -3.839 1
1 580 . 5 1 1 A 49 49 LEU N N 49 124.676 120.957 3.719 1
1 581 . 5 1 1 A 50 50 ILE H H 50 9.052 8.052 1.000 1
1 582 . 5 1 1 A 50 50 ILE HA H 50 4.060 3.849 0.211 1
1 592 . 5 1 1 A 50 50 ILE C C 50 173.983 177.745 -3.762 1
1 593 . 5 1 1 A 50 50 ILE CA C 50 57.842 64.264 -6.422 1
1 594 . 5 1 1 A 50 50 ILE CB C 50 35.943 37.791 -1.848 1
1 598 . 5 1 1 A 50 50 ILE N N 50 116.565 119.446 -2.881 1
1 599 . 5 1 1 A 51 51 LYS H H 51 7.275 8.008 -0.733 1
1 600 . 5 1 1 A 51 51 LYS HA H 51 4.143 3.948 0.195 1
1 609 . 5 1 1 A 51 51 LYS C C 51 175.668 178.692 -3.024 1
1 610 . 5 1 1 A 51 51 LYS CA C 51 55.696 60.376 -4.680 1
1 611 . 5 1 1 A 51 51 LYS CB C 51 29.767 31.994 -2.227 1
1 615 . 5 1 1 A 51 51 LYS N N 51 119.864 122.431 -2.567 1
1 616 . 5 1 1 A 52 52 GLU H H 52 7.590 7.794 -0.204 1
1 617 . 5 1 1 A 52 52 GLU HA H 52 4.319 4.392 -0.073 1
1 622 . 5 1 1 A 52 52 GLU C C 52 173.088 176.656 -3.568 1
1 623 . 5 1 1 A 52 52 GLU CA C 52 53.301 57.028 -3.727 1
1 624 . 5 1 1 A 52 52 GLU CB C 52 28.778 30.448 -1.670 1
1 626 . 5 1 1 A 52 52 GLU N N 52 116.453 116.612 -0.159 1
1 627 . 5 1 1 A 53 53 PHE H H 53 7.423 8.168 -0.745 1
1 628 . 5 1 1 A 53 53 PHE HA H 53 3.608 4.360 -0.752 1
1 636 . 5 1 1 A 53 53 PHE C C 53 170.946 175.275 -4.329 1
1 637 . 5 1 1 A 53 53 PHE CA C 53 57.983 59.513 -1.530 1
1 638 . 5 1 1 A 53 53 PHE CB C 53 38.913 39.975 -1.062 1
1 644 . 5 1 1 A 53 53 PHE N N 53 120.950 123.269 -2.319 1
1 645 . 5 1 1 A 54 54 LYS H H 54 8.385 8.890 -0.505 1
1 646 . 5 1 1 A 54 54 LYS HA H 54 4.268 4.228 0.040 1
1 655 . 5 1 1 A 54 54 LYS C C 54 173.038 175.241 -2.203 1
1 656 . 5 1 1 A 54 54 LYS CA C 54 55.263 57.322 -2.059 1
1 657 . 5 1 1 A 54 54 LYS CB C 54 32.730 34.158 -1.428 1
1 661 . 5 1 1 A 54 54 LYS N N 54 128.686 126.820 1.866 1
1 662 . 5 1 1 A 55 55 TYR H H 55 7.083 7.171 -0.088 1
1 663 . 5 1 1 A 55 55 TYR HA H 55 4.120 4.783 -0.663 1
1 670 . 5 1 1 A 55 55 TYR C C 55 168.503 172.937 -4.434 1
1 671 . 5 1 1 A 55 55 TYR CA C 55 55.198 55.948 -0.750 1
1 672 . 5 1 1 A 55 55 TYR CB C 55 35.633 40.834 -5.201 1
1 677 . 5 1 1 A 55 55 TYR N N 55 110.963 113.089 -2.126 1
1 678 . 5 1 1 A 56 56 ALA H H 56 8.836 8.857 -0.021 1
1 679 . 5 1 1 A 56 56 ALA HA H 56 5.293 5.293 0.000 1
1 683 . 5 1 1 A 56 56 ALA C C 56 172.993 175.951 -2.958 1
1 684 . 5 1 1 A 56 56 ALA CA C 56 47.088 50.554 -3.466 1
1 685 . 5 1 1 A 56 56 ALA CB C 56 20.287 22.520 -2.233 1
1 686 . 5 1 1 A 56 56 ALA N N 56 118.379 122.203 -3.824 1
1 687 . 5 1 1 A 57 57 LEU H H 57 8.880 8.834 0.046 1
1 688 . 5 1 1 A 57 57 LEU HA H 57 4.854 4.650 0.204 1
1 698 . 5 1 1 A 57 57 LEU C C 57 172.904 175.241 -2.337 1
1 699 . 5 1 1 A 57 57 LEU CA C 57 50.872 53.318 -2.446 1
1 700 . 5 1 1 A 57 57 LEU CB C 57 42.160 41.596 0.564 1
1 704 . 5 1 1 A 57 57 LEU N N 57 121.382 122.759 -1.377 1
1 705 . 5 1 1 A 58 58 VAL H H 58 8.123 8.376 -0.253 1
1 706 . 5 1 1 A 58 58 VAL HA H 58 5.243 4.570 0.673 1
1 714 . 5 1 1 A 58 58 VAL C C 58 171.929 175.118 -3.189 1
1 715 . 5 1 1 A 58 58 VAL CA C 58 57.683 61.819 -4.136 1
1 716 . 5 1 1 A 58 58 VAL CB C 58 33.036 32.074 0.962 1
1 719 . 5 1 1 A 58 58 VAL N N 58 120.400 124.646 -4.246 1
1 720 . 5 1 1 A 59 59 TRP H H 59 9.316 8.816 0.500 1
1 721 . 5 1 1 A 59 59 TRP HA H 59 4.843 5.176 -0.333 1
1 730 . 5 1 1 A 59 59 TRP C C 59 173.582 176.415 -2.833 1
1 731 . 5 1 1 A 59 59 TRP CA C 59 54.736 54.964 -0.228 1
1 732 . 5 1 1 A 59 59 TRP CB C 59 30.514 30.867 -0.353 1
1 738 . 5 1 1 A 59 59 TRP N N 59 127.196 127.071 0.125 1
1 740 . 5 1 1 A 60 60 GLY H H 60 8.531 8.376 0.155 1
1 741 . 5 1 1 A 60 60 GLY HA2 H 60 4.934 4.243 0.691 1
1 742 . 5 1 1 A 60 60 GLY HA3 H 60 4.123 4.247 -0.124 1
1 743 . 5 1 1 A 60 60 GLY C C 60 171.378 173.960 -2.582 1
1 744 . 5 1 1 A 60 60 GLY CA C 60 42.587 46.068 -3.481 1
1 745 . 5 1 1 A 60 60 GLY N N 60 110.481 110.433 0.048 1
1 746 . 5 1 1 A 61 61 LEU H H 61 8.188 8.859 -0.671 1
1 747 . 5 1 1 A 61 61 LEU HA H 61 4.141 3.992 0.149 1
1 757 . 5 1 1 A 61 61 LEU C C 61 176.897 178.898 -2.001 1
1 758 . 5 1 1 A 61 61 LEU CA C 61 54.357 57.373 -3.016 1
1 759 . 5 1 1 A 61 61 LEU CB C 61 39.942 41.684 -1.742 1
1 763 . 5 1 1 A 61 61 LEU N N 61 118.667 120.622 -1.955 1
1 764 . 5 1 1 A 62 62 SER H H 62 8.123 8.129 -0.006 1
1 765 . 5 1 1 A 62 62 SER HA H 62 4.284 4.242 0.042 1
1 768 . 5 1 1 A 62 62 SER C C 62 171.932 174.713 -2.781 1
1 769 . 5 1 1 A 62 62 SER CA C 62 57.279 62.093 -4.814 1
1 770 . 5 1 1 A 62 62 SER CB C 62 60.354 62.876 -2.522 1
1 771 . 5 1 1 A 62 62 SER N N 62 110.946 113.093 -2.147 1
1 772 . 5 1 1 A 63 63 VAL H H 63 7.174 7.659 -0.485 1
1 773 . 5 1 1 A 63 63 VAL HA H 63 4.503 4.678 -0.175 1
1 781 . 5 1 1 A 63 63 VAL C C 63 173.221 175.162 -1.941 1
1 782 . 5 1 1 A 63 63 VAL CA C 63 57.573 59.231 -1.658 1
1 783 . 5 1 1 A 63 63 VAL CB C 63 31.826 34.456 -2.630 1
1 786 . 5 1 1 A 63 63 VAL N N 63 114.625 117.026 -2.401 1
1 787 . 5 1 1 A 64 64 LYS H H 64 8.112 8.899 -0.787 1
1 788 . 5 1 1 A 64 64 LYS HA H 64 4.105 4.383 -0.278 1
1 796 . 5 1 1 A 64 64 LYS C C 64 174.259 176.142 -1.883 1
1 797 . 5 1 1 A 64 64 LYS CA C 64 54.586 57.091 -2.505 1
1 798 . 5 1 1 A 64 64 LYS CB C 64 30.837 33.834 -2.997 1
1 802 . 5 1 1 A 64 64 LYS N N 64 119.722 120.602 -0.880 1
1 803 . 5 1 1 A 65 65 HIS H H 65 7.496 7.704 -0.208 1
1 804 . 5 1 1 A 65 65 HIS HA H 65 4.497 5.133 -0.636 1
1 809 . 5 1 1 A 65 65 HIS C C 65 170.028 174.260 -4.232 1
1 810 . 5 1 1 A 65 65 HIS CA C 65 52.491 54.523 -2.032 1
1 811 . 5 1 1 A 65 65 HIS CB C 65 29.149 31.593 -2.444 1
1 814 . 5 1 1 A 65 65 HIS N N 65 117.336 115.712 1.624 1
1 815 . 5 1 1 A 66 66 ASN H H 66 8.135 9.179 -1.044 1
1 816 . 5 1 1 A 66 66 ASN HA H 66 4.986 5.123 -0.137 1
1 821 . 5 1 1 A 66 66 ASN C C 66 171.088 173.346 -2.258 1
1 822 . 5 1 1 A 66 66 ASN CA C 66 47.732 50.617 -2.885 1
1 823 . 5 1 1 A 66 66 ASN CB C 66 39.365 39.829 -0.464 1
1 824 . 5 1 1 A 66 66 ASN N N 66 118.616 121.689 -3.073 1
1 826 . 5 1 1 A 67 67 PRO HA H 67 4.408 4.248 0.160 1
1 833 . 5 1 1 A 67 67 PRO C C 67 173.325 175.512 -2.187 1
1 834 . 5 1 1 A 67 67 PRO CA C 67 60.535 62.678 -2.143 1
1 835 . 5 1 1 A 67 67 PRO CB C 67 31.065 32.290 -1.225 1
1 838 . 5 1 1 A 68 68 GLN H H 68 8.323 8.231 0.092 1
1 839 . 5 1 1 A 68 68 GLN HA H 68 4.295 4.497 -0.202 1
1 846 . 5 1 1 A 68 68 GLN C C 68 172.005 174.743 -2.738 1
1 847 . 5 1 1 A 68 68 GLN CA C 68 51.805 54.675 -2.870 1
1 848 . 5 1 1 A 68 68 GLN CB C 68 30.014 30.961 -0.947 1
1 850 . 5 1 1 A 68 68 GLN N N 68 118.089 121.126 -3.037 1
1 852 . 5 1 1 A 69 69 LYS H H 69 8.268 8.607 -0.339 1
1 853 . 5 1 1 A 69 69 LYS HA H 69 4.907 4.491 0.416 1
1 862 . 5 1 1 A 69 69 LYS C C 69 174.226 176.244 -2.018 1
1 863 . 5 1 1 A 69 69 LYS CA C 69 53.598 56.476 -2.878 1
1 864 . 5 1 1 A 69 69 LYS CB C 69 30.096 32.725 -2.629 1
1 868 . 5 1 1 A 69 69 LYS N N 69 125.766 128.506 -2.740 1
1 869 . 5 1 1 A 70 70 VAL H H 70 9.409 8.750 0.659 1
1 870 . 5 1 1 A 70 70 VAL HA H 70 4.723 5.028 -0.305 1
1 878 . 5 1 1 A 70 70 VAL C C 70 172.498 176.137 -3.639 1
1 879 . 5 1 1 A 70 70 VAL CA C 70 56.680 59.977 -3.297 1
1 880 . 5 1 1 A 70 70 VAL CB C 70 33.332 34.048 -0.716 1
1 883 . 5 1 1 A 70 70 VAL N N 70 120.660 121.411 -0.751 1
1 884 . 5 1 1 A 71 71 GLY H H 71 8.445 8.515 -0.070 1
1 885 . 5 1 1 A 71 71 GLY HA2 H 71 4.961 4.265 0.696 1
1 886 . 5 1 1 A 71 71 GLY HA3 H 71 3.898 4.335 -0.437 1
1 887 . 5 1 1 A 71 71 GLY C C 71 172.669 174.904 -2.235 1
1 888 . 5 1 1 A 71 71 GLY CA C 71 40.896 44.485 -3.589 1
1 889 . 5 1 1 A 71 71 GLY N N 71 106.755 109.824 -3.069 1
1 890 . 5 1 1 A 72 72 LYS H H 72 8.573 8.952 -0.379 1
1 891 . 5 1 1 A 72 72 LYS HA H 72 3.454 4.028 -0.574 1
1 900 . 5 1 1 A 72 72 LYS C C 72 172.853 177.643 -4.790 1
1 901 . 5 1 1 A 72 72 LYS CA C 72 56.108 58.454 -2.346 1
1 902 . 5 1 1 A 72 72 LYS CB C 72 29.993 32.933 -2.940 1
1 906 . 5 1 1 A 72 72 LYS N N 72 114.685 118.128 -3.443 1
1 907 . 5 1 1 A 73 73 ASP H H 73 8.517 7.851 0.666 1
1 908 . 5 1 1 A 73 73 ASP HA H 73 4.543 4.673 -0.130 1
1 911 . 5 1 1 A 73 73 ASP C C 73 173.041 176.088 -3.047 1
1 912 . 5 1 1 A 73 73 ASP CA C 73 51.118 54.711 -3.593 1
1 913 . 5 1 1 A 73 73 ASP CB C 73 38.311 41.109 -2.798 1
1 914 . 5 1 1 A 73 73 ASP N N 73 115.449 119.433 -3.984 1
1 915 . 5 1 1 A 74 74 HIS H H 74 7.173 7.685 -0.512 1
1 916 . 5 1 1 A 74 74 HIS HA H 74 4.084 4.430 -0.346 1
1 921 . 5 1 1 A 74 74 HIS C C 74 172.466 174.828 -2.362 1
1 922 . 5 1 1 A 74 74 HIS CA C 74 55.483 57.740 -2.257 1
1 923 . 5 1 1 A 74 74 HIS CB C 74 29.868 30.638 -0.770 1
1 926 . 5 1 1 A 74 74 HIS N N 74 120.387 120.076 0.311 1
1 927 . 5 1 1 A 75 75 THR H H 75 7.573 8.229 -0.656 1
1 928 . 5 1 1 A 75 75 THR HA H 75 3.562 4.386 -0.824 1
1 933 . 5 1 1 A 75 75 THR C C 75 170.555 174.134 -3.579 1
1 934 . 5 1 1 A 75 75 THR CA C 75 61.656 62.718 -1.062 1
1 935 . 5 1 1 A 75 75 THR CB C 75 66.449 69.601 -3.152 1
1 937 . 5 1 1 A 75 75 THR N N 75 123.519 120.385 3.134 1
1 938 . 5 1 1 A 76 76 LEU H H 76 8.300 8.500 -0.200 1
1 939 . 5 1 1 A 76 76 LEU HA H 76 4.187 4.820 -0.633 1
1 949 . 5 1 1 A 76 76 LEU C C 76 174.153 175.491 -1.338 1
1 950 . 5 1 1 A 76 76 LEU CA C 76 52.201 53.524 -1.323 1
1 951 . 5 1 1 A 76 76 LEU CB C 76 40.188 43.487 -3.299 1
1 955 . 5 1 1 A 76 76 LEU N N 76 127.705 126.790 0.915 1
1 956 . 5 1 1 A 77 77 GLU H H 77 9.006 8.941 0.065 1
1 957 . 5 1 1 A 77 77 GLU HA H 77 4.295 4.876 -0.581 1
1 962 . 5 1 1 A 77 77 GLU C C 77 172.035 175.117 -3.082 1
1 963 . 5 1 1 A 77 77 GLU CA C 77 51.734 54.343 -2.609 1
1 964 . 5 1 1 A 77 77 GLU CB C 77 30.671 33.531 -2.860 1
1 966 . 5 1 1 A 77 77 GLU N N 77 120.330 119.856 0.474 1
1 967 . 5 1 1 A 78 78 ASP H H 78 8.375 8.587 -0.212 1
1 968 . 5 1 1 A 78 78 ASP HA H 78 4.289 4.412 -0.123 1
1 971 . 5 1 1 A 78 78 ASP C C 78 174.522 176.981 -2.459 1
1 972 . 5 1 1 A 78 78 ASP CA C 78 54.779 54.734 0.045 1
1 973 . 5 1 1 A 78 78 ASP CB C 78 39.200 41.181 -1.981 1
1 974 . 5 1 1 A 78 78 ASP N N 78 116.751 122.461 -5.710 1
1 975 . 5 1 1 A 79 79 GLU H H 79 9.867 8.829 1.038 1
1 976 . 5 1 1 A 79 79 GLU HA H 79 3.685 3.926 -0.241 1
1 981 . 5 1 1 A 79 79 GLU C C 79 172.755 174.729 -1.974 1
1 982 . 5 1 1 A 79 79 GLU CA C 79 57.384 57.300 0.084 1
1 983 . 5 1 1 A 79 79 GLU CB C 79 24.429 27.724 -3.295 1
1 985 . 5 1 1 A 79 79 GLU N N 79 119.409 119.906 -0.497 1
1 986 . 5 1 1 A 80 80 ASP H H 80 8.212 7.139 1.073 1
1 987 . 5 1 1 A 80 80 ASP HA H 80 4.833 5.312 -0.479 1
1 990 . 5 1 1 A 80 80 ASP C C 80 171.935 174.772 -2.837 1
1 991 . 5 1 1 A 80 80 ASP CA C 80 53.900 53.173 0.727 1
1 992 . 5 1 1 A 80 80 ASP CB C 80 39.633 44.370 -4.737 1
1 993 . 5 1 1 A 80 80 ASP N N 80 121.227 117.345 3.882 1
1 994 . 5 1 1 A 81 81 VAL H H 81 8.638 9.042 -0.404 1
1 995 . 5 1 1 A 81 81 VAL HA H 81 5.055 5.431 -0.376 1
1 1003 . 5 1 1 A 81 81 VAL C C 81 172.826 175.099 -2.273 1
1 1004 . 5 1 1 A 81 81 VAL CA C 81 57.723 62.024 -4.301 1
1 1005 . 5 1 1 A 81 81 VAL CB C 81 31.767 33.308 -1.541 1
1 1008 . 5 1 1 A 81 81 VAL N N 81 118.946 123.448 -4.502 1
1 1009 . 5 1 1 A 82 82 ILE H H 82 9.007 9.295 -0.288 1
1 1010 . 5 1 1 A 82 82 ILE HA H 82 5.789 5.159 0.630 1
1 1020 . 5 1 1 A 82 82 ILE C C 82 170.143 173.419 -3.276 1
1 1021 . 5 1 1 A 82 82 ILE CA C 82 55.824 59.257 -3.433 1
1 1022 . 5 1 1 A 82 82 ILE CB C 82 41.574 42.367 -0.793 1
1 1026 . 5 1 1 A 82 82 ILE N N 82 124.391 129.011 -4.620 1
1 1027 . 5 1 1 A 83 83 GLN H H 83 9.415 8.935 0.480 1
1 1028 . 5 1 1 A 83 83 GLN HA H 83 4.815 4.928 -0.113 1
1 1035 . 5 1 1 A 83 83 GLN C C 83 172.719 174.510 -1.791 1
1 1036 . 5 1 1 A 83 83 GLN CA C 83 52.016 54.724 -2.708 1
1 1037 . 5 1 1 A 83 83 GLN CB C 83 32.094 30.367 1.727 1
1 1039 . 5 1 1 A 83 83 GLN N N 83 127.774 128.265 -0.491 1
1 1041 . 5 1 1 A 84 84 ILE H H 84 8.878 8.583 0.295 1
1 1042 . 5 1 1 A 84 84 ILE HA H 84 4.074 4.398 -0.324 1
1 1052 . 5 1 1 A 84 84 ILE C C 84 173.096 175.712 -2.616 1
1 1053 . 5 1 1 A 84 84 ILE CA C 84 57.372 61.733 -4.361 1
1 1054 . 5 1 1 A 84 84 ILE CB C 84 34.771 37.342 -2.571 1
1 1058 . 5 1 1 A 84 84 ILE N N 84 126.673 126.536 0.137 1
1 1059 . 5 1 1 A 85 85 VAL H H 85 8.562 8.389 0.173 1
1 1060 . 5 1 1 A 85 85 VAL HA H 85 3.914 4.910 -0.996 1
1 1068 . 5 1 1 A 85 85 VAL C C 85 172.438 174.465 -2.027 1
1 1069 . 5 1 1 A 85 85 VAL CA C 85 60.112 59.526 0.586 1
1 1070 . 5 1 1 A 85 85 VAL CB C 85 28.964 33.698 -4.734 1
1 1073 . 5 1 1 A 85 85 VAL N N 85 130.400 122.899 7.501 1
1 1074 . 5 1 1 A 86 86 LYS H H 86 8.399 8.636 -0.237 1
1 1075 . 5 1 1 A 86 86 LYS HA H 86 4.640 5.021 -0.381 1
1 1084 . 5 1 1 A 86 86 LYS C C 86 174.388 176.515 -2.127 1
1 1085 . 5 1 1 A 86 86 LYS CA C 86 53.301 53.949 -0.648 1
1 1086 . 5 1 1 A 86 86 LYS CB C 86 32.587 34.683 -2.096 1
1 1090 . 5 1 1 A 86 86 LYS N N 86 126.582 123.779 2.803 1
1 1091 . 5 1 1 A 87 87 LYS H H 87 8.485 8.502 -0.017 1
1 1092 . 5 1 1 A 87 87 LYS HA H 87 3.923 4.121 -0.198 1
1 1101 . 5 1 1 A 87 87 LYS C C 87 174.196 176.429 -2.233 1
1 1102 . 5 1 1 A 87 87 LYS CA C 87 55.171 57.405 -2.234 1
1 1103 . 5 1 1 A 87 87 LYS CB C 87 31.274 32.779 -1.505 1
1 1107 . 5 1 1 A 87 87 LYS N N 87 119.203 123.258 -4.055 1
1 1108 . 5 1 1 A 89 89 GLY HA2 H 89 4.034 4.392 -0.358 1
1 1109 . 5 1 1 A 89 89 GLY HA3 H 89 4.034 4.393 -0.359 1
1 1110 . 5 1 1 A 89 89 GLY CA C 89 42.366 44.575 -2.209 1
1 1111 . 5 1 1 A 90 90 PRO HA H 90 4.369 4.718 -0.349 1
1 1118 . 5 1 1 A 90 90 PRO CA C 90 61.070 62.659 -1.589 1
1 1119 . 5 1 1 A 90 90 PRO CB C 90 29.818 31.610 -1.792 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.759 3.926 -0.167 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.759 4.074 -0.315 1
1 3 . 6 1 1 A 7 7 GLY C C 7 171.455 173.717 -2.262 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 42.980 45.187 -2.207 1
1 5 . 6 1 1 A 8 8 TYR H H 8 7.813 8.048 -0.235 1
1 6 . 6 1 1 A 8 8 TYR HA H 8 4.391 4.574 -0.183 1
1 13 . 6 1 1 A 8 8 TYR C C 8 173.043 175.274 -2.231 1
1 14 . 6 1 1 A 8 8 TYR CA C 8 55.501 57.649 -2.148 1
1 15 . 6 1 1 A 8 8 TYR CB C 8 36.317 39.322 -3.005 1
1 20 . 6 1 1 A 8 8 TYR N N 8 119.411 125.169 -5.758 1
1 21 . 6 1 1 A 9 9 LEU H H 9 7.861 7.171 0.690 1
1 22 . 6 1 1 A 9 9 LEU HA H 9 4.118 4.606 -0.488 1
1 32 . 6 1 1 A 9 9 LEU C C 9 173.714 176.389 -2.675 1
1 33 . 6 1 1 A 9 9 LEU CA C 9 52.544 53.977 -1.433 1
1 34 . 6 1 1 A 9 9 LEU CB C 9 40.106 40.193 -0.087 1
1 38 . 6 1 1 A 9 9 LEU N N 9 123.594 123.306 0.288 1
1 39 . 6 1 1 A 10 10 LYS H H 10 7.976 8.661 -0.685 1
1 40 . 6 1 1 A 10 10 LYS HA H 10 4.108 4.198 -0.090 1
1 49 . 6 1 1 A 10 10 LYS C C 10 172.845 176.087 -3.242 1
1 50 . 6 1 1 A 10 10 LYS CA C 10 54.150 56.945 -2.795 1
1 51 . 6 1 1 A 10 10 LYS CB C 10 30.736 33.082 -2.346 1
1 55 . 6 1 1 A 10 10 LYS N N 10 122.047 125.573 -3.526 1
1 56 . 6 1 1 A 11 11 LEU H H 11 8.102 8.446 -0.344 1
1 57 . 6 1 1 A 11 11 LEU HA H 11 4.711 5.123 -0.412 1
1 67 . 6 1 1 A 11 11 LEU C C 11 173.849 175.714 -1.865 1
1 68 . 6 1 1 A 11 11 LEU CA C 11 51.523 53.398 -1.875 1
1 69 . 6 1 1 A 11 11 LEU CB C 11 41.767 42.834 -1.067 1
1 73 . 6 1 1 A 11 11 LEU N N 11 123.872 125.742 -1.870 1
1 74 . 6 1 1 A 12 12 VAL H H 12 8.956 9.192 -0.236 1
1 75 . 6 1 1 A 12 12 VAL HA H 12 4.044 4.675 -0.631 1
1 83 . 6 1 1 A 12 12 VAL C C 12 171.356 175.387 -4.031 1
1 84 . 6 1 1 A 12 12 VAL CA C 12 59.549 61.272 -1.723 1
1 85 . 6 1 1 A 12 12 VAL CB C 12 31.500 33.481 -1.981 1
1 88 . 6 1 1 A 12 12 VAL N N 12 122.036 125.045 -3.009 1
1 89 . 6 1 1 A 13 13 ARG H H 13 9.211 8.846 0.365 1
1 90 . 6 1 1 A 13 13 ARG HA H 13 4.434 4.935 -0.501 1
1 98 . 6 1 1 A 13 13 ARG C C 13 171.964 175.289 -3.325 1
1 99 . 6 1 1 A 13 13 ARG CA C 13 52.791 55.809 -3.018 1
1 100 . 6 1 1 A 13 13 ARG CB C 13 29.067 31.828 -2.761 1
1 103 . 6 1 1 A 13 13 ARG N N 13 125.178 126.853 -1.675 1
1 105 . 6 1 1 A 14 14 ILE H H 14 8.811 8.277 0.534 1
1 106 . 6 1 1 A 14 14 ILE HA H 14 4.592 4.649 -0.057 1
1 116 . 6 1 1 A 14 14 ILE C C 14 173.197 174.308 -1.111 1
1 117 . 6 1 1 A 14 14 ILE CA C 14 55.308 60.140 -4.832 1
1 118 . 6 1 1 A 14 14 ILE CB C 14 36.411 41.131 -4.720 1
1 122 . 6 1 1 A 14 14 ILE N N 14 122.061 121.089 0.972 1
1 123 . 6 1 1 A 15 15 TYR H H 15 8.781 8.669 0.112 1
1 124 . 6 1 1 A 15 15 TYR HA H 15 5.103 5.032 0.071 1
1 131 . 6 1 1 A 15 15 TYR C C 15 172.764 175.531 -2.767 1
1 132 . 6 1 1 A 15 15 TYR CA C 15 53.740 57.259 -3.519 1
1 133 . 6 1 1 A 15 15 TYR CB C 15 37.340 38.048 -0.708 1
1 138 . 6 1 1 A 15 15 TYR N N 15 125.241 127.030 -1.789 1
1 139 . 6 1 1 A 16 16 THR H H 16 8.961 8.954 0.007 1
1 140 . 6 1 1 A 16 16 THR HA H 16 4.806 4.661 0.145 1
1 145 . 6 1 1 A 16 16 THR C C 16 171.478 173.378 -1.900 1
1 146 . 6 1 1 A 16 16 THR CA C 16 59.180 63.117 -3.937 1
1 147 . 6 1 1 A 16 16 THR CB C 16 68.174 69.834 -1.660 1
1 149 . 6 1 1 A 16 16 THR N N 16 116.007 121.111 -5.104 1
1 150 . 6 1 1 A 17 17 LYS H H 17 8.397 8.539 -0.142 1
1 151 . 6 1 1 A 17 17 LYS HA H 17 4.446 4.891 -0.445 1
1 160 . 6 1 1 A 17 17 LYS C C 17 170.870 175.252 -4.382 1
1 161 . 6 1 1 A 17 17 LYS CA C 17 50.238 52.527 -2.289 1
1 162 . 6 1 1 A 17 17 LYS CB C 17 32.677 34.152 -1.475 1
1 166 . 6 1 1 A 17 17 LYS N N 17 125.122 128.454 -3.332 1
1 167 . 6 1 1 A 18 18 PRO HA H 18 4.474 4.670 -0.196 1
1 174 . 6 1 1 A 18 18 PRO C C 18 174.170 175.437 -1.267 1
1 175 . 6 1 1 A 18 18 PRO CA C 18 59.250 62.183 -2.933 1
1 176 . 6 1 1 A 18 18 PRO CB C 18 29.517 33.014 -3.497 1
1 179 . 6 1 1 A 19 19 LYS H H 19 8.467 8.321 0.146 1
1 180 . 6 1 1 A 19 19 LYS HA H 19 3.887 4.499 -0.612 1
1 187 . 6 1 1 A 19 19 LYS C C 19 175.944 177.305 -1.361 1
1 188 . 6 1 1 A 19 19 LYS CA C 19 55.732 56.344 -0.612 1
1 189 . 6 1 1 A 19 19 LYS CB C 19 29.818 31.535 -1.717 1
1 193 . 6 1 1 A 19 19 LYS N N 19 121.921 121.235 0.686 1
1 194 . 6 1 1 A 20 20 GLY HA2 H 20 3.958 4.014 -0.056 1
1 195 . 6 1 1 A 20 20 GLY HA3 H 20 3.676 4.014 -0.338 1
1 196 . 6 1 1 A 20 20 GLY C C 20 171.329 174.933 -3.604 1
1 197 . 6 1 1 A 20 20 GLY CA C 20 43.304 45.091 -1.787 1
1 198 . 6 1 1 A 21 21 GLN H H 21 7.553 7.925 -0.372 1
1 199 . 6 1 1 A 21 21 GLN HA H 21 4.581 4.447 0.134 1
1 206 . 6 1 1 A 21 21 GLN C C 21 172.091 175.861 -3.770 1
1 207 . 6 1 1 A 21 21 GLN CA C 21 51.330 55.882 -4.552 1
1 208 . 6 1 1 A 21 21 GLN CB C 21 29.767 30.363 -0.596 1
1 210 . 6 1 1 A 21 21 GLN N N 21 117.269 120.541 -3.272 1
1 212 . 6 1 1 A 22 22 LEU H H 22 8.048 8.403 -0.355 1
1 213 . 6 1 1 A 22 22 LEU HA H 22 4.292 4.703 -0.411 1
1 223 . 6 1 1 A 22 22 LEU C C 22 171.986 175.293 -3.307 1
1 224 . 6 1 1 A 22 22 LEU CA C 22 50.950 52.844 -1.894 1
1 225 . 6 1 1 A 22 22 LEU CB C 22 38.362 41.956 -3.594 1
1 229 . 6 1 1 A 22 22 LEU N N 22 119.689 120.444 -0.755 1
1 230 . 6 1 1 A 23 23 PRO HA H 23 4.196 4.682 -0.486 1
1 237 . 6 1 1 A 23 23 PRO C C 23 172.331 176.287 -3.956 1
1 238 . 6 1 1 A 23 23 PRO CA C 23 59.882 62.414 -2.532 1
1 239 . 6 1 1 A 23 23 PRO CB C 23 28.948 31.294 -2.346 1
1 242 . 6 1 1 A 24 24 ASP H H 24 8.191 8.373 -0.182 1
1 243 . 6 1 1 A 24 24 ASP HA H 24 4.649 4.476 0.173 1
1 246 . 6 1 1 A 24 24 ASP C C 24 175.312 175.952 -0.640 1
1 247 . 6 1 1 A 24 24 ASP CA C 24 49.710 54.456 -4.746 1
1 248 . 6 1 1 A 24 24 ASP CB C 24 37.229 40.428 -3.199 1
1 249 . 6 1 1 A 24 24 ASP N N 24 118.307 121.932 -3.625 1
1 250 . 6 1 1 A 25 25 TYR H H 25 8.171 8.590 -0.419 1
1 251 . 6 1 1 A 25 25 TYR HA H 25 4.173 4.594 -0.421 1
1 258 . 6 1 1 A 25 25 TYR C C 25 173.720 175.913 -2.193 1
1 259 . 6 1 1 A 25 25 TYR CA C 25 57.297 58.769 -1.472 1
1 260 . 6 1 1 A 25 25 TYR CB C 25 34.897 38.533 -3.636 1
1 265 . 6 1 1 A 25 25 TYR N N 25 123.576 123.394 0.182 1
1 266 . 6 1 1 A 26 26 THR H H 26 8.278 8.183 0.095 1
1 267 . 6 1 1 A 26 26 THR HA H 26 4.343 4.629 -0.286 1
1 272 . 6 1 1 A 26 26 THR C C 26 173.145 175.150 -2.005 1
1 273 . 6 1 1 A 26 26 THR CA C 26 60.799 62.752 -1.953 1
1 274 . 6 1 1 A 26 26 THR CB C 26 67.379 70.485 -3.106 1
1 276 . 6 1 1 A 26 26 THR N N 26 109.145 114.615 -5.470 1
1 277 . 6 1 1 A 27 27 SER H H 27 7.085 8.020 -0.935 1
1 278 . 6 1 1 A 27 27 SER HA H 27 5.002 4.941 0.061 1
1 281 . 6 1 1 A 27 27 SER C C 27 169.729 171.613 -1.884 1
1 282 . 6 1 1 A 27 27 SER CA C 27 52.526 55.920 -3.394 1
1 283 . 6 1 1 A 27 27 SER CB C 27 61.215 63.975 -2.760 1
1 284 . 6 1 1 A 27 27 SER N N 27 114.134 115.525 -1.391 1
1 285 . 6 1 1 A 28 28 PRO HA H 28 4.553 4.664 -0.111 1
1 292 . 6 1 1 A 28 28 PRO C C 28 174.448 175.385 -0.937 1
1 293 . 6 1 1 A 28 28 PRO CA C 28 60.482 62.571 -2.089 1
1 294 . 6 1 1 A 28 28 PRO CB C 28 29.224 32.772 -3.548 1
1 297 . 6 1 1 A 29 29 VAL H H 29 9.191 8.109 1.082 1
1 298 . 6 1 1 A 29 29 VAL HA H 29 3.946 4.555 -0.609 1
1 306 . 6 1 1 A 29 29 VAL C C 29 172.641 174.303 -1.662 1
1 307 . 6 1 1 A 29 29 VAL CA C 29 60.367 60.357 0.010 1
1 308 . 6 1 1 A 29 29 VAL CB C 29 30.546 34.197 -3.651 1
1 311 . 6 1 1 A 29 29 VAL N N 29 123.735 120.647 3.088 1
1 312 . 6 1 1 A 30 30 VAL H H 30 8.169 8.966 -0.797 1
1 313 . 6 1 1 A 30 30 VAL HA H 30 4.940 4.417 0.523 1
1 321 . 6 1 1 A 30 30 VAL C C 30 173.560 175.316 -1.756 1
1 322 . 6 1 1 A 30 30 VAL CA C 30 58.568 62.271 -3.703 1
1 323 . 6 1 1 A 30 30 VAL CB C 30 30.303 31.065 -0.762 1
1 326 . 6 1 1 A 30 30 VAL N N 30 125.255 130.047 -4.792 1
1 327 . 6 1 1 A 31 31 LEU H H 31 8.889 8.904 -0.015 1
1 328 . 6 1 1 A 31 31 LEU HA H 31 4.816 4.774 0.042 1
1 338 . 6 1 1 A 31 31 LEU C C 31 171.113 174.805 -3.692 1
1 339 . 6 1 1 A 31 31 LEU CA C 31 48.760 51.969 -3.209 1
1 340 . 6 1 1 A 31 31 LEU CB C 31 40.938 42.601 -1.663 1
1 344 . 6 1 1 A 31 31 LEU N N 31 127.017 128.586 -1.569 1
1 345 . 6 1 1 A 32 32 PRO HA H 32 4.531 4.736 -0.205 1
1 352 . 6 1 1 A 32 32 PRO C C 32 174.294 177.581 -3.287 1
1 353 . 6 1 1 A 32 32 PRO CA C 32 59.648 62.820 -3.172 1
1 354 . 6 1 1 A 32 32 PRO CB C 32 29.349 31.726 -2.377 1
1 357 . 6 1 1 A 33 33 TYR H H 33 8.105 8.753 -0.648 1
1 358 . 6 1 1 A 33 33 TYR HA H 33 3.788 4.011 -0.223 1
1 365 . 6 1 1 A 33 33 TYR C C 33 173.470 176.837 -3.367 1
1 366 . 6 1 1 A 33 33 TYR CA C 33 58.159 62.352 -4.193 1
1 367 . 6 1 1 A 33 33 TYR CB C 33 36.244 39.008 -2.764 1
1 372 . 6 1 1 A 33 33 TYR N N 33 120.060 126.349 -6.289 1
1 373 . 6 1 1 A 34 34 SER H H 34 7.868 8.631 -0.763 1
1 374 . 6 1 1 A 34 34 SER HA H 34 3.814 4.382 -0.568 1
1 377 . 6 1 1 A 34 34 SER C C 34 171.946 174.703 -2.757 1
1 378 . 6 1 1 A 34 34 SER CA C 34 58.212 62.467 -4.255 1
1 379 . 6 1 1 A 34 34 SER CB C 34 60.928 63.312 -2.384 1
1 380 . 6 1 1 A 34 34 SER N N 34 116.733 115.002 1.731 1
1 381 . 6 1 1 A 35 35 ARG H H 35 7.883 7.944 -0.061 1
1 382 . 6 1 1 A 35 35 ARG HA H 35 4.575 4.690 -0.115 1
1 389 . 6 1 1 A 35 35 ARG C C 35 172.091 174.784 -2.693 1
1 390 . 6 1 1 A 35 35 ARG CA C 35 52.067 54.858 -2.791 1
1 391 . 6 1 1 A 35 35 ARG CB C 35 28.228 31.348 -3.120 1
1 394 . 6 1 1 A 35 35 ARG N N 35 125.492 120.748 4.744 1
1 395 . 6 1 1 A 36 36 THR H H 36 7.874 8.639 -0.765 1
1 396 . 6 1 1 A 36 36 THR HA H 36 4.613 5.216 -0.603 1
1 401 . 6 1 1 A 36 36 THR C C 36 173.095 173.309 -0.214 1
1 402 . 6 1 1 A 36 36 THR CA C 36 57.029 60.540 -3.511 1
1 403 . 6 1 1 A 36 36 THR CB C 36 66.113 70.933 -4.820 1
1 405 . 6 1 1 A 36 36 THR N N 36 107.510 114.611 -7.101 1
1 406 . 6 1 1 A 37 37 THR H H 37 8.804 8.474 0.330 1
1 407 . 6 1 1 A 37 37 THR HA H 37 5.288 4.676 0.612 1
1 412 . 6 1 1 A 37 37 THR C C 37 174.234 174.503 -0.269 1
1 413 . 6 1 1 A 37 37 THR CA C 37 59.681 60.496 -0.815 1
1 414 . 6 1 1 A 37 37 THR CB C 37 70.032 70.744 -0.712 1
1 416 . 6 1 1 A 37 37 THR N N 37 112.714 116.626 -3.912 1
1 417 . 6 1 1 A 38 38 VAL H H 38 8.269 8.766 -0.497 1
1 418 . 6 1 1 A 38 38 VAL HA H 38 3.485 3.590 -0.105 1
1 426 . 6 1 1 A 38 38 VAL C C 38 175.909 177.512 -1.603 1
1 427 . 6 1 1 A 38 38 VAL CA C 38 64.496 66.787 -2.291 1
1 428 . 6 1 1 A 38 38 VAL CB C 38 29.015 31.375 -2.360 1
1 431 . 6 1 1 A 38 38 VAL N N 38 121.372 122.527 -1.155 1
1 432 . 6 1 1 A 39 39 GLU H H 39 8.597 8.801 -0.204 1
1 433 . 6 1 1 A 39 39 GLU HA H 39 3.495 3.988 -0.493 1
1 438 . 6 1 1 A 39 39 GLU C C 39 174.769 177.913 -3.144 1
1 439 . 6 1 1 A 39 39 GLU CA C 39 58.418 58.400 0.018 1
1 440 . 6 1 1 A 39 39 GLU CB C 39 27.358 27.728 -0.370 1
1 442 . 6 1 1 A 39 39 GLU N N 39 121.954 119.179 2.775 1
1 443 . 6 1 1 A 40 40 ASP H H 40 7.493 8.203 -0.710 1
1 444 . 6 1 1 A 40 40 ASP HA H 40 4.071 4.491 -0.420 1
1 447 . 6 1 1 A 40 40 ASP C C 40 176.738 178.464 -1.726 1
1 448 . 6 1 1 A 40 40 ASP CA C 40 55.877 56.876 -0.999 1
1 449 . 6 1 1 A 40 40 ASP CB C 40 38.721 40.970 -2.249 1
1 450 . 6 1 1 A 40 40 ASP N N 40 119.054 120.118 -1.064 1
1 451 . 6 1 1 A 41 41 PHE H H 41 8.429 8.223 0.206 1
1 452 . 6 1 1 A 41 41 PHE HA H 41 3.750 4.066 -0.316 1
1 460 . 6 1 1 A 41 41 PHE C C 41 173.786 177.492 -3.706 1
1 461 . 6 1 1 A 41 41 PHE CA C 41 59.851 60.970 -1.119 1
1 462 . 6 1 1 A 41 41 PHE CB C 41 36.135 38.923 -2.788 1
1 468 . 6 1 1 A 41 41 PHE N N 41 121.017 122.251 -1.234 1
1 469 . 6 1 1 A 42 42 CYS H H 42 8.527 8.250 0.277 1
1 470 . 6 1 1 A 42 42 CYS HA H 42 3.752 4.220 -0.468 1
1 473 . 6 1 1 A 42 42 CYS C C 42 174.065 177.115 -3.050 1
1 474 . 6 1 1 A 42 42 CYS CA C 42 62.453 62.142 0.311 1
1 475 . 6 1 1 A 42 42 CYS CB C 42 24.429 27.216 -2.787 1
1 476 . 6 1 1 A 42 42 CYS N N 42 116.390 117.763 -1.373 1
1 477 . 6 1 1 A 43 43 MET H H 43 7.739 8.296 -0.557 1
1 478 . 6 1 1 A 43 43 MET HA H 43 3.885 4.108 -0.223 1
1 486 . 6 1 1 A 43 43 MET C C 43 175.345 178.727 -3.382 1
1 487 . 6 1 1 A 43 43 MET CA C 43 54.460 58.377 -3.917 1
1 488 . 6 1 1 A 43 43 MET CB C 43 28.872 32.645 -3.773 1
1 491 . 6 1 1 A 43 43 MET N N 43 114.377 119.306 -4.929 1
1 492 . 6 1 1 A 44 44 LYS H H 44 7.257 7.831 -0.574 1
1 493 . 6 1 1 A 44 44 LYS HA H 44 3.896 3.903 -0.007 1
1 502 . 6 1 1 A 44 44 LYS C C 44 175.198 178.803 -3.605 1
1 503 . 6 1 1 A 44 44 LYS CA C 44 54.181 59.149 -4.968 1
1 504 . 6 1 1 A 44 44 LYS CB C 44 29.291 32.429 -3.138 1
1 508 . 6 1 1 A 44 44 LYS N N 44 117.480 118.399 -0.919 1
1 509 . 6 1 1 A 45 45 ILE H H 45 7.146 6.841 0.305 1
1 510 . 6 1 1 A 45 45 ILE HA H 45 3.697 3.919 -0.222 1
1 520 . 6 1 1 A 45 45 ILE C C 45 174.894 176.113 -1.219 1
1 521 . 6 1 1 A 45 45 ILE CA C 45 59.954 63.652 -3.698 1
1 522 . 6 1 1 A 45 45 ILE CB C 45 33.943 38.525 -4.582 1
1 526 . 6 1 1 A 45 45 ILE N N 45 119.267 117.269 1.998 1
1 527 . 6 1 1 A 46 46 HIS H H 46 7.982 8.114 -0.132 1
1 528 . 6 1 1 A 46 46 HIS HA H 46 4.200 4.778 -0.578 1
1 533 . 6 1 1 A 46 46 HIS C C 46 173.349 174.972 -1.623 1
1 534 . 6 1 1 A 46 46 HIS CA C 46 56.363 55.822 0.541 1
1 535 . 6 1 1 A 46 46 HIS CB C 46 30.998 32.825 -1.827 1
1 538 . 6 1 1 A 46 46 HIS N N 46 116.498 116.855 -0.357 1
1 539 . 6 1 1 A 47 47 LYS H H 47 8.478 9.042 -0.564 1
1 540 . 6 1 1 A 47 47 LYS HA H 47 4.091 3.909 0.182 1
1 545 . 6 1 1 A 47 47 LYS C C 47 174.519 178.516 -3.997 1
1 546 . 6 1 1 A 47 47 LYS CA C 47 57.279 60.283 -3.004 1
1 547 . 6 1 1 A 47 47 LYS CB C 47 29.709 32.431 -2.722 1
1 551 . 6 1 1 A 47 47 LYS N N 47 127.686 125.733 1.953 1
1 552 . 6 1 1 A 48 48 ASN H H 48 10.623 8.520 2.103 1
1 553 . 6 1 1 A 48 48 ASN HA H 48 4.839 4.533 0.306 1
1 558 . 6 1 1 A 48 48 ASN C C 48 175.138 177.794 -2.656 1
1 559 . 6 1 1 A 48 48 ASN CA C 48 50.960 56.166 -5.206 1
1 560 . 6 1 1 A 48 48 ASN CB C 48 36.975 38.346 -1.371 1
1 561 . 6 1 1 A 48 48 ASN N N 48 118.711 118.765 -0.054 1
1 563 . 6 1 1 A 49 49 LEU H H 49 7.796 8.286 -0.490 1
1 564 . 6 1 1 A 49 49 LEU HA H 49 4.103 3.980 0.123 1
1 574 . 6 1 1 A 49 49 LEU C C 49 176.976 178.595 -1.619 1
1 575 . 6 1 1 A 49 49 LEU CA C 49 56.381 58.884 -2.503 1
1 576 . 6 1 1 A 49 49 LEU CB C 49 39.064 41.858 -2.794 1
1 580 . 6 1 1 A 49 49 LEU N N 49 124.676 121.346 3.330 1
1 581 . 6 1 1 A 50 50 ILE H H 50 9.052 7.833 1.219 1
1 582 . 6 1 1 A 50 50 ILE HA H 50 4.060 3.848 0.212 1
1 592 . 6 1 1 A 50 50 ILE C C 50 173.983 177.839 -3.856 1
1 593 . 6 1 1 A 50 50 ILE CA C 50 57.842 63.861 -6.019 1
1 594 . 6 1 1 A 50 50 ILE CB C 50 35.943 37.828 -1.885 1
1 598 . 6 1 1 A 50 50 ILE N N 50 116.565 118.918 -2.353 1
1 599 . 6 1 1 A 51 51 LYS H H 51 7.275 8.426 -1.151 1
1 600 . 6 1 1 A 51 51 LYS HA H 51 4.143 4.044 0.099 1
1 609 . 6 1 1 A 51 51 LYS C C 51 175.668 178.330 -2.662 1
1 610 . 6 1 1 A 51 51 LYS CA C 51 55.696 59.980 -4.284 1
1 611 . 6 1 1 A 51 51 LYS CB C 51 29.767 32.169 -2.402 1
1 615 . 6 1 1 A 51 51 LYS N N 51 119.864 122.496 -2.632 1
1 616 . 6 1 1 A 52 52 GLU H H 52 7.590 7.820 -0.230 1
1 617 . 6 1 1 A 52 52 GLU HA H 52 4.319 4.407 -0.088 1
1 622 . 6 1 1 A 52 52 GLU C C 52 173.088 176.603 -3.515 1
1 623 . 6 1 1 A 52 52 GLU CA C 52 53.301 56.649 -3.348 1
1 624 . 6 1 1 A 52 52 GLU CB C 52 28.778 30.432 -1.654 1
1 626 . 6 1 1 A 52 52 GLU N N 52 116.453 116.569 -0.116 1
1 627 . 6 1 1 A 53 53 PHE H H 53 7.423 8.154 -0.731 1
1 628 . 6 1 1 A 53 53 PHE HA H 53 3.608 4.601 -0.993 1
1 636 . 6 1 1 A 53 53 PHE C C 53 170.946 175.410 -4.464 1
1 637 . 6 1 1 A 53 53 PHE CA C 53 57.983 58.201 -0.218 1
1 638 . 6 1 1 A 53 53 PHE CB C 53 38.913 39.327 -0.414 1
1 644 . 6 1 1 A 53 53 PHE N N 53 120.950 122.934 -1.984 1
1 645 . 6 1 1 A 54 54 LYS H H 54 8.385 8.560 -0.175 1
1 646 . 6 1 1 A 54 54 LYS HA H 54 4.268 4.106 0.162 1
1 655 . 6 1 1 A 54 54 LYS C C 54 173.038 175.267 -2.229 1
1 656 . 6 1 1 A 54 54 LYS CA C 54 55.263 57.303 -2.040 1
1 657 . 6 1 1 A 54 54 LYS CB C 54 32.730 33.540 -0.810 1
1 661 . 6 1 1 A 54 54 LYS N N 54 128.686 127.471 1.215 1
1 662 . 6 1 1 A 55 55 TYR H H 55 7.083 6.942 0.141 1
1 663 . 6 1 1 A 55 55 TYR HA H 55 4.120 4.544 -0.424 1
1 670 . 6 1 1 A 55 55 TYR C C 55 168.503 173.164 -4.661 1
1 671 . 6 1 1 A 55 55 TYR CA C 55 55.198 56.150 -0.952 1
1 672 . 6 1 1 A 55 55 TYR CB C 55 35.633 39.885 -4.252 1
1 677 . 6 1 1 A 55 55 TYR N N 55 110.963 112.967 -2.004 1
1 678 . 6 1 1 A 56 56 ALA H H 56 8.836 8.757 0.079 1
1 679 . 6 1 1 A 56 56 ALA HA H 56 5.293 5.383 -0.090 1
1 683 . 6 1 1 A 56 56 ALA C C 56 172.993 176.028 -3.035 1
1 684 . 6 1 1 A 56 56 ALA CA C 56 47.088 50.717 -3.629 1
1 685 . 6 1 1 A 56 56 ALA CB C 56 20.287 23.045 -2.758 1
1 686 . 6 1 1 A 56 56 ALA N N 56 118.379 122.084 -3.705 1
1 687 . 6 1 1 A 57 57 LEU H H 57 8.880 8.849 0.031 1
1 688 . 6 1 1 A 57 57 LEU HA H 57 4.854 4.849 0.005 1
1 698 . 6 1 1 A 57 57 LEU C C 57 172.904 175.436 -2.532 1
1 699 . 6 1 1 A 57 57 LEU CA C 57 50.872 53.525 -2.653 1
1 700 . 6 1 1 A 57 57 LEU CB C 57 42.160 41.721 0.439 1
1 704 . 6 1 1 A 57 57 LEU N N 57 121.382 122.038 -0.656 1
1 705 . 6 1 1 A 58 58 VAL H H 58 8.123 8.397 -0.274 1
1 706 . 6 1 1 A 58 58 VAL HA H 58 5.243 4.364 0.879 1
1 714 . 6 1 1 A 58 58 VAL C C 58 171.929 175.298 -3.369 1
1 715 . 6 1 1 A 58 58 VAL CA C 58 57.683 62.484 -4.801 1
1 716 . 6 1 1 A 58 58 VAL CB C 58 33.036 32.127 0.909 1
1 719 . 6 1 1 A 58 58 VAL N N 58 120.400 124.646 -4.246 1
1 720 . 6 1 1 A 59 59 TRP H H 59 9.316 8.649 0.667 1
1 721 . 6 1 1 A 59 59 TRP HA H 59 4.843 5.192 -0.349 1
1 730 . 6 1 1 A 59 59 TRP C C 59 173.582 176.536 -2.954 1
1 731 . 6 1 1 A 59 59 TRP CA C 59 54.736 55.226 -0.490 1
1 732 . 6 1 1 A 59 59 TRP CB C 59 30.514 30.713 -0.199 1
1 738 . 6 1 1 A 59 59 TRP N N 59 127.196 127.164 0.032 1
1 740 . 6 1 1 A 60 60 GLY H H 60 8.531 8.381 0.150 1
1 741 . 6 1 1 A 60 60 GLY HA2 H 60 4.934 4.318 0.616 1
1 742 . 6 1 1 A 60 60 GLY HA3 H 60 4.123 4.323 -0.200 1
1 743 . 6 1 1 A 60 60 GLY C C 60 171.378 174.221 -2.843 1
1 744 . 6 1 1 A 60 60 GLY CA C 60 42.587 45.647 -3.060 1
1 745 . 6 1 1 A 60 60 GLY N N 60 110.481 110.788 -0.307 1
1 746 . 6 1 1 A 61 61 LEU H H 61 8.188 8.775 -0.587 1
1 747 . 6 1 1 A 61 61 LEU HA H 61 4.141 4.036 0.105 1
1 757 . 6 1 1 A 61 61 LEU C C 61 176.897 178.854 -1.957 1
1 758 . 6 1 1 A 61 61 LEU CA C 61 54.357 57.306 -2.949 1
1 759 . 6 1 1 A 61 61 LEU CB C 61 39.942 41.497 -1.555 1
1 763 . 6 1 1 A 61 61 LEU N N 61 118.667 121.705 -3.038 1
1 764 . 6 1 1 A 62 62 SER H H 62 8.123 8.116 0.007 1
1 765 . 6 1 1 A 62 62 SER HA H 62 4.284 4.243 0.041 1
1 768 . 6 1 1 A 62 62 SER C C 62 171.932 173.790 -1.858 1
1 769 . 6 1 1 A 62 62 SER CA C 62 57.279 61.129 -3.850 1
1 770 . 6 1 1 A 62 62 SER CB C 62 60.354 63.374 -3.020 1
1 771 . 6 1 1 A 62 62 SER N N 62 110.946 113.708 -2.762 1
1 772 . 6 1 1 A 63 63 VAL H H 63 7.174 7.526 -0.352 1
1 773 . 6 1 1 A 63 63 VAL HA H 63 4.503 4.629 -0.126 1
1 781 . 6 1 1 A 63 63 VAL C C 63 173.221 175.721 -2.500 1
1 782 . 6 1 1 A 63 63 VAL CA C 63 57.573 58.847 -1.274 1
1 783 . 6 1 1 A 63 63 VAL CB C 63 31.826 35.582 -3.756 1
1 786 . 6 1 1 A 63 63 VAL N N 63 114.625 115.221 -0.596 1
1 787 . 6 1 1 A 64 64 LYS H H 64 8.112 8.755 -0.643 1
1 788 . 6 1 1 A 64 64 LYS HA H 64 4.105 4.203 -0.098 1
1 796 . 6 1 1 A 64 64 LYS C C 64 174.259 176.535 -2.276 1
1 797 . 6 1 1 A 64 64 LYS CA C 64 54.586 57.656 -3.070 1
1 798 . 6 1 1 A 64 64 LYS CB C 64 30.837 33.000 -2.163 1
1 802 . 6 1 1 A 64 64 LYS N N 64 119.722 121.771 -2.049 1
1 803 . 6 1 1 A 65 65 HIS H H 65 7.496 7.739 -0.243 1
1 804 . 6 1 1 A 65 65 HIS HA H 65 4.497 5.195 -0.698 1
1 809 . 6 1 1 A 65 65 HIS C C 65 170.028 174.436 -4.408 1
1 810 . 6 1 1 A 65 65 HIS CA C 65 52.491 54.729 -2.238 1
1 811 . 6 1 1 A 65 65 HIS CB C 65 29.149 31.874 -2.725 1
1 814 . 6 1 1 A 65 65 HIS N N 65 117.336 115.227 2.109 1
1 815 . 6 1 1 A 66 66 ASN H H 66 8.135 9.125 -0.990 1
1 816 . 6 1 1 A 66 66 ASN HA H 66 4.986 5.212 -0.226 1
1 821 . 6 1 1 A 66 66 ASN C C 66 171.088 173.271 -2.183 1
1 822 . 6 1 1 A 66 66 ASN CA C 66 47.732 50.532 -2.800 1
1 823 . 6 1 1 A 66 66 ASN CB C 66 39.365 40.120 -0.755 1
1 824 . 6 1 1 A 66 66 ASN N N 66 118.616 121.190 -2.574 1
1 826 . 6 1 1 A 67 67 PRO HA H 67 4.408 4.203 0.205 1
1 833 . 6 1 1 A 67 67 PRO C C 67 173.325 175.267 -1.942 1
1 834 . 6 1 1 A 67 67 PRO CA C 67 60.535 62.485 -1.950 1
1 835 . 6 1 1 A 67 67 PRO CB C 67 31.065 32.538 -1.473 1
1 838 . 6 1 1 A 68 68 GLN H H 68 8.323 8.310 0.013 1
1 839 . 6 1 1 A 68 68 GLN HA H 68 4.295 4.610 -0.315 1
1 846 . 6 1 1 A 68 68 GLN C C 68 172.005 174.517 -2.512 1
1 847 . 6 1 1 A 68 68 GLN CA C 68 51.805 54.748 -2.943 1
1 848 . 6 1 1 A 68 68 GLN CB C 68 30.014 32.037 -2.023 1
1 850 . 6 1 1 A 68 68 GLN N N 68 118.089 121.504 -3.415 1
1 852 . 6 1 1 A 69 69 LYS H H 69 8.268 8.463 -0.195 1
1 853 . 6 1 1 A 69 69 LYS HA H 69 4.907 4.437 0.470 1
1 862 . 6 1 1 A 69 69 LYS C C 69 174.226 176.428 -2.202 1
1 863 . 6 1 1 A 69 69 LYS CA C 69 53.598 56.402 -2.804 1
1 864 . 6 1 1 A 69 69 LYS CB C 69 30.096 32.555 -2.459 1
1 868 . 6 1 1 A 69 69 LYS N N 69 125.766 128.012 -2.246 1
1 869 . 6 1 1 A 70 70 VAL H H 70 9.409 8.890 0.519 1
1 870 . 6 1 1 A 70 70 VAL HA H 70 4.723 5.059 -0.336 1
1 878 . 6 1 1 A 70 70 VAL C C 70 172.498 175.710 -3.212 1
1 879 . 6 1 1 A 70 70 VAL CA C 70 56.680 59.929 -3.249 1
1 880 . 6 1 1 A 70 70 VAL CB C 70 33.332 34.754 -1.422 1
1 883 . 6 1 1 A 70 70 VAL N N 70 120.660 120.306 0.354 1
1 884 . 6 1 1 A 71 71 GLY H H 71 8.445 8.675 -0.230 1
1 885 . 6 1 1 A 71 71 GLY HA2 H 71 4.961 4.264 0.697 1
1 886 . 6 1 1 A 71 71 GLY HA3 H 71 3.898 4.314 -0.416 1
1 887 . 6 1 1 A 71 71 GLY C C 71 172.669 174.815 -2.146 1
1 888 . 6 1 1 A 71 71 GLY CA C 71 40.896 44.354 -3.458 1
1 889 . 6 1 1 A 71 71 GLY N N 71 106.755 109.745 -2.990 1
1 890 . 6 1 1 A 72 72 LYS H H 72 8.573 9.003 -0.430 1
1 891 . 6 1 1 A 72 72 LYS HA H 72 3.454 4.100 -0.646 1
1 900 . 6 1 1 A 72 72 LYS C C 72 172.853 176.626 -3.773 1
1 901 . 6 1 1 A 72 72 LYS CA C 72 56.108 58.456 -2.348 1
1 902 . 6 1 1 A 72 72 LYS CB C 72 29.993 32.587 -2.594 1
1 906 . 6 1 1 A 72 72 LYS N N 72 114.685 118.190 -3.505 1
1 907 . 6 1 1 A 73 73 ASP H H 73 8.517 8.078 0.439 1
1 908 . 6 1 1 A 73 73 ASP HA H 73 4.543 4.744 -0.201 1
1 911 . 6 1 1 A 73 73 ASP C C 73 173.041 175.888 -2.847 1
1 912 . 6 1 1 A 73 73 ASP CA C 73 51.118 53.620 -2.502 1
1 913 . 6 1 1 A 73 73 ASP CB C 73 38.311 41.086 -2.775 1
1 914 . 6 1 1 A 73 73 ASP N N 73 115.449 119.273 -3.824 1
1 915 . 6 1 1 A 74 74 HIS H H 74 7.173 7.819 -0.646 1
1 916 . 6 1 1 A 74 74 HIS HA H 74 4.084 4.629 -0.545 1
1 921 . 6 1 1 A 74 74 HIS C C 74 172.466 174.868 -2.402 1
1 922 . 6 1 1 A 74 74 HIS CA C 74 55.483 56.576 -1.093 1
1 923 . 6 1 1 A 74 74 HIS CB C 74 29.868 30.528 -0.660 1
1 926 . 6 1 1 A 74 74 HIS N N 74 120.387 119.985 0.402 1
1 927 . 6 1 1 A 75 75 THR H H 75 7.573 8.318 -0.745 1
1 928 . 6 1 1 A 75 75 THR HA H 75 3.562 4.265 -0.703 1
1 933 . 6 1 1 A 75 75 THR C C 75 170.555 174.363 -3.808 1
1 934 . 6 1 1 A 75 75 THR CA C 75 61.656 62.719 -1.063 1
1 935 . 6 1 1 A 75 75 THR CB C 75 66.449 69.268 -2.819 1
1 937 . 6 1 1 A 75 75 THR N N 75 123.519 120.719 2.800 1
1 938 . 6 1 1 A 76 76 LEU H H 76 8.300 8.562 -0.262 1
1 939 . 6 1 1 A 76 76 LEU HA H 76 4.187 4.625 -0.438 1
1 949 . 6 1 1 A 76 76 LEU C C 76 174.153 175.484 -1.331 1
1 950 . 6 1 1 A 76 76 LEU CA C 76 52.201 54.223 -2.022 1
1 951 . 6 1 1 A 76 76 LEU CB C 76 40.188 42.806 -2.618 1
1 955 . 6 1 1 A 76 76 LEU N N 76 127.705 127.289 0.416 1
1 956 . 6 1 1 A 77 77 GLU H H 77 9.006 8.787 0.219 1
1 957 . 6 1 1 A 77 77 GLU HA H 77 4.295 4.966 -0.671 1
1 962 . 6 1 1 A 77 77 GLU C C 77 172.035 175.352 -3.317 1
1 963 . 6 1 1 A 77 77 GLU CA C 77 51.734 54.234 -2.500 1
1 964 . 6 1 1 A 77 77 GLU CB C 77 30.671 33.719 -3.048 1
1 966 . 6 1 1 A 77 77 GLU N N 77 120.330 119.590 0.740 1
1 967 . 6 1 1 A 78 78 ASP H H 78 8.375 8.743 -0.368 1
1 968 . 6 1 1 A 78 78 ASP HA H 78 4.289 4.628 -0.339 1
1 971 . 6 1 1 A 78 78 ASP C C 78 174.522 175.924 -1.402 1
1 972 . 6 1 1 A 78 78 ASP CA C 78 54.779 54.119 0.660 1
1 973 . 6 1 1 A 78 78 ASP CB C 78 39.200 41.433 -2.233 1
1 974 . 6 1 1 A 78 78 ASP N N 78 116.751 121.382 -4.631 1
1 975 . 6 1 1 A 79 79 GLU H H 79 9.867 8.915 0.952 1
1 976 . 6 1 1 A 79 79 GLU HA H 79 3.685 3.966 -0.281 1
1 981 . 6 1 1 A 79 79 GLU C C 79 172.755 174.792 -2.037 1
1 982 . 6 1 1 A 79 79 GLU CA C 79 57.384 57.251 0.133 1
1 983 . 6 1 1 A 79 79 GLU CB C 79 24.429 27.963 -3.534 1
1 985 . 6 1 1 A 79 79 GLU N N 79 119.409 116.965 2.444 1
1 986 . 6 1 1 A 80 80 ASP H H 80 8.212 7.162 1.050 1
1 987 . 6 1 1 A 80 80 ASP HA H 80 4.833 5.338 -0.505 1
1 990 . 6 1 1 A 80 80 ASP C C 80 171.935 174.994 -3.059 1
1 991 . 6 1 1 A 80 80 ASP CA C 80 53.900 53.190 0.710 1
1 992 . 6 1 1 A 80 80 ASP CB C 80 39.633 43.856 -4.223 1
1 993 . 6 1 1 A 80 80 ASP N N 80 121.227 117.576 3.651 1
1 994 . 6 1 1 A 81 81 VAL H H 81 8.638 9.120 -0.482 1
1 995 . 6 1 1 A 81 81 VAL HA H 81 5.055 5.301 -0.246 1
1 1003 . 6 1 1 A 81 81 VAL C C 81 172.826 174.756 -1.930 1
1 1004 . 6 1 1 A 81 81 VAL CA C 81 57.723 61.989 -4.266 1
1 1005 . 6 1 1 A 81 81 VAL CB C 81 31.767 33.368 -1.601 1
1 1008 . 6 1 1 A 81 81 VAL N N 81 118.946 123.339 -4.393 1
1 1009 . 6 1 1 A 82 82 ILE H H 82 9.007 8.639 0.368 1
1 1010 . 6 1 1 A 82 82 ILE HA H 82 5.789 5.004 0.785 1
1 1020 . 6 1 1 A 82 82 ILE C C 82 170.143 173.401 -3.258 1
1 1021 . 6 1 1 A 82 82 ILE CA C 82 55.824 59.025 -3.201 1
1 1022 . 6 1 1 A 82 82 ILE CB C 82 41.574 41.771 -0.197 1
1 1026 . 6 1 1 A 82 82 ILE N N 82 124.391 128.753 -4.362 1
1 1027 . 6 1 1 A 83 83 GLN H H 83 9.415 8.995 0.420 1
1 1028 . 6 1 1 A 83 83 GLN HA H 83 4.815 4.920 -0.105 1
1 1035 . 6 1 1 A 83 83 GLN C C 83 172.719 174.505 -1.786 1
1 1036 . 6 1 1 A 83 83 GLN CA C 83 52.016 54.639 -2.623 1
1 1037 . 6 1 1 A 83 83 GLN CB C 83 32.094 30.253 1.841 1
1 1039 . 6 1 1 A 83 83 GLN N N 83 127.774 129.543 -1.769 1
1 1041 . 6 1 1 A 84 84 ILE H H 84 8.878 8.639 0.239 1
1 1042 . 6 1 1 A 84 84 ILE HA H 84 4.074 4.493 -0.419 1
1 1052 . 6 1 1 A 84 84 ILE C C 84 173.096 175.915 -2.819 1
1 1053 . 6 1 1 A 84 84 ILE CA C 84 57.372 61.049 -3.677 1
1 1054 . 6 1 1 A 84 84 ILE CB C 84 34.771 37.174 -2.403 1
1 1058 . 6 1 1 A 84 84 ILE N N 84 126.673 127.182 -0.509 1
1 1059 . 6 1 1 A 85 85 VAL H H 85 8.562 8.270 0.292 1
1 1060 . 6 1 1 A 85 85 VAL HA H 85 3.914 4.716 -0.802 1
1 1068 . 6 1 1 A 85 85 VAL C C 85 172.438 174.619 -2.181 1
1 1069 . 6 1 1 A 85 85 VAL CA C 85 60.112 60.269 -0.157 1
1 1070 . 6 1 1 A 85 85 VAL CB C 85 28.964 32.893 -3.929 1
1 1073 . 6 1 1 A 85 85 VAL N N 85 130.400 123.457 6.943 1
1 1074 . 6 1 1 A 86 86 LYS H H 86 8.399 8.583 -0.184 1
1 1075 . 6 1 1 A 86 86 LYS HA H 86 4.640 4.953 -0.313 1
1 1084 . 6 1 1 A 86 86 LYS C C 86 174.388 176.173 -1.785 1
1 1085 . 6 1 1 A 86 86 LYS CA C 86 53.301 54.754 -1.453 1
1 1086 . 6 1 1 A 86 86 LYS CB C 86 32.587 34.020 -1.433 1
1 1090 . 6 1 1 A 86 86 LYS N N 86 126.582 122.869 3.713 1
1 1091 . 6 1 1 A 87 87 LYS H H 87 8.485 8.475 0.010 1
1 1092 . 6 1 1 A 87 87 LYS HA H 87 3.923 4.070 -0.147 1
1 1101 . 6 1 1 A 87 87 LYS C C 87 174.196 176.079 -1.883 1
1 1102 . 6 1 1 A 87 87 LYS CA C 87 55.171 56.555 -1.384 1
1 1103 . 6 1 1 A 87 87 LYS CB C 87 31.274 32.462 -1.188 1
1 1107 . 6 1 1 A 87 87 LYS N N 87 119.203 124.388 -5.185 1
1 1108 . 6 1 1 A 89 89 GLY HA2 H 89 4.034 4.142 -0.108 1
1 1109 . 6 1 1 A 89 89 GLY HA3 H 89 4.034 4.143 -0.109 1
1 1110 . 6 1 1 A 89 89 GLY CA C 89 42.366 45.579 -3.213 1
1 1111 . 6 1 1 A 90 90 PRO HA H 90 4.369 4.779 -0.410 1
1 1118 . 6 1 1 A 90 90 PRO CA C 90 61.070 62.677 -1.607 1
1 1119 . 6 1 1 A 90 90 PRO CB C 90 29.818 32.008 -2.190 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.759 3.873 -0.114 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.759 3.996 -0.237 1
1 3 . 7 1 1 A 7 7 GLY C C 7 171.455 174.376 -2.921 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 42.980 46.432 -3.452 1
1 5 . 7 1 1 A 8 8 TYR H H 8 7.813 7.210 0.603 1
1 6 . 7 1 1 A 8 8 TYR HA H 8 4.391 4.463 -0.072 1
1 13 . 7 1 1 A 8 8 TYR C C 8 173.043 175.623 -2.580 1
1 14 . 7 1 1 A 8 8 TYR CA C 8 55.501 58.131 -2.630 1
1 15 . 7 1 1 A 8 8 TYR CB C 8 36.317 38.527 -2.210 1
1 20 . 7 1 1 A 8 8 TYR N N 8 119.411 120.283 -0.872 1
1 21 . 7 1 1 A 9 9 LEU H H 9 7.861 7.416 0.445 1
1 22 . 7 1 1 A 9 9 LEU HA H 9 4.118 4.605 -0.487 1
1 32 . 7 1 1 A 9 9 LEU C C 9 173.714 175.500 -1.786 1
1 33 . 7 1 1 A 9 9 LEU CA C 9 52.544 54.429 -1.885 1
1 34 . 7 1 1 A 9 9 LEU CB C 9 40.106 43.454 -3.348 1
1 38 . 7 1 1 A 9 9 LEU N N 9 123.594 122.854 0.740 1
1 39 . 7 1 1 A 10 10 LYS H H 10 7.976 8.694 -0.718 1
1 40 . 7 1 1 A 10 10 LYS HA H 10 4.108 4.572 -0.464 1
1 49 . 7 1 1 A 10 10 LYS C C 10 172.845 176.334 -3.489 1
1 50 . 7 1 1 A 10 10 LYS CA C 10 54.150 55.827 -1.677 1
1 51 . 7 1 1 A 10 10 LYS CB C 10 30.736 33.356 -2.620 1
1 55 . 7 1 1 A 10 10 LYS N N 10 122.047 128.320 -6.273 1
1 56 . 7 1 1 A 11 11 LEU H H 11 8.102 8.416 -0.314 1
1 57 . 7 1 1 A 11 11 LEU HA H 11 4.711 5.127 -0.416 1
1 67 . 7 1 1 A 11 11 LEU C C 11 173.849 176.172 -2.323 1
1 68 . 7 1 1 A 11 11 LEU CA C 11 51.523 53.576 -2.053 1
1 69 . 7 1 1 A 11 11 LEU CB C 11 41.767 43.864 -2.097 1
1 73 . 7 1 1 A 11 11 LEU N N 11 123.872 125.414 -1.542 1
1 74 . 7 1 1 A 12 12 VAL H H 12 8.956 8.474 0.482 1
1 75 . 7 1 1 A 12 12 VAL HA H 12 4.044 4.581 -0.537 1
1 83 . 7 1 1 A 12 12 VAL C C 12 171.356 175.057 -3.701 1
1 84 . 7 1 1 A 12 12 VAL CA C 12 59.549 61.846 -2.297 1
1 85 . 7 1 1 A 12 12 VAL CB C 12 31.500 34.116 -2.616 1
1 88 . 7 1 1 A 12 12 VAL N N 12 122.036 122.902 -0.866 1
1 89 . 7 1 1 A 13 13 ARG H H 13 9.211 8.890 0.321 1
1 90 . 7 1 1 A 13 13 ARG HA H 13 4.434 4.705 -0.271 1
1 98 . 7 1 1 A 13 13 ARG C C 13 171.964 175.519 -3.555 1
1 99 . 7 1 1 A 13 13 ARG CA C 13 52.791 55.968 -3.177 1
1 100 . 7 1 1 A 13 13 ARG CB C 13 29.067 30.684 -1.617 1
1 103 . 7 1 1 A 13 13 ARG N N 13 125.178 126.416 -1.238 1
1 105 . 7 1 1 A 14 14 ILE H H 14 8.811 8.581 0.230 1
1 106 . 7 1 1 A 14 14 ILE HA H 14 4.592 4.886 -0.294 1
1 116 . 7 1 1 A 14 14 ILE C C 14 173.197 174.476 -1.279 1
1 117 . 7 1 1 A 14 14 ILE CA C 14 55.308 60.283 -4.975 1
1 118 . 7 1 1 A 14 14 ILE CB C 14 36.411 40.649 -4.238 1
1 122 . 7 1 1 A 14 14 ILE N N 14 122.061 123.751 -1.690 1
1 123 . 7 1 1 A 15 15 TYR H H 15 8.781 8.973 -0.192 1
1 124 . 7 1 1 A 15 15 TYR HA H 15 5.103 4.992 0.111 1
1 131 . 7 1 1 A 15 15 TYR C C 15 172.764 175.758 -2.994 1
1 132 . 7 1 1 A 15 15 TYR CA C 15 53.740 57.365 -3.625 1
1 133 . 7 1 1 A 15 15 TYR CB C 15 37.340 37.880 -0.540 1
1 138 . 7 1 1 A 15 15 TYR N N 15 125.241 127.152 -1.911 1
1 139 . 7 1 1 A 16 16 THR H H 16 8.961 8.939 0.022 1
1 140 . 7 1 1 A 16 16 THR HA H 16 4.806 4.378 0.428 1
1 145 . 7 1 1 A 16 16 THR C C 16 171.478 173.429 -1.951 1
1 146 . 7 1 1 A 16 16 THR CA C 16 59.180 63.379 -4.199 1
1 147 . 7 1 1 A 16 16 THR CB C 16 68.174 69.541 -1.367 1
1 149 . 7 1 1 A 16 16 THR N N 16 116.007 121.218 -5.211 1
1 150 . 7 1 1 A 17 17 LYS H H 17 8.397 8.943 -0.546 1
1 151 . 7 1 1 A 17 17 LYS HA H 17 4.446 5.027 -0.581 1
1 160 . 7 1 1 A 17 17 LYS C C 17 170.870 174.331 -3.461 1
1 161 . 7 1 1 A 17 17 LYS CA C 17 50.238 52.831 -2.593 1
1 162 . 7 1 1 A 17 17 LYS CB C 17 32.677 34.048 -1.371 1
1 166 . 7 1 1 A 17 17 LYS N N 17 125.122 128.866 -3.744 1
1 167 . 7 1 1 A 18 18 PRO HA H 18 4.474 4.586 -0.112 1
1 174 . 7 1 1 A 18 18 PRO C C 18 174.170 177.271 -3.101 1
1 175 . 7 1 1 A 18 18 PRO CA C 18 59.250 62.807 -3.557 1
1 176 . 7 1 1 A 18 18 PRO CB C 18 29.517 32.039 -2.522 1
1 179 . 7 1 1 A 19 19 LYS H H 19 8.467 8.428 0.039 1
1 180 . 7 1 1 A 19 19 LYS HA H 19 3.887 4.110 -0.223 1
1 187 . 7 1 1 A 19 19 LYS C C 19 175.944 177.075 -1.131 1
1 188 . 7 1 1 A 19 19 LYS CA C 19 55.732 56.850 -1.118 1
1 189 . 7 1 1 A 19 19 LYS CB C 19 29.818 32.038 -2.220 1
1 193 . 7 1 1 A 19 19 LYS N N 19 121.921 120.049 1.872 1
1 194 . 7 1 1 A 20 20 GLY HA2 H 20 3.958 4.022 -0.064 1
1 195 . 7 1 1 A 20 20 GLY HA3 H 20 3.676 4.022 -0.346 1
1 196 . 7 1 1 A 20 20 GLY C C 20 171.329 174.076 -2.747 1
1 197 . 7 1 1 A 20 20 GLY CA C 20 43.304 45.197 -1.893 1
1 198 . 7 1 1 A 21 21 GLN H H 21 7.553 7.789 -0.236 1
1 199 . 7 1 1 A 21 21 GLN HA H 21 4.581 4.542 0.039 1
1 206 . 7 1 1 A 21 21 GLN C C 21 172.091 175.163 -3.072 1
1 207 . 7 1 1 A 21 21 GLN CA C 21 51.330 54.642 -3.312 1
1 208 . 7 1 1 A 21 21 GLN CB C 21 29.767 30.680 -0.913 1
1 210 . 7 1 1 A 21 21 GLN N N 21 117.269 121.605 -4.336 1
1 212 . 7 1 1 A 22 22 LEU H H 22 8.048 8.469 -0.421 1
1 213 . 7 1 1 A 22 22 LEU HA H 22 4.292 4.680 -0.388 1
1 223 . 7 1 1 A 22 22 LEU C C 22 171.986 174.888 -2.902 1
1 224 . 7 1 1 A 22 22 LEU CA C 22 50.950 52.464 -1.514 1
1 225 . 7 1 1 A 22 22 LEU CB C 22 38.362 41.141 -2.779 1
1 229 . 7 1 1 A 22 22 LEU N N 22 119.689 123.835 -4.146 1
1 230 . 7 1 1 A 23 23 PRO HA H 23 4.196 4.925 -0.729 1
1 237 . 7 1 1 A 23 23 PRO C C 23 172.331 176.379 -4.048 1
1 238 . 7 1 1 A 23 23 PRO CA C 23 59.882 62.517 -2.635 1
1 239 . 7 1 1 A 23 23 PRO CB C 23 28.948 31.616 -2.668 1
1 242 . 7 1 1 A 24 24 ASP H H 24 8.191 8.258 -0.067 1
1 243 . 7 1 1 A 24 24 ASP HA H 24 4.649 4.311 0.338 1
1 246 . 7 1 1 A 24 24 ASP C C 24 175.312 175.593 -0.281 1
1 247 . 7 1 1 A 24 24 ASP CA C 24 49.710 55.091 -5.381 1
1 248 . 7 1 1 A 24 24 ASP CB C 24 37.229 41.542 -4.313 1
1 249 . 7 1 1 A 24 24 ASP N N 24 118.307 121.983 -3.676 1
1 250 . 7 1 1 A 25 25 TYR H H 25 8.171 8.874 -0.703 1
1 251 . 7 1 1 A 25 25 TYR HA H 25 4.173 5.066 -0.893 1
1 258 . 7 1 1 A 25 25 TYR C C 25 173.720 176.364 -2.644 1
1 259 . 7 1 1 A 25 25 TYR CA C 25 57.297 58.034 -0.737 1
1 260 . 7 1 1 A 25 25 TYR CB C 25 34.897 39.726 -4.829 1
1 265 . 7 1 1 A 25 25 TYR N N 25 123.576 121.670 1.906 1
1 266 . 7 1 1 A 26 26 THR H H 26 8.278 7.816 0.462 1
1 267 . 7 1 1 A 26 26 THR HA H 26 4.343 4.715 -0.372 1
1 272 . 7 1 1 A 26 26 THR C C 26 173.145 174.342 -1.197 1
1 273 . 7 1 1 A 26 26 THR CA C 26 60.799 61.703 -0.904 1
1 274 . 7 1 1 A 26 26 THR CB C 26 67.379 70.751 -3.372 1
1 276 . 7 1 1 A 26 26 THR N N 26 109.145 110.345 -1.200 1
1 277 . 7 1 1 A 27 27 SER H H 27 7.085 8.104 -1.019 1
1 278 . 7 1 1 A 27 27 SER HA H 27 5.002 4.860 0.142 1
1 281 . 7 1 1 A 27 27 SER C C 27 169.729 172.468 -2.739 1
1 282 . 7 1 1 A 27 27 SER CA C 27 52.526 56.173 -3.647 1
1 283 . 7 1 1 A 27 27 SER CB C 27 61.215 63.901 -2.686 1
1 284 . 7 1 1 A 27 27 SER N N 27 114.134 117.481 -3.347 1
1 285 . 7 1 1 A 28 28 PRO HA H 28 4.553 4.590 -0.037 1
1 292 . 7 1 1 A 28 28 PRO C C 28 174.448 175.483 -1.035 1
1 293 . 7 1 1 A 28 28 PRO CA C 28 60.482 62.474 -1.992 1
1 294 . 7 1 1 A 28 28 PRO CB C 28 29.224 32.531 -3.307 1
1 297 . 7 1 1 A 29 29 VAL H H 29 9.191 8.245 0.946 1
1 298 . 7 1 1 A 29 29 VAL HA H 29 3.946 4.510 -0.564 1
1 306 . 7 1 1 A 29 29 VAL C C 29 172.641 174.614 -1.973 1
1 307 . 7 1 1 A 29 29 VAL CA C 29 60.367 60.656 -0.289 1
1 308 . 7 1 1 A 29 29 VAL CB C 29 30.546 33.948 -3.402 1
1 311 . 7 1 1 A 29 29 VAL N N 29 123.735 120.982 2.753 1
1 312 . 7 1 1 A 30 30 VAL H H 30 8.169 8.930 -0.761 1
1 313 . 7 1 1 A 30 30 VAL HA H 30 4.940 4.848 0.092 1
1 321 . 7 1 1 A 30 30 VAL C C 30 173.560 174.670 -1.110 1
1 322 . 7 1 1 A 30 30 VAL CA C 30 58.568 61.151 -2.583 1
1 323 . 7 1 1 A 30 30 VAL CB C 30 30.303 33.036 -2.733 1
1 326 . 7 1 1 A 30 30 VAL N N 30 125.255 129.924 -4.669 1
1 327 . 7 1 1 A 31 31 LEU H H 31 8.889 8.680 0.209 1
1 328 . 7 1 1 A 31 31 LEU HA H 31 4.816 4.703 0.113 1
1 338 . 7 1 1 A 31 31 LEU C C 31 171.113 174.792 -3.679 1
1 339 . 7 1 1 A 31 31 LEU CA C 31 48.760 52.795 -4.035 1
1 340 . 7 1 1 A 31 31 LEU CB C 31 40.938 41.109 -0.171 1
1 344 . 7 1 1 A 31 31 LEU N N 31 127.017 130.678 -3.661 1
1 345 . 7 1 1 A 32 32 PRO HA H 32 4.531 4.727 -0.196 1
1 352 . 7 1 1 A 32 32 PRO C C 32 174.294 177.619 -3.325 1
1 353 . 7 1 1 A 32 32 PRO CA C 32 59.648 62.826 -3.178 1
1 354 . 7 1 1 A 32 32 PRO CB C 32 29.349 31.691 -2.342 1
1 357 . 7 1 1 A 33 33 TYR H H 33 8.105 8.877 -0.772 1
1 358 . 7 1 1 A 33 33 TYR HA H 33 3.788 4.047 -0.259 1
1 365 . 7 1 1 A 33 33 TYR C C 33 173.470 177.217 -3.747 1
1 366 . 7 1 1 A 33 33 TYR CA C 33 58.159 62.295 -4.136 1
1 367 . 7 1 1 A 33 33 TYR CB C 33 36.244 39.106 -2.862 1
1 372 . 7 1 1 A 33 33 TYR N N 33 120.060 126.308 -6.248 1
1 373 . 7 1 1 A 34 34 SER H H 34 7.868 8.380 -0.512 1
1 374 . 7 1 1 A 34 34 SER HA H 34 3.814 4.195 -0.381 1
1 377 . 7 1 1 A 34 34 SER C C 34 171.946 174.203 -2.257 1
1 378 . 7 1 1 A 34 34 SER CA C 34 58.212 61.342 -3.130 1
1 379 . 7 1 1 A 34 34 SER CB C 34 60.928 63.020 -2.092 1
1 380 . 7 1 1 A 34 34 SER N N 34 116.733 114.488 2.245 1
1 381 . 7 1 1 A 35 35 ARG H H 35 7.883 8.471 -0.588 1
1 382 . 7 1 1 A 35 35 ARG HA H 35 4.575 4.632 -0.057 1
1 389 . 7 1 1 A 35 35 ARG C C 35 172.091 174.634 -2.543 1
1 390 . 7 1 1 A 35 35 ARG CA C 35 52.067 54.917 -2.850 1
1 391 . 7 1 1 A 35 35 ARG CB C 35 28.228 31.366 -3.138 1
1 394 . 7 1 1 A 35 35 ARG N N 35 125.492 119.026 6.466 1
1 395 . 7 1 1 A 36 36 THR H H 36 7.874 8.658 -0.784 1
1 396 . 7 1 1 A 36 36 THR HA H 36 4.613 5.199 -0.586 1
1 401 . 7 1 1 A 36 36 THR C C 36 173.095 173.554 -0.459 1
1 402 . 7 1 1 A 36 36 THR CA C 36 57.029 60.535 -3.506 1
1 403 . 7 1 1 A 36 36 THR CB C 36 66.113 70.894 -4.781 1
1 405 . 7 1 1 A 36 36 THR N N 36 107.510 114.176 -6.666 1
1 406 . 7 1 1 A 37 37 THR H H 37 8.804 8.526 0.278 1
1 407 . 7 1 1 A 37 37 THR HA H 37 5.288 4.613 0.675 1
1 412 . 7 1 1 A 37 37 THR C C 37 174.234 174.363 -0.129 1
1 413 . 7 1 1 A 37 37 THR CA C 37 59.681 60.714 -1.033 1
1 414 . 7 1 1 A 37 37 THR CB C 37 70.032 71.281 -1.249 1
1 416 . 7 1 1 A 37 37 THR N N 37 112.714 117.202 -4.488 1
1 417 . 7 1 1 A 38 38 VAL H H 38 8.269 8.858 -0.589 1
1 418 . 7 1 1 A 38 38 VAL HA H 38 3.485 3.566 -0.081 1
1 426 . 7 1 1 A 38 38 VAL C C 38 175.909 177.311 -1.402 1
1 427 . 7 1 1 A 38 38 VAL CA C 38 64.496 66.729 -2.233 1
1 428 . 7 1 1 A 38 38 VAL CB C 38 29.015 31.798 -2.783 1
1 431 . 7 1 1 A 38 38 VAL N N 38 121.372 122.618 -1.246 1
1 432 . 7 1 1 A 39 39 GLU H H 39 8.597 7.733 0.864 1
1 433 . 7 1 1 A 39 39 GLU HA H 39 3.495 3.924 -0.429 1
1 438 . 7 1 1 A 39 39 GLU C C 39 174.769 178.412 -3.643 1
1 439 . 7 1 1 A 39 39 GLU CA C 39 58.418 59.217 -0.799 1
1 440 . 7 1 1 A 39 39 GLU CB C 39 27.358 29.239 -1.881 1
1 442 . 7 1 1 A 39 39 GLU N N 39 121.954 119.462 2.492 1
1 443 . 7 1 1 A 40 40 ASP H H 40 7.493 8.142 -0.649 1
1 444 . 7 1 1 A 40 40 ASP HA H 40 4.071 4.290 -0.219 1
1 447 . 7 1 1 A 40 40 ASP C C 40 176.738 178.335 -1.597 1
1 448 . 7 1 1 A 40 40 ASP CA C 40 55.877 57.102 -1.225 1
1 449 . 7 1 1 A 40 40 ASP CB C 40 38.721 41.594 -2.873 1
1 450 . 7 1 1 A 40 40 ASP N N 40 119.054 120.035 -0.981 1
1 451 . 7 1 1 A 41 41 PHE H H 41 8.429 8.188 0.241 1
1 452 . 7 1 1 A 41 41 PHE HA H 41 3.750 4.091 -0.341 1
1 460 . 7 1 1 A 41 41 PHE C C 41 173.786 176.807 -3.021 1
1 461 . 7 1 1 A 41 41 PHE CA C 41 59.851 61.087 -1.236 1
1 462 . 7 1 1 A 41 41 PHE CB C 41 36.135 38.809 -2.674 1
1 468 . 7 1 1 A 41 41 PHE N N 41 121.017 119.823 1.194 1
1 469 . 7 1 1 A 42 42 CYS H H 42 8.527 7.933 0.594 1
1 470 . 7 1 1 A 42 42 CYS HA H 42 3.752 4.220 -0.468 1
1 473 . 7 1 1 A 42 42 CYS C C 42 174.065 177.344 -3.279 1
1 474 . 7 1 1 A 42 42 CYS CA C 42 62.453 62.873 -0.420 1
1 475 . 7 1 1 A 42 42 CYS CB C 42 24.429 26.696 -2.267 1
1 476 . 7 1 1 A 42 42 CYS N N 42 116.390 117.199 -0.809 1
1 477 . 7 1 1 A 43 43 MET H H 43 7.739 8.083 -0.344 1
1 478 . 7 1 1 A 43 43 MET HA H 43 3.885 4.113 -0.228 1
1 486 . 7 1 1 A 43 43 MET C C 43 175.345 178.592 -3.247 1
1 487 . 7 1 1 A 43 43 MET CA C 43 54.460 58.423 -3.963 1
1 488 . 7 1 1 A 43 43 MET CB C 43 28.872 32.573 -3.701 1
1 491 . 7 1 1 A 43 43 MET N N 43 114.377 119.194 -4.817 1
1 492 . 7 1 1 A 44 44 LYS H H 44 7.257 7.577 -0.320 1
1 493 . 7 1 1 A 44 44 LYS HA H 44 3.896 3.957 -0.061 1
1 502 . 7 1 1 A 44 44 LYS C C 44 175.198 178.497 -3.299 1
1 503 . 7 1 1 A 44 44 LYS CA C 44 54.181 58.410 -4.229 1
1 504 . 7 1 1 A 44 44 LYS CB C 44 29.291 31.793 -2.502 1
1 508 . 7 1 1 A 44 44 LYS N N 44 117.480 118.394 -0.914 1
1 509 . 7 1 1 A 45 45 ILE H H 45 7.146 7.354 -0.208 1
1 510 . 7 1 1 A 45 45 ILE HA H 45 3.697 4.011 -0.314 1
1 520 . 7 1 1 A 45 45 ILE C C 45 174.894 176.020 -1.126 1
1 521 . 7 1 1 A 45 45 ILE CA C 45 59.954 63.158 -3.204 1
1 522 . 7 1 1 A 45 45 ILE CB C 45 33.943 38.511 -4.568 1
1 526 . 7 1 1 A 45 45 ILE N N 45 119.267 116.492 2.775 1
1 527 . 7 1 1 A 46 46 HIS H H 46 7.982 7.887 0.095 1
1 528 . 7 1 1 A 46 46 HIS HA H 46 4.200 4.823 -0.623 1
1 533 . 7 1 1 A 46 46 HIS C C 46 173.349 175.122 -1.773 1
1 534 . 7 1 1 A 46 46 HIS CA C 46 56.363 55.779 0.584 1
1 535 . 7 1 1 A 46 46 HIS CB C 46 30.998 32.417 -1.419 1
1 538 . 7 1 1 A 46 46 HIS N N 46 116.498 117.289 -0.791 1
1 539 . 7 1 1 A 47 47 LYS H H 47 8.478 8.548 -0.070 1
1 540 . 7 1 1 A 47 47 LYS HA H 47 4.091 3.774 0.317 1
1 545 . 7 1 1 A 47 47 LYS C C 47 174.519 177.251 -2.732 1
1 546 . 7 1 1 A 47 47 LYS CA C 47 57.279 59.184 -1.905 1
1 547 . 7 1 1 A 47 47 LYS CB C 47 29.709 32.244 -2.535 1
1 551 . 7 1 1 A 47 47 LYS N N 47 127.686 125.943 1.743 1
1 552 . 7 1 1 A 48 48 ASN H H 48 10.623 7.713 2.910 1
1 553 . 7 1 1 A 48 48 ASN HA H 48 4.839 5.133 -0.294 1
1 558 . 7 1 1 A 48 48 ASN C C 48 175.138 176.060 -0.922 1
1 559 . 7 1 1 A 48 48 ASN CA C 48 50.960 52.750 -1.790 1
1 560 . 7 1 1 A 48 48 ASN CB C 48 36.975 39.149 -2.174 1
1 561 . 7 1 1 A 48 48 ASN N N 48 118.711 115.335 3.376 1
1 563 . 7 1 1 A 49 49 LEU H H 49 7.796 7.992 -0.196 1
1 564 . 7 1 1 A 49 49 LEU HA H 49 4.103 4.348 -0.245 1
1 574 . 7 1 1 A 49 49 LEU C C 49 176.976 178.293 -1.317 1
1 575 . 7 1 1 A 49 49 LEU CA C 49 56.381 57.329 -0.948 1
1 576 . 7 1 1 A 49 49 LEU CB C 49 39.064 42.475 -3.411 1
1 580 . 7 1 1 A 49 49 LEU N N 49 124.676 121.188 3.488 1
1 581 . 7 1 1 A 50 50 ILE H H 50 9.052 8.171 0.881 1
1 582 . 7 1 1 A 50 50 ILE HA H 50 4.060 3.852 0.208 1
1 592 . 7 1 1 A 50 50 ILE C C 50 173.983 177.692 -3.709 1
1 593 . 7 1 1 A 50 50 ILE CA C 50 57.842 64.220 -6.378 1
1 594 . 7 1 1 A 50 50 ILE CB C 50 35.943 37.974 -2.031 1
1 598 . 7 1 1 A 50 50 ILE N N 50 116.565 119.166 -2.601 1
1 599 . 7 1 1 A 51 51 LYS H H 51 7.275 8.088 -0.813 1
1 600 . 7 1 1 A 51 51 LYS HA H 51 4.143 3.925 0.218 1
1 609 . 7 1 1 A 51 51 LYS C C 51 175.668 179.346 -3.678 1
1 610 . 7 1 1 A 51 51 LYS CA C 51 55.696 60.453 -4.757 1
1 611 . 7 1 1 A 51 51 LYS CB C 51 29.767 32.081 -2.314 1
1 615 . 7 1 1 A 51 51 LYS N N 51 119.864 122.569 -2.705 1
1 616 . 7 1 1 A 52 52 GLU H H 52 7.590 8.151 -0.561 1
1 617 . 7 1 1 A 52 52 GLU HA H 52 4.319 4.345 -0.026 1
1 622 . 7 1 1 A 52 52 GLU C C 52 173.088 176.787 -3.699 1
1 623 . 7 1 1 A 52 52 GLU CA C 52 53.301 57.318 -4.017 1
1 624 . 7 1 1 A 52 52 GLU CB C 52 28.778 30.222 -1.444 1
1 626 . 7 1 1 A 52 52 GLU N N 52 116.453 116.561 -0.108 1
1 627 . 7 1 1 A 53 53 PHE H H 53 7.423 8.057 -0.634 1
1 628 . 7 1 1 A 53 53 PHE HA H 53 3.608 4.319 -0.711 1
1 636 . 7 1 1 A 53 53 PHE C C 53 170.946 175.260 -4.314 1
1 637 . 7 1 1 A 53 53 PHE CA C 53 57.983 59.676 -1.693 1
1 638 . 7 1 1 A 53 53 PHE CB C 53 38.913 39.817 -0.904 1
1 644 . 7 1 1 A 53 53 PHE N N 53 120.950 123.154 -2.204 1
1 645 . 7 1 1 A 54 54 LYS H H 54 8.385 9.023 -0.638 1
1 646 . 7 1 1 A 54 54 LYS HA H 54 4.268 4.161 0.107 1
1 655 . 7 1 1 A 54 54 LYS C C 54 173.038 175.166 -2.128 1
1 656 . 7 1 1 A 54 54 LYS CA C 54 55.263 57.132 -1.869 1
1 657 . 7 1 1 A 54 54 LYS CB C 54 32.730 34.323 -1.593 1
1 661 . 7 1 1 A 54 54 LYS N N 54 128.686 126.570 2.116 1
1 662 . 7 1 1 A 55 55 TYR H H 55 7.083 7.281 -0.198 1
1 663 . 7 1 1 A 55 55 TYR HA H 55 4.120 4.874 -0.754 1
1 670 . 7 1 1 A 55 55 TYR C C 55 168.503 173.211 -4.708 1
1 671 . 7 1 1 A 55 55 TYR CA C 55 55.198 55.945 -0.747 1
1 672 . 7 1 1 A 55 55 TYR CB C 55 35.633 40.585 -4.952 1
1 677 . 7 1 1 A 55 55 TYR N N 55 110.963 113.163 -2.200 1
1 678 . 7 1 1 A 56 56 ALA H H 56 8.836 8.771 0.065 1
1 679 . 7 1 1 A 56 56 ALA HA H 56 5.293 5.618 -0.325 1
1 683 . 7 1 1 A 56 56 ALA C C 56 172.993 176.029 -3.036 1
1 684 . 7 1 1 A 56 56 ALA CA C 56 47.088 50.641 -3.553 1
1 685 . 7 1 1 A 56 56 ALA CB C 56 20.287 22.590 -2.303 1
1 686 . 7 1 1 A 56 56 ALA N N 56 118.379 121.978 -3.599 1
1 687 . 7 1 1 A 57 57 LEU H H 57 8.880 8.836 0.044 1
1 688 . 7 1 1 A 57 57 LEU HA H 57 4.854 4.754 0.100 1
1 698 . 7 1 1 A 57 57 LEU C C 57 172.904 175.468 -2.564 1
1 699 . 7 1 1 A 57 57 LEU CA C 57 50.872 53.431 -2.559 1
1 700 . 7 1 1 A 57 57 LEU CB C 57 42.160 41.188 0.972 1
1 704 . 7 1 1 A 57 57 LEU N N 57 121.382 122.719 -1.337 1
1 705 . 7 1 1 A 58 58 VAL H H 58 8.123 8.086 0.037 1
1 706 . 7 1 1 A 58 58 VAL HA H 58 5.243 4.392 0.851 1
1 714 . 7 1 1 A 58 58 VAL C C 58 171.929 175.384 -3.455 1
1 715 . 7 1 1 A 58 58 VAL CA C 58 57.683 62.776 -5.093 1
1 716 . 7 1 1 A 58 58 VAL CB C 58 33.036 32.230 0.806 1
1 719 . 7 1 1 A 58 58 VAL N N 58 120.400 124.093 -3.693 1
1 720 . 7 1 1 A 59 59 TRP H H 59 9.316 9.211 0.105 1
1 721 . 7 1 1 A 59 59 TRP HA H 59 4.843 5.223 -0.380 1
1 730 . 7 1 1 A 59 59 TRP C C 59 173.582 176.630 -3.048 1
1 731 . 7 1 1 A 59 59 TRP CA C 59 54.736 55.010 -0.274 1
1 732 . 7 1 1 A 59 59 TRP CB C 59 30.514 30.746 -0.232 1
1 738 . 7 1 1 A 59 59 TRP N N 59 127.196 127.982 -0.786 1
1 740 . 7 1 1 A 60 60 GLY H H 60 8.531 8.380 0.151 1
1 741 . 7 1 1 A 60 60 GLY HA2 H 60 4.934 4.285 0.649 1
1 742 . 7 1 1 A 60 60 GLY HA3 H 60 4.123 4.286 -0.163 1
1 743 . 7 1 1 A 60 60 GLY C C 60 171.378 174.078 -2.700 1
1 744 . 7 1 1 A 60 60 GLY CA C 60 42.587 45.995 -3.408 1
1 745 . 7 1 1 A 60 60 GLY N N 60 110.481 110.474 0.007 1
1 746 . 7 1 1 A 61 61 LEU H H 61 8.188 8.875 -0.687 1
1 747 . 7 1 1 A 61 61 LEU HA H 61 4.141 4.004 0.137 1
1 757 . 7 1 1 A 61 61 LEU C C 61 176.897 178.679 -1.782 1
1 758 . 7 1 1 A 61 61 LEU CA C 61 54.357 57.639 -3.282 1
1 759 . 7 1 1 A 61 61 LEU CB C 61 39.942 41.339 -1.397 1
1 763 . 7 1 1 A 61 61 LEU N N 61 118.667 120.912 -2.245 1
1 764 . 7 1 1 A 62 62 SER H H 62 8.123 8.182 -0.059 1
1 765 . 7 1 1 A 62 62 SER HA H 62 4.284 4.211 0.073 1
1 768 . 7 1 1 A 62 62 SER C C 62 171.932 173.900 -1.968 1
1 769 . 7 1 1 A 62 62 SER CA C 62 57.279 61.505 -4.226 1
1 770 . 7 1 1 A 62 62 SER CB C 62 60.354 63.235 -2.881 1
1 771 . 7 1 1 A 62 62 SER N N 62 110.946 114.123 -3.177 1
1 772 . 7 1 1 A 63 63 VAL H H 63 7.174 7.229 -0.055 1
1 773 . 7 1 1 A 63 63 VAL HA H 63 4.503 4.551 -0.048 1
1 781 . 7 1 1 A 63 63 VAL C C 63 173.221 175.781 -2.560 1
1 782 . 7 1 1 A 63 63 VAL CA C 63 57.573 59.307 -1.734 1
1 783 . 7 1 1 A 63 63 VAL CB C 63 31.826 34.518 -2.692 1
1 786 . 7 1 1 A 63 63 VAL N N 63 114.625 115.661 -1.036 1
1 787 . 7 1 1 A 64 64 LYS H H 64 8.112 8.554 -0.442 1
1 788 . 7 1 1 A 64 64 LYS HA H 64 4.105 4.173 -0.068 1
1 796 . 7 1 1 A 64 64 LYS C C 64 174.259 176.768 -2.509 1
1 797 . 7 1 1 A 64 64 LYS CA C 64 54.586 57.658 -3.072 1
1 798 . 7 1 1 A 64 64 LYS CB C 64 30.837 32.768 -1.931 1
1 802 . 7 1 1 A 64 64 LYS N N 64 119.722 122.645 -2.923 1
1 803 . 7 1 1 A 65 65 HIS H H 65 7.496 7.662 -0.166 1
1 804 . 7 1 1 A 65 65 HIS HA H 65 4.497 5.195 -0.698 1
1 809 . 7 1 1 A 65 65 HIS C C 65 170.028 174.322 -4.294 1
1 810 . 7 1 1 A 65 65 HIS CA C 65 52.491 54.722 -2.231 1
1 811 . 7 1 1 A 65 65 HIS CB C 65 29.149 32.046 -2.897 1
1 814 . 7 1 1 A 65 65 HIS N N 65 117.336 115.261 2.075 1
1 815 . 7 1 1 A 66 66 ASN H H 66 8.135 9.245 -1.110 1
1 816 . 7 1 1 A 66 66 ASN HA H 66 4.986 5.251 -0.265 1
1 821 . 7 1 1 A 66 66 ASN C C 66 171.088 173.275 -2.187 1
1 822 . 7 1 1 A 66 66 ASN CA C 66 47.732 50.556 -2.824 1
1 823 . 7 1 1 A 66 66 ASN CB C 66 39.365 40.013 -0.648 1
1 824 . 7 1 1 A 66 66 ASN N N 66 118.616 121.731 -3.115 1
1 826 . 7 1 1 A 67 67 PRO HA H 67 4.408 4.284 0.124 1
1 833 . 7 1 1 A 67 67 PRO C C 67 173.325 175.236 -1.911 1
1 834 . 7 1 1 A 67 67 PRO CA C 67 60.535 62.452 -1.917 1
1 835 . 7 1 1 A 67 67 PRO CB C 67 31.065 32.608 -1.543 1
1 838 . 7 1 1 A 68 68 GLN H H 68 8.323 8.224 0.099 1
1 839 . 7 1 1 A 68 68 GLN HA H 68 4.295 4.575 -0.280 1
1 846 . 7 1 1 A 68 68 GLN C C 68 172.005 174.475 -2.470 1
1 847 . 7 1 1 A 68 68 GLN CA C 68 51.805 54.721 -2.916 1
1 848 . 7 1 1 A 68 68 GLN CB C 68 30.014 31.868 -1.854 1
1 850 . 7 1 1 A 68 68 GLN N N 68 118.089 121.003 -2.914 1
1 852 . 7 1 1 A 69 69 LYS H H 69 8.268 8.608 -0.340 1
1 853 . 7 1 1 A 69 69 LYS HA H 69 4.907 4.503 0.404 1
1 862 . 7 1 1 A 69 69 LYS C C 69 174.226 176.500 -2.274 1
1 863 . 7 1 1 A 69 69 LYS CA C 69 53.598 56.373 -2.775 1
1 864 . 7 1 1 A 69 69 LYS CB C 69 30.096 32.602 -2.506 1
1 868 . 7 1 1 A 69 69 LYS N N 69 125.766 127.883 -2.117 1
1 869 . 7 1 1 A 70 70 VAL H H 70 9.409 8.791 0.618 1
1 870 . 7 1 1 A 70 70 VAL HA H 70 4.723 4.910 -0.187 1
1 878 . 7 1 1 A 70 70 VAL C C 70 172.498 175.813 -3.315 1
1 879 . 7 1 1 A 70 70 VAL CA C 70 56.680 59.491 -2.811 1
1 880 . 7 1 1 A 70 70 VAL CB C 70 33.332 34.931 -1.599 1
1 883 . 7 1 1 A 70 70 VAL N N 70 120.660 119.873 0.787 1
1 884 . 7 1 1 A 71 71 GLY H H 71 8.445 8.581 -0.136 1
1 885 . 7 1 1 A 71 71 GLY HA2 H 71 4.961 4.263 0.698 1
1 886 . 7 1 1 A 71 71 GLY HA3 H 71 3.898 4.325 -0.427 1
1 887 . 7 1 1 A 71 71 GLY C C 71 172.669 174.865 -2.196 1
1 888 . 7 1 1 A 71 71 GLY CA C 71 40.896 44.733 -3.837 1
1 889 . 7 1 1 A 71 71 GLY N N 71 106.755 109.792 -3.037 1
1 890 . 7 1 1 A 72 72 LYS H H 72 8.573 8.896 -0.323 1
1 891 . 7 1 1 A 72 72 LYS HA H 72 3.454 4.111 -0.657 1
1 900 . 7 1 1 A 72 72 LYS C C 72 172.853 177.950 -5.097 1
1 901 . 7 1 1 A 72 72 LYS CA C 72 56.108 58.459 -2.351 1
1 902 . 7 1 1 A 72 72 LYS CB C 72 29.993 33.465 -3.472 1
1 906 . 7 1 1 A 72 72 LYS N N 72 114.685 118.209 -3.524 1
1 907 . 7 1 1 A 73 73 ASP H H 73 8.517 7.982 0.535 1
1 908 . 7 1 1 A 73 73 ASP HA H 73 4.543 4.585 -0.042 1
1 911 . 7 1 1 A 73 73 ASP C C 73 173.041 176.505 -3.464 1
1 912 . 7 1 1 A 73 73 ASP CA C 73 51.118 55.835 -4.717 1
1 913 . 7 1 1 A 73 73 ASP CB C 73 38.311 41.408 -3.097 1
1 914 . 7 1 1 A 73 73 ASP N N 73 115.449 118.107 -2.658 1
1 915 . 7 1 1 A 74 74 HIS H H 74 7.173 7.633 -0.460 1
1 916 . 7 1 1 A 74 74 HIS HA H 74 4.084 4.357 -0.273 1
1 921 . 7 1 1 A 74 74 HIS C C 74 172.466 174.929 -2.463 1
1 922 . 7 1 1 A 74 74 HIS CA C 74 55.483 57.255 -1.772 1
1 923 . 7 1 1 A 74 74 HIS CB C 74 29.868 30.195 -0.327 1
1 926 . 7 1 1 A 74 74 HIS N N 74 120.387 121.209 -0.822 1
1 927 . 7 1 1 A 75 75 THR H H 75 7.573 8.410 -0.837 1
1 928 . 7 1 1 A 75 75 THR HA H 75 3.562 4.107 -0.545 1
1 933 . 7 1 1 A 75 75 THR C C 75 170.555 174.189 -3.634 1
1 934 . 7 1 1 A 75 75 THR CA C 75 61.656 63.100 -1.444 1
1 935 . 7 1 1 A 75 75 THR CB C 75 66.449 68.798 -2.349 1
1 937 . 7 1 1 A 75 75 THR N N 75 123.519 121.645 1.874 1
1 938 . 7 1 1 A 76 76 LEU H H 76 8.300 8.497 -0.197 1
1 939 . 7 1 1 A 76 76 LEU HA H 76 4.187 4.205 -0.018 1
1 949 . 7 1 1 A 76 76 LEU C C 76 174.153 176.616 -2.463 1
1 950 . 7 1 1 A 76 76 LEU CA C 76 52.201 55.068 -2.867 1
1 951 . 7 1 1 A 76 76 LEU CB C 76 40.188 42.468 -2.280 1
1 955 . 7 1 1 A 76 76 LEU N N 76 127.705 127.326 0.379 1
1 956 . 7 1 1 A 77 77 GLU H H 77 9.006 8.875 0.131 1
1 957 . 7 1 1 A 77 77 GLU HA H 77 4.295 4.733 -0.438 1
1 962 . 7 1 1 A 77 77 GLU C C 77 172.035 175.868 -3.833 1
1 963 . 7 1 1 A 77 77 GLU CA C 77 51.734 54.286 -2.552 1
1 964 . 7 1 1 A 77 77 GLU CB C 77 30.671 32.912 -2.241 1
1 966 . 7 1 1 A 77 77 GLU N N 77 120.330 121.750 -1.420 1
1 967 . 7 1 1 A 78 78 ASP H H 78 8.375 8.805 -0.430 1
1 968 . 7 1 1 A 78 78 ASP HA H 78 4.289 4.559 -0.270 1
1 971 . 7 1 1 A 78 78 ASP C C 78 174.522 175.987 -1.465 1
1 972 . 7 1 1 A 78 78 ASP CA C 78 54.779 54.726 0.053 1
1 973 . 7 1 1 A 78 78 ASP CB C 78 39.200 41.054 -1.854 1
1 974 . 7 1 1 A 78 78 ASP N N 78 116.751 123.445 -6.694 1
1 975 . 7 1 1 A 79 79 GLU H H 79 9.867 9.036 0.831 1
1 976 . 7 1 1 A 79 79 GLU HA H 79 3.685 3.994 -0.309 1
1 981 . 7 1 1 A 79 79 GLU C C 79 172.755 174.695 -1.940 1
1 982 . 7 1 1 A 79 79 GLU CA C 79 57.384 57.606 -0.222 1
1 983 . 7 1 1 A 79 79 GLU CB C 79 24.429 27.982 -3.553 1
1 985 . 7 1 1 A 79 79 GLU N N 79 119.409 116.715 2.694 1
1 986 . 7 1 1 A 80 80 ASP H H 80 8.212 7.730 0.482 1
1 987 . 7 1 1 A 80 80 ASP HA H 80 4.833 5.347 -0.514 1
1 990 . 7 1 1 A 80 80 ASP C C 80 171.935 174.431 -2.496 1
1 991 . 7 1 1 A 80 80 ASP CA C 80 53.900 53.087 0.813 1
1 992 . 7 1 1 A 80 80 ASP CB C 80 39.633 44.676 -5.043 1
1 993 . 7 1 1 A 80 80 ASP N N 80 121.227 118.775 2.452 1
1 994 . 7 1 1 A 81 81 VAL H H 81 8.638 8.996 -0.358 1
1 995 . 7 1 1 A 81 81 VAL HA H 81 5.055 5.264 -0.209 1
1 1003 . 7 1 1 A 81 81 VAL C C 81 172.826 175.056 -2.230 1
1 1004 . 7 1 1 A 81 81 VAL CA C 81 57.723 61.838 -4.115 1
1 1005 . 7 1 1 A 81 81 VAL CB C 81 31.767 33.480 -1.713 1
1 1008 . 7 1 1 A 81 81 VAL N N 81 118.946 125.645 -6.699 1
1 1009 . 7 1 1 A 82 82 ILE H H 82 9.007 8.544 0.463 1
1 1010 . 7 1 1 A 82 82 ILE HA H 82 5.789 4.984 0.805 1
1 1020 . 7 1 1 A 82 82 ILE C C 82 170.143 173.119 -2.976 1
1 1021 . 7 1 1 A 82 82 ILE CA C 82 55.824 59.279 -3.455 1
1 1022 . 7 1 1 A 82 82 ILE CB C 82 41.574 42.369 -0.795 1
1 1026 . 7 1 1 A 82 82 ILE N N 82 124.391 126.958 -2.567 1
1 1027 . 7 1 1 A 83 83 GLN H H 83 9.415 8.846 0.569 1
1 1028 . 7 1 1 A 83 83 GLN HA H 83 4.815 5.077 -0.262 1
1 1035 . 7 1 1 A 83 83 GLN C C 83 172.719 174.342 -1.623 1
1 1036 . 7 1 1 A 83 83 GLN CA C 83 52.016 54.196 -2.180 1
1 1037 . 7 1 1 A 83 83 GLN CB C 83 32.094 31.722 0.372 1
1 1039 . 7 1 1 A 83 83 GLN N N 83 127.774 127.417 0.357 1
1 1041 . 7 1 1 A 84 84 ILE H H 84 8.878 8.959 -0.081 1
1 1042 . 7 1 1 A 84 84 ILE HA H 84 4.074 4.488 -0.414 1
1 1052 . 7 1 1 A 84 84 ILE C C 84 173.096 174.617 -1.521 1
1 1053 . 7 1 1 A 84 84 ILE CA C 84 57.372 60.152 -2.780 1
1 1054 . 7 1 1 A 84 84 ILE CB C 84 34.771 37.408 -2.637 1
1 1058 . 7 1 1 A 84 84 ILE N N 84 126.673 128.270 -1.597 1
1 1059 . 7 1 1 A 85 85 VAL H H 85 8.562 8.483 0.079 1
1 1060 . 7 1 1 A 85 85 VAL HA H 85 3.914 4.739 -0.825 1
1 1068 . 7 1 1 A 85 85 VAL C C 85 172.438 174.074 -1.636 1
1 1069 . 7 1 1 A 85 85 VAL CA C 85 60.112 59.695 0.417 1
1 1070 . 7 1 1 A 85 85 VAL CB C 85 28.964 33.663 -4.699 1
1 1073 . 7 1 1 A 85 85 VAL N N 85 130.400 128.636 1.764 1
1 1074 . 7 1 1 A 86 86 LYS H H 86 8.399 8.533 -0.134 1
1 1075 . 7 1 1 A 86 86 LYS HA H 86 4.640 4.727 -0.087 1
1 1084 . 7 1 1 A 86 86 LYS C C 86 174.388 176.910 -2.522 1
1 1085 . 7 1 1 A 86 86 LYS CA C 86 53.301 54.704 -1.403 1
1 1086 . 7 1 1 A 86 86 LYS CB C 86 32.587 34.040 -1.453 1
1 1090 . 7 1 1 A 86 86 LYS N N 86 126.582 127.836 -1.254 1
1 1091 . 7 1 1 A 87 87 LYS H H 87 8.485 8.612 -0.127 1
1 1092 . 7 1 1 A 87 87 LYS HA H 87 3.923 4.144 -0.221 1
1 1101 . 7 1 1 A 87 87 LYS C C 87 174.196 177.277 -3.081 1
1 1102 . 7 1 1 A 87 87 LYS CA C 87 55.171 57.561 -2.390 1
1 1103 . 7 1 1 A 87 87 LYS CB C 87 31.274 32.605 -1.331 1
1 1107 . 7 1 1 A 87 87 LYS N N 87 119.203 123.504 -4.301 1
1 1108 . 7 1 1 A 89 89 GLY HA2 H 89 4.034 4.217 -0.183 1
1 1109 . 7 1 1 A 89 89 GLY HA3 H 89 4.034 4.217 -0.183 1
1 1110 . 7 1 1 A 89 89 GLY CA C 89 42.366 44.031 -1.665 1
1 1111 . 7 1 1 A 90 90 PRO HA H 90 4.369 4.643 -0.274 1
1 1118 . 7 1 1 A 90 90 PRO CA C 90 61.070 62.813 -1.743 1
1 1119 . 7 1 1 A 90 90 PRO CB C 90 29.818 32.558 -2.740 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.759 3.627 0.132 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.759 3.811 -0.052 1
1 3 . 8 1 1 A 7 7 GLY C C 7 171.455 173.969 -2.514 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 42.980 45.124 -2.144 1
1 5 . 8 1 1 A 8 8 TYR H H 8 7.813 8.340 -0.527 1
1 6 . 8 1 1 A 8 8 TYR HA H 8 4.391 4.210 0.181 1
1 13 . 8 1 1 A 8 8 TYR C C 8 173.043 174.940 -1.897 1
1 14 . 8 1 1 A 8 8 TYR CA C 8 55.501 58.884 -3.383 1
1 15 . 8 1 1 A 8 8 TYR CB C 8 36.317 36.253 0.064 1
1 20 . 8 1 1 A 8 8 TYR N N 8 119.411 120.458 -1.047 1
1 21 . 8 1 1 A 9 9 LEU H H 9 7.861 7.881 -0.020 1
1 22 . 8 1 1 A 9 9 LEU HA H 9 4.118 4.395 -0.277 1
1 32 . 8 1 1 A 9 9 LEU C C 9 173.714 176.018 -2.304 1
1 33 . 8 1 1 A 9 9 LEU CA C 9 52.544 53.831 -1.287 1
1 34 . 8 1 1 A 9 9 LEU CB C 9 40.106 40.299 -0.193 1
1 38 . 8 1 1 A 9 9 LEU N N 9 123.594 122.592 1.002 1
1 39 . 8 1 1 A 10 10 LYS H H 10 7.976 8.197 -0.221 1
1 40 . 8 1 1 A 10 10 LYS HA H 10 4.108 4.252 -0.144 1
1 49 . 8 1 1 A 10 10 LYS C C 10 172.845 176.002 -3.157 1
1 50 . 8 1 1 A 10 10 LYS CA C 10 54.150 56.558 -2.408 1
1 51 . 8 1 1 A 10 10 LYS CB C 10 30.736 33.060 -2.324 1
1 55 . 8 1 1 A 10 10 LYS N N 10 122.047 125.997 -3.950 1
1 56 . 8 1 1 A 11 11 LEU H H 11 8.102 8.392 -0.290 1
1 57 . 8 1 1 A 11 11 LEU HA H 11 4.711 5.024 -0.313 1
1 67 . 8 1 1 A 11 11 LEU C C 11 173.849 175.382 -1.533 1
1 68 . 8 1 1 A 11 11 LEU CA C 11 51.523 53.441 -1.918 1
1 69 . 8 1 1 A 11 11 LEU CB C 11 41.767 43.026 -1.259 1
1 73 . 8 1 1 A 11 11 LEU N N 11 123.872 125.616 -1.744 1
1 74 . 8 1 1 A 12 12 VAL H H 12 8.956 9.152 -0.196 1
1 75 . 8 1 1 A 12 12 VAL HA H 12 4.044 4.641 -0.597 1
1 83 . 8 1 1 A 12 12 VAL C C 12 171.356 175.138 -3.782 1
1 84 . 8 1 1 A 12 12 VAL CA C 12 59.549 61.415 -1.866 1
1 85 . 8 1 1 A 12 12 VAL CB C 12 31.500 32.254 -0.754 1
1 88 . 8 1 1 A 12 12 VAL N N 12 122.036 125.924 -3.888 1
1 89 . 8 1 1 A 13 13 ARG H H 13 9.211 8.892 0.319 1
1 90 . 8 1 1 A 13 13 ARG HA H 13 4.434 5.024 -0.590 1
1 98 . 8 1 1 A 13 13 ARG C C 13 171.964 175.582 -3.618 1
1 99 . 8 1 1 A 13 13 ARG CA C 13 52.791 55.855 -3.064 1
1 100 . 8 1 1 A 13 13 ARG CB C 13 29.067 30.919 -1.852 1
1 103 . 8 1 1 A 13 13 ARG N N 13 125.178 126.571 -1.393 1
1 105 . 8 1 1 A 14 14 ILE H H 14 8.811 9.119 -0.308 1
1 106 . 8 1 1 A 14 14 ILE HA H 14 4.592 4.823 -0.231 1
1 116 . 8 1 1 A 14 14 ILE C C 14 173.197 174.556 -1.359 1
1 117 . 8 1 1 A 14 14 ILE CA C 14 55.308 59.941 -4.633 1
1 118 . 8 1 1 A 14 14 ILE CB C 14 36.411 40.078 -3.667 1
1 122 . 8 1 1 A 14 14 ILE N N 14 122.061 123.599 -1.538 1
1 123 . 8 1 1 A 15 15 TYR H H 15 8.781 9.173 -0.392 1
1 124 . 8 1 1 A 15 15 TYR HA H 15 5.103 5.094 0.009 1
1 131 . 8 1 1 A 15 15 TYR C C 15 172.764 175.738 -2.974 1
1 132 . 8 1 1 A 15 15 TYR CA C 15 53.740 57.121 -3.381 1
1 133 . 8 1 1 A 15 15 TYR CB C 15 37.340 37.961 -0.621 1
1 138 . 8 1 1 A 15 15 TYR N N 15 125.241 127.690 -2.449 1
1 139 . 8 1 1 A 16 16 THR H H 16 8.961 8.967 -0.006 1
1 140 . 8 1 1 A 16 16 THR HA H 16 4.806 4.369 0.437 1
1 145 . 8 1 1 A 16 16 THR C C 16 171.478 173.323 -1.845 1
1 146 . 8 1 1 A 16 16 THR CA C 16 59.180 63.147 -3.967 1
1 147 . 8 1 1 A 16 16 THR CB C 16 68.174 69.995 -1.821 1
1 149 . 8 1 1 A 16 16 THR N N 16 116.007 121.563 -5.556 1
1 150 . 8 1 1 A 17 17 LYS H H 17 8.397 8.362 0.035 1
1 151 . 8 1 1 A 17 17 LYS HA H 17 4.446 4.933 -0.487 1
1 160 . 8 1 1 A 17 17 LYS C C 17 170.870 174.531 -3.661 1
1 161 . 8 1 1 A 17 17 LYS CA C 17 50.238 52.697 -2.459 1
1 162 . 8 1 1 A 17 17 LYS CB C 17 32.677 34.386 -1.709 1
1 166 . 8 1 1 A 17 17 LYS N N 17 125.122 128.355 -3.233 1
1 167 . 8 1 1 A 18 18 PRO HA H 18 4.474 4.634 -0.160 1
1 174 . 8 1 1 A 18 18 PRO C C 18 174.170 177.253 -3.083 1
1 175 . 8 1 1 A 18 18 PRO CA C 18 59.250 62.974 -3.724 1
1 176 . 8 1 1 A 18 18 PRO CB C 18 29.517 31.560 -2.043 1
1 179 . 8 1 1 A 19 19 LYS H H 19 8.467 8.539 -0.072 1
1 180 . 8 1 1 A 19 19 LYS HA H 19 3.887 4.096 -0.209 1
1 187 . 8 1 1 A 19 19 LYS C C 19 175.944 177.008 -1.064 1
1 188 . 8 1 1 A 19 19 LYS CA C 19 55.732 57.206 -1.474 1
1 189 . 8 1 1 A 19 19 LYS CB C 19 29.818 32.000 -2.182 1
1 193 . 8 1 1 A 19 19 LYS N N 19 121.921 120.405 1.516 1
1 194 . 8 1 1 A 20 20 GLY HA2 H 20 3.958 3.975 -0.017 1
1 195 . 8 1 1 A 20 20 GLY HA3 H 20 3.676 3.980 -0.304 1
1 196 . 8 1 1 A 20 20 GLY C C 20 171.329 174.681 -3.352 1
1 197 . 8 1 1 A 20 20 GLY CA C 20 43.304 45.258 -1.954 1
1 198 . 8 1 1 A 21 21 GLN H H 21 7.553 7.683 -0.130 1
1 199 . 8 1 1 A 21 21 GLN HA H 21 4.581 4.409 0.172 1
1 206 . 8 1 1 A 21 21 GLN C C 21 172.091 175.865 -3.774 1
1 207 . 8 1 1 A 21 21 GLN CA C 21 51.330 55.749 -4.419 1
1 208 . 8 1 1 A 21 21 GLN CB C 21 29.767 30.554 -0.787 1
1 210 . 8 1 1 A 21 21 GLN N N 21 117.269 120.555 -3.286 1
1 212 . 8 1 1 A 22 22 LEU H H 22 8.048 8.237 -0.189 1
1 213 . 8 1 1 A 22 22 LEU HA H 22 4.292 4.759 -0.467 1
1 223 . 8 1 1 A 22 22 LEU C C 22 171.986 175.052 -3.066 1
1 224 . 8 1 1 A 22 22 LEU CA C 22 50.950 52.624 -1.674 1
1 225 . 8 1 1 A 22 22 LEU CB C 22 38.362 42.470 -4.108 1
1 229 . 8 1 1 A 22 22 LEU N N 22 119.689 120.385 -0.696 1
1 230 . 8 1 1 A 23 23 PRO HA H 23 4.196 4.755 -0.559 1
1 237 . 8 1 1 A 23 23 PRO C C 23 172.331 176.547 -4.216 1
1 238 . 8 1 1 A 23 23 PRO CA C 23 59.882 62.631 -2.749 1
1 239 . 8 1 1 A 23 23 PRO CB C 23 28.948 32.159 -3.211 1
1 242 . 8 1 1 A 24 24 ASP H H 24 8.191 8.381 -0.190 1
1 243 . 8 1 1 A 24 24 ASP HA H 24 4.649 4.449 0.200 1
1 246 . 8 1 1 A 24 24 ASP C C 24 175.312 175.525 -0.213 1
1 247 . 8 1 1 A 24 24 ASP CA C 24 49.710 54.382 -4.672 1
1 248 . 8 1 1 A 24 24 ASP CB C 24 37.229 41.581 -4.352 1
1 249 . 8 1 1 A 24 24 ASP N N 24 118.307 120.976 -2.669 1
1 250 . 8 1 1 A 25 25 TYR H H 25 8.171 8.747 -0.576 1
1 251 . 8 1 1 A 25 25 TYR HA H 25 4.173 5.113 -0.940 1
1 258 . 8 1 1 A 25 25 TYR C C 25 173.720 176.299 -2.579 1
1 259 . 8 1 1 A 25 25 TYR CA C 25 57.297 57.468 -0.171 1
1 260 . 8 1 1 A 25 25 TYR CB C 25 34.897 38.466 -3.569 1
1 265 . 8 1 1 A 25 25 TYR N N 25 123.576 121.292 2.284 1
1 266 . 8 1 1 A 26 26 THR H H 26 8.278 7.804 0.474 1
1 267 . 8 1 1 A 26 26 THR HA H 26 4.343 4.505 -0.162 1
1 272 . 8 1 1 A 26 26 THR C C 26 173.145 174.430 -1.285 1
1 273 . 8 1 1 A 26 26 THR CA C 26 60.799 63.014 -2.215 1
1 274 . 8 1 1 A 26 26 THR CB C 26 67.379 69.572 -2.193 1
1 276 . 8 1 1 A 26 26 THR N N 26 109.145 112.487 -3.342 1
1 277 . 8 1 1 A 27 27 SER H H 27 7.085 8.056 -0.971 1
1 278 . 8 1 1 A 27 27 SER HA H 27 5.002 4.869 0.133 1
1 281 . 8 1 1 A 27 27 SER C C 27 169.729 172.257 -2.528 1
1 282 . 8 1 1 A 27 27 SER CA C 27 52.526 55.851 -3.325 1
1 283 . 8 1 1 A 27 27 SER CB C 27 61.215 63.325 -2.110 1
1 284 . 8 1 1 A 27 27 SER N N 27 114.134 117.151 -3.017 1
1 285 . 8 1 1 A 28 28 PRO HA H 28 4.553 4.695 -0.142 1
1 292 . 8 1 1 A 28 28 PRO C C 28 174.448 175.658 -1.210 1
1 293 . 8 1 1 A 28 28 PRO CA C 28 60.482 62.345 -1.863 1
1 294 . 8 1 1 A 28 28 PRO CB C 28 29.224 32.882 -3.658 1
1 297 . 8 1 1 A 29 29 VAL H H 29 9.191 8.307 0.884 1
1 298 . 8 1 1 A 29 29 VAL HA H 29 3.946 4.512 -0.566 1
1 306 . 8 1 1 A 29 29 VAL C C 29 172.641 174.332 -1.691 1
1 307 . 8 1 1 A 29 29 VAL CA C 29 60.367 60.711 -0.344 1
1 308 . 8 1 1 A 29 29 VAL CB C 29 30.546 33.723 -3.177 1
1 311 . 8 1 1 A 29 29 VAL N N 29 123.735 121.085 2.650 1
1 312 . 8 1 1 A 30 30 VAL H H 30 8.169 8.740 -0.571 1
1 313 . 8 1 1 A 30 30 VAL HA H 30 4.940 4.310 0.630 1
1 321 . 8 1 1 A 30 30 VAL C C 30 173.560 175.254 -1.694 1
1 322 . 8 1 1 A 30 30 VAL CA C 30 58.568 62.743 -4.175 1
1 323 . 8 1 1 A 30 30 VAL CB C 30 30.303 31.190 -0.887 1
1 326 . 8 1 1 A 30 30 VAL N N 30 125.255 130.378 -5.123 1
1 327 . 8 1 1 A 31 31 LEU H H 31 8.889 8.587 0.302 1
1 328 . 8 1 1 A 31 31 LEU HA H 31 4.816 4.780 0.036 1
1 338 . 8 1 1 A 31 31 LEU C C 31 171.113 174.679 -3.566 1
1 339 . 8 1 1 A 31 31 LEU CA C 31 48.760 51.631 -2.871 1
1 340 . 8 1 1 A 31 31 LEU CB C 31 40.938 43.946 -3.008 1
1 344 . 8 1 1 A 31 31 LEU N N 31 127.017 128.719 -1.702 1
1 345 . 8 1 1 A 32 32 PRO HA H 32 4.531 4.726 -0.195 1
1 352 . 8 1 1 A 32 32 PRO C C 32 174.294 177.579 -3.285 1
1 353 . 8 1 1 A 32 32 PRO CA C 32 59.648 62.813 -3.165 1
1 354 . 8 1 1 A 32 32 PRO CB C 32 29.349 31.718 -2.369 1
1 357 . 8 1 1 A 33 33 TYR H H 33 8.105 8.596 -0.491 1
1 358 . 8 1 1 A 33 33 TYR HA H 33 3.788 4.015 -0.227 1
1 365 . 8 1 1 A 33 33 TYR C C 33 173.470 176.907 -3.437 1
1 366 . 8 1 1 A 33 33 TYR CA C 33 58.159 62.364 -4.205 1
1 367 . 8 1 1 A 33 33 TYR CB C 33 36.244 39.067 -2.823 1
1 372 . 8 1 1 A 33 33 TYR N N 33 120.060 126.419 -6.359 1
1 373 . 8 1 1 A 34 34 SER H H 34 7.868 8.586 -0.718 1
1 374 . 8 1 1 A 34 34 SER HA H 34 3.814 4.411 -0.597 1
1 377 . 8 1 1 A 34 34 SER C C 34 171.946 174.602 -2.656 1
1 378 . 8 1 1 A 34 34 SER CA C 34 58.212 62.233 -4.021 1
1 379 . 8 1 1 A 34 34 SER CB C 34 60.928 63.298 -2.370 1
1 380 . 8 1 1 A 34 34 SER N N 34 116.733 114.712 2.021 1
1 381 . 8 1 1 A 35 35 ARG H H 35 7.883 8.026 -0.143 1
1 382 . 8 1 1 A 35 35 ARG HA H 35 4.575 4.679 -0.104 1
1 389 . 8 1 1 A 35 35 ARG C C 35 172.091 174.517 -2.426 1
1 390 . 8 1 1 A 35 35 ARG CA C 35 52.067 54.803 -2.736 1
1 391 . 8 1 1 A 35 35 ARG CB C 35 28.228 31.500 -3.272 1
1 394 . 8 1 1 A 35 35 ARG N N 35 125.492 120.409 5.083 1
1 395 . 8 1 1 A 36 36 THR H H 36 7.874 8.637 -0.763 1
1 396 . 8 1 1 A 36 36 THR HA H 36 4.613 5.321 -0.708 1
1 401 . 8 1 1 A 36 36 THR C C 36 173.095 173.425 -0.330 1
1 402 . 8 1 1 A 36 36 THR CA C 36 57.029 60.565 -3.536 1
1 403 . 8 1 1 A 36 36 THR CB C 36 66.113 70.790 -4.677 1
1 405 . 8 1 1 A 36 36 THR N N 36 107.510 114.896 -7.386 1
1 406 . 8 1 1 A 37 37 THR H H 37 8.804 8.404 0.400 1
1 407 . 8 1 1 A 37 37 THR HA H 37 5.288 4.750 0.538 1
1 412 . 8 1 1 A 37 37 THR C C 37 174.234 174.518 -0.284 1
1 413 . 8 1 1 A 37 37 THR CA C 37 59.681 60.315 -0.634 1
1 414 . 8 1 1 A 37 37 THR CB C 37 70.032 70.708 -0.676 1
1 416 . 8 1 1 A 37 37 THR N N 37 112.714 117.201 -4.487 1
1 417 . 8 1 1 A 38 38 VAL H H 38 8.269 8.809 -0.540 1
1 418 . 8 1 1 A 38 38 VAL HA H 38 3.485 3.617 -0.132 1
1 426 . 8 1 1 A 38 38 VAL C C 38 175.909 177.436 -1.527 1
1 427 . 8 1 1 A 38 38 VAL CA C 38 64.496 66.603 -2.107 1
1 428 . 8 1 1 A 38 38 VAL CB C 38 29.015 31.310 -2.295 1
1 431 . 8 1 1 A 38 38 VAL N N 38 121.372 122.377 -1.005 1
1 432 . 8 1 1 A 39 39 GLU H H 39 8.597 8.165 0.432 1
1 433 . 8 1 1 A 39 39 GLU HA H 39 3.495 3.971 -0.476 1
1 438 . 8 1 1 A 39 39 GLU C C 39 174.769 178.576 -3.807 1
1 439 . 8 1 1 A 39 39 GLU CA C 39 58.418 58.672 -0.254 1
1 440 . 8 1 1 A 39 39 GLU CB C 39 27.358 28.296 -0.938 1
1 442 . 8 1 1 A 39 39 GLU N N 39 121.954 119.188 2.766 1
1 443 . 8 1 1 A 40 40 ASP H H 40 7.493 8.187 -0.694 1
1 444 . 8 1 1 A 40 40 ASP HA H 40 4.071 4.386 -0.315 1
1 447 . 8 1 1 A 40 40 ASP C C 40 176.738 178.506 -1.768 1
1 448 . 8 1 1 A 40 40 ASP CA C 40 55.877 56.909 -1.032 1
1 449 . 8 1 1 A 40 40 ASP CB C 40 38.721 40.591 -1.870 1
1 450 . 8 1 1 A 40 40 ASP N N 40 119.054 121.142 -2.088 1
1 451 . 8 1 1 A 41 41 PHE H H 41 8.429 7.953 0.476 1
1 452 . 8 1 1 A 41 41 PHE HA H 41 3.750 4.086 -0.336 1
1 460 . 8 1 1 A 41 41 PHE C C 41 173.786 177.254 -3.468 1
1 461 . 8 1 1 A 41 41 PHE CA C 41 59.851 60.926 -1.075 1
1 462 . 8 1 1 A 41 41 PHE CB C 41 36.135 39.292 -3.157 1
1 468 . 8 1 1 A 41 41 PHE N N 41 121.017 119.956 1.061 1
1 469 . 8 1 1 A 42 42 CYS H H 42 8.527 8.218 0.309 1
1 470 . 8 1 1 A 42 42 CYS HA H 42 3.752 4.316 -0.564 1
1 473 . 8 1 1 A 42 42 CYS C C 42 174.065 177.138 -3.073 1
1 474 . 8 1 1 A 42 42 CYS CA C 42 62.453 62.036 0.417 1
1 475 . 8 1 1 A 42 42 CYS CB C 42 24.429 27.425 -2.996 1
1 476 . 8 1 1 A 42 42 CYS N N 42 116.390 117.466 -1.076 1
1 477 . 8 1 1 A 43 43 MET H H 43 7.739 7.918 -0.179 1
1 478 . 8 1 1 A 43 43 MET HA H 43 3.885 4.103 -0.218 1
1 486 . 8 1 1 A 43 43 MET C C 43 175.345 178.637 -3.292 1
1 487 . 8 1 1 A 43 43 MET CA C 43 54.460 58.421 -3.961 1
1 488 . 8 1 1 A 43 43 MET CB C 43 28.872 32.507 -3.635 1
1 491 . 8 1 1 A 43 43 MET N N 43 114.377 119.317 -4.940 1
1 492 . 8 1 1 A 44 44 LYS H H 44 7.257 7.701 -0.444 1
1 493 . 8 1 1 A 44 44 LYS HA H 44 3.896 3.919 -0.023 1
1 502 . 8 1 1 A 44 44 LYS C C 44 175.198 178.631 -3.433 1
1 503 . 8 1 1 A 44 44 LYS CA C 44 54.181 58.911 -4.730 1
1 504 . 8 1 1 A 44 44 LYS CB C 44 29.291 32.499 -3.208 1
1 508 . 8 1 1 A 44 44 LYS N N 44 117.480 118.364 -0.884 1
1 509 . 8 1 1 A 45 45 ILE H H 45 7.146 6.911 0.235 1
1 510 . 8 1 1 A 45 45 ILE HA H 45 3.697 3.925 -0.228 1
1 520 . 8 1 1 A 45 45 ILE C C 45 174.894 176.124 -1.230 1
1 521 . 8 1 1 A 45 45 ILE CA C 45 59.954 63.660 -3.706 1
1 522 . 8 1 1 A 45 45 ILE CB C 45 33.943 38.517 -4.574 1
1 526 . 8 1 1 A 45 45 ILE N N 45 119.267 117.411 1.856 1
1 527 . 8 1 1 A 46 46 HIS H H 46 7.982 8.042 -0.060 1
1 528 . 8 1 1 A 46 46 HIS HA H 46 4.200 4.844 -0.644 1
1 533 . 8 1 1 A 46 46 HIS C C 46 173.349 175.617 -2.268 1
1 534 . 8 1 1 A 46 46 HIS CA C 46 56.363 55.654 0.709 1
1 535 . 8 1 1 A 46 46 HIS CB C 46 30.998 32.885 -1.887 1
1 538 . 8 1 1 A 46 46 HIS N N 46 116.498 117.139 -0.641 1
1 539 . 8 1 1 A 47 47 LYS H H 47 8.478 8.465 0.013 1
1 540 . 8 1 1 A 47 47 LYS HA H 47 4.091 3.932 0.159 1
1 545 . 8 1 1 A 47 47 LYS C C 47 174.519 176.613 -2.094 1
1 546 . 8 1 1 A 47 47 LYS CA C 47 57.279 58.447 -1.168 1
1 547 . 8 1 1 A 47 47 LYS CB C 47 29.709 32.034 -2.325 1
1 551 . 8 1 1 A 47 47 LYS N N 47 127.686 122.893 4.793 1
1 552 . 8 1 1 A 48 48 ASN H H 48 10.623 7.626 2.997 1
1 553 . 8 1 1 A 48 48 ASN HA H 48 4.839 5.198 -0.359 1
1 558 . 8 1 1 A 48 48 ASN C C 48 175.138 176.008 -0.870 1
1 559 . 8 1 1 A 48 48 ASN CA C 48 50.960 52.769 -1.809 1
1 560 . 8 1 1 A 48 48 ASN CB C 48 36.975 39.313 -2.338 1
1 561 . 8 1 1 A 48 48 ASN N N 48 118.711 117.746 0.965 1
1 563 . 8 1 1 A 49 49 LEU H H 49 7.796 7.457 0.339 1
1 564 . 8 1 1 A 49 49 LEU HA H 49 4.103 4.325 -0.222 1
1 574 . 8 1 1 A 49 49 LEU C C 49 176.976 178.175 -1.199 1
1 575 . 8 1 1 A 49 49 LEU CA C 49 56.381 57.209 -0.828 1
1 576 . 8 1 1 A 49 49 LEU CB C 49 39.064 42.703 -3.639 1
1 580 . 8 1 1 A 49 49 LEU N N 49 124.676 120.960 3.716 1
1 581 . 8 1 1 A 50 50 ILE H H 50 9.052 8.050 1.002 1
1 582 . 8 1 1 A 50 50 ILE HA H 50 4.060 3.823 0.237 1
1 592 . 8 1 1 A 50 50 ILE C C 50 173.983 177.686 -3.703 1
1 593 . 8 1 1 A 50 50 ILE CA C 50 57.842 64.059 -6.217 1
1 594 . 8 1 1 A 50 50 ILE CB C 50 35.943 37.855 -1.912 1
1 598 . 8 1 1 A 50 50 ILE N N 50 116.565 119.375 -2.810 1
1 599 . 8 1 1 A 51 51 LYS H H 51 7.275 8.087 -0.812 1
1 600 . 8 1 1 A 51 51 LYS HA H 51 4.143 4.008 0.135 1
1 609 . 8 1 1 A 51 51 LYS C C 51 175.668 178.633 -2.965 1
1 610 . 8 1 1 A 51 51 LYS CA C 51 55.696 60.292 -4.596 1
1 611 . 8 1 1 A 51 51 LYS CB C 51 29.767 31.981 -2.214 1
1 615 . 8 1 1 A 51 51 LYS N N 51 119.864 122.680 -2.816 1
1 616 . 8 1 1 A 52 52 GLU H H 52 7.590 8.078 -0.488 1
1 617 . 8 1 1 A 52 52 GLU HA H 52 4.319 4.366 -0.047 1
1 622 . 8 1 1 A 52 52 GLU C C 52 173.088 176.629 -3.541 1
1 623 . 8 1 1 A 52 52 GLU CA C 52 53.301 57.012 -3.711 1
1 624 . 8 1 1 A 52 52 GLU CB C 52 28.778 30.311 -1.533 1
1 626 . 8 1 1 A 52 52 GLU N N 52 116.453 116.459 -0.006 1
1 627 . 8 1 1 A 53 53 PHE H H 53 7.423 7.789 -0.366 1
1 628 . 8 1 1 A 53 53 PHE HA H 53 3.608 4.619 -1.011 1
1 636 . 8 1 1 A 53 53 PHE C C 53 170.946 175.406 -4.460 1
1 637 . 8 1 1 A 53 53 PHE CA C 53 57.983 59.037 -1.054 1
1 638 . 8 1 1 A 53 53 PHE CB C 53 38.913 39.901 -0.988 1
1 644 . 8 1 1 A 53 53 PHE N N 53 120.950 123.043 -2.093 1
1 645 . 8 1 1 A 54 54 LYS H H 54 8.385 8.793 -0.408 1
1 646 . 8 1 1 A 54 54 LYS HA H 54 4.268 4.229 0.039 1
1 655 . 8 1 1 A 54 54 LYS C C 54 173.038 175.341 -2.303 1
1 656 . 8 1 1 A 54 54 LYS CA C 54 55.263 57.185 -1.922 1
1 657 . 8 1 1 A 54 54 LYS CB C 54 32.730 33.958 -1.228 1
1 661 . 8 1 1 A 54 54 LYS N N 54 128.686 127.099 1.587 1
1 662 . 8 1 1 A 55 55 TYR H H 55 7.083 6.783 0.300 1
1 663 . 8 1 1 A 55 55 TYR HA H 55 4.120 4.551 -0.431 1
1 670 . 8 1 1 A 55 55 TYR C C 55 168.503 172.859 -4.356 1
1 671 . 8 1 1 A 55 55 TYR CA C 55 55.198 56.068 -0.870 1
1 672 . 8 1 1 A 55 55 TYR CB C 55 35.633 39.664 -4.031 1
1 677 . 8 1 1 A 55 55 TYR N N 55 110.963 112.979 -2.016 1
1 678 . 8 1 1 A 56 56 ALA H H 56 8.836 8.849 -0.013 1
1 679 . 8 1 1 A 56 56 ALA HA H 56 5.293 5.345 -0.052 1
1 683 . 8 1 1 A 56 56 ALA C C 56 172.993 175.991 -2.998 1
1 684 . 8 1 1 A 56 56 ALA CA C 56 47.088 50.373 -3.285 1
1 685 . 8 1 1 A 56 56 ALA CB C 56 20.287 22.792 -2.505 1
1 686 . 8 1 1 A 56 56 ALA N N 56 118.379 122.323 -3.944 1
1 687 . 8 1 1 A 57 57 LEU H H 57 8.880 8.807 0.073 1
1 688 . 8 1 1 A 57 57 LEU HA H 57 4.854 4.669 0.185 1
1 698 . 8 1 1 A 57 57 LEU C C 57 172.904 175.301 -2.397 1
1 699 . 8 1 1 A 57 57 LEU CA C 57 50.872 53.291 -2.419 1
1 700 . 8 1 1 A 57 57 LEU CB C 57 42.160 41.396 0.764 1
1 704 . 8 1 1 A 57 57 LEU N N 57 121.382 122.198 -0.816 1
1 705 . 8 1 1 A 58 58 VAL H H 58 8.123 8.339 -0.216 1
1 706 . 8 1 1 A 58 58 VAL HA H 58 5.243 4.312 0.931 1
1 714 . 8 1 1 A 58 58 VAL C C 58 171.929 175.015 -3.086 1
1 715 . 8 1 1 A 58 58 VAL CA C 58 57.683 62.204 -4.521 1
1 716 . 8 1 1 A 58 58 VAL CB C 58 33.036 32.123 0.913 1
1 719 . 8 1 1 A 58 58 VAL N N 58 120.400 124.610 -4.210 1
1 720 . 8 1 1 A 59 59 TRP H H 59 9.316 8.794 0.522 1
1 721 . 8 1 1 A 59 59 TRP HA H 59 4.843 5.275 -0.432 1
1 730 . 8 1 1 A 59 59 TRP C C 59 173.582 176.404 -2.822 1
1 731 . 8 1 1 A 59 59 TRP CA C 59 54.736 54.967 -0.231 1
1 732 . 8 1 1 A 59 59 TRP CB C 59 30.514 30.681 -0.167 1
1 738 . 8 1 1 A 59 59 TRP N N 59 127.196 128.633 -1.437 1
1 740 . 8 1 1 A 60 60 GLY H H 60 8.531 8.371 0.160 1
1 741 . 8 1 1 A 60 60 GLY HA2 H 60 4.934 4.276 0.658 1
1 742 . 8 1 1 A 60 60 GLY HA3 H 60 4.123 4.278 -0.155 1
1 743 . 8 1 1 A 60 60 GLY C C 60 171.378 174.054 -2.676 1
1 744 . 8 1 1 A 60 60 GLY CA C 60 42.587 46.223 -3.636 1
1 745 . 8 1 1 A 60 60 GLY N N 60 110.481 110.690 -0.209 1
1 746 . 8 1 1 A 61 61 LEU H H 61 8.188 9.055 -0.867 1
1 747 . 8 1 1 A 61 61 LEU HA H 61 4.141 4.105 0.036 1
1 757 . 8 1 1 A 61 61 LEU C C 61 176.897 178.642 -1.745 1
1 758 . 8 1 1 A 61 61 LEU CA C 61 54.357 57.571 -3.214 1
1 759 . 8 1 1 A 61 61 LEU CB C 61 39.942 41.874 -1.932 1
1 763 . 8 1 1 A 61 61 LEU N N 61 118.667 124.267 -5.600 1
1 764 . 8 1 1 A 62 62 SER H H 62 8.123 8.191 -0.068 1
1 765 . 8 1 1 A 62 62 SER HA H 62 4.284 4.231 0.053 1
1 768 . 8 1 1 A 62 62 SER C C 62 171.932 174.776 -2.844 1
1 769 . 8 1 1 A 62 62 SER CA C 62 57.279 62.626 -5.347 1
1 770 . 8 1 1 A 62 62 SER CB C 62 60.354 63.016 -2.662 1
1 771 . 8 1 1 A 62 62 SER N N 62 110.946 114.280 -3.334 1
1 772 . 8 1 1 A 63 63 VAL H H 63 7.174 7.790 -0.616 1
1 773 . 8 1 1 A 63 63 VAL HA H 63 4.503 4.483 0.020 1
1 781 . 8 1 1 A 63 63 VAL C C 63 173.221 176.043 -2.822 1
1 782 . 8 1 1 A 63 63 VAL CA C 63 57.573 59.828 -2.255 1
1 783 . 8 1 1 A 63 63 VAL CB C 63 31.826 33.727 -1.901 1
1 786 . 8 1 1 A 63 63 VAL N N 63 114.625 117.513 -2.888 1
1 787 . 8 1 1 A 64 64 LYS H H 64 8.112 8.655 -0.543 1
1 788 . 8 1 1 A 64 64 LYS HA H 64 4.105 4.214 -0.109 1
1 796 . 8 1 1 A 64 64 LYS C C 64 174.259 176.853 -2.594 1
1 797 . 8 1 1 A 64 64 LYS CA C 64 54.586 58.158 -3.572 1
1 798 . 8 1 1 A 64 64 LYS CB C 64 30.837 33.091 -2.254 1
1 802 . 8 1 1 A 64 64 LYS N N 64 119.722 124.550 -4.828 1
1 803 . 8 1 1 A 65 65 HIS H H 65 7.496 7.796 -0.300 1
1 804 . 8 1 1 A 65 65 HIS HA H 65 4.497 5.152 -0.655 1
1 809 . 8 1 1 A 65 65 HIS C C 65 170.028 174.387 -4.359 1
1 810 . 8 1 1 A 65 65 HIS CA C 65 52.491 54.696 -2.205 1
1 811 . 8 1 1 A 65 65 HIS CB C 65 29.149 31.898 -2.749 1
1 814 . 8 1 1 A 65 65 HIS N N 65 117.336 115.268 2.068 1
1 815 . 8 1 1 A 66 66 ASN H H 66 8.135 9.176 -1.041 1
1 816 . 8 1 1 A 66 66 ASN HA H 66 4.986 5.164 -0.178 1
1 821 . 8 1 1 A 66 66 ASN C C 66 171.088 173.355 -2.267 1
1 822 . 8 1 1 A 66 66 ASN CA C 66 47.732 50.598 -2.866 1
1 823 . 8 1 1 A 66 66 ASN CB C 66 39.365 39.829 -0.464 1
1 824 . 8 1 1 A 66 66 ASN N N 66 118.616 121.646 -3.030 1
1 826 . 8 1 1 A 67 67 PRO HA H 67 4.408 4.240 0.168 1
1 833 . 8 1 1 A 67 67 PRO C C 67 173.325 175.309 -1.984 1
1 834 . 8 1 1 A 67 67 PRO CA C 67 60.535 62.646 -2.111 1
1 835 . 8 1 1 A 67 67 PRO CB C 67 31.065 32.541 -1.476 1
1 838 . 8 1 1 A 68 68 GLN H H 68 8.323 8.247 0.076 1
1 839 . 8 1 1 A 68 68 GLN HA H 68 4.295 4.585 -0.290 1
1 846 . 8 1 1 A 68 68 GLN C C 68 172.005 174.697 -2.692 1
1 847 . 8 1 1 A 68 68 GLN CA C 68 51.805 54.713 -2.908 1
1 848 . 8 1 1 A 68 68 GLN CB C 68 30.014 31.681 -1.667 1
1 850 . 8 1 1 A 68 68 GLN N N 68 118.089 120.927 -2.838 1
1 852 . 8 1 1 A 69 69 LYS H H 69 8.268 8.562 -0.294 1
1 853 . 8 1 1 A 69 69 LYS HA H 69 4.907 4.533 0.374 1
1 862 . 8 1 1 A 69 69 LYS C C 69 174.226 176.210 -1.984 1
1 863 . 8 1 1 A 69 69 LYS CA C 69 53.598 56.489 -2.891 1
1 864 . 8 1 1 A 69 69 LYS CB C 69 30.096 32.801 -2.705 1
1 868 . 8 1 1 A 69 69 LYS N N 69 125.766 128.207 -2.441 1
1 869 . 8 1 1 A 70 70 VAL H H 70 9.409 8.789 0.620 1
1 870 . 8 1 1 A 70 70 VAL HA H 70 4.723 4.998 -0.275 1
1 878 . 8 1 1 A 70 70 VAL C C 70 172.498 176.168 -3.670 1
1 879 . 8 1 1 A 70 70 VAL CA C 70 56.680 60.034 -3.354 1
1 880 . 8 1 1 A 70 70 VAL CB C 70 33.332 34.059 -0.727 1
1 883 . 8 1 1 A 70 70 VAL N N 70 120.660 121.997 -1.337 1
1 884 . 8 1 1 A 71 71 GLY H H 71 8.445 8.415 0.030 1
1 885 . 8 1 1 A 71 71 GLY HA2 H 71 4.961 4.271 0.690 1
1 886 . 8 1 1 A 71 71 GLY HA3 H 71 3.898 4.359 -0.461 1
1 887 . 8 1 1 A 71 71 GLY C C 71 172.669 174.907 -2.238 1
1 888 . 8 1 1 A 71 71 GLY CA C 71 40.896 44.708 -3.812 1
1 889 . 8 1 1 A 71 71 GLY N N 71 106.755 109.755 -3.000 1
1 890 . 8 1 1 A 72 72 LYS H H 72 8.573 8.681 -0.108 1
1 891 . 8 1 1 A 72 72 LYS HA H 72 3.454 4.329 -0.875 1
1 900 . 8 1 1 A 72 72 LYS C C 72 172.853 178.578 -5.725 1
1 901 . 8 1 1 A 72 72 LYS CA C 72 56.108 57.499 -1.391 1
1 902 . 8 1 1 A 72 72 LYS CB C 72 29.993 33.547 -3.554 1
1 906 . 8 1 1 A 72 72 LYS N N 72 114.685 118.965 -4.280 1
1 907 . 8 1 1 A 73 73 ASP H H 73 8.517 7.864 0.653 1
1 908 . 8 1 1 A 73 73 ASP HA H 73 4.543 4.603 -0.060 1
1 911 . 8 1 1 A 73 73 ASP C C 73 173.041 176.603 -3.562 1
1 912 . 8 1 1 A 73 73 ASP CA C 73 51.118 56.115 -4.997 1
1 913 . 8 1 1 A 73 73 ASP CB C 73 38.311 41.410 -3.099 1
1 914 . 8 1 1 A 73 73 ASP N N 73 115.449 119.659 -4.210 1
1 915 . 8 1 1 A 74 74 HIS H H 74 7.173 7.641 -0.468 1
1 916 . 8 1 1 A 74 74 HIS HA H 74 4.084 4.301 -0.217 1
1 921 . 8 1 1 A 74 74 HIS C C 74 172.466 175.023 -2.557 1
1 922 . 8 1 1 A 74 74 HIS CA C 74 55.483 57.852 -2.369 1
1 923 . 8 1 1 A 74 74 HIS CB C 74 29.868 30.621 -0.753 1
1 926 . 8 1 1 A 74 74 HIS N N 74 120.387 119.772 0.615 1
1 927 . 8 1 1 A 75 75 THR H H 75 7.573 8.114 -0.541 1
1 928 . 8 1 1 A 75 75 THR HA H 75 3.562 4.381 -0.819 1
1 933 . 8 1 1 A 75 75 THR C C 75 170.555 173.826 -3.271 1
1 934 . 8 1 1 A 75 75 THR CA C 75 61.656 62.447 -0.791 1
1 935 . 8 1 1 A 75 75 THR CB C 75 66.449 69.557 -3.108 1
1 937 . 8 1 1 A 75 75 THR N N 75 123.519 120.160 3.359 1
1 938 . 8 1 1 A 76 76 LEU H H 76 8.300 8.774 -0.474 1
1 939 . 8 1 1 A 76 76 LEU HA H 76 4.187 4.850 -0.663 1
1 949 . 8 1 1 A 76 76 LEU C C 76 174.153 176.639 -2.486 1
1 950 . 8 1 1 A 76 76 LEU CA C 76 52.201 53.529 -1.328 1
1 951 . 8 1 1 A 76 76 LEU CB C 76 40.188 43.977 -3.789 1
1 955 . 8 1 1 A 76 76 LEU N N 76 127.705 127.489 0.216 1
1 956 . 8 1 1 A 77 77 GLU H H 77 9.006 8.747 0.259 1
1 957 . 8 1 1 A 77 77 GLU HA H 77 4.295 4.579 -0.284 1
1 962 . 8 1 1 A 77 77 GLU C C 77 172.035 176.068 -4.033 1
1 963 . 8 1 1 A 77 77 GLU CA C 77 51.734 54.920 -3.186 1
1 964 . 8 1 1 A 77 77 GLU CB C 77 30.671 30.945 -0.274 1
1 966 . 8 1 1 A 77 77 GLU N N 77 120.330 122.162 -1.832 1
1 967 . 8 1 1 A 78 78 ASP H H 78 8.375 8.671 -0.296 1
1 968 . 8 1 1 A 78 78 ASP HA H 78 4.289 4.491 -0.202 1
1 971 . 8 1 1 A 78 78 ASP C C 78 174.522 175.912 -1.390 1
1 972 . 8 1 1 A 78 78 ASP CA C 78 54.779 54.148 0.631 1
1 973 . 8 1 1 A 78 78 ASP CB C 78 39.200 41.279 -2.079 1
1 974 . 8 1 1 A 78 78 ASP N N 78 116.751 119.852 -3.101 1
1 975 . 8 1 1 A 79 79 GLU H H 79 9.867 8.978 0.889 1
1 976 . 8 1 1 A 79 79 GLU HA H 79 3.685 3.953 -0.268 1
1 981 . 8 1 1 A 79 79 GLU C C 79 172.755 174.690 -1.935 1
1 982 . 8 1 1 A 79 79 GLU CA C 79 57.384 57.458 -0.074 1
1 983 . 8 1 1 A 79 79 GLU CB C 79 24.429 28.214 -3.785 1
1 985 . 8 1 1 A 79 79 GLU N N 79 119.409 116.716 2.693 1
1 986 . 8 1 1 A 80 80 ASP H H 80 8.212 7.471 0.741 1
1 987 . 8 1 1 A 80 80 ASP HA H 80 4.833 5.336 -0.503 1
1 990 . 8 1 1 A 80 80 ASP C C 80 171.935 174.658 -2.723 1
1 991 . 8 1 1 A 80 80 ASP CA C 80 53.900 52.849 1.051 1
1 992 . 8 1 1 A 80 80 ASP CB C 80 39.633 44.473 -4.840 1
1 993 . 8 1 1 A 80 80 ASP N N 80 121.227 118.695 2.532 1
1 994 . 8 1 1 A 81 81 VAL H H 81 8.638 8.833 -0.195 1
1 995 . 8 1 1 A 81 81 VAL HA H 81 5.055 5.334 -0.279 1
1 1003 . 8 1 1 A 81 81 VAL C C 81 172.826 174.745 -1.919 1
1 1004 . 8 1 1 A 81 81 VAL CA C 81 57.723 61.641 -3.918 1
1 1005 . 8 1 1 A 81 81 VAL CB C 81 31.767 33.856 -2.089 1
1 1008 . 8 1 1 A 81 81 VAL N N 81 118.946 124.157 -5.211 1
1 1009 . 8 1 1 A 82 82 ILE H H 82 9.007 8.630 0.377 1
1 1010 . 8 1 1 A 82 82 ILE HA H 82 5.789 5.039 0.750 1
1 1020 . 8 1 1 A 82 82 ILE C C 82 170.143 173.470 -3.327 1
1 1021 . 8 1 1 A 82 82 ILE CA C 82 55.824 59.057 -3.233 1
1 1022 . 8 1 1 A 82 82 ILE CB C 82 41.574 41.572 0.002 1
1 1026 . 8 1 1 A 82 82 ILE N N 82 124.391 129.372 -4.981 1
1 1027 . 8 1 1 A 83 83 GLN H H 83 9.415 8.913 0.502 1
1 1028 . 8 1 1 A 83 83 GLN HA H 83 4.815 4.837 -0.022 1
1 1035 . 8 1 1 A 83 83 GLN C C 83 172.719 174.581 -1.862 1
1 1036 . 8 1 1 A 83 83 GLN CA C 83 52.016 54.767 -2.751 1
1 1037 . 8 1 1 A 83 83 GLN CB C 83 32.094 30.094 2.000 1
1 1039 . 8 1 1 A 83 83 GLN N N 83 127.774 130.101 -2.327 1
1 1041 . 8 1 1 A 84 84 ILE H H 84 8.878 8.627 0.251 1
1 1042 . 8 1 1 A 84 84 ILE HA H 84 4.074 4.316 -0.242 1
1 1052 . 8 1 1 A 84 84 ILE C C 84 173.096 175.311 -2.215 1
1 1053 . 8 1 1 A 84 84 ILE CA C 84 57.372 62.041 -4.669 1
1 1054 . 8 1 1 A 84 84 ILE CB C 84 34.771 37.409 -2.638 1
1 1058 . 8 1 1 A 84 84 ILE N N 84 126.673 126.738 -0.065 1
1 1059 . 8 1 1 A 85 85 VAL H H 85 8.562 8.562 0.000 1
1 1060 . 8 1 1 A 85 85 VAL HA H 85 3.914 4.350 -0.436 1
1 1068 . 8 1 1 A 85 85 VAL C C 85 172.438 174.847 -2.409 1
1 1069 . 8 1 1 A 85 85 VAL CA C 85 60.112 60.739 -0.627 1
1 1070 . 8 1 1 A 85 85 VAL CB C 85 28.964 33.179 -4.215 1
1 1073 . 8 1 1 A 85 85 VAL N N 85 130.400 128.583 1.817 1
1 1074 . 8 1 1 A 86 86 LYS H H 86 8.399 8.498 -0.099 1
1 1075 . 8 1 1 A 86 86 LYS HA H 86 4.640 4.929 -0.289 1
1 1084 . 8 1 1 A 86 86 LYS C C 86 174.388 176.972 -2.584 1
1 1085 . 8 1 1 A 86 86 LYS CA C 86 53.301 54.109 -0.808 1
1 1086 . 8 1 1 A 86 86 LYS CB C 86 32.587 34.341 -1.754 1
1 1090 . 8 1 1 A 86 86 LYS N N 86 126.582 126.971 -0.389 1
1 1091 . 8 1 1 A 87 87 LYS H H 87 8.485 8.673 -0.188 1
1 1092 . 8 1 1 A 87 87 LYS HA H 87 3.923 3.907 0.016 1
1 1101 . 8 1 1 A 87 87 LYS C C 87 174.196 177.497 -3.301 1
1 1102 . 8 1 1 A 87 87 LYS CA C 87 55.171 57.680 -2.509 1
1 1103 . 8 1 1 A 87 87 LYS CB C 87 31.274 32.621 -1.347 1
1 1107 . 8 1 1 A 87 87 LYS N N 87 119.203 122.080 -2.877 1
1 1108 . 8 1 1 A 89 89 GLY HA2 H 89 4.034 4.097 -0.063 1
1 1109 . 8 1 1 A 89 89 GLY HA3 H 89 4.034 4.104 -0.070 1
1 1110 . 8 1 1 A 89 89 GLY CA C 89 42.366 44.855 -2.489 1
1 1111 . 8 1 1 A 90 90 PRO HA H 90 4.369 4.613 -0.244 1
1 1118 . 8 1 1 A 90 90 PRO CA C 90 61.070 62.594 -1.524 1
1 1119 . 8 1 1 A 90 90 PRO CB C 90 29.818 32.382 -2.564 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.759 3.905 -0.146 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.759 3.912 -0.153 1
1 3 . 9 1 1 A 7 7 GLY C C 7 171.455 174.512 -3.057 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 42.980 47.286 -4.306 1
1 5 . 9 1 1 A 8 8 TYR H H 8 7.813 8.074 -0.261 1
1 6 . 9 1 1 A 8 8 TYR HA H 8 4.391 4.408 -0.017 1
1 13 . 9 1 1 A 8 8 TYR C C 8 173.043 175.783 -2.740 1
1 14 . 9 1 1 A 8 8 TYR CA C 8 55.501 59.339 -3.838 1
1 15 . 9 1 1 A 8 8 TYR CB C 8 36.317 38.915 -2.598 1
1 20 . 9 1 1 A 8 8 TYR N N 8 119.411 120.225 -0.814 1
1 21 . 9 1 1 A 9 9 LEU H H 9 7.861 7.340 0.521 1
1 22 . 9 1 1 A 9 9 LEU HA H 9 4.118 4.308 -0.190 1
1 32 . 9 1 1 A 9 9 LEU C C 9 173.714 176.025 -2.311 1
1 33 . 9 1 1 A 9 9 LEU CA C 9 52.544 54.149 -1.605 1
1 34 . 9 1 1 A 9 9 LEU CB C 9 40.106 40.574 -0.468 1
1 38 . 9 1 1 A 9 9 LEU N N 9 123.594 121.953 1.641 1
1 39 . 9 1 1 A 10 10 LYS H H 10 7.976 8.029 -0.053 1
1 40 . 9 1 1 A 10 10 LYS HA H 10 4.108 4.132 -0.024 1
1 49 . 9 1 1 A 10 10 LYS C C 10 172.845 175.647 -2.802 1
1 50 . 9 1 1 A 10 10 LYS CA C 10 54.150 56.594 -2.444 1
1 51 . 9 1 1 A 10 10 LYS CB C 10 30.736 32.811 -2.075 1
1 55 . 9 1 1 A 10 10 LYS N N 10 122.047 126.067 -4.020 1
1 56 . 9 1 1 A 11 11 LEU H H 11 8.102 8.378 -0.276 1
1 57 . 9 1 1 A 11 11 LEU HA H 11 4.711 5.040 -0.329 1
1 67 . 9 1 1 A 11 11 LEU C C 11 173.849 176.036 -2.187 1
1 68 . 9 1 1 A 11 11 LEU CA C 11 51.523 53.662 -2.139 1
1 69 . 9 1 1 A 11 11 LEU CB C 11 41.767 44.697 -2.930 1
1 73 . 9 1 1 A 11 11 LEU N N 11 123.872 125.627 -1.755 1
1 74 . 9 1 1 A 12 12 VAL H H 12 8.956 8.971 -0.015 1
1 75 . 9 1 1 A 12 12 VAL HA H 12 4.044 4.675 -0.631 1
1 83 . 9 1 1 A 12 12 VAL C C 12 171.356 175.121 -3.765 1
1 84 . 9 1 1 A 12 12 VAL CA C 12 59.549 61.315 -1.766 1
1 85 . 9 1 1 A 12 12 VAL CB C 12 31.500 33.856 -2.356 1
1 88 . 9 1 1 A 12 12 VAL N N 12 122.036 124.147 -2.111 1
1 89 . 9 1 1 A 13 13 ARG H H 13 9.211 8.446 0.765 1
1 90 . 9 1 1 A 13 13 ARG HA H 13 4.434 4.652 -0.218 1
1 98 . 9 1 1 A 13 13 ARG C C 13 171.964 175.454 -3.490 1
1 99 . 9 1 1 A 13 13 ARG CA C 13 52.791 55.973 -3.182 1
1 100 . 9 1 1 A 13 13 ARG CB C 13 29.067 30.774 -1.707 1
1 103 . 9 1 1 A 13 13 ARG N N 13 125.178 126.559 -1.381 1
1 105 . 9 1 1 A 14 14 ILE H H 14 8.811 8.584 0.227 1
1 106 . 9 1 1 A 14 14 ILE HA H 14 4.592 4.844 -0.252 1
1 116 . 9 1 1 A 14 14 ILE C C 14 173.197 174.190 -0.993 1
1 117 . 9 1 1 A 14 14 ILE CA C 14 55.308 60.103 -4.795 1
1 118 . 9 1 1 A 14 14 ILE CB C 14 36.411 40.978 -4.567 1
1 122 . 9 1 1 A 14 14 ILE N N 14 122.061 123.359 -1.298 1
1 123 . 9 1 1 A 15 15 TYR H H 15 8.781 8.914 -0.133 1
1 124 . 9 1 1 A 15 15 TYR HA H 15 5.103 4.806 0.297 1
1 131 . 9 1 1 A 15 15 TYR C C 15 172.764 175.536 -2.772 1
1 132 . 9 1 1 A 15 15 TYR CA C 15 53.740 56.860 -3.120 1
1 133 . 9 1 1 A 15 15 TYR CB C 15 37.340 37.267 0.073 1
1 138 . 9 1 1 A 15 15 TYR N N 15 125.241 126.618 -1.377 1
1 139 . 9 1 1 A 16 16 THR H H 16 8.961 8.844 0.117 1
1 140 . 9 1 1 A 16 16 THR HA H 16 4.806 4.396 0.410 1
1 145 . 9 1 1 A 16 16 THR C C 16 171.478 173.415 -1.937 1
1 146 . 9 1 1 A 16 16 THR CA C 16 59.180 63.071 -3.891 1
1 147 . 9 1 1 A 16 16 THR CB C 16 68.174 69.758 -1.584 1
1 149 . 9 1 1 A 16 16 THR N N 16 116.007 121.478 -5.471 1
1 150 . 9 1 1 A 17 17 LYS H H 17 8.397 8.584 -0.187 1
1 151 . 9 1 1 A 17 17 LYS HA H 17 4.446 4.983 -0.537 1
1 160 . 9 1 1 A 17 17 LYS C C 17 170.870 174.395 -3.525 1
1 161 . 9 1 1 A 17 17 LYS CA C 17 50.238 52.998 -2.760 1
1 162 . 9 1 1 A 17 17 LYS CB C 17 32.677 34.244 -1.567 1
1 166 . 9 1 1 A 17 17 LYS N N 17 125.122 127.783 -2.661 1
1 167 . 9 1 1 A 18 18 PRO HA H 18 4.474 4.589 -0.115 1
1 174 . 9 1 1 A 18 18 PRO C C 18 174.170 177.282 -3.112 1
1 175 . 9 1 1 A 18 18 PRO CA C 18 59.250 62.719 -3.469 1
1 176 . 9 1 1 A 18 18 PRO CB C 18 29.517 31.944 -2.427 1
1 179 . 9 1 1 A 19 19 LYS H H 19 8.467 8.392 0.075 1
1 180 . 9 1 1 A 19 19 LYS HA H 19 3.887 4.138 -0.251 1
1 187 . 9 1 1 A 19 19 LYS C C 19 175.944 176.864 -0.920 1
1 188 . 9 1 1 A 19 19 LYS CA C 19 55.732 56.718 -0.986 1
1 189 . 9 1 1 A 19 19 LYS CB C 19 29.818 32.257 -2.439 1
1 193 . 9 1 1 A 19 19 LYS N N 19 121.921 119.930 1.991 1
1 194 . 9 1 1 A 20 20 GLY HA2 H 20 3.958 3.985 -0.027 1
1 195 . 9 1 1 A 20 20 GLY HA3 H 20 3.676 3.986 -0.310 1
1 196 . 9 1 1 A 20 20 GLY C C 20 171.329 174.579 -3.250 1
1 197 . 9 1 1 A 20 20 GLY CA C 20 43.304 45.132 -1.828 1
1 198 . 9 1 1 A 21 21 GLN H H 21 7.553 7.922 -0.369 1
1 199 . 9 1 1 A 21 21 GLN HA H 21 4.581 4.656 -0.075 1
1 206 . 9 1 1 A 21 21 GLN C C 21 172.091 175.942 -3.851 1
1 207 . 9 1 1 A 21 21 GLN CA C 21 51.330 54.648 -3.318 1
1 208 . 9 1 1 A 21 21 GLN CB C 21 29.767 30.514 -0.747 1
1 210 . 9 1 1 A 21 21 GLN N N 21 117.269 120.472 -3.203 1
1 212 . 9 1 1 A 22 22 LEU H H 22 8.048 8.408 -0.360 1
1 213 . 9 1 1 A 22 22 LEU HA H 22 4.292 4.838 -0.546 1
1 223 . 9 1 1 A 22 22 LEU C C 22 171.986 175.249 -3.263 1
1 224 . 9 1 1 A 22 22 LEU CA C 22 50.950 52.836 -1.886 1
1 225 . 9 1 1 A 22 22 LEU CB C 22 38.362 42.332 -3.970 1
1 229 . 9 1 1 A 22 22 LEU N N 22 119.689 120.346 -0.657 1
1 230 . 9 1 1 A 23 23 PRO HA H 23 4.196 4.960 -0.764 1
1 237 . 9 1 1 A 23 23 PRO C C 23 172.331 176.749 -4.418 1
1 238 . 9 1 1 A 23 23 PRO CA C 23 59.882 62.619 -2.737 1
1 239 . 9 1 1 A 23 23 PRO CB C 23 28.948 31.651 -2.703 1
1 242 . 9 1 1 A 24 24 ASP H H 24 8.191 8.437 -0.246 1
1 243 . 9 1 1 A 24 24 ASP HA H 24 4.649 4.695 -0.046 1
1 246 . 9 1 1 A 24 24 ASP C C 24 175.312 175.862 -0.550 1
1 247 . 9 1 1 A 24 24 ASP CA C 24 49.710 54.092 -4.382 1
1 248 . 9 1 1 A 24 24 ASP CB C 24 37.229 41.355 -4.126 1
1 249 . 9 1 1 A 24 24 ASP N N 24 118.307 120.046 -1.739 1
1 250 . 9 1 1 A 25 25 TYR H H 25 8.171 9.277 -1.106 1
1 251 . 9 1 1 A 25 25 TYR HA H 25 4.173 5.126 -0.953 1
1 258 . 9 1 1 A 25 25 TYR C C 25 173.720 176.266 -2.546 1
1 259 . 9 1 1 A 25 25 TYR CA C 25 57.297 57.431 -0.134 1
1 260 . 9 1 1 A 25 25 TYR CB C 25 34.897 38.531 -3.634 1
1 265 . 9 1 1 A 25 25 TYR N N 25 123.576 119.772 3.804 1
1 266 . 9 1 1 A 26 26 THR H H 26 8.278 7.764 0.514 1
1 267 . 9 1 1 A 26 26 THR HA H 26 4.343 4.665 -0.322 1
1 272 . 9 1 1 A 26 26 THR C C 26 173.145 174.331 -1.186 1
1 273 . 9 1 1 A 26 26 THR CA C 26 60.799 62.506 -1.707 1
1 274 . 9 1 1 A 26 26 THR CB C 26 67.379 69.847 -2.468 1
1 276 . 9 1 1 A 26 26 THR N N 26 109.145 111.562 -2.417 1
1 277 . 9 1 1 A 27 27 SER H H 27 7.085 7.999 -0.914 1
1 278 . 9 1 1 A 27 27 SER HA H 27 5.002 4.862 0.140 1
1 281 . 9 1 1 A 27 27 SER C C 27 169.729 172.354 -2.625 1
1 282 . 9 1 1 A 27 27 SER CA C 27 52.526 55.923 -3.397 1
1 283 . 9 1 1 A 27 27 SER CB C 27 61.215 63.412 -2.197 1
1 284 . 9 1 1 A 27 27 SER N N 27 114.134 116.895 -2.761 1
1 285 . 9 1 1 A 28 28 PRO HA H 28 4.553 4.578 -0.025 1
1 292 . 9 1 1 A 28 28 PRO C C 28 174.448 175.469 -1.021 1
1 293 . 9 1 1 A 28 28 PRO CA C 28 60.482 62.499 -2.017 1
1 294 . 9 1 1 A 28 28 PRO CB C 28 29.224 32.769 -3.545 1
1 297 . 9 1 1 A 29 29 VAL H H 29 9.191 8.111 1.080 1
1 298 . 9 1 1 A 29 29 VAL HA H 29 3.946 4.505 -0.559 1
1 306 . 9 1 1 A 29 29 VAL C C 29 172.641 174.521 -1.880 1
1 307 . 9 1 1 A 29 29 VAL CA C 29 60.367 60.676 -0.309 1
1 308 . 9 1 1 A 29 29 VAL CB C 29 30.546 33.908 -3.362 1
1 311 . 9 1 1 A 29 29 VAL N N 29 123.735 120.784 2.951 1
1 312 . 9 1 1 A 30 30 VAL H H 30 8.169 8.944 -0.775 1
1 313 . 9 1 1 A 30 30 VAL HA H 30 4.940 4.892 0.048 1
1 321 . 9 1 1 A 30 30 VAL C C 30 173.560 174.748 -1.188 1
1 322 . 9 1 1 A 30 30 VAL CA C 30 58.568 61.164 -2.596 1
1 323 . 9 1 1 A 30 30 VAL CB C 30 30.303 33.113 -2.810 1
1 326 . 9 1 1 A 30 30 VAL N N 30 125.255 130.148 -4.893 1
1 327 . 9 1 1 A 31 31 LEU H H 31 8.889 8.851 0.038 1
1 328 . 9 1 1 A 31 31 LEU HA H 31 4.816 4.663 0.153 1
1 338 . 9 1 1 A 31 31 LEU C C 31 171.113 174.825 -3.712 1
1 339 . 9 1 1 A 31 31 LEU CA C 31 48.760 53.019 -4.259 1
1 340 . 9 1 1 A 31 31 LEU CB C 31 40.938 40.843 0.095 1
1 344 . 9 1 1 A 31 31 LEU N N 31 127.017 130.653 -3.636 1
1 345 . 9 1 1 A 32 32 PRO HA H 32 4.531 4.680 -0.149 1
1 352 . 9 1 1 A 32 32 PRO C C 32 174.294 177.587 -3.293 1
1 353 . 9 1 1 A 32 32 PRO CA C 32 59.648 62.838 -3.190 1
1 354 . 9 1 1 A 32 32 PRO CB C 32 29.349 31.677 -2.328 1
1 357 . 9 1 1 A 33 33 TYR H H 33 8.105 8.508 -0.403 1
1 358 . 9 1 1 A 33 33 TYR HA H 33 3.788 4.057 -0.269 1
1 365 . 9 1 1 A 33 33 TYR C C 33 173.470 177.284 -3.814 1
1 366 . 9 1 1 A 33 33 TYR CA C 33 58.159 62.266 -4.107 1
1 367 . 9 1 1 A 33 33 TYR CB C 33 36.244 38.960 -2.716 1
1 372 . 9 1 1 A 33 33 TYR N N 33 120.060 126.093 -6.033 1
1 373 . 9 1 1 A 34 34 SER H H 34 7.868 8.342 -0.474 1
1 374 . 9 1 1 A 34 34 SER HA H 34 3.814 4.216 -0.402 1
1 377 . 9 1 1 A 34 34 SER C C 34 171.946 173.980 -2.034 1
1 378 . 9 1 1 A 34 34 SER CA C 34 58.212 61.532 -3.320 1
1 379 . 9 1 1 A 34 34 SER CB C 34 60.928 63.088 -2.160 1
1 380 . 9 1 1 A 34 34 SER N N 34 116.733 114.418 2.315 1
1 381 . 9 1 1 A 35 35 ARG H H 35 7.883 8.498 -0.615 1
1 382 . 9 1 1 A 35 35 ARG HA H 35 4.575 4.634 -0.059 1
1 389 . 9 1 1 A 35 35 ARG C C 35 172.091 174.570 -2.479 1
1 390 . 9 1 1 A 35 35 ARG CA C 35 52.067 54.846 -2.779 1
1 391 . 9 1 1 A 35 35 ARG CB C 35 28.228 31.396 -3.168 1
1 394 . 9 1 1 A 35 35 ARG N N 35 125.492 118.775 6.717 1
1 395 . 9 1 1 A 36 36 THR H H 36 7.874 8.597 -0.723 1
1 396 . 9 1 1 A 36 36 THR HA H 36 4.613 5.225 -0.612 1
1 401 . 9 1 1 A 36 36 THR C C 36 173.095 173.309 -0.214 1
1 402 . 9 1 1 A 36 36 THR CA C 36 57.029 60.503 -3.474 1
1 403 . 9 1 1 A 36 36 THR CB C 36 66.113 70.874 -4.761 1
1 405 . 9 1 1 A 36 36 THR N N 36 107.510 114.269 -6.759 1
1 406 . 9 1 1 A 37 37 THR H H 37 8.804 8.506 0.298 1
1 407 . 9 1 1 A 37 37 THR HA H 37 5.288 4.619 0.669 1
1 412 . 9 1 1 A 37 37 THR C C 37 174.234 174.383 -0.149 1
1 413 . 9 1 1 A 37 37 THR CA C 37 59.681 60.452 -0.771 1
1 414 . 9 1 1 A 37 37 THR CB C 37 70.032 70.863 -0.831 1
1 416 . 9 1 1 A 37 37 THR N N 37 112.714 116.859 -4.145 1
1 417 . 9 1 1 A 38 38 VAL H H 38 8.269 8.797 -0.528 1
1 418 . 9 1 1 A 38 38 VAL HA H 38 3.485 3.570 -0.085 1
1 426 . 9 1 1 A 38 38 VAL C C 38 175.909 177.433 -1.524 1
1 427 . 9 1 1 A 38 38 VAL CA C 38 64.496 66.381 -1.885 1
1 428 . 9 1 1 A 38 38 VAL CB C 38 29.015 31.513 -2.498 1
1 431 . 9 1 1 A 38 38 VAL N N 38 121.372 122.369 -0.997 1
1 432 . 9 1 1 A 39 39 GLU H H 39 8.597 8.317 0.280 1
1 433 . 9 1 1 A 39 39 GLU HA H 39 3.495 3.988 -0.493 1
1 438 . 9 1 1 A 39 39 GLU C C 39 174.769 178.633 -3.864 1
1 439 . 9 1 1 A 39 39 GLU CA C 39 58.418 58.652 -0.234 1
1 440 . 9 1 1 A 39 39 GLU CB C 39 27.358 28.563 -1.205 1
1 442 . 9 1 1 A 39 39 GLU N N 39 121.954 119.386 2.568 1
1 443 . 9 1 1 A 40 40 ASP H H 40 7.493 8.212 -0.719 1
1 444 . 9 1 1 A 40 40 ASP HA H 40 4.071 4.368 -0.297 1
1 447 . 9 1 1 A 40 40 ASP C C 40 176.738 178.618 -1.880 1
1 448 . 9 1 1 A 40 40 ASP CA C 40 55.877 57.100 -1.223 1
1 449 . 9 1 1 A 40 40 ASP CB C 40 38.721 40.608 -1.887 1
1 450 . 9 1 1 A 40 40 ASP N N 40 119.054 121.423 -2.369 1
1 451 . 9 1 1 A 41 41 PHE H H 41 8.429 8.038 0.391 1
1 452 . 9 1 1 A 41 41 PHE HA H 41 3.750 4.100 -0.350 1
1 460 . 9 1 1 A 41 41 PHE C C 41 173.786 177.630 -3.844 1
1 461 . 9 1 1 A 41 41 PHE CA C 41 59.851 61.013 -1.162 1
1 462 . 9 1 1 A 41 41 PHE CB C 41 36.135 38.851 -2.716 1
1 468 . 9 1 1 A 41 41 PHE N N 41 121.017 119.824 1.193 1
1 469 . 9 1 1 A 42 42 CYS H H 42 8.527 8.046 0.481 1
1 470 . 9 1 1 A 42 42 CYS HA H 42 3.752 4.207 -0.455 1
1 473 . 9 1 1 A 42 42 CYS C C 42 174.065 177.568 -3.503 1
1 474 . 9 1 1 A 42 42 CYS CA C 42 62.453 62.330 0.123 1
1 475 . 9 1 1 A 42 42 CYS CB C 42 24.429 26.966 -2.537 1
1 476 . 9 1 1 A 42 42 CYS N N 42 116.390 118.094 -1.704 1
1 477 . 9 1 1 A 43 43 MET H H 43 7.739 7.959 -0.220 1
1 478 . 9 1 1 A 43 43 MET HA H 43 3.885 4.119 -0.234 1
1 486 . 9 1 1 A 43 43 MET C C 43 175.345 178.761 -3.416 1
1 487 . 9 1 1 A 43 43 MET CA C 43 54.460 58.504 -4.044 1
1 488 . 9 1 1 A 43 43 MET CB C 43 28.872 32.466 -3.594 1
1 491 . 9 1 1 A 43 43 MET N N 43 114.377 119.265 -4.888 1
1 492 . 9 1 1 A 44 44 LYS H H 44 7.257 7.410 -0.153 1
1 493 . 9 1 1 A 44 44 LYS HA H 44 3.896 3.926 -0.030 1
1 502 . 9 1 1 A 44 44 LYS C C 44 175.198 178.483 -3.285 1
1 503 . 9 1 1 A 44 44 LYS CA C 44 54.181 58.763 -4.582 1
1 504 . 9 1 1 A 44 44 LYS CB C 44 29.291 32.492 -3.201 1
1 508 . 9 1 1 A 44 44 LYS N N 44 117.480 118.585 -1.105 1
1 509 . 9 1 1 A 45 45 ILE H H 45 7.146 7.128 0.018 1
1 510 . 9 1 1 A 45 45 ILE HA H 45 3.697 3.934 -0.237 1
1 520 . 9 1 1 A 45 45 ILE C C 45 174.894 176.081 -1.187 1
1 521 . 9 1 1 A 45 45 ILE CA C 45 59.954 63.143 -3.189 1
1 522 . 9 1 1 A 45 45 ILE CB C 45 33.943 38.441 -4.498 1
1 526 . 9 1 1 A 45 45 ILE N N 45 119.267 117.321 1.946 1
1 527 . 9 1 1 A 46 46 HIS H H 46 7.982 8.151 -0.169 1
1 528 . 9 1 1 A 46 46 HIS HA H 46 4.200 4.826 -0.626 1
1 533 . 9 1 1 A 46 46 HIS C C 46 173.349 175.127 -1.778 1
1 534 . 9 1 1 A 46 46 HIS CA C 46 56.363 55.999 0.364 1
1 535 . 9 1 1 A 46 46 HIS CB C 46 30.998 32.535 -1.537 1
1 538 . 9 1 1 A 46 46 HIS N N 46 116.498 117.307 -0.809 1
1 539 . 9 1 1 A 47 47 LYS H H 47 8.478 8.902 -0.424 1
1 540 . 9 1 1 A 47 47 LYS HA H 47 4.091 3.864 0.227 1
1 545 . 9 1 1 A 47 47 LYS C C 47 174.519 178.805 -4.286 1
1 546 . 9 1 1 A 47 47 LYS CA C 47 57.279 60.392 -3.113 1
1 547 . 9 1 1 A 47 47 LYS CB C 47 29.709 32.071 -2.362 1
1 551 . 9 1 1 A 47 47 LYS N N 47 127.686 126.921 0.765 1
1 552 . 9 1 1 A 48 48 ASN H H 48 10.623 8.464 2.159 1
1 553 . 9 1 1 A 48 48 ASN HA H 48 4.839 4.517 0.322 1
1 558 . 9 1 1 A 48 48 ASN C C 48 175.138 177.257 -2.119 1
1 559 . 9 1 1 A 48 48 ASN CA C 48 50.960 56.272 -5.312 1
1 560 . 9 1 1 A 48 48 ASN CB C 48 36.975 39.577 -2.602 1
1 561 . 9 1 1 A 48 48 ASN N N 48 118.711 118.403 0.308 1
1 563 . 9 1 1 A 49 49 LEU H H 49 7.796 8.605 -0.809 1
1 564 . 9 1 1 A 49 49 LEU HA H 49 4.103 3.994 0.109 1
1 574 . 9 1 1 A 49 49 LEU C C 49 176.976 178.534 -1.558 1
1 575 . 9 1 1 A 49 49 LEU CA C 49 56.381 58.902 -2.521 1
1 576 . 9 1 1 A 49 49 LEU CB C 49 39.064 42.092 -3.028 1
1 580 . 9 1 1 A 49 49 LEU N N 49 124.676 120.417 4.259 1
1 581 . 9 1 1 A 50 50 ILE H H 50 9.052 8.135 0.917 1
1 582 . 9 1 1 A 50 50 ILE HA H 50 4.060 3.866 0.194 1
1 592 . 9 1 1 A 50 50 ILE C C 50 173.983 177.725 -3.742 1
1 593 . 9 1 1 A 50 50 ILE CA C 50 57.842 64.355 -6.513 1
1 594 . 9 1 1 A 50 50 ILE CB C 50 35.943 37.940 -1.997 1
1 598 . 9 1 1 A 50 50 ILE N N 50 116.565 118.873 -2.308 1
1 599 . 9 1 1 A 51 51 LYS H H 51 7.275 8.355 -1.080 1
1 600 . 9 1 1 A 51 51 LYS HA H 51 4.143 3.949 0.194 1
1 609 . 9 1 1 A 51 51 LYS C C 51 175.668 178.762 -3.094 1
1 610 . 9 1 1 A 51 51 LYS CA C 51 55.696 60.403 -4.707 1
1 611 . 9 1 1 A 51 51 LYS CB C 51 29.767 32.024 -2.257 1
1 615 . 9 1 1 A 51 51 LYS N N 51 119.864 122.073 -2.209 1
1 616 . 9 1 1 A 52 52 GLU H H 52 7.590 7.892 -0.302 1
1 617 . 9 1 1 A 52 52 GLU HA H 52 4.319 4.336 -0.017 1
1 622 . 9 1 1 A 52 52 GLU C C 52 173.088 176.697 -3.609 1
1 623 . 9 1 1 A 52 52 GLU CA C 52 53.301 56.932 -3.631 1
1 624 . 9 1 1 A 52 52 GLU CB C 52 28.778 30.130 -1.352 1
1 626 . 9 1 1 A 52 52 GLU N N 52 116.453 116.398 0.055 1
1 627 . 9 1 1 A 53 53 PHE H H 53 7.423 8.037 -0.614 1
1 628 . 9 1 1 A 53 53 PHE HA H 53 3.608 4.617 -1.009 1
1 636 . 9 1 1 A 53 53 PHE C C 53 170.946 175.326 -4.380 1
1 637 . 9 1 1 A 53 53 PHE CA C 53 57.983 57.935 0.048 1
1 638 . 9 1 1 A 53 53 PHE CB C 53 38.913 39.054 -0.141 1
1 644 . 9 1 1 A 53 53 PHE N N 53 120.950 123.091 -2.141 1
1 645 . 9 1 1 A 54 54 LYS H H 54 8.385 8.554 -0.169 1
1 646 . 9 1 1 A 54 54 LYS HA H 54 4.268 4.091 0.177 1
1 655 . 9 1 1 A 54 54 LYS C C 54 173.038 175.297 -2.259 1
1 656 . 9 1 1 A 54 54 LYS CA C 54 55.263 57.340 -2.077 1
1 657 . 9 1 1 A 54 54 LYS CB C 54 32.730 33.575 -0.845 1
1 661 . 9 1 1 A 54 54 LYS N N 54 128.686 127.505 1.181 1
1 662 . 9 1 1 A 55 55 TYR H H 55 7.083 7.052 0.031 1
1 663 . 9 1 1 A 55 55 TYR HA H 55 4.120 4.571 -0.451 1
1 670 . 9 1 1 A 55 55 TYR C C 55 168.503 173.163 -4.660 1
1 671 . 9 1 1 A 55 55 TYR CA C 55 55.198 56.137 -0.939 1
1 672 . 9 1 1 A 55 55 TYR CB C 55 35.633 39.908 -4.275 1
1 677 . 9 1 1 A 55 55 TYR N N 55 110.963 112.934 -1.971 1
1 678 . 9 1 1 A 56 56 ALA H H 56 8.836 8.666 0.170 1
1 679 . 9 1 1 A 56 56 ALA HA H 56 5.293 5.498 -0.205 1
1 683 . 9 1 1 A 56 56 ALA C C 56 172.993 175.946 -2.953 1
1 684 . 9 1 1 A 56 56 ALA CA C 56 47.088 50.607 -3.519 1
1 685 . 9 1 1 A 56 56 ALA CB C 56 20.287 23.013 -2.726 1
1 686 . 9 1 1 A 56 56 ALA N N 56 118.379 122.334 -3.955 1
1 687 . 9 1 1 A 57 57 LEU H H 57 8.880 8.903 -0.023 1
1 688 . 9 1 1 A 57 57 LEU HA H 57 4.854 4.689 0.165 1
1 698 . 9 1 1 A 57 57 LEU C C 57 172.904 175.539 -2.635 1
1 699 . 9 1 1 A 57 57 LEU CA C 57 50.872 53.508 -2.636 1
1 700 . 9 1 1 A 57 57 LEU CB C 57 42.160 41.711 0.449 1
1 704 . 9 1 1 A 57 57 LEU N N 57 121.382 121.950 -0.568 1
1 705 . 9 1 1 A 58 58 VAL H H 58 8.123 8.414 -0.291 1
1 706 . 9 1 1 A 58 58 VAL HA H 58 5.243 4.358 0.885 1
1 714 . 9 1 1 A 58 58 VAL C C 58 171.929 175.138 -3.209 1
1 715 . 9 1 1 A 58 58 VAL CA C 58 57.683 62.450 -4.767 1
1 716 . 9 1 1 A 58 58 VAL CB C 58 33.036 32.215 0.821 1
1 719 . 9 1 1 A 58 58 VAL N N 58 120.400 124.692 -4.292 1
1 720 . 9 1 1 A 59 59 TRP H H 59 9.316 8.781 0.535 1
1 721 . 9 1 1 A 59 59 TRP HA H 59 4.843 5.235 -0.392 1
1 730 . 9 1 1 A 59 59 TRP C C 59 173.582 176.769 -3.187 1
1 731 . 9 1 1 A 59 59 TRP CA C 59 54.736 55.025 -0.289 1
1 732 . 9 1 1 A 59 59 TRP CB C 59 30.514 30.704 -0.190 1
1 738 . 9 1 1 A 59 59 TRP N N 59 127.196 128.190 -0.994 1
1 740 . 9 1 1 A 60 60 GLY H H 60 8.531 8.322 0.209 1
1 741 . 9 1 1 A 60 60 GLY HA2 H 60 4.934 4.352 0.582 1
1 742 . 9 1 1 A 60 60 GLY HA3 H 60 4.123 4.353 -0.230 1
1 743 . 9 1 1 A 60 60 GLY C C 60 171.378 174.480 -3.102 1
1 744 . 9 1 1 A 60 60 GLY CA C 60 42.587 45.754 -3.167 1
1 745 . 9 1 1 A 60 60 GLY N N 60 110.481 110.453 0.028 1
1 746 . 9 1 1 A 61 61 LEU H H 61 8.188 8.991 -0.803 1
1 747 . 9 1 1 A 61 61 LEU HA H 61 4.141 3.995 0.146 1
1 757 . 9 1 1 A 61 61 LEU C C 61 176.897 178.765 -1.868 1
1 758 . 9 1 1 A 61 61 LEU CA C 61 54.357 57.395 -3.038 1
1 759 . 9 1 1 A 61 61 LEU CB C 61 39.942 41.214 -1.272 1
1 763 . 9 1 1 A 61 61 LEU N N 61 118.667 121.250 -2.583 1
1 764 . 9 1 1 A 62 62 SER H H 62 8.123 8.247 -0.124 1
1 765 . 9 1 1 A 62 62 SER HA H 62 4.284 4.136 0.148 1
1 768 . 9 1 1 A 62 62 SER C C 62 171.932 173.980 -2.048 1
1 769 . 9 1 1 A 62 62 SER CA C 62 57.279 61.773 -4.494 1
1 770 . 9 1 1 A 62 62 SER CB C 62 60.354 63.341 -2.987 1
1 771 . 9 1 1 A 62 62 SER N N 62 110.946 113.524 -2.578 1
1 772 . 9 1 1 A 63 63 VAL H H 63 7.174 7.795 -0.621 1
1 773 . 9 1 1 A 63 63 VAL HA H 63 4.503 4.602 -0.099 1
1 781 . 9 1 1 A 63 63 VAL C C 63 173.221 175.681 -2.460 1
1 782 . 9 1 1 A 63 63 VAL CA C 63 57.573 59.234 -1.661 1
1 783 . 9 1 1 A 63 63 VAL CB C 63 31.826 34.371 -2.545 1
1 786 . 9 1 1 A 63 63 VAL N N 63 114.625 115.632 -1.007 1
1 787 . 9 1 1 A 64 64 LYS H H 64 8.112 8.633 -0.521 1
1 788 . 9 1 1 A 64 64 LYS HA H 64 4.105 4.213 -0.108 1
1 796 . 9 1 1 A 64 64 LYS C C 64 174.259 176.864 -2.605 1
1 797 . 9 1 1 A 64 64 LYS CA C 64 54.586 57.791 -3.205 1
1 798 . 9 1 1 A 64 64 LYS CB C 64 30.837 32.897 -2.060 1
1 802 . 9 1 1 A 64 64 LYS N N 64 119.722 121.915 -2.193 1
1 803 . 9 1 1 A 65 65 HIS H H 65 7.496 7.666 -0.170 1
1 804 . 9 1 1 A 65 65 HIS HA H 65 4.497 5.141 -0.644 1
1 809 . 9 1 1 A 65 65 HIS C C 65 170.028 174.221 -4.193 1
1 810 . 9 1 1 A 65 65 HIS CA C 65 52.491 54.516 -2.025 1
1 811 . 9 1 1 A 65 65 HIS CB C 65 29.149 31.699 -2.550 1
1 814 . 9 1 1 A 65 65 HIS N N 65 117.336 115.460 1.876 1
1 815 . 9 1 1 A 66 66 ASN H H 66 8.135 9.100 -0.965 1
1 816 . 9 1 1 A 66 66 ASN HA H 66 4.986 5.152 -0.166 1
1 821 . 9 1 1 A 66 66 ASN C C 66 171.088 173.291 -2.203 1
1 822 . 9 1 1 A 66 66 ASN CA C 66 47.732 50.583 -2.851 1
1 823 . 9 1 1 A 66 66 ASN CB C 66 39.365 39.624 -0.259 1
1 824 . 9 1 1 A 66 66 ASN N N 66 118.616 122.277 -3.661 1
1 826 . 9 1 1 A 67 67 PRO HA H 67 4.408 4.110 0.298 1
1 833 . 9 1 1 A 67 67 PRO C C 67 173.325 175.298 -1.973 1
1 834 . 9 1 1 A 67 67 PRO CA C 67 60.535 62.423 -1.888 1
1 835 . 9 1 1 A 67 67 PRO CB C 67 31.065 32.462 -1.397 1
1 838 . 9 1 1 A 68 68 GLN H H 68 8.323 8.226 0.097 1
1 839 . 9 1 1 A 68 68 GLN HA H 68 4.295 4.560 -0.265 1
1 846 . 9 1 1 A 68 68 GLN C C 68 172.005 174.374 -2.369 1
1 847 . 9 1 1 A 68 68 GLN CA C 68 51.805 54.727 -2.922 1
1 848 . 9 1 1 A 68 68 GLN CB C 68 30.014 32.080 -2.066 1
1 850 . 9 1 1 A 68 68 GLN N N 68 118.089 121.267 -3.178 1
1 852 . 9 1 1 A 69 69 LYS H H 69 8.268 8.491 -0.223 1
1 853 . 9 1 1 A 69 69 LYS HA H 69 4.907 4.470 0.437 1
1 862 . 9 1 1 A 69 69 LYS C C 69 174.226 176.368 -2.142 1
1 863 . 9 1 1 A 69 69 LYS CA C 69 53.598 56.273 -2.675 1
1 864 . 9 1 1 A 69 69 LYS CB C 69 30.096 32.700 -2.604 1
1 868 . 9 1 1 A 69 69 LYS N N 69 125.766 127.747 -1.981 1
1 869 . 9 1 1 A 70 70 VAL H H 70 9.409 8.574 0.835 1
1 870 . 9 1 1 A 70 70 VAL HA H 70 4.723 4.854 -0.131 1
1 878 . 9 1 1 A 70 70 VAL C C 70 172.498 175.651 -3.153 1
1 879 . 9 1 1 A 70 70 VAL CA C 70 56.680 59.659 -2.979 1
1 880 . 9 1 1 A 70 70 VAL CB C 70 33.332 34.729 -1.397 1
1 883 . 9 1 1 A 70 70 VAL N N 70 120.660 119.866 0.794 1
1 884 . 9 1 1 A 71 71 GLY H H 71 8.445 8.578 -0.133 1
1 885 . 9 1 1 A 71 71 GLY HA2 H 71 4.961 4.255 0.706 1
1 886 . 9 1 1 A 71 71 GLY HA3 H 71 3.898 4.282 -0.384 1
1 887 . 9 1 1 A 71 71 GLY C C 71 172.669 174.974 -2.305 1
1 888 . 9 1 1 A 71 71 GLY CA C 71 40.896 44.529 -3.633 1
1 889 . 9 1 1 A 71 71 GLY N N 71 106.755 109.793 -3.038 1
1 890 . 9 1 1 A 72 72 LYS H H 72 8.573 8.969 -0.396 1
1 891 . 9 1 1 A 72 72 LYS HA H 72 3.454 4.196 -0.742 1
1 900 . 9 1 1 A 72 72 LYS C C 72 172.853 178.575 -5.722 1
1 901 . 9 1 1 A 72 72 LYS CA C 72 56.108 58.528 -2.420 1
1 902 . 9 1 1 A 72 72 LYS CB C 72 29.993 33.492 -3.499 1
1 906 . 9 1 1 A 72 72 LYS N N 72 114.685 118.278 -3.593 1
1 907 . 9 1 1 A 73 73 ASP H H 73 8.517 7.810 0.707 1
1 908 . 9 1 1 A 73 73 ASP HA H 73 4.543 4.641 -0.098 1
1 911 . 9 1 1 A 73 73 ASP C C 73 173.041 176.533 -3.492 1
1 912 . 9 1 1 A 73 73 ASP CA C 73 51.118 55.943 -4.825 1
1 913 . 9 1 1 A 73 73 ASP CB C 73 38.311 41.287 -2.976 1
1 914 . 9 1 1 A 73 73 ASP N N 73 115.449 119.855 -4.406 1
1 915 . 9 1 1 A 74 74 HIS H H 74 7.173 7.643 -0.470 1
1 916 . 9 1 1 A 74 74 HIS HA H 74 4.084 4.349 -0.265 1
1 921 . 9 1 1 A 74 74 HIS C C 74 172.466 175.023 -2.557 1
1 922 . 9 1 1 A 74 74 HIS CA C 74 55.483 57.854 -2.371 1
1 923 . 9 1 1 A 74 74 HIS CB C 74 29.868 30.673 -0.805 1
1 926 . 9 1 1 A 74 74 HIS N N 74 120.387 119.975 0.412 1
1 927 . 9 1 1 A 75 75 THR H H 75 7.573 8.212 -0.639 1
1 928 . 9 1 1 A 75 75 THR HA H 75 3.562 4.230 -0.668 1
1 933 . 9 1 1 A 75 75 THR C C 75 170.555 174.080 -3.525 1
1 934 . 9 1 1 A 75 75 THR CA C 75 61.656 62.411 -0.755 1
1 935 . 9 1 1 A 75 75 THR CB C 75 66.449 69.509 -3.060 1
1 937 . 9 1 1 A 75 75 THR N N 75 123.519 120.600 2.919 1
1 938 . 9 1 1 A 76 76 LEU H H 76 8.300 8.448 -0.148 1
1 939 . 9 1 1 A 76 76 LEU HA H 76 4.187 4.676 -0.489 1
1 949 . 9 1 1 A 76 76 LEU C C 76 174.153 176.442 -2.289 1
1 950 . 9 1 1 A 76 76 LEU CA C 76 52.201 53.809 -1.608 1
1 951 . 9 1 1 A 76 76 LEU CB C 76 40.188 42.884 -2.696 1
1 955 . 9 1 1 A 76 76 LEU N N 76 127.705 127.079 0.626 1
1 956 . 9 1 1 A 77 77 GLU H H 77 9.006 8.755 0.251 1
1 957 . 9 1 1 A 77 77 GLU HA H 77 4.295 4.721 -0.426 1
1 962 . 9 1 1 A 77 77 GLU C C 77 172.035 175.455 -3.420 1
1 963 . 9 1 1 A 77 77 GLU CA C 77 51.734 54.453 -2.719 1
1 964 . 9 1 1 A 77 77 GLU CB C 77 30.671 32.794 -2.123 1
1 966 . 9 1 1 A 77 77 GLU N N 77 120.330 121.409 -1.079 1
1 967 . 9 1 1 A 78 78 ASP H H 78 8.375 8.703 -0.328 1
1 968 . 9 1 1 A 78 78 ASP HA H 78 4.289 4.317 -0.028 1
1 971 . 9 1 1 A 78 78 ASP C C 78 174.522 177.001 -2.479 1
1 972 . 9 1 1 A 78 78 ASP CA C 78 54.779 54.915 -0.136 1
1 973 . 9 1 1 A 78 78 ASP CB C 78 39.200 41.131 -1.931 1
1 974 . 9 1 1 A 78 78 ASP N N 78 116.751 122.400 -5.649 1
1 975 . 9 1 1 A 79 79 GLU H H 79 9.867 8.772 1.095 1
1 976 . 9 1 1 A 79 79 GLU HA H 79 3.685 3.958 -0.273 1
1 981 . 9 1 1 A 79 79 GLU C C 79 172.755 174.871 -2.116 1
1 982 . 9 1 1 A 79 79 GLU CA C 79 57.384 57.389 -0.005 1
1 983 . 9 1 1 A 79 79 GLU CB C 79 24.429 27.924 -3.495 1
1 985 . 9 1 1 A 79 79 GLU N N 79 119.409 120.061 -0.652 1
1 986 . 9 1 1 A 80 80 ASP H H 80 8.212 7.341 0.871 1
1 987 . 9 1 1 A 80 80 ASP HA H 80 4.833 5.338 -0.505 1
1 990 . 9 1 1 A 80 80 ASP C C 80 171.935 174.874 -2.939 1
1 991 . 9 1 1 A 80 80 ASP CA C 80 53.900 53.248 0.652 1
1 992 . 9 1 1 A 80 80 ASP CB C 80 39.633 44.243 -4.610 1
1 993 . 9 1 1 A 80 80 ASP N N 80 121.227 117.521 3.706 1
1 994 . 9 1 1 A 81 81 VAL H H 81 8.638 9.176 -0.538 1
1 995 . 9 1 1 A 81 81 VAL HA H 81 5.055 5.196 -0.141 1
1 1003 . 9 1 1 A 81 81 VAL C C 81 172.826 174.955 -2.129 1
1 1004 . 9 1 1 A 81 81 VAL CA C 81 57.723 62.116 -4.393 1
1 1005 . 9 1 1 A 81 81 VAL CB C 81 31.767 32.790 -1.023 1
1 1008 . 9 1 1 A 81 81 VAL N N 81 118.946 123.618 -4.672 1
1 1009 . 9 1 1 A 82 82 ILE H H 82 9.007 8.621 0.386 1
1 1010 . 9 1 1 A 82 82 ILE HA H 82 5.789 5.202 0.587 1
1 1020 . 9 1 1 A 82 82 ILE C C 82 170.143 173.509 -3.366 1
1 1021 . 9 1 1 A 82 82 ILE CA C 82 55.824 58.928 -3.104 1
1 1022 . 9 1 1 A 82 82 ILE CB C 82 41.574 41.230 0.344 1
1 1026 . 9 1 1 A 82 82 ILE N N 82 124.391 129.358 -4.967 1
1 1027 . 9 1 1 A 83 83 GLN H H 83 9.415 8.914 0.501 1
1 1028 . 9 1 1 A 83 83 GLN HA H 83 4.815 4.909 -0.094 1
1 1035 . 9 1 1 A 83 83 GLN C C 83 172.719 174.419 -1.700 1
1 1036 . 9 1 1 A 83 83 GLN CA C 83 52.016 54.729 -2.713 1
1 1037 . 9 1 1 A 83 83 GLN CB C 83 32.094 30.311 1.783 1
1 1039 . 9 1 1 A 83 83 GLN N N 83 127.774 128.980 -1.206 1
1 1041 . 9 1 1 A 84 84 ILE H H 84 8.878 8.505 0.373 1
1 1042 . 9 1 1 A 84 84 ILE HA H 84 4.074 4.457 -0.383 1
1 1052 . 9 1 1 A 84 84 ILE C C 84 173.096 175.903 -2.807 1
1 1053 . 9 1 1 A 84 84 ILE CA C 84 57.372 61.163 -3.791 1
1 1054 . 9 1 1 A 84 84 ILE CB C 84 34.771 37.205 -2.434 1
1 1058 . 9 1 1 A 84 84 ILE N N 84 126.673 126.721 -0.048 1
1 1059 . 9 1 1 A 85 85 VAL H H 85 8.562 8.305 0.257 1
1 1060 . 9 1 1 A 85 85 VAL HA H 85 3.914 4.748 -0.834 1
1 1068 . 9 1 1 A 85 85 VAL C C 85 172.438 174.626 -2.188 1
1 1069 . 9 1 1 A 85 85 VAL CA C 85 60.112 60.517 -0.405 1
1 1070 . 9 1 1 A 85 85 VAL CB C 85 28.964 32.761 -3.797 1
1 1073 . 9 1 1 A 85 85 VAL N N 85 130.400 123.679 6.721 1
1 1074 . 9 1 1 A 86 86 LYS H H 86 8.399 8.571 -0.172 1
1 1075 . 9 1 1 A 86 86 LYS HA H 86 4.640 5.054 -0.414 1
1 1084 . 9 1 1 A 86 86 LYS C C 86 174.388 176.394 -2.006 1
1 1085 . 9 1 1 A 86 86 LYS CA C 86 53.301 54.472 -1.171 1
1 1086 . 9 1 1 A 86 86 LYS CB C 86 32.587 34.981 -2.394 1
1 1090 . 9 1 1 A 86 86 LYS N N 86 126.582 123.761 2.821 1
1 1091 . 9 1 1 A 87 87 LYS H H 87 8.485 8.303 0.182 1
1 1092 . 9 1 1 A 87 87 LYS HA H 87 3.923 4.081 -0.158 1
1 1101 . 9 1 1 A 87 87 LYS C C 87 174.196 177.047 -2.851 1
1 1102 . 9 1 1 A 87 87 LYS CA C 87 55.171 57.287 -2.116 1
1 1103 . 9 1 1 A 87 87 LYS CB C 87 31.274 32.465 -1.191 1
1 1107 . 9 1 1 A 87 87 LYS N N 87 119.203 124.293 -5.090 1
1 1108 . 9 1 1 A 89 89 GLY HA2 H 89 4.034 4.224 -0.190 1
1 1109 . 9 1 1 A 89 89 GLY HA3 H 89 4.034 4.226 -0.192 1
1 1110 . 9 1 1 A 89 89 GLY CA C 89 42.366 45.046 -2.680 1
1 1111 . 9 1 1 A 90 90 PRO HA H 90 4.369 4.515 -0.146 1
1 1118 . 9 1 1 A 90 90 PRO CA C 90 61.070 63.229 -2.159 1
1 1119 . 9 1 1 A 90 90 PRO CB C 90 29.818 31.999 -2.181 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.759 4.176 -0.417 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.759 4.189 -0.430 1
1 3 . 10 1 1 A 7 7 GLY C C 7 171.455 173.105 -1.650 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 42.980 45.312 -2.332 1
1 5 . 10 1 1 A 8 8 TYR H H 8 7.813 8.975 -1.162 1
1 6 . 10 1 1 A 8 8 TYR HA H 8 4.391 4.700 -0.309 1
1 13 . 10 1 1 A 8 8 TYR C C 8 173.043 175.389 -2.346 1
1 14 . 10 1 1 A 8 8 TYR CA C 8 55.501 58.280 -2.779 1
1 15 . 10 1 1 A 8 8 TYR CB C 8 36.317 38.939 -2.622 1
1 20 . 10 1 1 A 8 8 TYR N N 8 119.411 126.923 -7.512 1
1 21 . 10 1 1 A 9 9 LEU H H 9 7.861 7.397 0.464 1
1 22 . 10 1 1 A 9 9 LEU HA H 9 4.118 4.283 -0.165 1
1 32 . 10 1 1 A 9 9 LEU C C 9 173.714 175.285 -1.571 1
1 33 . 10 1 1 A 9 9 LEU CA C 9 52.544 53.854 -1.310 1
1 34 . 10 1 1 A 9 9 LEU CB C 9 40.106 41.223 -1.117 1
1 38 . 10 1 1 A 9 9 LEU N N 9 123.594 121.543 2.051 1
1 39 . 10 1 1 A 10 10 LYS H H 10 7.976 7.929 0.047 1
1 40 . 10 1 1 A 10 10 LYS HA H 10 4.108 4.335 -0.227 1
1 49 . 10 1 1 A 10 10 LYS C C 10 172.845 175.471 -2.626 1
1 50 . 10 1 1 A 10 10 LYS CA C 10 54.150 56.211 -2.061 1
1 51 . 10 1 1 A 10 10 LYS CB C 10 30.736 32.823 -2.087 1
1 55 . 10 1 1 A 10 10 LYS N N 10 122.047 128.374 -6.327 1
1 56 . 10 1 1 A 11 11 LEU H H 11 8.102 8.615 -0.513 1
1 57 . 10 1 1 A 11 11 LEU HA H 11 4.711 5.093 -0.382 1
1 67 . 10 1 1 A 11 11 LEU C C 11 173.849 175.472 -1.623 1
1 68 . 10 1 1 A 11 11 LEU CA C 11 51.523 53.634 -2.111 1
1 69 . 10 1 1 A 11 11 LEU CB C 11 41.767 44.384 -2.617 1
1 73 . 10 1 1 A 11 11 LEU N N 11 123.872 125.393 -1.521 1
1 74 . 10 1 1 A 12 12 VAL H H 12 8.956 8.744 0.212 1
1 75 . 10 1 1 A 12 12 VAL HA H 12 4.044 4.971 -0.927 1
1 83 . 10 1 1 A 12 12 VAL C C 12 171.356 174.557 -3.201 1
1 84 . 10 1 1 A 12 12 VAL CA C 12 59.549 60.029 -0.480 1
1 85 . 10 1 1 A 12 12 VAL CB C 12 31.500 34.174 -2.674 1
1 88 . 10 1 1 A 12 12 VAL N N 12 122.036 120.644 1.392 1
1 89 . 10 1 1 A 13 13 ARG H H 13 9.211 8.831 0.380 1
1 90 . 10 1 1 A 13 13 ARG HA H 13 4.434 4.778 -0.344 1
1 98 . 10 1 1 A 13 13 ARG C C 13 171.964 175.133 -3.169 1
1 99 . 10 1 1 A 13 13 ARG CA C 13 52.791 55.057 -2.266 1
1 100 . 10 1 1 A 13 13 ARG CB C 13 29.067 32.079 -3.012 1
1 103 . 10 1 1 A 13 13 ARG N N 13 125.178 124.154 1.024 1
1 105 . 10 1 1 A 14 14 ILE H H 14 8.811 9.056 -0.245 1
1 106 . 10 1 1 A 14 14 ILE HA H 14 4.592 4.861 -0.269 1
1 116 . 10 1 1 A 14 14 ILE C C 14 173.197 174.535 -1.338 1
1 117 . 10 1 1 A 14 14 ILE CA C 14 55.308 59.918 -4.610 1
1 118 . 10 1 1 A 14 14 ILE CB C 14 36.411 40.513 -4.102 1
1 122 . 10 1 1 A 14 14 ILE N N 14 122.061 123.932 -1.871 1
1 123 . 10 1 1 A 15 15 TYR H H 15 8.781 9.120 -0.339 1
1 124 . 10 1 1 A 15 15 TYR HA H 15 5.103 5.083 0.020 1
1 131 . 10 1 1 A 15 15 TYR C C 15 172.764 175.447 -2.683 1
1 132 . 10 1 1 A 15 15 TYR CA C 15 53.740 56.798 -3.058 1
1 133 . 10 1 1 A 15 15 TYR CB C 15 37.340 38.112 -0.772 1
1 138 . 10 1 1 A 15 15 TYR N N 15 125.241 127.449 -2.208 1
1 139 . 10 1 1 A 16 16 THR H H 16 8.961 8.973 -0.012 1
1 140 . 10 1 1 A 16 16 THR HA H 16 4.806 4.469 0.337 1
1 145 . 10 1 1 A 16 16 THR C C 16 171.478 173.426 -1.948 1
1 146 . 10 1 1 A 16 16 THR CA C 16 59.180 63.342 -4.162 1
1 147 . 10 1 1 A 16 16 THR CB C 16 68.174 69.877 -1.703 1
1 149 . 10 1 1 A 16 16 THR N N 16 116.007 121.332 -5.325 1
1 150 . 10 1 1 A 17 17 LYS H H 17 8.397 8.764 -0.367 1
1 151 . 10 1 1 A 17 17 LYS HA H 17 4.446 5.022 -0.576 1
1 160 . 10 1 1 A 17 17 LYS C C 17 170.870 174.318 -3.448 1
1 161 . 10 1 1 A 17 17 LYS CA C 17 50.238 52.740 -2.502 1
1 162 . 10 1 1 A 17 17 LYS CB C 17 32.677 33.966 -1.289 1
1 166 . 10 1 1 A 17 17 LYS N N 17 125.122 128.845 -3.723 1
1 167 . 10 1 1 A 18 18 PRO HA H 18 4.474 4.559 -0.085 1
1 174 . 10 1 1 A 18 18 PRO C C 18 174.170 177.292 -3.122 1
1 175 . 10 1 1 A 18 18 PRO CA C 18 59.250 62.861 -3.611 1
1 176 . 10 1 1 A 18 18 PRO CB C 18 29.517 31.916 -2.399 1
1 179 . 10 1 1 A 19 19 LYS H H 19 8.467 8.503 -0.036 1
1 180 . 10 1 1 A 19 19 LYS HA H 19 3.887 4.083 -0.196 1
1 187 . 10 1 1 A 19 19 LYS C C 19 175.944 176.850 -0.906 1
1 188 . 10 1 1 A 19 19 LYS CA C 19 55.732 56.840 -1.108 1
1 189 . 10 1 1 A 19 19 LYS CB C 19 29.818 32.154 -2.336 1
1 193 . 10 1 1 A 19 19 LYS N N 19 121.921 119.932 1.989 1
1 194 . 10 1 1 A 20 20 GLY HA2 H 20 3.958 3.987 -0.029 1
1 195 . 10 1 1 A 20 20 GLY HA3 H 20 3.676 3.989 -0.313 1
1 196 . 10 1 1 A 20 20 GLY C C 20 171.329 173.982 -2.653 1
1 197 . 10 1 1 A 20 20 GLY CA C 20 43.304 45.145 -1.841 1
1 198 . 10 1 1 A 21 21 GLN H H 21 7.553 7.498 0.055 1
1 199 . 10 1 1 A 21 21 GLN HA H 21 4.581 4.628 -0.047 1
1 206 . 10 1 1 A 21 21 GLN C C 21 172.091 175.717 -3.626 1
1 207 . 10 1 1 A 21 21 GLN CA C 21 51.330 54.365 -3.035 1
1 208 . 10 1 1 A 21 21 GLN CB C 21 29.767 30.659 -0.892 1
1 210 . 10 1 1 A 21 21 GLN N N 21 117.269 121.384 -4.115 1
1 212 . 10 1 1 A 22 22 LEU H H 22 8.048 8.210 -0.162 1
1 213 . 10 1 1 A 22 22 LEU HA H 22 4.292 4.825 -0.533 1
1 223 . 10 1 1 A 22 22 LEU C C 22 171.986 174.882 -2.896 1
1 224 . 10 1 1 A 22 22 LEU CA C 22 50.950 52.307 -1.357 1
1 225 . 10 1 1 A 22 22 LEU CB C 22 38.362 42.550 -4.188 1
1 229 . 10 1 1 A 22 22 LEU N N 22 119.689 121.154 -1.465 1
1 230 . 10 1 1 A 23 23 PRO HA H 23 4.196 4.921 -0.725 1
1 237 . 10 1 1 A 23 23 PRO C C 23 172.331 176.507 -4.176 1
1 238 . 10 1 1 A 23 23 PRO CA C 23 59.882 62.514 -2.632 1
1 239 . 10 1 1 A 23 23 PRO CB C 23 28.948 31.765 -2.817 1
1 242 . 10 1 1 A 24 24 ASP H H 24 8.191 8.366 -0.175 1
1 243 . 10 1 1 A 24 24 ASP HA H 24 4.649 4.451 0.198 1
1 246 . 10 1 1 A 24 24 ASP C C 24 175.312 175.514 -0.202 1
1 247 . 10 1 1 A 24 24 ASP CA C 24 49.710 53.878 -4.168 1
1 248 . 10 1 1 A 24 24 ASP CB C 24 37.229 41.188 -3.959 1
1 249 . 10 1 1 A 24 24 ASP N N 24 118.307 120.732 -2.425 1
1 250 . 10 1 1 A 25 25 TYR H H 25 8.171 8.760 -0.589 1
1 251 . 10 1 1 A 25 25 TYR HA H 25 4.173 4.851 -0.678 1
1 258 . 10 1 1 A 25 25 TYR C C 25 173.720 176.142 -2.422 1
1 259 . 10 1 1 A 25 25 TYR CA C 25 57.297 58.422 -1.125 1
1 260 . 10 1 1 A 25 25 TYR CB C 25 34.897 40.281 -5.384 1
1 265 . 10 1 1 A 25 25 TYR N N 25 123.576 119.894 3.682 1
1 266 . 10 1 1 A 26 26 THR H H 26 8.278 8.137 0.141 1
1 267 . 10 1 1 A 26 26 THR HA H 26 4.343 4.469 -0.126 1
1 272 . 10 1 1 A 26 26 THR C C 26 173.145 174.992 -1.847 1
1 273 . 10 1 1 A 26 26 THR CA C 26 60.799 64.086 -3.287 1
1 274 . 10 1 1 A 26 26 THR CB C 26 67.379 69.798 -2.419 1
1 276 . 10 1 1 A 26 26 THR N N 26 109.145 114.468 -5.323 1
1 277 . 10 1 1 A 27 27 SER H H 27 7.085 7.972 -0.887 1
1 278 . 10 1 1 A 27 27 SER HA H 27 5.002 4.865 0.137 1
1 281 . 10 1 1 A 27 27 SER C C 27 169.729 172.469 -2.740 1
1 282 . 10 1 1 A 27 27 SER CA C 27 52.526 56.072 -3.546 1
1 283 . 10 1 1 A 27 27 SER CB C 27 61.215 63.629 -2.414 1
1 284 . 10 1 1 A 27 27 SER N N 27 114.134 115.954 -1.820 1
1 285 . 10 1 1 A 28 28 PRO HA H 28 4.553 4.645 -0.092 1
1 292 . 10 1 1 A 28 28 PRO C C 28 174.448 175.595 -1.147 1
1 293 . 10 1 1 A 28 28 PRO CA C 28 60.482 62.551 -2.069 1
1 294 . 10 1 1 A 28 28 PRO CB C 28 29.224 32.724 -3.500 1
1 297 . 10 1 1 A 29 29 VAL H H 29 9.191 8.493 0.698 1
1 298 . 10 1 1 A 29 29 VAL HA H 29 3.946 4.475 -0.529 1
1 306 . 10 1 1 A 29 29 VAL C C 29 172.641 174.528 -1.887 1
1 307 . 10 1 1 A 29 29 VAL CA C 29 60.367 60.941 -0.574 1
1 308 . 10 1 1 A 29 29 VAL CB C 29 30.546 33.802 -3.256 1
1 311 . 10 1 1 A 29 29 VAL N N 29 123.735 121.295 2.440 1
1 312 . 10 1 1 A 30 30 VAL H H 30 8.169 8.887 -0.718 1
1 313 . 10 1 1 A 30 30 VAL HA H 30 4.940 4.994 -0.054 1
1 321 . 10 1 1 A 30 30 VAL C C 30 173.560 174.324 -0.764 1
1 322 . 10 1 1 A 30 30 VAL CA C 30 58.568 61.055 -2.487 1
1 323 . 10 1 1 A 30 30 VAL CB C 30 30.303 33.023 -2.720 1
1 326 . 10 1 1 A 30 30 VAL N N 30 125.255 129.935 -4.680 1
1 327 . 10 1 1 A 31 31 LEU H H 31 8.889 8.546 0.343 1
1 328 . 10 1 1 A 31 31 LEU HA H 31 4.816 4.734 0.082 1
1 338 . 10 1 1 A 31 31 LEU C C 31 171.113 174.758 -3.645 1
1 339 . 10 1 1 A 31 31 LEU CA C 31 48.760 52.419 -3.659 1
1 340 . 10 1 1 A 31 31 LEU CB C 31 40.938 41.795 -0.857 1
1 344 . 10 1 1 A 31 31 LEU N N 31 127.017 130.914 -3.897 1
1 345 . 10 1 1 A 32 32 PRO HA H 32 4.531 4.696 -0.165 1
1 352 . 10 1 1 A 32 32 PRO C C 32 174.294 177.589 -3.295 1
1 353 . 10 1 1 A 32 32 PRO CA C 32 59.648 62.797 -3.149 1
1 354 . 10 1 1 A 32 32 PRO CB C 32 29.349 31.662 -2.313 1
1 357 . 10 1 1 A 33 33 TYR H H 33 8.105 8.706 -0.601 1
1 358 . 10 1 1 A 33 33 TYR HA H 33 3.788 3.962 -0.174 1
1 365 . 10 1 1 A 33 33 TYR C C 33 173.470 177.182 -3.712 1
1 366 . 10 1 1 A 33 33 TYR CA C 33 58.159 62.296 -4.137 1
1 367 . 10 1 1 A 33 33 TYR CB C 33 36.244 38.976 -2.732 1
1 372 . 10 1 1 A 33 33 TYR N N 33 120.060 126.264 -6.204 1
1 373 . 10 1 1 A 34 34 SER H H 34 7.868 8.321 -0.453 1
1 374 . 10 1 1 A 34 34 SER HA H 34 3.814 4.278 -0.464 1
1 377 . 10 1 1 A 34 34 SER C C 34 171.946 174.459 -2.513 1
1 378 . 10 1 1 A 34 34 SER CA C 34 58.212 61.333 -3.121 1
1 379 . 10 1 1 A 34 34 SER CB C 34 60.928 63.171 -2.243 1
1 380 . 10 1 1 A 34 34 SER N N 34 116.733 114.433 2.300 1
1 381 . 10 1 1 A 35 35 ARG H H 35 7.883 8.456 -0.573 1
1 382 . 10 1 1 A 35 35 ARG HA H 35 4.575 4.612 -0.037 1
1 389 . 10 1 1 A 35 35 ARG C C 35 172.091 174.540 -2.449 1
1 390 . 10 1 1 A 35 35 ARG CA C 35 52.067 54.901 -2.834 1
1 391 . 10 1 1 A 35 35 ARG CB C 35 28.228 31.067 -2.839 1
1 394 . 10 1 1 A 35 35 ARG N N 35 125.492 118.893 6.599 1
1 395 . 10 1 1 A 36 36 THR H H 36 7.874 8.538 -0.664 1
1 396 . 10 1 1 A 36 36 THR HA H 36 4.613 5.353 -0.740 1
1 401 . 10 1 1 A 36 36 THR C C 36 173.095 173.190 -0.095 1
1 402 . 10 1 1 A 36 36 THR CA C 36 57.029 60.552 -3.523 1
1 403 . 10 1 1 A 36 36 THR CB C 36 66.113 70.695 -4.582 1
1 405 . 10 1 1 A 36 36 THR N N 36 107.510 113.995 -6.485 1
1 406 . 10 1 1 A 37 37 THR H H 37 8.804 8.443 0.361 1
1 407 . 10 1 1 A 37 37 THR HA H 37 5.288 4.626 0.662 1
1 412 . 10 1 1 A 37 37 THR C C 37 174.234 174.373 -0.139 1
1 413 . 10 1 1 A 37 37 THR CA C 37 59.681 60.952 -1.271 1
1 414 . 10 1 1 A 37 37 THR CB C 37 70.032 71.302 -1.270 1
1 416 . 10 1 1 A 37 37 THR N N 37 112.714 117.087 -4.373 1
1 417 . 10 1 1 A 38 38 VAL H H 38 8.269 8.958 -0.689 1
1 418 . 10 1 1 A 38 38 VAL HA H 38 3.485 3.605 -0.120 1
1 426 . 10 1 1 A 38 38 VAL C C 38 175.909 177.188 -1.279 1
1 427 . 10 1 1 A 38 38 VAL CA C 38 64.496 66.848 -2.352 1
1 428 . 10 1 1 A 38 38 VAL CB C 38 29.015 31.586 -2.571 1
1 431 . 10 1 1 A 38 38 VAL N N 38 121.372 122.808 -1.436 1
1 432 . 10 1 1 A 39 39 GLU H H 39 8.597 8.250 0.347 1
1 433 . 10 1 1 A 39 39 GLU HA H 39 3.495 3.860 -0.365 1
1 438 . 10 1 1 A 39 39 GLU C C 39 174.769 178.414 -3.645 1
1 439 . 10 1 1 A 39 39 GLU CA C 39 58.418 59.013 -0.595 1
1 440 . 10 1 1 A 39 39 GLU CB C 39 27.358 29.242 -1.884 1
1 442 . 10 1 1 A 39 39 GLU N N 39 121.954 119.201 2.753 1
1 443 . 10 1 1 A 40 40 ASP H H 40 7.493 8.188 -0.695 1
1 444 . 10 1 1 A 40 40 ASP HA H 40 4.071 4.379 -0.308 1
1 447 . 10 1 1 A 40 40 ASP C C 40 176.738 178.337 -1.599 1
1 448 . 10 1 1 A 40 40 ASP CA C 40 55.877 57.139 -1.262 1
1 449 . 10 1 1 A 40 40 ASP CB C 40 38.721 41.245 -2.524 1
1 450 . 10 1 1 A 40 40 ASP N N 40 119.054 120.277 -1.223 1
1 451 . 10 1 1 A 41 41 PHE H H 41 8.429 8.268 0.161 1
1 452 . 10 1 1 A 41 41 PHE HA H 41 3.750 4.128 -0.378 1
1 460 . 10 1 1 A 41 41 PHE C C 41 173.786 177.202 -3.416 1
1 461 . 10 1 1 A 41 41 PHE CA C 41 59.851 61.101 -1.250 1
1 462 . 10 1 1 A 41 41 PHE CB C 41 36.135 38.786 -2.651 1
1 468 . 10 1 1 A 41 41 PHE N N 41 121.017 119.734 1.283 1
1 469 . 10 1 1 A 42 42 CYS H H 42 8.527 8.207 0.320 1
1 470 . 10 1 1 A 42 42 CYS HA H 42 3.752 4.336 -0.584 1
1 473 . 10 1 1 A 42 42 CYS C C 42 174.065 177.577 -3.512 1
1 474 . 10 1 1 A 42 42 CYS CA C 42 62.453 62.185 0.268 1
1 475 . 10 1 1 A 42 42 CYS CB C 42 24.429 26.743 -2.314 1
1 476 . 10 1 1 A 42 42 CYS N N 42 116.390 117.129 -0.739 1
1 477 . 10 1 1 A 43 43 MET H H 43 7.739 7.932 -0.193 1
1 478 . 10 1 1 A 43 43 MET HA H 43 3.885 4.140 -0.255 1
1 486 . 10 1 1 A 43 43 MET C C 43 175.345 178.773 -3.428 1
1 487 . 10 1 1 A 43 43 MET CA C 43 54.460 58.365 -3.905 1
1 488 . 10 1 1 A 43 43 MET CB C 43 28.872 32.738 -3.866 1
1 491 . 10 1 1 A 43 43 MET N N 43 114.377 119.605 -5.228 1
1 492 . 10 1 1 A 44 44 LYS H H 44 7.257 7.805 -0.548 1
1 493 . 10 1 1 A 44 44 LYS HA H 44 3.896 3.924 -0.028 1
1 502 . 10 1 1 A 44 44 LYS C C 44 175.198 178.781 -3.583 1
1 503 . 10 1 1 A 44 44 LYS CA C 44 54.181 58.988 -4.807 1
1 504 . 10 1 1 A 44 44 LYS CB C 44 29.291 32.371 -3.080 1
1 508 . 10 1 1 A 44 44 LYS N N 44 117.480 118.369 -0.889 1
1 509 . 10 1 1 A 45 45 ILE H H 45 7.146 7.412 -0.266 1
1 510 . 10 1 1 A 45 45 ILE HA H 45 3.697 3.943 -0.246 1
1 520 . 10 1 1 A 45 45 ILE C C 45 174.894 176.077 -1.183 1
1 521 . 10 1 1 A 45 45 ILE CA C 45 59.954 63.675 -3.721 1
1 522 . 10 1 1 A 45 45 ILE CB C 45 33.943 38.604 -4.661 1
1 526 . 10 1 1 A 45 45 ILE N N 45 119.267 117.646 1.621 1
1 527 . 10 1 1 A 46 46 HIS H H 46 7.982 7.809 0.173 1
1 528 . 10 1 1 A 46 46 HIS HA H 46 4.200 4.779 -0.579 1
1 533 . 10 1 1 A 46 46 HIS C C 46 173.349 174.881 -1.532 1
1 534 . 10 1 1 A 46 46 HIS CA C 46 56.363 55.422 0.941 1
1 535 . 10 1 1 A 46 46 HIS CB C 46 30.998 33.126 -2.128 1
1 538 . 10 1 1 A 46 46 HIS N N 46 116.498 117.210 -0.712 1
1 539 . 10 1 1 A 47 47 LYS H H 47 8.478 8.588 -0.110 1
1 540 . 10 1 1 A 47 47 LYS HA H 47 4.091 3.969 0.122 1
1 545 . 10 1 1 A 47 47 LYS C C 47 174.519 177.219 -2.700 1
1 546 . 10 1 1 A 47 47 LYS CA C 47 57.279 58.769 -1.490 1
1 547 . 10 1 1 A 47 47 LYS CB C 47 29.709 32.008 -2.299 1
1 551 . 10 1 1 A 47 47 LYS N N 47 127.686 125.075 2.611 1
1 552 . 10 1 1 A 48 48 ASN H H 48 10.623 7.606 3.017 1
1 553 . 10 1 1 A 48 48 ASN HA H 48 4.839 5.010 -0.171 1
1 558 . 10 1 1 A 48 48 ASN C C 48 175.138 175.925 -0.787 1
1 559 . 10 1 1 A 48 48 ASN CA C 48 50.960 52.166 -1.206 1
1 560 . 10 1 1 A 48 48 ASN CB C 48 36.975 39.167 -2.192 1
1 561 . 10 1 1 A 48 48 ASN N N 48 118.711 117.277 1.434 1
1 563 . 10 1 1 A 49 49 LEU H H 49 7.796 7.423 0.373 1
1 564 . 10 1 1 A 49 49 LEU HA H 49 4.103 4.325 -0.222 1
1 574 . 10 1 1 A 49 49 LEU C C 49 176.976 178.277 -1.301 1
1 575 . 10 1 1 A 49 49 LEU CA C 49 56.381 57.205 -0.824 1
1 576 . 10 1 1 A 49 49 LEU CB C 49 39.064 42.677 -3.613 1
1 580 . 10 1 1 A 49 49 LEU N N 49 124.676 122.499 2.177 1
1 581 . 10 1 1 A 50 50 ILE H H 50 9.052 8.008 1.044 1
1 582 . 10 1 1 A 50 50 ILE HA H 50 4.060 3.846 0.214 1
1 592 . 10 1 1 A 50 50 ILE C C 50 173.983 177.714 -3.731 1
1 593 . 10 1 1 A 50 50 ILE CA C 50 57.842 64.109 -6.267 1
1 594 . 10 1 1 A 50 50 ILE CB C 50 35.943 37.838 -1.895 1
1 598 . 10 1 1 A 50 50 ILE N N 50 116.565 119.193 -2.628 1
1 599 . 10 1 1 A 51 51 LYS H H 51 7.275 8.069 -0.794 1
1 600 . 10 1 1 A 51 51 LYS HA H 51 4.143 3.876 0.267 1
1 609 . 10 1 1 A 51 51 LYS C C 51 175.668 178.818 -3.150 1
1 610 . 10 1 1 A 51 51 LYS CA C 51 55.696 60.431 -4.735 1
1 611 . 10 1 1 A 51 51 LYS CB C 51 29.767 32.100 -2.333 1
1 615 . 10 1 1 A 51 51 LYS N N 51 119.864 122.568 -2.704 1
1 616 . 10 1 1 A 52 52 GLU H H 52 7.590 7.782 -0.192 1
1 617 . 10 1 1 A 52 52 GLU HA H 52 4.319 4.357 -0.038 1
1 622 . 10 1 1 A 52 52 GLU C C 52 173.088 176.677 -3.589 1
1 623 . 10 1 1 A 52 52 GLU CA C 52 53.301 56.924 -3.623 1
1 624 . 10 1 1 A 52 52 GLU CB C 52 28.778 30.438 -1.660 1
1 626 . 10 1 1 A 52 52 GLU N N 52 116.453 116.384 0.069 1
1 627 . 10 1 1 A 53 53 PHE H H 53 7.423 8.036 -0.613 1
1 628 . 10 1 1 A 53 53 PHE HA H 53 3.608 4.376 -0.768 1
1 636 . 10 1 1 A 53 53 PHE C C 53 170.946 175.240 -4.294 1
1 637 . 10 1 1 A 53 53 PHE CA C 53 57.983 59.749 -1.766 1
1 638 . 10 1 1 A 53 53 PHE CB C 53 38.913 39.803 -0.890 1
1 644 . 10 1 1 A 53 53 PHE N N 53 120.950 123.154 -2.204 1
1 645 . 10 1 1 A 54 54 LYS H H 54 8.385 8.272 0.113 1
1 646 . 10 1 1 A 54 54 LYS HA H 54 4.268 4.189 0.079 1
1 655 . 10 1 1 A 54 54 LYS C C 54 173.038 175.168 -2.130 1
1 656 . 10 1 1 A 54 54 LYS CA C 54 55.263 57.013 -1.750 1
1 657 . 10 1 1 A 54 54 LYS CB C 54 32.730 34.712 -1.982 1
1 661 . 10 1 1 A 54 54 LYS N N 54 128.686 126.495 2.191 1
1 662 . 10 1 1 A 55 55 TYR H H 55 7.083 7.146 -0.063 1
1 663 . 10 1 1 A 55 55 TYR HA H 55 4.120 4.769 -0.649 1
1 670 . 10 1 1 A 55 55 TYR C C 55 168.503 173.244 -4.741 1
1 671 . 10 1 1 A 55 55 TYR CA C 55 55.198 55.890 -0.692 1
1 672 . 10 1 1 A 55 55 TYR CB C 55 35.633 40.140 -4.507 1
1 677 . 10 1 1 A 55 55 TYR N N 55 110.963 113.049 -2.086 1
1 678 . 10 1 1 A 56 56 ALA H H 56 8.836 8.735 0.101 1
1 679 . 10 1 1 A 56 56 ALA HA H 56 5.293 5.337 -0.044 1
1 683 . 10 1 1 A 56 56 ALA C C 56 172.993 175.969 -2.976 1
1 684 . 10 1 1 A 56 56 ALA CA C 56 47.088 50.720 -3.632 1
1 685 . 10 1 1 A 56 56 ALA CB C 56 20.287 22.772 -2.485 1
1 686 . 10 1 1 A 56 56 ALA N N 56 118.379 122.019 -3.640 1
1 687 . 10 1 1 A 57 57 LEU H H 57 8.880 8.817 0.063 1
1 688 . 10 1 1 A 57 57 LEU HA H 57 4.854 4.690 0.164 1
1 698 . 10 1 1 A 57 57 LEU C C 57 172.904 175.345 -2.441 1
1 699 . 10 1 1 A 57 57 LEU CA C 57 50.872 53.184 -2.312 1
1 700 . 10 1 1 A 57 57 LEU CB C 57 42.160 41.953 0.207 1
1 704 . 10 1 1 A 57 57 LEU N N 57 121.382 122.522 -1.140 1
1 705 . 10 1 1 A 58 58 VAL H H 58 8.123 7.921 0.202 1
1 706 . 10 1 1 A 58 58 VAL HA H 58 5.243 4.414 0.829 1
1 714 . 10 1 1 A 58 58 VAL C C 58 171.929 175.065 -3.136 1
1 715 . 10 1 1 A 58 58 VAL CA C 58 57.683 61.682 -3.999 1
1 716 . 10 1 1 A 58 58 VAL CB C 58 33.036 32.136 0.900 1
1 719 . 10 1 1 A 58 58 VAL N N 58 120.400 124.958 -4.558 1
1 720 . 10 1 1 A 59 59 TRP H H 59 9.316 8.769 0.547 1
1 721 . 10 1 1 A 59 59 TRP HA H 59 4.843 5.247 -0.404 1
1 730 . 10 1 1 A 59 59 TRP C C 59 173.582 176.597 -3.015 1
1 731 . 10 1 1 A 59 59 TRP CA C 59 54.736 54.987 -0.251 1
1 732 . 10 1 1 A 59 59 TRP CB C 59 30.514 30.748 -0.234 1
1 738 . 10 1 1 A 59 59 TRP N N 59 127.196 127.875 -0.679 1
1 740 . 10 1 1 A 60 60 GLY H H 60 8.531 8.405 0.126 1
1 741 . 10 1 1 A 60 60 GLY HA2 H 60 4.934 4.283 0.651 1
1 742 . 10 1 1 A 60 60 GLY HA3 H 60 4.123 4.286 -0.163 1
1 743 . 10 1 1 A 60 60 GLY C C 60 171.378 173.926 -2.548 1
1 744 . 10 1 1 A 60 60 GLY CA C 60 42.587 46.072 -3.485 1
1 745 . 10 1 1 A 60 60 GLY N N 60 110.481 110.483 -0.002 1
1 746 . 10 1 1 A 61 61 LEU H H 61 8.188 8.890 -0.702 1
1 747 . 10 1 1 A 61 61 LEU HA H 61 4.141 3.991 0.150 1
1 757 . 10 1 1 A 61 61 LEU C C 61 176.897 178.914 -2.017 1
1 758 . 10 1 1 A 61 61 LEU CA C 61 54.357 57.386 -3.029 1
1 759 . 10 1 1 A 61 61 LEU CB C 61 39.942 41.656 -1.714 1
1 763 . 10 1 1 A 61 61 LEU N N 61 118.667 120.295 -1.628 1
1 764 . 10 1 1 A 62 62 SER H H 62 8.123 8.022 0.101 1
1 765 . 10 1 1 A 62 62 SER HA H 62 4.284 4.244 0.040 1
1 768 . 10 1 1 A 62 62 SER C C 62 171.932 174.797 -2.865 1
1 769 . 10 1 1 A 62 62 SER CA C 62 57.279 61.837 -4.558 1
1 770 . 10 1 1 A 62 62 SER CB C 62 60.354 62.951 -2.597 1
1 771 . 10 1 1 A 62 62 SER N N 62 110.946 113.361 -2.415 1
1 772 . 10 1 1 A 63 63 VAL H H 63 7.174 7.769 -0.595 1
1 773 . 10 1 1 A 63 63 VAL HA H 63 4.503 4.549 -0.046 1
1 781 . 10 1 1 A 63 63 VAL C C 63 173.221 175.755 -2.534 1
1 782 . 10 1 1 A 63 63 VAL CA C 63 57.573 59.431 -1.858 1
1 783 . 10 1 1 A 63 63 VAL CB C 63 31.826 34.255 -2.429 1
1 786 . 10 1 1 A 63 63 VAL N N 63 114.625 117.544 -2.919 1
1 787 . 10 1 1 A 64 64 LYS H H 64 8.112 8.725 -0.613 1
1 788 . 10 1 1 A 64 64 LYS HA H 64 4.105 4.210 -0.105 1
1 796 . 10 1 1 A 64 64 LYS C C 64 174.259 176.757 -2.498 1
1 797 . 10 1 1 A 64 64 LYS CA C 64 54.586 57.770 -3.184 1
1 798 . 10 1 1 A 64 64 LYS CB C 64 30.837 32.972 -2.135 1
1 802 . 10 1 1 A 64 64 LYS N N 64 119.722 122.606 -2.884 1
1 803 . 10 1 1 A 65 65 HIS H H 65 7.496 7.833 -0.337 1
1 804 . 10 1 1 A 65 65 HIS HA H 65 4.497 5.250 -0.753 1
1 809 . 10 1 1 A 65 65 HIS C C 65 170.028 174.346 -4.318 1
1 810 . 10 1 1 A 65 65 HIS CA C 65 52.491 54.589 -2.098 1
1 811 . 10 1 1 A 65 65 HIS CB C 65 29.149 32.517 -3.368 1
1 814 . 10 1 1 A 65 65 HIS N N 65 117.336 115.218 2.118 1
1 815 . 10 1 1 A 66 66 ASN H H 66 8.135 9.137 -1.002 1
1 816 . 10 1 1 A 66 66 ASN HA H 66 4.986 5.298 -0.312 1
1 821 . 10 1 1 A 66 66 ASN C C 66 171.088 172.840 -1.752 1
1 822 . 10 1 1 A 66 66 ASN CA C 66 47.732 50.203 -2.471 1
1 823 . 10 1 1 A 66 66 ASN CB C 66 39.365 40.844 -1.479 1
1 824 . 10 1 1 A 66 66 ASN N N 66 118.616 120.468 -1.852 1
1 826 . 10 1 1 A 67 67 PRO HA H 67 4.408 4.360 0.048 1
1 833 . 10 1 1 A 67 67 PRO C C 67 173.325 175.253 -1.928 1
1 834 . 10 1 1 A 67 67 PRO CA C 67 60.535 62.594 -2.059 1
1 835 . 10 1 1 A 67 67 PRO CB C 67 31.065 32.556 -1.491 1
1 838 . 10 1 1 A 68 68 GLN H H 68 8.323 8.264 0.059 1
1 839 . 10 1 1 A 68 68 GLN HA H 68 4.295 4.615 -0.320 1
1 846 . 10 1 1 A 68 68 GLN C C 68 172.005 174.599 -2.594 1
1 847 . 10 1 1 A 68 68 GLN CA C 68 51.805 54.733 -2.928 1
1 848 . 10 1 1 A 68 68 GLN CB C 68 30.014 31.867 -1.853 1
1 850 . 10 1 1 A 68 68 GLN N N 68 118.089 121.134 -3.045 1
1 852 . 10 1 1 A 69 69 LYS H H 69 8.268 8.422 -0.154 1
1 853 . 10 1 1 A 69 69 LYS HA H 69 4.907 4.505 0.402 1
1 862 . 10 1 1 A 69 69 LYS C C 69 174.226 176.288 -2.062 1
1 863 . 10 1 1 A 69 69 LYS CA C 69 53.598 56.424 -2.826 1
1 864 . 10 1 1 A 69 69 LYS CB C 69 30.096 32.686 -2.590 1
1 868 . 10 1 1 A 69 69 LYS N N 69 125.766 127.693 -1.927 1
1 869 . 10 1 1 A 70 70 VAL H H 70 9.409 9.187 0.222 1
1 870 . 10 1 1 A 70 70 VAL HA H 70 4.723 4.991 -0.268 1
1 878 . 10 1 1 A 70 70 VAL C C 70 172.498 175.707 -3.209 1
1 879 . 10 1 1 A 70 70 VAL CA C 70 56.680 59.980 -3.300 1
1 880 . 10 1 1 A 70 70 VAL CB C 70 33.332 33.947 -0.615 1
1 883 . 10 1 1 A 70 70 VAL N N 70 120.660 121.417 -0.757 1
1 884 . 10 1 1 A 71 71 GLY H H 71 8.445 8.712 -0.267 1
1 885 . 10 1 1 A 71 71 GLY HA2 H 71 4.961 4.394 0.567 1
1 886 . 10 1 1 A 71 71 GLY HA3 H 71 3.898 4.515 -0.617 1
1 887 . 10 1 1 A 71 71 GLY C C 71 172.669 174.927 -2.258 1
1 888 . 10 1 1 A 71 71 GLY CA C 71 40.896 43.989 -3.093 1
1 889 . 10 1 1 A 71 71 GLY N N 71 106.755 109.636 -2.881 1
1 890 . 10 1 1 A 72 72 LYS H H 72 8.573 9.021 -0.448 1
1 891 . 10 1 1 A 72 72 LYS HA H 72 3.454 3.830 -0.376 1
1 900 . 10 1 1 A 72 72 LYS C C 72 172.853 178.504 -5.651 1
1 901 . 10 1 1 A 72 72 LYS CA C 72 56.108 58.679 -2.571 1
1 902 . 10 1 1 A 72 72 LYS CB C 72 29.993 31.940 -1.947 1
1 906 . 10 1 1 A 72 72 LYS N N 72 114.685 118.812 -4.127 1
1 907 . 10 1 1 A 73 73 ASP H H 73 8.517 7.820 0.697 1
1 908 . 10 1 1 A 73 73 ASP HA H 73 4.543 4.460 0.083 1
1 911 . 10 1 1 A 73 73 ASP C C 73 173.041 176.847 -3.806 1
1 912 . 10 1 1 A 73 73 ASP CA C 73 51.118 56.452 -5.334 1
1 913 . 10 1 1 A 73 73 ASP CB C 73 38.311 40.623 -2.312 1
1 914 . 10 1 1 A 73 73 ASP N N 73 115.449 120.330 -4.881 1
1 915 . 10 1 1 A 74 74 HIS H H 74 7.173 7.322 -0.149 1
1 916 . 10 1 1 A 74 74 HIS HA H 74 4.084 4.296 -0.212 1
1 921 . 10 1 1 A 74 74 HIS C C 74 172.466 174.925 -2.459 1
1 922 . 10 1 1 A 74 74 HIS CA C 74 55.483 57.834 -2.351 1
1 923 . 10 1 1 A 74 74 HIS CB C 74 29.868 30.689 -0.821 1
1 926 . 10 1 1 A 74 74 HIS N N 74 120.387 119.713 0.674 1
1 927 . 10 1 1 A 75 75 THR H H 75 7.573 8.244 -0.671 1
1 928 . 10 1 1 A 75 75 THR HA H 75 3.562 4.325 -0.763 1
1 933 . 10 1 1 A 75 75 THR C C 75 170.555 174.183 -3.628 1
1 934 . 10 1 1 A 75 75 THR CA C 75 61.656 62.421 -0.765 1
1 935 . 10 1 1 A 75 75 THR CB C 75 66.449 69.426 -2.977 1
1 937 . 10 1 1 A 75 75 THR N N 75 123.519 120.235 3.284 1
1 938 . 10 1 1 A 76 76 LEU H H 76 8.300 8.629 -0.329 1
1 939 . 10 1 1 A 76 76 LEU HA H 76 4.187 4.532 -0.345 1
1 949 . 10 1 1 A 76 76 LEU C C 76 174.153 176.567 -2.414 1
1 950 . 10 1 1 A 76 76 LEU CA C 76 52.201 54.601 -2.400 1
1 951 . 10 1 1 A 76 76 LEU CB C 76 40.188 42.311 -2.123 1
1 955 . 10 1 1 A 76 76 LEU N N 76 127.705 127.985 -0.280 1
1 956 . 10 1 1 A 77 77 GLU H H 77 9.006 8.682 0.324 1
1 957 . 10 1 1 A 77 77 GLU HA H 77 4.295 4.658 -0.363 1
1 962 . 10 1 1 A 77 77 GLU C C 77 172.035 175.853 -3.818 1
1 963 . 10 1 1 A 77 77 GLU CA C 77 51.734 54.422 -2.688 1
1 964 . 10 1 1 A 77 77 GLU CB C 77 30.671 31.991 -1.320 1
1 966 . 10 1 1 A 77 77 GLU N N 77 120.330 122.922 -2.592 1
1 967 . 10 1 1 A 78 78 ASP H H 78 8.375 8.736 -0.361 1
1 968 . 10 1 1 A 78 78 ASP HA H 78 4.289 4.480 -0.191 1
1 971 . 10 1 1 A 78 78 ASP C C 78 174.522 176.005 -1.483 1
1 972 . 10 1 1 A 78 78 ASP CA C 78 54.779 54.925 -0.146 1
1 973 . 10 1 1 A 78 78 ASP CB C 78 39.200 40.714 -1.514 1
1 974 . 10 1 1 A 78 78 ASP N N 78 116.751 122.144 -5.393 1
1 975 . 10 1 1 A 79 79 GLU H H 79 9.867 9.269 0.598 1
1 976 . 10 1 1 A 79 79 GLU HA H 79 3.685 3.954 -0.269 1
1 981 . 10 1 1 A 79 79 GLU C C 79 172.755 174.507 -1.752 1
1 982 . 10 1 1 A 79 79 GLU CA C 79 57.384 57.384 0.000 1
1 983 . 10 1 1 A 79 79 GLU CB C 79 24.429 27.617 -3.188 1
1 985 . 10 1 1 A 79 79 GLU N N 79 119.409 116.684 2.725 1
1 986 . 10 1 1 A 80 80 ASP H H 80 8.212 7.442 0.770 1
1 987 . 10 1 1 A 80 80 ASP HA H 80 4.833 5.420 -0.587 1
1 990 . 10 1 1 A 80 80 ASP C C 80 171.935 174.753 -2.818 1
1 991 . 10 1 1 A 80 80 ASP CA C 80 53.900 52.926 0.974 1
1 992 . 10 1 1 A 80 80 ASP CB C 80 39.633 44.453 -4.820 1
1 993 . 10 1 1 A 80 80 ASP N N 80 121.227 118.667 2.560 1
1 994 . 10 1 1 A 81 81 VAL H H 81 8.638 9.020 -0.382 1
1 995 . 10 1 1 A 81 81 VAL HA H 81 5.055 5.315 -0.260 1
1 1003 . 10 1 1 A 81 81 VAL C C 81 172.826 175.107 -2.281 1
1 1004 . 10 1 1 A 81 81 VAL CA C 81 57.723 62.047 -4.324 1
1 1005 . 10 1 1 A 81 81 VAL CB C 81 31.767 33.166 -1.399 1
1 1008 . 10 1 1 A 81 81 VAL N N 81 118.946 125.945 -6.999 1
1 1009 . 10 1 1 A 82 82 ILE H H 82 9.007 8.912 0.095 1
1 1010 . 10 1 1 A 82 82 ILE HA H 82 5.789 5.198 0.591 1
1 1020 . 10 1 1 A 82 82 ILE C C 82 170.143 173.387 -3.244 1
1 1021 . 10 1 1 A 82 82 ILE CA C 82 55.824 59.250 -3.426 1
1 1022 . 10 1 1 A 82 82 ILE CB C 82 41.574 42.216 -0.642 1
1 1026 . 10 1 1 A 82 82 ILE N N 82 124.391 129.131 -4.740 1
1 1027 . 10 1 1 A 83 83 GLN H H 83 9.415 8.809 0.606 1
1 1028 . 10 1 1 A 83 83 GLN HA H 83 4.815 4.954 -0.139 1
1 1035 . 10 1 1 A 83 83 GLN C C 83 172.719 174.536 -1.817 1
1 1036 . 10 1 1 A 83 83 GLN CA C 83 52.016 54.921 -2.905 1
1 1037 . 10 1 1 A 83 83 GLN CB C 83 32.094 31.384 0.710 1
1 1039 . 10 1 1 A 83 83 GLN N N 83 127.774 126.634 1.140 1
1 1041 . 10 1 1 A 84 84 ILE H H 84 8.878 8.691 0.187 1
1 1042 . 10 1 1 A 84 84 ILE HA H 84 4.074 4.450 -0.376 1
1 1052 . 10 1 1 A 84 84 ILE C C 84 173.096 175.778 -2.682 1
1 1053 . 10 1 1 A 84 84 ILE CA C 84 57.372 61.264 -3.892 1
1 1054 . 10 1 1 A 84 84 ILE CB C 84 34.771 37.435 -2.664 1
1 1058 . 10 1 1 A 84 84 ILE N N 84 126.673 126.800 -0.127 1
1 1059 . 10 1 1 A 85 85 VAL H H 85 8.562 8.353 0.209 1
1 1060 . 10 1 1 A 85 85 VAL HA H 85 3.914 4.819 -0.905 1
1 1068 . 10 1 1 A 85 85 VAL C C 85 172.438 174.431 -1.993 1
1 1069 . 10 1 1 A 85 85 VAL CA C 85 60.112 59.490 0.622 1
1 1070 . 10 1 1 A 85 85 VAL CB C 85 28.964 33.216 -4.252 1
1 1073 . 10 1 1 A 85 85 VAL N N 85 130.400 123.181 7.219 1
1 1074 . 10 1 1 A 86 86 LYS H H 86 8.399 8.575 -0.176 1
1 1075 . 10 1 1 A 86 86 LYS HA H 86 4.640 4.607 0.033 1
1 1084 . 10 1 1 A 86 86 LYS C C 86 174.388 176.420 -2.032 1
1 1085 . 10 1 1 A 86 86 LYS CA C 86 53.301 54.440 -1.139 1
1 1086 . 10 1 1 A 86 86 LYS CB C 86 32.587 34.448 -1.861 1
1 1090 . 10 1 1 A 86 86 LYS N N 86 126.582 123.234 3.348 1
1 1091 . 10 1 1 A 87 87 LYS H H 87 8.485 8.357 0.128 1
1 1092 . 10 1 1 A 87 87 LYS HA H 87 3.923 4.072 -0.149 1
1 1101 . 10 1 1 A 87 87 LYS C C 87 174.196 176.028 -1.832 1
1 1102 . 10 1 1 A 87 87 LYS CA C 87 55.171 57.464 -2.293 1
1 1103 . 10 1 1 A 87 87 LYS CB C 87 31.274 33.096 -1.822 1
1 1107 . 10 1 1 A 87 87 LYS N N 87 119.203 124.464 -5.261 1
1 1108 . 10 1 1 A 89 89 GLY HA2 H 89 4.034 4.226 -0.192 1
1 1109 . 10 1 1 A 89 89 GLY HA3 H 89 4.034 4.227 -0.193 1
1 1110 . 10 1 1 A 89 89 GLY CA C 89 42.366 44.258 -1.892 1
1 1111 . 10 1 1 A 90 90 PRO HA H 90 4.369 4.506 -0.137 1
1 1118 . 10 1 1 A 90 90 PRO CA C 90 61.070 63.966 -2.896 1
1 1119 . 10 1 1 A 90 90 PRO CB C 90 29.818 31.708 -1.890 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.759 3.761 -0.002 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.759 3.959 -0.200 1
1 3 . 11 1 1 A 7 7 GLY C C 7 171.455 174.745 -3.290 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 42.980 44.600 -1.620 1
1 5 . 11 1 1 A 8 8 TYR H H 8 7.813 7.398 0.415 1
1 6 . 11 1 1 A 8 8 TYR HA H 8 4.391 4.614 -0.223 1
1 13 . 11 1 1 A 8 8 TYR C C 8 173.043 175.829 -2.786 1
1 14 . 11 1 1 A 8 8 TYR CA C 8 55.501 57.837 -2.336 1
1 15 . 11 1 1 A 8 8 TYR CB C 8 36.317 38.802 -2.485 1
1 20 . 11 1 1 A 8 8 TYR N N 8 119.411 123.882 -4.471 1
1 21 . 11 1 1 A 9 9 LEU H H 9 7.861 7.537 0.324 1
1 22 . 11 1 1 A 9 9 LEU HA H 9 4.118 4.389 -0.271 1
1 32 . 11 1 1 A 9 9 LEU C C 9 173.714 175.848 -2.134 1
1 33 . 11 1 1 A 9 9 LEU CA C 9 52.544 54.518 -1.974 1
1 34 . 11 1 1 A 9 9 LEU CB C 9 40.106 41.447 -1.341 1
1 38 . 11 1 1 A 9 9 LEU N N 9 123.594 123.497 0.097 1
1 39 . 11 1 1 A 10 10 LYS H H 10 7.976 8.795 -0.819 1
1 40 . 11 1 1 A 10 10 LYS HA H 10 4.108 4.578 -0.470 1
1 49 . 11 1 1 A 10 10 LYS C C 10 172.845 175.751 -2.906 1
1 50 . 11 1 1 A 10 10 LYS CA C 10 54.150 55.884 -1.734 1
1 51 . 11 1 1 A 10 10 LYS CB C 10 30.736 33.402 -2.666 1
1 55 . 11 1 1 A 10 10 LYS N N 10 122.047 128.554 -6.507 1
1 56 . 11 1 1 A 11 11 LEU H H 11 8.102 8.500 -0.398 1
1 57 . 11 1 1 A 11 11 LEU HA H 11 4.711 5.172 -0.461 1
1 67 . 11 1 1 A 11 11 LEU C C 11 173.849 176.337 -2.488 1
1 68 . 11 1 1 A 11 11 LEU CA C 11 51.523 53.351 -1.828 1
1 69 . 11 1 1 A 11 11 LEU CB C 11 41.767 43.990 -2.223 1
1 73 . 11 1 1 A 11 11 LEU N N 11 123.872 125.317 -1.445 1
1 74 . 11 1 1 A 12 12 VAL H H 12 8.956 8.924 0.032 1
1 75 . 11 1 1 A 12 12 VAL HA H 12 4.044 4.705 -0.661 1
1 83 . 11 1 1 A 12 12 VAL C C 12 171.356 175.399 -4.043 1
1 84 . 11 1 1 A 12 12 VAL CA C 12 59.549 61.708 -2.159 1
1 85 . 11 1 1 A 12 12 VAL CB C 12 31.500 34.115 -2.615 1
1 88 . 11 1 1 A 12 12 VAL N N 12 122.036 123.949 -1.913 1
1 89 . 11 1 1 A 13 13 ARG H H 13 9.211 8.139 1.072 1
1 90 . 11 1 1 A 13 13 ARG HA H 13 4.434 5.345 -0.911 1
1 98 . 11 1 1 A 13 13 ARG C C 13 171.964 174.926 -2.962 1
1 99 . 11 1 1 A 13 13 ARG CA C 13 52.791 55.006 -2.215 1
1 100 . 11 1 1 A 13 13 ARG CB C 13 29.067 32.276 -3.209 1
1 103 . 11 1 1 A 13 13 ARG N N 13 125.178 125.299 -0.121 1
1 105 . 11 1 1 A 14 14 ILE H H 14 8.811 8.993 -0.182 1
1 106 . 11 1 1 A 14 14 ILE HA H 14 4.592 4.964 -0.372 1
1 116 . 11 1 1 A 14 14 ILE C C 14 173.197 174.557 -1.360 1
1 117 . 11 1 1 A 14 14 ILE CA C 14 55.308 59.966 -4.658 1
1 118 . 11 1 1 A 14 14 ILE CB C 14 36.411 40.965 -4.554 1
1 122 . 11 1 1 A 14 14 ILE N N 14 122.061 123.645 -1.584 1
1 123 . 11 1 1 A 15 15 TYR H H 15 8.781 9.142 -0.361 1
1 124 . 11 1 1 A 15 15 TYR HA H 15 5.103 4.930 0.173 1
1 131 . 11 1 1 A 15 15 TYR C C 15 172.764 175.419 -2.655 1
1 132 . 11 1 1 A 15 15 TYR CA C 15 53.740 56.862 -3.122 1
1 133 . 11 1 1 A 15 15 TYR CB C 15 37.340 37.563 -0.223 1
1 138 . 11 1 1 A 15 15 TYR N N 15 125.241 127.092 -1.851 1
1 139 . 11 1 1 A 16 16 THR H H 16 8.961 8.906 0.055 1
1 140 . 11 1 1 A 16 16 THR HA H 16 4.806 4.355 0.451 1
1 145 . 11 1 1 A 16 16 THR C C 16 171.478 173.305 -1.827 1
1 146 . 11 1 1 A 16 16 THR CA C 16 59.180 63.114 -3.934 1
1 147 . 11 1 1 A 16 16 THR CB C 16 68.174 69.733 -1.559 1
1 149 . 11 1 1 A 16 16 THR N N 16 116.007 121.563 -5.556 1
1 150 . 11 1 1 A 17 17 LYS H H 17 8.397 8.644 -0.247 1
1 151 . 11 1 1 A 17 17 LYS HA H 17 4.446 4.919 -0.473 1
1 160 . 11 1 1 A 17 17 LYS C C 17 170.870 174.613 -3.743 1
1 161 . 11 1 1 A 17 17 LYS CA C 17 50.238 52.643 -2.405 1
1 162 . 11 1 1 A 17 17 LYS CB C 17 32.677 33.732 -1.055 1
1 166 . 11 1 1 A 17 17 LYS N N 17 125.122 128.856 -3.734 1
1 167 . 11 1 1 A 18 18 PRO HA H 18 4.474 4.550 -0.076 1
1 174 . 11 1 1 A 18 18 PRO C C 18 174.170 177.209 -3.039 1
1 175 . 11 1 1 A 18 18 PRO CA C 18 59.250 62.722 -3.472 1
1 176 . 11 1 1 A 18 18 PRO CB C 18 29.517 32.036 -2.519 1
1 179 . 11 1 1 A 19 19 LYS H H 19 8.467 8.386 0.081 1
1 180 . 11 1 1 A 19 19 LYS HA H 19 3.887 4.120 -0.233 1
1 187 . 11 1 1 A 19 19 LYS C C 19 175.944 176.840 -0.896 1
1 188 . 11 1 1 A 19 19 LYS CA C 19 55.732 56.693 -0.961 1
1 189 . 11 1 1 A 19 19 LYS CB C 19 29.818 32.089 -2.271 1
1 193 . 11 1 1 A 19 19 LYS N N 19 121.921 119.856 2.065 1
1 194 . 11 1 1 A 20 20 GLY HA2 H 20 3.958 3.995 -0.037 1
1 195 . 11 1 1 A 20 20 GLY HA3 H 20 3.676 3.996 -0.320 1
1 196 . 11 1 1 A 20 20 GLY C C 20 171.329 174.420 -3.091 1
1 197 . 11 1 1 A 20 20 GLY CA C 20 43.304 45.130 -1.826 1
1 198 . 11 1 1 A 21 21 GLN H H 21 7.553 7.876 -0.323 1
1 199 . 11 1 1 A 21 21 GLN HA H 21 4.581 4.669 -0.088 1
1 206 . 11 1 1 A 21 21 GLN C C 21 172.091 175.793 -3.702 1
1 207 . 11 1 1 A 21 21 GLN CA C 21 51.330 54.704 -3.374 1
1 208 . 11 1 1 A 21 21 GLN CB C 21 29.767 30.740 -0.973 1
1 210 . 11 1 1 A 21 21 GLN N N 21 117.269 120.139 -2.870 1
1 212 . 11 1 1 A 22 22 LEU H H 22 8.048 8.163 -0.115 1
1 213 . 11 1 1 A 22 22 LEU HA H 22 4.292 4.851 -0.559 1
1 223 . 11 1 1 A 22 22 LEU C C 22 171.986 174.982 -2.996 1
1 224 . 11 1 1 A 22 22 LEU CA C 22 50.950 52.663 -1.713 1
1 225 . 11 1 1 A 22 22 LEU CB C 22 38.362 42.479 -4.117 1
1 229 . 11 1 1 A 22 22 LEU N N 22 119.689 120.354 -0.665 1
1 230 . 11 1 1 A 23 23 PRO HA H 23 4.196 4.622 -0.426 1
1 237 . 11 1 1 A 23 23 PRO C C 23 172.331 176.438 -4.107 1
1 238 . 11 1 1 A 23 23 PRO CA C 23 59.882 62.495 -2.613 1
1 239 . 11 1 1 A 23 23 PRO CB C 23 28.948 31.555 -2.607 1
1 242 . 11 1 1 A 24 24 ASP H H 24 8.191 8.254 -0.063 1
1 243 . 11 1 1 A 24 24 ASP HA H 24 4.649 4.628 0.021 1
1 246 . 11 1 1 A 24 24 ASP C C 24 175.312 175.381 -0.069 1
1 247 . 11 1 1 A 24 24 ASP CA C 24 49.710 54.707 -4.997 1
1 248 . 11 1 1 A 24 24 ASP CB C 24 37.229 41.231 -4.002 1
1 249 . 11 1 1 A 24 24 ASP N N 24 118.307 121.986 -3.679 1
1 250 . 11 1 1 A 25 25 TYR H H 25 8.171 8.991 -0.820 1
1 251 . 11 1 1 A 25 25 TYR HA H 25 4.173 5.120 -0.947 1
1 258 . 11 1 1 A 25 25 TYR C C 25 173.720 176.169 -2.449 1
1 259 . 11 1 1 A 25 25 TYR CA C 25 57.297 57.390 -0.093 1
1 260 . 11 1 1 A 25 25 TYR CB C 25 34.897 38.650 -3.753 1
1 265 . 11 1 1 A 25 25 TYR N N 25 123.576 122.022 1.554 1
1 266 . 11 1 1 A 26 26 THR H H 26 8.278 7.870 0.408 1
1 267 . 11 1 1 A 26 26 THR HA H 26 4.343 4.512 -0.169 1
1 272 . 11 1 1 A 26 26 THR C C 26 173.145 175.073 -1.928 1
1 273 . 11 1 1 A 26 26 THR CA C 26 60.799 62.964 -2.165 1
1 274 . 11 1 1 A 26 26 THR CB C 26 67.379 69.553 -2.174 1
1 276 . 11 1 1 A 26 26 THR N N 26 109.145 112.474 -3.329 1
1 277 . 11 1 1 A 27 27 SER H H 27 7.085 8.137 -1.052 1
1 278 . 11 1 1 A 27 27 SER HA H 27 5.002 4.984 0.018 1
1 281 . 11 1 1 A 27 27 SER C C 27 169.729 171.375 -1.646 1
1 282 . 11 1 1 A 27 27 SER CA C 27 52.526 55.489 -2.963 1
1 283 . 11 1 1 A 27 27 SER CB C 27 61.215 63.642 -2.427 1
1 284 . 11 1 1 A 27 27 SER N N 27 114.134 117.503 -3.369 1
1 285 . 11 1 1 A 28 28 PRO HA H 28 4.553 4.680 -0.127 1
1 292 . 11 1 1 A 28 28 PRO C C 28 174.448 175.648 -1.200 1
1 293 . 11 1 1 A 28 28 PRO CA C 28 60.482 62.299 -1.817 1
1 294 . 11 1 1 A 28 28 PRO CB C 28 29.224 33.158 -3.934 1
1 297 . 11 1 1 A 29 29 VAL H H 29 9.191 8.118 1.073 1
1 298 . 11 1 1 A 29 29 VAL HA H 29 3.946 4.542 -0.596 1
1 306 . 11 1 1 A 29 29 VAL C C 29 172.641 174.276 -1.635 1
1 307 . 11 1 1 A 29 29 VAL CA C 29 60.367 60.662 -0.295 1
1 308 . 11 1 1 A 29 29 VAL CB C 29 30.546 33.971 -3.425 1
1 311 . 11 1 1 A 29 29 VAL N N 29 123.735 120.831 2.904 1
1 312 . 11 1 1 A 30 30 VAL H H 30 8.169 8.899 -0.730 1
1 313 . 11 1 1 A 30 30 VAL HA H 30 4.940 4.447 0.493 1
1 321 . 11 1 1 A 30 30 VAL C C 30 173.560 175.259 -1.699 1
1 322 . 11 1 1 A 30 30 VAL CA C 30 58.568 61.914 -3.346 1
1 323 . 11 1 1 A 30 30 VAL CB C 30 30.303 31.473 -1.170 1
1 326 . 11 1 1 A 30 30 VAL N N 30 125.255 130.740 -5.485 1
1 327 . 11 1 1 A 31 31 LEU H H 31 8.889 8.820 0.069 1
1 328 . 11 1 1 A 31 31 LEU HA H 31 4.816 4.760 0.056 1
1 338 . 11 1 1 A 31 31 LEU C C 31 171.113 174.723 -3.610 1
1 339 . 11 1 1 A 31 31 LEU CA C 31 48.760 52.154 -3.394 1
1 340 . 11 1 1 A 31 31 LEU CB C 31 40.938 42.855 -1.917 1
1 344 . 11 1 1 A 31 31 LEU N N 31 127.017 128.693 -1.676 1
1 345 . 11 1 1 A 32 32 PRO HA H 32 4.531 4.709 -0.178 1
1 352 . 11 1 1 A 32 32 PRO C C 32 174.294 177.622 -3.328 1
1 353 . 11 1 1 A 32 32 PRO CA C 32 59.648 62.787 -3.139 1
1 354 . 11 1 1 A 32 32 PRO CB C 32 29.349 31.725 -2.376 1
1 357 . 11 1 1 A 33 33 TYR H H 33 8.105 8.580 -0.475 1
1 358 . 11 1 1 A 33 33 TYR HA H 33 3.788 3.989 -0.201 1
1 365 . 11 1 1 A 33 33 TYR C C 33 173.470 177.219 -3.749 1
1 366 . 11 1 1 A 33 33 TYR CA C 33 58.159 62.356 -4.197 1
1 367 . 11 1 1 A 33 33 TYR CB C 33 36.244 39.056 -2.812 1
1 372 . 11 1 1 A 33 33 TYR N N 33 120.060 126.499 -6.439 1
1 373 . 11 1 1 A 34 34 SER H H 34 7.868 8.422 -0.554 1
1 374 . 11 1 1 A 34 34 SER HA H 34 3.814 4.241 -0.427 1
1 377 . 11 1 1 A 34 34 SER C C 34 171.946 173.972 -2.026 1
1 378 . 11 1 1 A 34 34 SER CA C 34 58.212 61.376 -3.164 1
1 379 . 11 1 1 A 34 34 SER CB C 34 60.928 63.045 -2.117 1
1 380 . 11 1 1 A 34 34 SER N N 34 116.733 114.472 2.261 1
1 381 . 11 1 1 A 35 35 ARG H H 35 7.883 8.136 -0.253 1
1 382 . 11 1 1 A 35 35 ARG HA H 35 4.575 4.686 -0.111 1
1 389 . 11 1 1 A 35 35 ARG C C 35 172.091 174.766 -2.675 1
1 390 . 11 1 1 A 35 35 ARG CA C 35 52.067 54.856 -2.789 1
1 391 . 11 1 1 A 35 35 ARG CB C 35 28.228 31.340 -3.112 1
1 394 . 11 1 1 A 35 35 ARG N N 35 125.492 118.863 6.629 1
1 395 . 11 1 1 A 36 36 THR H H 36 7.874 8.581 -0.707 1
1 396 . 11 1 1 A 36 36 THR HA H 36 4.613 5.204 -0.591 1
1 401 . 11 1 1 A 36 36 THR C C 36 173.095 173.264 -0.169 1
1 402 . 11 1 1 A 36 36 THR CA C 36 57.029 60.519 -3.490 1
1 403 . 11 1 1 A 36 36 THR CB C 36 66.113 70.997 -4.884 1
1 405 . 11 1 1 A 36 36 THR N N 36 107.510 114.568 -7.058 1
1 406 . 11 1 1 A 37 37 THR H H 37 8.804 8.436 0.368 1
1 407 . 11 1 1 A 37 37 THR HA H 37 5.288 4.620 0.668 1
1 412 . 11 1 1 A 37 37 THR C C 37 174.234 174.446 -0.212 1
1 413 . 11 1 1 A 37 37 THR CA C 37 59.681 60.899 -1.218 1
1 414 . 11 1 1 A 37 37 THR CB C 37 70.032 71.133 -1.101 1
1 416 . 11 1 1 A 37 37 THR N N 37 112.714 116.591 -3.877 1
1 417 . 11 1 1 A 38 38 VAL H H 38 8.269 8.888 -0.619 1
1 418 . 11 1 1 A 38 38 VAL HA H 38 3.485 3.611 -0.126 1
1 426 . 11 1 1 A 38 38 VAL C C 38 175.909 177.239 -1.330 1
1 427 . 11 1 1 A 38 38 VAL CA C 38 64.496 66.846 -2.350 1
1 428 . 11 1 1 A 38 38 VAL CB C 38 29.015 31.471 -2.456 1
1 431 . 11 1 1 A 38 38 VAL N N 38 121.372 122.653 -1.281 1
1 432 . 11 1 1 A 39 39 GLU H H 39 8.597 7.921 0.676 1
1 433 . 11 1 1 A 39 39 GLU HA H 39 3.495 3.892 -0.397 1
1 438 . 11 1 1 A 39 39 GLU C C 39 174.769 178.396 -3.627 1
1 439 . 11 1 1 A 39 39 GLU CA C 39 58.418 59.202 -0.784 1
1 440 . 11 1 1 A 39 39 GLU CB C 39 27.358 29.029 -1.671 1
1 442 . 11 1 1 A 39 39 GLU N N 39 121.954 119.165 2.789 1
1 443 . 11 1 1 A 40 40 ASP H H 40 7.493 8.262 -0.769 1
1 444 . 11 1 1 A 40 40 ASP HA H 40 4.071 4.294 -0.223 1
1 447 . 11 1 1 A 40 40 ASP C C 40 176.738 178.883 -2.145 1
1 448 . 11 1 1 A 40 40 ASP CA C 40 55.877 57.261 -1.384 1
1 449 . 11 1 1 A 40 40 ASP CB C 40 38.721 40.047 -1.326 1
1 450 . 11 1 1 A 40 40 ASP N N 40 119.054 120.438 -1.384 1
1 451 . 11 1 1 A 41 41 PHE H H 41 8.429 8.292 0.137 1
1 452 . 11 1 1 A 41 41 PHE HA H 41 3.750 4.101 -0.351 1
1 460 . 11 1 1 A 41 41 PHE C C 41 173.786 177.206 -3.420 1
1 461 . 11 1 1 A 41 41 PHE CA C 41 59.851 61.085 -1.234 1
1 462 . 11 1 1 A 41 41 PHE CB C 41 36.135 38.816 -2.681 1
1 468 . 11 1 1 A 41 41 PHE N N 41 121.017 121.721 -0.704 1
1 469 . 11 1 1 A 42 42 CYS H H 42 8.527 8.127 0.400 1
1 470 . 11 1 1 A 42 42 CYS HA H 42 3.752 4.255 -0.503 1
1 473 . 11 1 1 A 42 42 CYS C C 42 174.065 177.499 -3.434 1
1 474 . 11 1 1 A 42 42 CYS CA C 42 62.453 62.658 -0.205 1
1 475 . 11 1 1 A 42 42 CYS CB C 42 24.429 26.569 -2.140 1
1 476 . 11 1 1 A 42 42 CYS N N 42 116.390 117.135 -0.745 1
1 477 . 11 1 1 A 43 43 MET H H 43 7.739 8.016 -0.277 1
1 478 . 11 1 1 A 43 43 MET HA H 43 3.885 4.284 -0.399 1
1 486 . 11 1 1 A 43 43 MET C C 43 175.345 178.656 -3.311 1
1 487 . 11 1 1 A 43 43 MET CA C 43 54.460 58.311 -3.851 1
1 488 . 11 1 1 A 43 43 MET CB C 43 28.872 32.781 -3.909 1
1 491 . 11 1 1 A 43 43 MET N N 43 114.377 119.495 -5.118 1
1 492 . 11 1 1 A 44 44 LYS H H 44 7.257 7.339 -0.082 1
1 493 . 11 1 1 A 44 44 LYS HA H 44 3.896 3.930 -0.034 1
1 502 . 11 1 1 A 44 44 LYS C C 44 175.198 178.646 -3.448 1
1 503 . 11 1 1 A 44 44 LYS CA C 44 54.181 58.866 -4.685 1
1 504 . 11 1 1 A 44 44 LYS CB C 44 29.291 32.529 -3.238 1
1 508 . 11 1 1 A 44 44 LYS N N 44 117.480 118.397 -0.917 1
1 509 . 11 1 1 A 45 45 ILE H H 45 7.146 7.333 -0.187 1
1 510 . 11 1 1 A 45 45 ILE HA H 45 3.697 3.906 -0.209 1
1 520 . 11 1 1 A 45 45 ILE C C 45 174.894 175.990 -1.096 1
1 521 . 11 1 1 A 45 45 ILE CA C 45 59.954 63.338 -3.384 1
1 522 . 11 1 1 A 45 45 ILE CB C 45 33.943 39.012 -5.069 1
1 526 . 11 1 1 A 45 45 ILE N N 45 119.267 117.512 1.755 1
1 527 . 11 1 1 A 46 46 HIS H H 46 7.982 7.760 0.222 1
1 528 . 11 1 1 A 46 46 HIS HA H 46 4.200 4.722 -0.522 1
1 533 . 11 1 1 A 46 46 HIS C C 46 173.349 174.003 -0.654 1
1 534 . 11 1 1 A 46 46 HIS CA C 46 56.363 55.880 0.483 1
1 535 . 11 1 1 A 46 46 HIS CB C 46 30.998 32.601 -1.603 1
1 538 . 11 1 1 A 46 46 HIS N N 46 116.498 116.908 -0.410 1
1 539 . 11 1 1 A 47 47 LYS H H 47 8.478 8.614 -0.136 1
1 540 . 11 1 1 A 47 47 LYS HA H 47 4.091 4.361 -0.270 1
1 545 . 11 1 1 A 47 47 LYS C C 47 174.519 177.278 -2.759 1
1 546 . 11 1 1 A 47 47 LYS CA C 47 57.279 57.073 0.206 1
1 547 . 11 1 1 A 47 47 LYS CB C 47 29.709 32.153 -2.444 1
1 551 . 11 1 1 A 47 47 LYS N N 47 127.686 125.405 2.281 1
1 552 . 11 1 1 A 48 48 ASN H H 48 10.623 7.815 2.808 1
1 553 . 11 1 1 A 48 48 ASN HA H 48 4.839 4.951 -0.112 1
1 558 . 11 1 1 A 48 48 ASN C C 48 175.138 175.907 -0.769 1
1 559 . 11 1 1 A 48 48 ASN CA C 48 50.960 53.295 -2.335 1
1 560 . 11 1 1 A 48 48 ASN CB C 48 36.975 39.703 -2.728 1
1 561 . 11 1 1 A 48 48 ASN N N 48 118.711 116.557 2.154 1
1 563 . 11 1 1 A 49 49 LEU H H 49 7.796 7.700 0.096 1
1 564 . 11 1 1 A 49 49 LEU HA H 49 4.103 4.119 -0.016 1
1 574 . 11 1 1 A 49 49 LEU C C 49 176.976 178.559 -1.583 1
1 575 . 11 1 1 A 49 49 LEU CA C 49 56.381 57.422 -1.041 1
1 576 . 11 1 1 A 49 49 LEU CB C 49 39.064 41.477 -2.413 1
1 580 . 11 1 1 A 49 49 LEU N N 49 124.676 121.088 3.588 1
1 581 . 11 1 1 A 50 50 ILE H H 50 9.052 8.113 0.939 1
1 582 . 11 1 1 A 50 50 ILE HA H 50 4.060 4.019 0.041 1
1 592 . 11 1 1 A 50 50 ILE C C 50 173.983 178.104 -4.121 1
1 593 . 11 1 1 A 50 50 ILE CA C 50 57.842 62.609 -4.767 1
1 594 . 11 1 1 A 50 50 ILE CB C 50 35.943 37.814 -1.871 1
1 598 . 11 1 1 A 50 50 ILE N N 50 116.565 119.123 -2.558 1
1 599 . 11 1 1 A 51 51 LYS H H 51 7.275 8.043 -0.768 1
1 600 . 11 1 1 A 51 51 LYS HA H 51 4.143 4.101 0.042 1
1 609 . 11 1 1 A 51 51 LYS C C 51 175.668 178.526 -2.858 1
1 610 . 11 1 1 A 51 51 LYS CA C 51 55.696 59.860 -4.164 1
1 611 . 11 1 1 A 51 51 LYS CB C 51 29.767 32.144 -2.377 1
1 615 . 11 1 1 A 51 51 LYS N N 51 119.864 122.921 -3.057 1
1 616 . 11 1 1 A 52 52 GLU H H 52 7.590 7.214 0.376 1
1 617 . 11 1 1 A 52 52 GLU HA H 52 4.319 4.338 -0.019 1
1 622 . 11 1 1 A 52 52 GLU C C 52 173.088 176.636 -3.548 1
1 623 . 11 1 1 A 52 52 GLU CA C 52 53.301 57.100 -3.799 1
1 624 . 11 1 1 A 52 52 GLU CB C 52 28.778 30.452 -1.674 1
1 626 . 11 1 1 A 52 52 GLU N N 52 116.453 117.048 -0.595 1
1 627 . 11 1 1 A 53 53 PHE H H 53 7.423 7.896 -0.473 1
1 628 . 11 1 1 A 53 53 PHE HA H 53 3.608 4.539 -0.931 1
1 636 . 11 1 1 A 53 53 PHE C C 53 170.946 175.499 -4.553 1
1 637 . 11 1 1 A 53 53 PHE CA C 53 57.983 59.486 -1.503 1
1 638 . 11 1 1 A 53 53 PHE CB C 53 38.913 40.031 -1.118 1
1 644 . 11 1 1 A 53 53 PHE N N 53 120.950 122.785 -1.835 1
1 645 . 11 1 1 A 54 54 LYS H H 54 8.385 8.861 -0.476 1
1 646 . 11 1 1 A 54 54 LYS HA H 54 4.268 4.168 0.100 1
1 655 . 11 1 1 A 54 54 LYS C C 54 173.038 175.270 -2.232 1
1 656 . 11 1 1 A 54 54 LYS CA C 54 55.263 57.152 -1.889 1
1 657 . 11 1 1 A 54 54 LYS CB C 54 32.730 33.894 -1.164 1
1 661 . 11 1 1 A 54 54 LYS N N 54 128.686 127.029 1.657 1
1 662 . 11 1 1 A 55 55 TYR H H 55 7.083 6.971 0.112 1
1 663 . 11 1 1 A 55 55 TYR HA H 55 4.120 4.537 -0.417 1
1 670 . 11 1 1 A 55 55 TYR C C 55 168.503 173.129 -4.626 1
1 671 . 11 1 1 A 55 55 TYR CA C 55 55.198 56.110 -0.912 1
1 672 . 11 1 1 A 55 55 TYR CB C 55 35.633 39.693 -4.060 1
1 677 . 11 1 1 A 55 55 TYR N N 55 110.963 112.995 -2.032 1
1 678 . 11 1 1 A 56 56 ALA H H 56 8.836 8.742 0.094 1
1 679 . 11 1 1 A 56 56 ALA HA H 56 5.293 5.295 -0.002 1
1 683 . 11 1 1 A 56 56 ALA C C 56 172.993 175.865 -2.872 1
1 684 . 11 1 1 A 56 56 ALA CA C 56 47.088 50.389 -3.301 1
1 685 . 11 1 1 A 56 56 ALA CB C 56 20.287 22.701 -2.414 1
1 686 . 11 1 1 A 56 56 ALA N N 56 118.379 122.434 -4.055 1
1 687 . 11 1 1 A 57 57 LEU H H 57 8.880 8.798 0.082 1
1 688 . 11 1 1 A 57 57 LEU HA H 57 4.854 4.880 -0.026 1
1 698 . 11 1 1 A 57 57 LEU C C 57 172.904 174.924 -2.020 1
1 699 . 11 1 1 A 57 57 LEU CA C 57 50.872 53.184 -2.312 1
1 700 . 11 1 1 A 57 57 LEU CB C 57 42.160 42.835 -0.675 1
1 704 . 11 1 1 A 57 57 LEU N N 57 121.382 122.037 -0.655 1
1 705 . 11 1 1 A 58 58 VAL H H 58 8.123 8.758 -0.635 1
1 706 . 11 1 1 A 58 58 VAL HA H 58 5.243 4.567 0.676 1
1 714 . 11 1 1 A 58 58 VAL C C 58 171.929 175.608 -3.679 1
1 715 . 11 1 1 A 58 58 VAL CA C 58 57.683 61.244 -3.561 1
1 716 . 11 1 1 A 58 58 VAL CB C 58 33.036 32.765 0.271 1
1 719 . 11 1 1 A 58 58 VAL N N 58 120.400 125.158 -4.758 1
1 720 . 11 1 1 A 59 59 TRP H H 59 9.316 8.705 0.611 1
1 721 . 11 1 1 A 59 59 TRP HA H 59 4.843 5.019 -0.176 1
1 730 . 11 1 1 A 59 59 TRP C C 59 173.582 176.250 -2.668 1
1 731 . 11 1 1 A 59 59 TRP CA C 59 54.736 57.371 -2.635 1
1 732 . 11 1 1 A 59 59 TRP CB C 59 30.514 29.991 0.523 1
1 738 . 11 1 1 A 59 59 TRP N N 59 127.196 127.583 -0.387 1
1 740 . 11 1 1 A 60 60 GLY H H 60 8.531 8.420 0.111 1
1 741 . 11 1 1 A 60 60 GLY HA2 H 60 4.934 4.283 0.651 1
1 742 . 11 1 1 A 60 60 GLY HA3 H 60 4.123 4.296 -0.173 1
1 743 . 11 1 1 A 60 60 GLY C C 60 171.378 175.190 -3.812 1
1 744 . 11 1 1 A 60 60 GLY CA C 60 42.587 44.049 -1.462 1
1 745 . 11 1 1 A 60 60 GLY N N 60 110.481 108.434 2.047 1
1 746 . 11 1 1 A 61 61 LEU H H 61 8.188 8.860 -0.672 1
1 747 . 11 1 1 A 61 61 LEU HA H 61 4.141 3.937 0.204 1
1 757 . 11 1 1 A 61 61 LEU C C 61 176.897 179.184 -2.287 1
1 758 . 11 1 1 A 61 61 LEU CA C 61 54.357 57.428 -3.071 1
1 759 . 11 1 1 A 61 61 LEU CB C 61 39.942 41.440 -1.498 1
1 763 . 11 1 1 A 61 61 LEU N N 61 118.667 120.559 -1.892 1
1 764 . 11 1 1 A 62 62 SER H H 62 8.123 8.124 -0.001 1
1 765 . 11 1 1 A 62 62 SER HA H 62 4.284 4.650 -0.366 1
1 768 . 11 1 1 A 62 62 SER C C 62 171.932 174.924 -2.992 1
1 769 . 11 1 1 A 62 62 SER CA C 62 57.279 61.798 -4.519 1
1 770 . 11 1 1 A 62 62 SER CB C 62 60.354 62.789 -2.435 1
1 771 . 11 1 1 A 62 62 SER N N 62 110.946 113.351 -2.405 1
1 772 . 11 1 1 A 63 63 VAL H H 63 7.174 7.444 -0.270 1
1 773 . 11 1 1 A 63 63 VAL HA H 63 4.503 4.356 0.147 1
1 781 . 11 1 1 A 63 63 VAL C C 63 173.221 175.900 -2.679 1
1 782 . 11 1 1 A 63 63 VAL CA C 63 57.573 60.219 -2.646 1
1 783 . 11 1 1 A 63 63 VAL CB C 63 31.826 33.416 -1.590 1
1 786 . 11 1 1 A 63 63 VAL N N 63 114.625 118.463 -3.838 1
1 787 . 11 1 1 A 64 64 LYS H H 64 8.112 8.525 -0.413 1
1 788 . 11 1 1 A 64 64 LYS HA H 64 4.105 4.193 -0.088 1
1 796 . 11 1 1 A 64 64 LYS C C 64 174.259 176.826 -2.567 1
1 797 . 11 1 1 A 64 64 LYS CA C 64 54.586 57.791 -3.205 1
1 798 . 11 1 1 A 64 64 LYS CB C 64 30.837 32.714 -1.877 1
1 802 . 11 1 1 A 64 64 LYS N N 64 119.722 123.825 -4.103 1
1 803 . 11 1 1 A 65 65 HIS H H 65 7.496 7.578 -0.082 1
1 804 . 11 1 1 A 65 65 HIS HA H 65 4.497 5.193 -0.696 1
1 809 . 11 1 1 A 65 65 HIS C C 65 170.028 174.336 -4.308 1
1 810 . 11 1 1 A 65 65 HIS CA C 65 52.491 54.694 -2.203 1
1 811 . 11 1 1 A 65 65 HIS CB C 65 29.149 31.844 -2.695 1
1 814 . 11 1 1 A 65 65 HIS N N 65 117.336 115.461 1.875 1
1 815 . 11 1 1 A 66 66 ASN H H 66 8.135 9.199 -1.064 1
1 816 . 11 1 1 A 66 66 ASN HA H 66 4.986 5.163 -0.177 1
1 821 . 11 1 1 A 66 66 ASN C C 66 171.088 173.145 -2.057 1
1 822 . 11 1 1 A 66 66 ASN CA C 66 47.732 50.474 -2.742 1
1 823 . 11 1 1 A 66 66 ASN CB C 66 39.365 40.383 -1.018 1
1 824 . 11 1 1 A 66 66 ASN N N 66 118.616 121.124 -2.508 1
1 826 . 11 1 1 A 67 67 PRO HA H 67 4.408 4.303 0.105 1
1 833 . 11 1 1 A 67 67 PRO C C 67 173.325 175.342 -2.017 1
1 834 . 11 1 1 A 67 67 PRO CA C 67 60.535 62.610 -2.075 1
1 835 . 11 1 1 A 67 67 PRO CB C 67 31.065 32.268 -1.203 1
1 838 . 11 1 1 A 68 68 GLN H H 68 8.323 8.286 0.037 1
1 839 . 11 1 1 A 68 68 GLN HA H 68 4.295 4.620 -0.325 1
1 846 . 11 1 1 A 68 68 GLN C C 68 172.005 174.613 -2.608 1
1 847 . 11 1 1 A 68 68 GLN CA C 68 51.805 54.768 -2.963 1
1 848 . 11 1 1 A 68 68 GLN CB C 68 30.014 31.970 -1.956 1
1 850 . 11 1 1 A 68 68 GLN N N 68 118.089 121.340 -3.251 1
1 852 . 11 1 1 A 69 69 LYS H H 69 8.268 8.550 -0.282 1
1 853 . 11 1 1 A 69 69 LYS HA H 69 4.907 4.545 0.362 1
1 862 . 11 1 1 A 69 69 LYS C C 69 174.226 176.475 -2.249 1
1 863 . 11 1 1 A 69 69 LYS CA C 69 53.598 56.446 -2.848 1
1 864 . 11 1 1 A 69 69 LYS CB C 69 30.096 32.757 -2.661 1
1 868 . 11 1 1 A 69 69 LYS N N 69 125.766 127.695 -1.929 1
1 869 . 11 1 1 A 70 70 VAL H H 70 9.409 8.677 0.732 1
1 870 . 11 1 1 A 70 70 VAL HA H 70 4.723 4.937 -0.214 1
1 878 . 11 1 1 A 70 70 VAL C C 70 172.498 176.021 -3.523 1
1 879 . 11 1 1 A 70 70 VAL CA C 70 56.680 59.817 -3.137 1
1 880 . 11 1 1 A 70 70 VAL CB C 70 33.332 34.368 -1.036 1
1 883 . 11 1 1 A 70 70 VAL N N 70 120.660 120.797 -0.137 1
1 884 . 11 1 1 A 71 71 GLY H H 71 8.445 8.476 -0.031 1
1 885 . 11 1 1 A 71 71 GLY HA2 H 71 4.961 4.247 0.714 1
1 886 . 11 1 1 A 71 71 GLY HA3 H 71 3.898 4.300 -0.402 1
1 887 . 11 1 1 A 71 71 GLY C C 71 172.669 174.812 -2.143 1
1 888 . 11 1 1 A 71 71 GLY CA C 71 40.896 44.643 -3.747 1
1 889 . 11 1 1 A 71 71 GLY N N 71 106.755 109.704 -2.949 1
1 890 . 11 1 1 A 72 72 LYS H H 72 8.573 8.653 -0.080 1
1 891 . 11 1 1 A 72 72 LYS HA H 72 3.454 4.383 -0.929 1
1 900 . 11 1 1 A 72 72 LYS C C 72 172.853 177.120 -4.267 1
1 901 . 11 1 1 A 72 72 LYS CA C 72 56.108 57.491 -1.383 1
1 902 . 11 1 1 A 72 72 LYS CB C 72 29.993 33.500 -3.507 1
1 906 . 11 1 1 A 72 72 LYS N N 72 114.685 118.654 -3.969 1
1 907 . 11 1 1 A 73 73 ASP H H 73 8.517 7.941 0.576 1
1 908 . 11 1 1 A 73 73 ASP HA H 73 4.543 4.651 -0.108 1
1 911 . 11 1 1 A 73 73 ASP C C 73 173.041 176.378 -3.337 1
1 912 . 11 1 1 A 73 73 ASP CA C 73 51.118 54.684 -3.566 1
1 913 . 11 1 1 A 73 73 ASP CB C 73 38.311 41.666 -3.355 1
1 914 . 11 1 1 A 73 73 ASP N N 73 115.449 118.316 -2.867 1
1 915 . 11 1 1 A 74 74 HIS H H 74 7.173 7.696 -0.523 1
1 916 . 11 1 1 A 74 74 HIS HA H 74 4.084 4.344 -0.260 1
1 921 . 11 1 1 A 74 74 HIS C C 74 172.466 175.331 -2.865 1
1 922 . 11 1 1 A 74 74 HIS CA C 74 55.483 57.460 -1.977 1
1 923 . 11 1 1 A 74 74 HIS CB C 74 29.868 30.458 -0.590 1
1 926 . 11 1 1 A 74 74 HIS N N 74 120.387 121.328 -0.941 1
1 927 . 11 1 1 A 75 75 THR H H 75 7.573 8.307 -0.734 1
1 928 . 11 1 1 A 75 75 THR HA H 75 3.562 4.154 -0.592 1
1 933 . 11 1 1 A 75 75 THR C C 75 170.555 173.780 -3.225 1
1 934 . 11 1 1 A 75 75 THR CA C 75 61.656 62.786 -1.130 1
1 935 . 11 1 1 A 75 75 THR CB C 75 66.449 69.243 -2.794 1
1 937 . 11 1 1 A 75 75 THR N N 75 123.519 121.159 2.360 1
1 938 . 11 1 1 A 76 76 LEU H H 76 8.300 8.479 -0.179 1
1 939 . 11 1 1 A 76 76 LEU HA H 76 4.187 4.769 -0.582 1
1 949 . 11 1 1 A 76 76 LEU C C 76 174.153 176.483 -2.330 1
1 950 . 11 1 1 A 76 76 LEU CA C 76 52.201 53.419 -1.218 1
1 951 . 11 1 1 A 76 76 LEU CB C 76 40.188 43.686 -3.498 1
1 955 . 11 1 1 A 76 76 LEU N N 76 127.705 127.222 0.483 1
1 956 . 11 1 1 A 77 77 GLU H H 77 9.006 8.660 0.346 1
1 957 . 11 1 1 A 77 77 GLU HA H 77 4.295 4.630 -0.335 1
1 962 . 11 1 1 A 77 77 GLU C C 77 172.035 175.642 -3.607 1
1 963 . 11 1 1 A 77 77 GLU CA C 77 51.734 54.373 -2.639 1
1 964 . 11 1 1 A 77 77 GLU CB C 77 30.671 31.752 -1.081 1
1 966 . 11 1 1 A 77 77 GLU N N 77 120.330 122.044 -1.714 1
1 967 . 11 1 1 A 78 78 ASP H H 78 8.375 8.660 -0.285 1
1 968 . 11 1 1 A 78 78 ASP HA H 78 4.289 4.404 -0.115 1
1 971 . 11 1 1 A 78 78 ASP C C 78 174.522 176.972 -2.450 1
1 972 . 11 1 1 A 78 78 ASP CA C 78 54.779 54.902 -0.123 1
1 973 . 11 1 1 A 78 78 ASP CB C 78 39.200 41.171 -1.971 1
1 974 . 11 1 1 A 78 78 ASP N N 78 116.751 122.228 -5.477 1
1 975 . 11 1 1 A 79 79 GLU H H 79 9.867 8.799 1.068 1
1 976 . 11 1 1 A 79 79 GLU HA H 79 3.685 3.997 -0.312 1
1 981 . 11 1 1 A 79 79 GLU C C 79 172.755 174.855 -2.100 1
1 982 . 11 1 1 A 79 79 GLU CA C 79 57.384 57.400 -0.016 1
1 983 . 11 1 1 A 79 79 GLU CB C 79 24.429 27.706 -3.277 1
1 985 . 11 1 1 A 79 79 GLU N N 79 119.409 120.083 -0.674 1
1 986 . 11 1 1 A 80 80 ASP H H 80 8.212 7.186 1.026 1
1 987 . 11 1 1 A 80 80 ASP HA H 80 4.833 5.381 -0.548 1
1 990 . 11 1 1 A 80 80 ASP C C 80 171.935 174.950 -3.015 1
1 991 . 11 1 1 A 80 80 ASP CA C 80 53.900 53.268 0.632 1
1 992 . 11 1 1 A 80 80 ASP CB C 80 39.633 44.313 -4.680 1
1 993 . 11 1 1 A 80 80 ASP N N 80 121.227 117.482 3.745 1
1 994 . 11 1 1 A 81 81 VAL H H 81 8.638 9.125 -0.487 1
1 995 . 11 1 1 A 81 81 VAL HA H 81 5.055 5.118 -0.063 1
1 1003 . 11 1 1 A 81 81 VAL C C 81 172.826 174.875 -2.049 1
1 1004 . 11 1 1 A 81 81 VAL CA C 81 57.723 61.906 -4.183 1
1 1005 . 11 1 1 A 81 81 VAL CB C 81 31.767 33.489 -1.722 1
1 1008 . 11 1 1 A 81 81 VAL N N 81 118.946 123.066 -4.120 1
1 1009 . 11 1 1 A 82 82 ILE H H 82 9.007 8.599 0.408 1
1 1010 . 11 1 1 A 82 82 ILE HA H 82 5.789 5.287 0.502 1
1 1020 . 11 1 1 A 82 82 ILE C C 82 170.143 173.272 -3.129 1
1 1021 . 11 1 1 A 82 82 ILE CA C 82 55.824 59.144 -3.320 1
1 1022 . 11 1 1 A 82 82 ILE CB C 82 41.574 42.200 -0.626 1
1 1026 . 11 1 1 A 82 82 ILE N N 82 124.391 127.614 -3.223 1
1 1027 . 11 1 1 A 83 83 GLN H H 83 9.415 8.951 0.464 1
1 1028 . 11 1 1 A 83 83 GLN HA H 83 4.815 4.912 -0.097 1
1 1035 . 11 1 1 A 83 83 GLN C C 83 172.719 174.519 -1.800 1
1 1036 . 11 1 1 A 83 83 GLN CA C 83 52.016 54.738 -2.722 1
1 1037 . 11 1 1 A 83 83 GLN CB C 83 32.094 30.366 1.728 1
1 1039 . 11 1 1 A 83 83 GLN N N 83 127.774 128.770 -0.996 1
1 1041 . 11 1 1 A 84 84 ILE H H 84 8.878 8.595 0.283 1
1 1042 . 11 1 1 A 84 84 ILE HA H 84 4.074 4.324 -0.250 1
1 1052 . 11 1 1 A 84 84 ILE C C 84 173.096 175.379 -2.283 1
1 1053 . 11 1 1 A 84 84 ILE CA C 84 57.372 61.878 -4.506 1
1 1054 . 11 1 1 A 84 84 ILE CB C 84 34.771 37.484 -2.713 1
1 1058 . 11 1 1 A 84 84 ILE N N 84 126.673 126.528 0.145 1
1 1059 . 11 1 1 A 85 85 VAL H H 85 8.562 8.576 -0.014 1
1 1060 . 11 1 1 A 85 85 VAL HA H 85 3.914 4.422 -0.508 1
1 1068 . 11 1 1 A 85 85 VAL C C 85 172.438 174.774 -2.336 1
1 1069 . 11 1 1 A 85 85 VAL CA C 85 60.112 60.952 -0.840 1
1 1070 . 11 1 1 A 85 85 VAL CB C 85 28.964 33.187 -4.223 1
1 1073 . 11 1 1 A 85 85 VAL N N 85 130.400 128.511 1.889 1
1 1074 . 11 1 1 A 86 86 LYS H H 86 8.399 8.654 -0.255 1
1 1075 . 11 1 1 A 86 86 LYS HA H 86 4.640 4.800 -0.160 1
1 1084 . 11 1 1 A 86 86 LYS C C 86 174.388 175.799 -1.411 1
1 1085 . 11 1 1 A 86 86 LYS CA C 86 53.301 54.852 -1.551 1
1 1086 . 11 1 1 A 86 86 LYS CB C 86 32.587 34.074 -1.487 1
1 1090 . 11 1 1 A 86 86 LYS N N 86 126.582 126.522 0.060 1
1 1091 . 11 1 1 A 87 87 LYS H H 87 8.485 8.426 0.059 1
1 1092 . 11 1 1 A 87 87 LYS HA H 87 3.923 4.307 -0.384 1
1 1101 . 11 1 1 A 87 87 LYS C C 87 174.196 176.138 -1.942 1
1 1102 . 11 1 1 A 87 87 LYS CA C 87 55.171 56.293 -1.122 1
1 1103 . 11 1 1 A 87 87 LYS CB C 87 31.274 31.505 -0.231 1
1 1107 . 11 1 1 A 87 87 LYS N N 87 119.203 124.191 -4.988 1
1 1108 . 11 1 1 A 89 89 GLY HA2 H 89 4.034 4.020 0.014 1
1 1109 . 11 1 1 A 89 89 GLY HA3 H 89 4.034 4.022 0.012 1
1 1110 . 11 1 1 A 89 89 GLY CA C 89 42.366 46.329 -3.963 1
1 1111 . 11 1 1 A 90 90 PRO HA H 90 4.369 4.398 -0.029 1
1 1118 . 11 1 1 A 90 90 PRO CA C 90 61.070 63.413 -2.343 1
1 1119 . 11 1 1 A 90 90 PRO CB C 90 29.818 32.095 -2.277 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.759 4.249 -0.490 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.759 4.282 -0.523 1
1 3 . 12 1 1 A 7 7 GLY C C 7 171.455 171.846 -0.391 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 42.980 44.258 -1.278 1
1 5 . 12 1 1 A 8 8 TYR H H 8 7.813 8.872 -1.059 1
1 6 . 12 1 1 A 8 8 TYR HA H 8 4.391 4.957 -0.566 1
1 13 . 12 1 1 A 8 8 TYR C C 8 173.043 174.938 -1.895 1
1 14 . 12 1 1 A 8 8 TYR CA C 8 55.501 57.114 -1.613 1
1 15 . 12 1 1 A 8 8 TYR CB C 8 36.317 42.047 -5.730 1
1 20 . 12 1 1 A 8 8 TYR N N 8 119.411 121.876 -2.465 1
1 21 . 12 1 1 A 9 9 LEU H H 9 7.861 8.353 -0.492 1
1 22 . 12 1 1 A 9 9 LEU HA H 9 4.118 3.810 0.308 1
1 32 . 12 1 1 A 9 9 LEU C C 9 173.714 176.512 -2.798 1
1 33 . 12 1 1 A 9 9 LEU CA C 9 52.544 55.567 -3.023 1
1 34 . 12 1 1 A 9 9 LEU CB C 9 40.106 40.897 -0.791 1
1 38 . 12 1 1 A 9 9 LEU N N 9 123.594 126.830 -3.236 1
1 39 . 12 1 1 A 10 10 LYS H H 10 7.976 7.585 0.391 1
1 40 . 12 1 1 A 10 10 LYS HA H 10 4.108 4.158 -0.050 1
1 49 . 12 1 1 A 10 10 LYS C C 10 172.845 176.108 -3.263 1
1 50 . 12 1 1 A 10 10 LYS CA C 10 54.150 56.800 -2.650 1
1 51 . 12 1 1 A 10 10 LYS CB C 10 30.736 33.188 -2.452 1
1 55 . 12 1 1 A 10 10 LYS N N 10 122.047 120.874 1.173 1
1 56 . 12 1 1 A 11 11 LEU H H 11 8.102 8.390 -0.288 1
1 57 . 12 1 1 A 11 11 LEU HA H 11 4.711 5.000 -0.289 1
1 67 . 12 1 1 A 11 11 LEU C C 11 173.849 176.069 -2.220 1
1 68 . 12 1 1 A 11 11 LEU CA C 11 51.523 53.309 -1.786 1
1 69 . 12 1 1 A 11 11 LEU CB C 11 41.767 42.317 -0.550 1
1 73 . 12 1 1 A 11 11 LEU N N 11 123.872 125.658 -1.786 1
1 74 . 12 1 1 A 12 12 VAL H H 12 8.956 8.813 0.143 1
1 75 . 12 1 1 A 12 12 VAL HA H 12 4.044 4.745 -0.701 1
1 83 . 12 1 1 A 12 12 VAL C C 12 171.356 174.694 -3.338 1
1 84 . 12 1 1 A 12 12 VAL CA C 12 59.549 61.279 -1.730 1
1 85 . 12 1 1 A 12 12 VAL CB C 12 31.500 33.946 -2.446 1
1 88 . 12 1 1 A 12 12 VAL N N 12 122.036 125.934 -3.898 1
1 89 . 12 1 1 A 13 13 ARG H H 13 9.211 8.851 0.360 1
1 90 . 12 1 1 A 13 13 ARG HA H 13 4.434 4.774 -0.340 1
1 98 . 12 1 1 A 13 13 ARG C C 13 171.964 175.092 -3.128 1
1 99 . 12 1 1 A 13 13 ARG CA C 13 52.791 54.983 -2.192 1
1 100 . 12 1 1 A 13 13 ARG CB C 13 29.067 31.944 -2.877 1
1 103 . 12 1 1 A 13 13 ARG N N 13 125.178 126.741 -1.563 1
1 105 . 12 1 1 A 14 14 ILE H H 14 8.811 8.808 0.003 1
1 106 . 12 1 1 A 14 14 ILE HA H 14 4.592 4.734 -0.142 1
1 116 . 12 1 1 A 14 14 ILE C C 14 173.197 174.863 -1.666 1
1 117 . 12 1 1 A 14 14 ILE CA C 14 55.308 60.110 -4.802 1
1 118 . 12 1 1 A 14 14 ILE CB C 14 36.411 39.801 -3.390 1
1 122 . 12 1 1 A 14 14 ILE N N 14 122.061 123.918 -1.857 1
1 123 . 12 1 1 A 15 15 TYR H H 15 8.781 8.905 -0.124 1
1 124 . 12 1 1 A 15 15 TYR HA H 15 5.103 4.895 0.208 1
1 131 . 12 1 1 A 15 15 TYR C C 15 172.764 175.540 -2.776 1
1 132 . 12 1 1 A 15 15 TYR CA C 15 53.740 57.499 -3.759 1
1 133 . 12 1 1 A 15 15 TYR CB C 15 37.340 37.722 -0.382 1
1 138 . 12 1 1 A 15 15 TYR N N 15 125.241 127.554 -2.313 1
1 139 . 12 1 1 A 16 16 THR H H 16 8.961 8.965 -0.004 1
1 140 . 12 1 1 A 16 16 THR HA H 16 4.806 4.596 0.210 1
1 145 . 12 1 1 A 16 16 THR C C 16 171.478 173.341 -1.863 1
1 146 . 12 1 1 A 16 16 THR CA C 16 59.180 62.939 -3.759 1
1 147 . 12 1 1 A 16 16 THR CB C 16 68.174 69.762 -1.588 1
1 149 . 12 1 1 A 16 16 THR N N 16 116.007 120.840 -4.833 1
1 150 . 12 1 1 A 17 17 LYS H H 17 8.397 8.586 -0.189 1
1 151 . 12 1 1 A 17 17 LYS HA H 17 4.446 4.941 -0.495 1
1 160 . 12 1 1 A 17 17 LYS C C 17 170.870 174.575 -3.705 1
1 161 . 12 1 1 A 17 17 LYS CA C 17 50.238 52.588 -2.350 1
1 162 . 12 1 1 A 17 17 LYS CB C 17 32.677 33.724 -1.047 1
1 166 . 12 1 1 A 17 17 LYS N N 17 125.122 128.688 -3.566 1
1 167 . 12 1 1 A 18 18 PRO HA H 18 4.474 4.545 -0.071 1
1 174 . 12 1 1 A 18 18 PRO C C 18 174.170 177.146 -2.976 1
1 175 . 12 1 1 A 18 18 PRO CA C 18 59.250 62.758 -3.508 1
1 176 . 12 1 1 A 18 18 PRO CB C 18 29.517 31.895 -2.378 1
1 179 . 12 1 1 A 19 19 LYS H H 19 8.467 8.456 0.011 1
1 180 . 12 1 1 A 19 19 LYS HA H 19 3.887 4.077 -0.190 1
1 187 . 12 1 1 A 19 19 LYS C C 19 175.944 177.108 -1.164 1
1 188 . 12 1 1 A 19 19 LYS CA C 19 55.732 56.911 -1.179 1
1 189 . 12 1 1 A 19 19 LYS CB C 19 29.818 32.007 -2.189 1
1 193 . 12 1 1 A 19 19 LYS N N 19 121.921 120.004 1.917 1
1 194 . 12 1 1 A 20 20 GLY HA2 H 20 3.958 4.004 -0.046 1
1 195 . 12 1 1 A 20 20 GLY HA3 H 20 3.676 4.005 -0.329 1
1 196 . 12 1 1 A 20 20 GLY C C 20 171.329 174.539 -3.210 1
1 197 . 12 1 1 A 20 20 GLY CA C 20 43.304 45.420 -2.116 1
1 198 . 12 1 1 A 21 21 GLN H H 21 7.553 7.923 -0.370 1
1 199 . 12 1 1 A 21 21 GLN HA H 21 4.581 4.348 0.233 1
1 206 . 12 1 1 A 21 21 GLN C C 21 172.091 175.932 -3.841 1
1 207 . 12 1 1 A 21 21 GLN CA C 21 51.330 56.202 -4.872 1
1 208 . 12 1 1 A 21 21 GLN CB C 21 29.767 30.272 -0.505 1
1 210 . 12 1 1 A 21 21 GLN N N 21 117.269 120.380 -3.111 1
1 212 . 12 1 1 A 22 22 LEU H H 22 8.048 8.479 -0.431 1
1 213 . 12 1 1 A 22 22 LEU HA H 22 4.292 4.762 -0.470 1
1 223 . 12 1 1 A 22 22 LEU C C 22 171.986 175.106 -3.120 1
1 224 . 12 1 1 A 22 22 LEU CA C 22 50.950 52.720 -1.770 1
1 225 . 12 1 1 A 22 22 LEU CB C 22 38.362 42.225 -3.863 1
1 229 . 12 1 1 A 22 22 LEU N N 22 119.689 119.697 -0.008 1
1 230 . 12 1 1 A 23 23 PRO HA H 23 4.196 4.894 -0.698 1
1 237 . 12 1 1 A 23 23 PRO C C 23 172.331 176.359 -4.028 1
1 238 . 12 1 1 A 23 23 PRO CA C 23 59.882 62.454 -2.572 1
1 239 . 12 1 1 A 23 23 PRO CB C 23 28.948 31.241 -2.293 1
1 242 . 12 1 1 A 24 24 ASP H H 24 8.191 8.380 -0.189 1
1 243 . 12 1 1 A 24 24 ASP HA H 24 4.649 4.474 0.175 1
1 246 . 12 1 1 A 24 24 ASP C C 24 175.312 175.903 -0.591 1
1 247 . 12 1 1 A 24 24 ASP CA C 24 49.710 54.333 -4.623 1
1 248 . 12 1 1 A 24 24 ASP CB C 24 37.229 40.451 -3.222 1
1 249 . 12 1 1 A 24 24 ASP N N 24 118.307 121.946 -3.639 1
1 250 . 12 1 1 A 25 25 TYR H H 25 8.171 8.597 -0.426 1
1 251 . 12 1 1 A 25 25 TYR HA H 25 4.173 4.700 -0.527 1
1 258 . 12 1 1 A 25 25 TYR C C 25 173.720 176.002 -2.282 1
1 259 . 12 1 1 A 25 25 TYR CA C 25 57.297 58.286 -0.989 1
1 260 . 12 1 1 A 25 25 TYR CB C 25 34.897 38.576 -3.679 1
1 265 . 12 1 1 A 25 25 TYR N N 25 123.576 123.174 0.402 1
1 266 . 12 1 1 A 26 26 THR H H 26 8.278 8.216 0.062 1
1 267 . 12 1 1 A 26 26 THR HA H 26 4.343 4.705 -0.362 1
1 272 . 12 1 1 A 26 26 THR C C 26 173.145 174.865 -1.720 1
1 273 . 12 1 1 A 26 26 THR CA C 26 60.799 63.275 -2.476 1
1 274 . 12 1 1 A 26 26 THR CB C 26 67.379 70.918 -3.539 1
1 276 . 12 1 1 A 26 26 THR N N 26 109.145 114.462 -5.317 1
1 277 . 12 1 1 A 27 27 SER H H 27 7.085 8.067 -0.982 1
1 278 . 12 1 1 A 27 27 SER HA H 27 5.002 4.871 0.131 1
1 281 . 12 1 1 A 27 27 SER C C 27 169.729 172.506 -2.777 1
1 282 . 12 1 1 A 27 27 SER CA C 27 52.526 56.022 -3.496 1
1 283 . 12 1 1 A 27 27 SER CB C 27 61.215 63.648 -2.433 1
1 284 . 12 1 1 A 27 27 SER N N 27 114.134 115.613 -1.479 1
1 285 . 12 1 1 A 28 28 PRO HA H 28 4.553 4.636 -0.083 1
1 292 . 12 1 1 A 28 28 PRO C C 28 174.448 175.474 -1.026 1
1 293 . 12 1 1 A 28 28 PRO CA C 28 60.482 62.458 -1.976 1
1 294 . 12 1 1 A 28 28 PRO CB C 28 29.224 32.736 -3.512 1
1 297 . 12 1 1 A 29 29 VAL H H 29 9.191 8.020 1.171 1
1 298 . 12 1 1 A 29 29 VAL HA H 29 3.946 4.497 -0.551 1
1 306 . 12 1 1 A 29 29 VAL C C 29 172.641 174.225 -1.584 1
1 307 . 12 1 1 A 29 29 VAL CA C 29 60.367 60.702 -0.335 1
1 308 . 12 1 1 A 29 29 VAL CB C 29 30.546 33.897 -3.351 1
1 311 . 12 1 1 A 29 29 VAL N N 29 123.735 121.113 2.622 1
1 312 . 12 1 1 A 30 30 VAL H H 30 8.169 8.748 -0.579 1
1 313 . 12 1 1 A 30 30 VAL HA H 30 4.940 4.286 0.654 1
1 321 . 12 1 1 A 30 30 VAL C C 30 173.560 175.319 -1.759 1
1 322 . 12 1 1 A 30 30 VAL CA C 30 58.568 62.700 -4.132 1
1 323 . 12 1 1 A 30 30 VAL CB C 30 30.303 31.148 -0.845 1
1 326 . 12 1 1 A 30 30 VAL N N 30 125.255 130.317 -5.062 1
1 327 . 12 1 1 A 31 31 LEU H H 31 8.889 8.896 -0.007 1
1 328 . 12 1 1 A 31 31 LEU HA H 31 4.816 4.753 0.063 1
1 338 . 12 1 1 A 31 31 LEU C C 31 171.113 174.875 -3.762 1
1 339 . 12 1 1 A 31 31 LEU CA C 31 48.760 51.771 -3.011 1
1 340 . 12 1 1 A 31 31 LEU CB C 31 40.938 42.870 -1.932 1
1 344 . 12 1 1 A 31 31 LEU N N 31 127.017 128.980 -1.963 1
1 345 . 12 1 1 A 32 32 PRO HA H 32 4.531 4.675 -0.144 1
1 352 . 12 1 1 A 32 32 PRO C C 32 174.294 177.532 -3.238 1
1 353 . 12 1 1 A 32 32 PRO CA C 32 59.648 62.819 -3.171 1
1 354 . 12 1 1 A 32 32 PRO CB C 32 29.349 31.648 -2.299 1
1 357 . 12 1 1 A 33 33 TYR H H 33 8.105 8.723 -0.618 1
1 358 . 12 1 1 A 33 33 TYR HA H 33 3.788 3.967 -0.179 1
1 365 . 12 1 1 A 33 33 TYR C C 33 173.470 177.119 -3.649 1
1 366 . 12 1 1 A 33 33 TYR CA C 33 58.159 62.236 -4.077 1
1 367 . 12 1 1 A 33 33 TYR CB C 33 36.244 39.031 -2.787 1
1 372 . 12 1 1 A 33 33 TYR N N 33 120.060 126.138 -6.078 1
1 373 . 12 1 1 A 34 34 SER H H 34 7.868 8.436 -0.568 1
1 374 . 12 1 1 A 34 34 SER HA H 34 3.814 4.381 -0.567 1
1 377 . 12 1 1 A 34 34 SER C C 34 171.946 175.001 -3.055 1
1 378 . 12 1 1 A 34 34 SER CA C 34 58.212 61.471 -3.259 1
1 379 . 12 1 1 A 34 34 SER CB C 34 60.928 62.890 -1.962 1
1 380 . 12 1 1 A 34 34 SER N N 34 116.733 113.998 2.735 1
1 381 . 12 1 1 A 35 35 ARG H H 35 7.883 8.411 -0.528 1
1 382 . 12 1 1 A 35 35 ARG HA H 35 4.575 4.610 -0.035 1
1 389 . 12 1 1 A 35 35 ARG C C 35 172.091 174.608 -2.517 1
1 390 . 12 1 1 A 35 35 ARG CA C 35 52.067 54.876 -2.809 1
1 391 . 12 1 1 A 35 35 ARG CB C 35 28.228 31.323 -3.095 1
1 394 . 12 1 1 A 35 35 ARG N N 35 125.492 119.371 6.121 1
1 395 . 12 1 1 A 36 36 THR H H 36 7.874 8.554 -0.680 1
1 396 . 12 1 1 A 36 36 THR HA H 36 4.613 5.318 -0.705 1
1 401 . 12 1 1 A 36 36 THR C C 36 173.095 173.362 -0.267 1
1 402 . 12 1 1 A 36 36 THR CA C 36 57.029 60.597 -3.568 1
1 403 . 12 1 1 A 36 36 THR CB C 36 66.113 70.692 -4.579 1
1 405 . 12 1 1 A 36 36 THR N N 36 107.510 114.250 -6.740 1
1 406 . 12 1 1 A 37 37 THR H H 37 8.804 8.419 0.385 1
1 407 . 12 1 1 A 37 37 THR HA H 37 5.288 4.648 0.640 1
1 412 . 12 1 1 A 37 37 THR C C 37 174.234 174.487 -0.253 1
1 413 . 12 1 1 A 37 37 THR CA C 37 59.681 60.366 -0.685 1
1 414 . 12 1 1 A 37 37 THR CB C 37 70.032 70.853 -0.821 1
1 416 . 12 1 1 A 37 37 THR N N 37 112.714 116.905 -4.191 1
1 417 . 12 1 1 A 38 38 VAL H H 38 8.269 8.673 -0.404 1
1 418 . 12 1 1 A 38 38 VAL HA H 38 3.485 3.563 -0.078 1
1 426 . 12 1 1 A 38 38 VAL C C 38 175.909 177.423 -1.514 1
1 427 . 12 1 1 A 38 38 VAL CA C 38 64.496 66.332 -1.836 1
1 428 . 12 1 1 A 38 38 VAL CB C 38 29.015 31.383 -2.368 1
1 431 . 12 1 1 A 38 38 VAL N N 38 121.372 122.373 -1.001 1
1 432 . 12 1 1 A 39 39 GLU H H 39 8.597 8.306 0.291 1
1 433 . 12 1 1 A 39 39 GLU HA H 39 3.495 3.945 -0.450 1
1 438 . 12 1 1 A 39 39 GLU C C 39 174.769 177.785 -3.016 1
1 439 . 12 1 1 A 39 39 GLU CA C 39 58.418 58.542 -0.124 1
1 440 . 12 1 1 A 39 39 GLU CB C 39 27.358 28.166 -0.808 1
1 442 . 12 1 1 A 39 39 GLU N N 39 121.954 119.136 2.818 1
1 443 . 12 1 1 A 40 40 ASP H H 40 7.493 7.794 -0.301 1
1 444 . 12 1 1 A 40 40 ASP HA H 40 4.071 4.473 -0.402 1
1 447 . 12 1 1 A 40 40 ASP C C 40 176.738 178.476 -1.738 1
1 448 . 12 1 1 A 40 40 ASP CA C 40 55.877 56.952 -1.075 1
1 449 . 12 1 1 A 40 40 ASP CB C 40 38.721 40.968 -2.247 1
1 450 . 12 1 1 A 40 40 ASP N N 40 119.054 119.886 -0.832 1
1 451 . 12 1 1 A 41 41 PHE H H 41 8.429 8.150 0.279 1
1 452 . 12 1 1 A 41 41 PHE HA H 41 3.750 4.059 -0.309 1
1 460 . 12 1 1 A 41 41 PHE C C 41 173.786 177.499 -3.713 1
1 461 . 12 1 1 A 41 41 PHE CA C 41 59.851 60.936 -1.085 1
1 462 . 12 1 1 A 41 41 PHE CB C 41 36.135 38.917 -2.782 1
1 468 . 12 1 1 A 41 41 PHE N N 41 121.017 122.247 -1.230 1
1 469 . 12 1 1 A 42 42 CYS H H 42 8.527 8.132 0.395 1
1 470 . 12 1 1 A 42 42 CYS HA H 42 3.752 4.276 -0.524 1
1 473 . 12 1 1 A 42 42 CYS C C 42 174.065 177.344 -3.279 1
1 474 . 12 1 1 A 42 42 CYS CA C 42 62.453 62.158 0.295 1
1 475 . 12 1 1 A 42 42 CYS CB C 42 24.429 27.245 -2.816 1
1 476 . 12 1 1 A 42 42 CYS N N 42 116.390 117.792 -1.402 1
1 477 . 12 1 1 A 43 43 MET H H 43 7.739 8.340 -0.601 1
1 478 . 12 1 1 A 43 43 MET HA H 43 3.885 4.121 -0.236 1
1 486 . 12 1 1 A 43 43 MET C C 43 175.345 178.557 -3.212 1
1 487 . 12 1 1 A 43 43 MET CA C 43 54.460 58.486 -4.026 1
1 488 . 12 1 1 A 43 43 MET CB C 43 28.872 32.646 -3.774 1
1 491 . 12 1 1 A 43 43 MET N N 43 114.377 119.348 -4.971 1
1 492 . 12 1 1 A 44 44 LYS H H 44 7.257 7.315 -0.058 1
1 493 . 12 1 1 A 44 44 LYS HA H 44 3.896 3.932 -0.036 1
1 502 . 12 1 1 A 44 44 LYS C C 44 175.198 178.497 -3.299 1
1 503 . 12 1 1 A 44 44 LYS CA C 44 54.181 58.697 -4.516 1
1 504 . 12 1 1 A 44 44 LYS CB C 44 29.291 32.277 -2.986 1
1 508 . 12 1 1 A 44 44 LYS N N 44 117.480 118.335 -0.855 1
1 509 . 12 1 1 A 45 45 ILE H H 45 7.146 7.177 -0.031 1
1 510 . 12 1 1 A 45 45 ILE HA H 45 3.697 3.982 -0.285 1
1 520 . 12 1 1 A 45 45 ILE C C 45 174.894 175.992 -1.098 1
1 521 . 12 1 1 A 45 45 ILE CA C 45 59.954 62.945 -2.991 1
1 522 . 12 1 1 A 45 45 ILE CB C 45 33.943 38.616 -4.673 1
1 526 . 12 1 1 A 45 45 ILE N N 45 119.267 116.713 2.554 1
1 527 . 12 1 1 A 46 46 HIS H H 46 7.982 8.198 -0.216 1
1 528 . 12 1 1 A 46 46 HIS HA H 46 4.200 4.833 -0.633 1
1 533 . 12 1 1 A 46 46 HIS C C 46 173.349 175.081 -1.732 1
1 534 . 12 1 1 A 46 46 HIS CA C 46 56.363 55.995 0.368 1
1 535 . 12 1 1 A 46 46 HIS CB C 46 30.998 32.407 -1.409 1
1 538 . 12 1 1 A 46 46 HIS N N 46 116.498 117.147 -0.649 1
1 539 . 12 1 1 A 47 47 LYS H H 47 8.478 8.626 -0.148 1
1 540 . 12 1 1 A 47 47 LYS HA H 47 4.091 3.757 0.334 1
1 545 . 12 1 1 A 47 47 LYS C C 47 174.519 178.135 -3.616 1
1 546 . 12 1 1 A 47 47 LYS CA C 47 57.279 60.389 -3.110 1
1 547 . 12 1 1 A 47 47 LYS CB C 47 29.709 32.159 -2.450 1
1 551 . 12 1 1 A 47 47 LYS N N 47 127.686 125.715 1.971 1
1 552 . 12 1 1 A 48 48 ASN H H 48 10.623 8.446 2.177 1
1 553 . 12 1 1 A 48 48 ASN HA H 48 4.839 4.496 0.343 1
1 558 . 12 1 1 A 48 48 ASN C C 48 175.138 177.284 -2.146 1
1 559 . 12 1 1 A 48 48 ASN CA C 48 50.960 56.255 -5.295 1
1 560 . 12 1 1 A 48 48 ASN CB C 48 36.975 39.638 -2.663 1
1 561 . 12 1 1 A 48 48 ASN N N 48 118.711 118.076 0.635 1
1 563 . 12 1 1 A 49 49 LEU H H 49 7.796 8.591 -0.795 1
1 564 . 12 1 1 A 49 49 LEU HA H 49 4.103 3.996 0.107 1
1 574 . 12 1 1 A 49 49 LEU C C 49 176.976 178.527 -1.551 1
1 575 . 12 1 1 A 49 49 LEU CA C 49 56.381 58.762 -2.381 1
1 576 . 12 1 1 A 49 49 LEU CB C 49 39.064 42.059 -2.995 1
1 580 . 12 1 1 A 49 49 LEU N N 49 124.676 120.378 4.298 1
1 581 . 12 1 1 A 50 50 ILE H H 50 9.052 7.893 1.159 1
1 582 . 12 1 1 A 50 50 ILE HA H 50 4.060 3.839 0.221 1
1 592 . 12 1 1 A 50 50 ILE C C 50 173.983 177.581 -3.598 1
1 593 . 12 1 1 A 50 50 ILE CA C 50 57.842 64.439 -6.597 1
1 594 . 12 1 1 A 50 50 ILE CB C 50 35.943 37.787 -1.844 1
1 598 . 12 1 1 A 50 50 ILE N N 50 116.565 119.015 -2.450 1
1 599 . 12 1 1 A 51 51 LYS H H 51 7.275 8.276 -1.001 1
1 600 . 12 1 1 A 51 51 LYS HA H 51 4.143 3.965 0.178 1
1 609 . 12 1 1 A 51 51 LYS C C 51 175.668 178.670 -3.002 1
1 610 . 12 1 1 A 51 51 LYS CA C 51 55.696 60.313 -4.617 1
1 611 . 12 1 1 A 51 51 LYS CB C 51 29.767 31.908 -2.141 1
1 615 . 12 1 1 A 51 51 LYS N N 51 119.864 121.784 -1.920 1
1 616 . 12 1 1 A 52 52 GLU H H 52 7.590 7.762 -0.172 1
1 617 . 12 1 1 A 52 52 GLU HA H 52 4.319 4.350 -0.031 1
1 622 . 12 1 1 A 52 52 GLU C C 52 173.088 176.648 -3.560 1
1 623 . 12 1 1 A 52 52 GLU CA C 52 53.301 56.971 -3.670 1
1 624 . 12 1 1 A 52 52 GLU CB C 52 28.778 30.093 -1.315 1
1 626 . 12 1 1 A 52 52 GLU N N 52 116.453 116.291 0.162 1
1 627 . 12 1 1 A 53 53 PHE H H 53 7.423 8.167 -0.744 1
1 628 . 12 1 1 A 53 53 PHE HA H 53 3.608 4.555 -0.947 1
1 636 . 12 1 1 A 53 53 PHE C C 53 170.946 175.475 -4.529 1
1 637 . 12 1 1 A 53 53 PHE CA C 53 57.983 57.877 0.106 1
1 638 . 12 1 1 A 53 53 PHE CB C 53 38.913 39.340 -0.427 1
1 644 . 12 1 1 A 53 53 PHE N N 53 120.950 123.148 -2.198 1
1 645 . 12 1 1 A 54 54 LYS H H 54 8.385 8.458 -0.073 1
1 646 . 12 1 1 A 54 54 LYS HA H 54 4.268 3.997 0.271 1
1 655 . 12 1 1 A 54 54 LYS C C 54 173.038 175.322 -2.284 1
1 656 . 12 1 1 A 54 54 LYS CA C 54 55.263 57.434 -2.171 1
1 657 . 12 1 1 A 54 54 LYS CB C 54 32.730 33.386 -0.656 1
1 661 . 12 1 1 A 54 54 LYS N N 54 128.686 127.441 1.245 1
1 662 . 12 1 1 A 55 55 TYR H H 55 7.083 7.000 0.083 1
1 663 . 12 1 1 A 55 55 TYR HA H 55 4.120 4.563 -0.443 1
1 670 . 12 1 1 A 55 55 TYR C C 55 168.503 173.147 -4.644 1
1 671 . 12 1 1 A 55 55 TYR CA C 55 55.198 55.989 -0.791 1
1 672 . 12 1 1 A 55 55 TYR CB C 55 35.633 40.059 -4.426 1
1 677 . 12 1 1 A 55 55 TYR N N 55 110.963 112.747 -1.784 1
1 678 . 12 1 1 A 56 56 ALA H H 56 8.836 8.666 0.170 1
1 679 . 12 1 1 A 56 56 ALA HA H 56 5.293 5.278 0.015 1
1 683 . 12 1 1 A 56 56 ALA C C 56 172.993 175.936 -2.943 1
1 684 . 12 1 1 A 56 56 ALA CA C 56 47.088 50.695 -3.607 1
1 685 . 12 1 1 A 56 56 ALA CB C 56 20.287 22.586 -2.299 1
1 686 . 12 1 1 A 56 56 ALA N N 56 118.379 122.060 -3.681 1
1 687 . 12 1 1 A 57 57 LEU H H 57 8.880 8.855 0.025 1
1 688 . 12 1 1 A 57 57 LEU HA H 57 4.854 4.713 0.141 1
1 698 . 12 1 1 A 57 57 LEU C C 57 172.904 175.298 -2.394 1
1 699 . 12 1 1 A 57 57 LEU CA C 57 50.872 53.386 -2.514 1
1 700 . 12 1 1 A 57 57 LEU CB C 57 42.160 41.433 0.727 1
1 704 . 12 1 1 A 57 57 LEU N N 57 121.382 122.957 -1.575 1
1 705 . 12 1 1 A 58 58 VAL H H 58 8.123 8.392 -0.269 1
1 706 . 12 1 1 A 58 58 VAL HA H 58 5.243 4.471 0.772 1
1 714 . 12 1 1 A 58 58 VAL C C 58 171.929 175.357 -3.428 1
1 715 . 12 1 1 A 58 58 VAL CA C 58 57.683 62.441 -4.758 1
1 716 . 12 1 1 A 58 58 VAL CB C 58 33.036 32.114 0.922 1
1 719 . 12 1 1 A 58 58 VAL N N 58 120.400 124.343 -3.943 1
1 720 . 12 1 1 A 59 59 TRP H H 59 9.316 8.800 0.516 1
1 721 . 12 1 1 A 59 59 TRP HA H 59 4.843 5.153 -0.310 1
1 730 . 12 1 1 A 59 59 TRP C C 59 173.582 176.594 -3.012 1
1 731 . 12 1 1 A 59 59 TRP CA C 59 54.736 55.168 -0.432 1
1 732 . 12 1 1 A 59 59 TRP CB C 59 30.514 30.826 -0.312 1
1 738 . 12 1 1 A 59 59 TRP N N 59 127.196 127.098 0.098 1
1 740 . 12 1 1 A 60 60 GLY H H 60 8.531 8.368 0.163 1
1 741 . 12 1 1 A 60 60 GLY HA2 H 60 4.934 4.277 0.657 1
1 742 . 12 1 1 A 60 60 GLY HA3 H 60 4.123 4.279 -0.156 1
1 743 . 12 1 1 A 60 60 GLY C C 60 171.378 174.080 -2.702 1
1 744 . 12 1 1 A 60 60 GLY CA C 60 42.587 46.084 -3.497 1
1 745 . 12 1 1 A 60 60 GLY N N 60 110.481 110.474 0.007 1
1 746 . 12 1 1 A 61 61 LEU H H 61 8.188 8.877 -0.689 1
1 747 . 12 1 1 A 61 61 LEU HA H 61 4.141 4.000 0.141 1
1 757 . 12 1 1 A 61 61 LEU C C 61 176.897 179.276 -2.379 1
1 758 . 12 1 1 A 61 61 LEU CA C 61 54.357 57.175 -2.818 1
1 759 . 12 1 1 A 61 61 LEU CB C 61 39.942 41.414 -1.472 1
1 763 . 12 1 1 A 61 61 LEU N N 61 118.667 121.004 -2.337 1
1 764 . 12 1 1 A 62 62 SER H H 62 8.123 7.858 0.265 1
1 765 . 12 1 1 A 62 62 SER HA H 62 4.284 4.273 0.011 1
1 768 . 12 1 1 A 62 62 SER C C 62 171.932 173.814 -1.882 1
1 769 . 12 1 1 A 62 62 SER CA C 62 57.279 61.019 -3.740 1
1 770 . 12 1 1 A 62 62 SER CB C 62 60.354 63.167 -2.813 1
1 771 . 12 1 1 A 62 62 SER N N 62 110.946 113.416 -2.470 1
1 772 . 12 1 1 A 63 63 VAL H H 63 7.174 7.350 -0.176 1
1 773 . 12 1 1 A 63 63 VAL HA H 63 4.503 4.651 -0.148 1
1 781 . 12 1 1 A 63 63 VAL C C 63 173.221 175.781 -2.560 1
1 782 . 12 1 1 A 63 63 VAL CA C 63 57.573 58.626 -1.053 1
1 783 . 12 1 1 A 63 63 VAL CB C 63 31.826 35.334 -3.508 1
1 786 . 12 1 1 A 63 63 VAL N N 63 114.625 115.614 -0.989 1
1 787 . 12 1 1 A 64 64 LYS H H 64 8.112 8.775 -0.663 1
1 788 . 12 1 1 A 64 64 LYS HA H 64 4.105 4.284 -0.179 1
1 796 . 12 1 1 A 64 64 LYS C C 64 174.259 176.839 -2.580 1
1 797 . 12 1 1 A 64 64 LYS CA C 64 54.586 57.807 -3.221 1
1 798 . 12 1 1 A 64 64 LYS CB C 64 30.837 33.190 -2.353 1
1 802 . 12 1 1 A 64 64 LYS N N 64 119.722 121.891 -2.169 1
1 803 . 12 1 1 A 65 65 HIS H H 65 7.496 8.042 -0.546 1
1 804 . 12 1 1 A 65 65 HIS HA H 65 4.497 5.222 -0.725 1
1 809 . 12 1 1 A 65 65 HIS C C 65 170.028 174.544 -4.516 1
1 810 . 12 1 1 A 65 65 HIS CA C 65 52.491 54.594 -2.103 1
1 811 . 12 1 1 A 65 65 HIS CB C 65 29.149 31.989 -2.840 1
1 814 . 12 1 1 A 65 65 HIS N N 65 117.336 115.549 1.787 1
1 815 . 12 1 1 A 66 66 ASN H H 66 8.135 9.253 -1.118 1
1 816 . 12 1 1 A 66 66 ASN HA H 66 4.986 5.270 -0.284 1
1 821 . 12 1 1 A 66 66 ASN C C 66 171.088 173.085 -1.997 1
1 822 . 12 1 1 A 66 66 ASN CA C 66 47.732 50.226 -2.494 1
1 823 . 12 1 1 A 66 66 ASN CB C 66 39.365 40.827 -1.462 1
1 824 . 12 1 1 A 66 66 ASN N N 66 118.616 120.935 -2.319 1
1 826 . 12 1 1 A 67 67 PRO HA H 67 4.408 4.249 0.159 1
1 833 . 12 1 1 A 67 67 PRO C C 67 173.325 175.260 -1.935 1
1 834 . 12 1 1 A 67 67 PRO CA C 67 60.535 62.732 -2.197 1
1 835 . 12 1 1 A 67 67 PRO CB C 67 31.065 32.830 -1.765 1
1 838 . 12 1 1 A 68 68 GLN H H 68 8.323 8.353 -0.030 1
1 839 . 12 1 1 A 68 68 GLN HA H 68 4.295 4.702 -0.407 1
1 846 . 12 1 1 A 68 68 GLN C C 68 172.005 174.259 -2.254 1
1 847 . 12 1 1 A 68 68 GLN CA C 68 51.805 54.763 -2.958 1
1 848 . 12 1 1 A 68 68 GLN CB C 68 30.014 32.270 -2.256 1
1 850 . 12 1 1 A 68 68 GLN N N 68 118.089 121.500 -3.411 1
1 852 . 12 1 1 A 69 69 LYS H H 69 8.268 8.324 -0.056 1
1 853 . 12 1 1 A 69 69 LYS HA H 69 4.907 4.439 0.468 1
1 862 . 12 1 1 A 69 69 LYS C C 69 174.226 176.219 -1.993 1
1 863 . 12 1 1 A 69 69 LYS CA C 69 53.598 56.441 -2.843 1
1 864 . 12 1 1 A 69 69 LYS CB C 69 30.096 32.709 -2.613 1
1 868 . 12 1 1 A 69 69 LYS N N 69 125.766 127.572 -1.806 1
1 869 . 12 1 1 A 70 70 VAL H H 70 9.409 8.835 0.574 1
1 870 . 12 1 1 A 70 70 VAL HA H 70 4.723 5.003 -0.280 1
1 878 . 12 1 1 A 70 70 VAL C C 70 172.498 176.145 -3.647 1
1 879 . 12 1 1 A 70 70 VAL CA C 70 56.680 60.045 -3.365 1
1 880 . 12 1 1 A 70 70 VAL CB C 70 33.332 34.084 -0.752 1
1 883 . 12 1 1 A 70 70 VAL N N 70 120.660 121.734 -1.074 1
1 884 . 12 1 1 A 71 71 GLY H H 71 8.445 8.526 -0.081 1
1 885 . 12 1 1 A 71 71 GLY HA2 H 71 4.961 4.270 0.691 1
1 886 . 12 1 1 A 71 71 GLY HA3 H 71 3.898 4.366 -0.468 1
1 887 . 12 1 1 A 71 71 GLY C C 71 172.669 174.834 -2.165 1
1 888 . 12 1 1 A 71 71 GLY CA C 71 40.896 44.413 -3.517 1
1 889 . 12 1 1 A 71 71 GLY N N 71 106.755 109.796 -3.041 1
1 890 . 12 1 1 A 72 72 LYS H H 72 8.573 8.971 -0.398 1
1 891 . 12 1 1 A 72 72 LYS HA H 72 3.454 3.956 -0.502 1
1 900 . 12 1 1 A 72 72 LYS C C 72 172.853 178.490 -5.637 1
1 901 . 12 1 1 A 72 72 LYS CA C 72 56.108 58.626 -2.518 1
1 902 . 12 1 1 A 72 72 LYS CB C 72 29.993 32.343 -2.350 1
1 906 . 12 1 1 A 72 72 LYS N N 72 114.685 118.149 -3.464 1
1 907 . 12 1 1 A 73 73 ASP H H 73 8.517 7.777 0.740 1
1 908 . 12 1 1 A 73 73 ASP HA H 73 4.543 4.604 -0.061 1
1 911 . 12 1 1 A 73 73 ASP C C 73 173.041 176.600 -3.559 1
1 912 . 12 1 1 A 73 73 ASP CA C 73 51.118 56.133 -5.015 1
1 913 . 12 1 1 A 73 73 ASP CB C 73 38.311 41.541 -3.230 1
1 914 . 12 1 1 A 73 73 ASP N N 73 115.449 119.318 -3.869 1
1 915 . 12 1 1 A 74 74 HIS H H 74 7.173 7.579 -0.406 1
1 916 . 12 1 1 A 74 74 HIS HA H 74 4.084 4.320 -0.236 1
1 921 . 12 1 1 A 74 74 HIS C C 74 172.466 174.529 -2.063 1
1 922 . 12 1 1 A 74 74 HIS CA C 74 55.483 57.850 -2.367 1
1 923 . 12 1 1 A 74 74 HIS CB C 74 29.868 30.670 -0.802 1
1 926 . 12 1 1 A 74 74 HIS N N 74 120.387 119.867 0.520 1
1 927 . 12 1 1 A 75 75 THR H H 75 7.573 7.905 -0.332 1
1 928 . 12 1 1 A 75 75 THR HA H 75 3.562 4.569 -1.007 1
1 933 . 12 1 1 A 75 75 THR C C 75 170.555 174.024 -3.469 1
1 934 . 12 1 1 A 75 75 THR CA C 75 61.656 61.446 0.210 1
1 935 . 12 1 1 A 75 75 THR CB C 75 66.449 69.882 -3.433 1
1 937 . 12 1 1 A 75 75 THR N N 75 123.519 120.273 3.246 1
1 938 . 12 1 1 A 76 76 LEU H H 76 8.300 8.759 -0.459 1
1 939 . 12 1 1 A 76 76 LEU HA H 76 4.187 4.942 -0.755 1
1 949 . 12 1 1 A 76 76 LEU C C 76 174.153 175.780 -1.627 1
1 950 . 12 1 1 A 76 76 LEU CA C 76 52.201 53.287 -1.086 1
1 951 . 12 1 1 A 76 76 LEU CB C 76 40.188 43.455 -3.267 1
1 955 . 12 1 1 A 76 76 LEU N N 76 127.705 126.996 0.709 1
1 956 . 12 1 1 A 77 77 GLU H H 77 9.006 9.112 -0.106 1
1 957 . 12 1 1 A 77 77 GLU HA H 77 4.295 4.795 -0.500 1
1 962 . 12 1 1 A 77 77 GLU C C 77 172.035 175.434 -3.399 1
1 963 . 12 1 1 A 77 77 GLU CA C 77 51.734 53.847 -2.113 1
1 964 . 12 1 1 A 77 77 GLU CB C 77 30.671 31.282 -0.611 1
1 966 . 12 1 1 A 77 77 GLU N N 77 120.330 120.457 -0.127 1
1 967 . 12 1 1 A 78 78 ASP H H 78 8.375 8.661 -0.286 1
1 968 . 12 1 1 A 78 78 ASP HA H 78 4.289 4.543 -0.254 1
1 971 . 12 1 1 A 78 78 ASP C C 78 174.522 175.780 -1.258 1
1 972 . 12 1 1 A 78 78 ASP CA C 78 54.779 54.061 0.718 1
1 973 . 12 1 1 A 78 78 ASP CB C 78 39.200 41.341 -2.141 1
1 974 . 12 1 1 A 78 78 ASP N N 78 116.751 118.691 -1.940 1
1 975 . 12 1 1 A 79 79 GLU H H 79 9.867 8.922 0.945 1
1 976 . 12 1 1 A 79 79 GLU HA H 79 3.685 3.969 -0.284 1
1 981 . 12 1 1 A 79 79 GLU C C 79 172.755 174.669 -1.914 1
1 982 . 12 1 1 A 79 79 GLU CA C 79 57.384 57.483 -0.099 1
1 983 . 12 1 1 A 79 79 GLU CB C 79 24.429 28.274 -3.845 1
1 985 . 12 1 1 A 79 79 GLU N N 79 119.409 116.704 2.705 1
1 986 . 12 1 1 A 80 80 ASP H H 80 8.212 7.626 0.586 1
1 987 . 12 1 1 A 80 80 ASP HA H 80 4.833 5.339 -0.506 1
1 990 . 12 1 1 A 80 80 ASP C C 80 171.935 174.951 -3.016 1
1 991 . 12 1 1 A 80 80 ASP CA C 80 53.900 52.927 0.973 1
1 992 . 12 1 1 A 80 80 ASP CB C 80 39.633 44.147 -4.514 1
1 993 . 12 1 1 A 80 80 ASP N N 80 121.227 118.791 2.436 1
1 994 . 12 1 1 A 81 81 VAL H H 81 8.638 9.195 -0.557 1
1 995 . 12 1 1 A 81 81 VAL HA H 81 5.055 5.396 -0.341 1
1 1003 . 12 1 1 A 81 81 VAL C C 81 172.826 174.795 -1.969 1
1 1004 . 12 1 1 A 81 81 VAL CA C 81 57.723 61.985 -4.262 1
1 1005 . 12 1 1 A 81 81 VAL CB C 81 31.767 33.290 -1.523 1
1 1008 . 12 1 1 A 81 81 VAL N N 81 118.946 126.114 -7.168 1
1 1009 . 12 1 1 A 82 82 ILE H H 82 9.007 8.717 0.290 1
1 1010 . 12 1 1 A 82 82 ILE HA H 82 5.789 4.933 0.856 1
1 1020 . 12 1 1 A 82 82 ILE C C 82 170.143 173.312 -3.169 1
1 1021 . 12 1 1 A 82 82 ILE CA C 82 55.824 59.409 -3.585 1
1 1022 . 12 1 1 A 82 82 ILE CB C 82 41.574 41.677 -0.103 1
1 1026 . 12 1 1 A 82 82 ILE N N 82 124.391 128.929 -4.538 1
1 1027 . 12 1 1 A 83 83 GLN H H 83 9.415 8.988 0.427 1
1 1028 . 12 1 1 A 83 83 GLN HA H 83 4.815 4.847 -0.032 1
1 1035 . 12 1 1 A 83 83 GLN C C 83 172.719 174.518 -1.799 1
1 1036 . 12 1 1 A 83 83 GLN CA C 83 52.016 54.835 -2.819 1
1 1037 . 12 1 1 A 83 83 GLN CB C 83 32.094 30.183 1.911 1
1 1039 . 12 1 1 A 83 83 GLN N N 83 127.774 129.596 -1.822 1
1 1041 . 12 1 1 A 84 84 ILE H H 84 8.878 8.514 0.364 1
1 1042 . 12 1 1 A 84 84 ILE HA H 84 4.074 4.401 -0.327 1
1 1052 . 12 1 1 A 84 84 ILE C C 84 173.096 175.687 -2.591 1
1 1053 . 12 1 1 A 84 84 ILE CA C 84 57.372 61.260 -3.888 1
1 1054 . 12 1 1 A 84 84 ILE CB C 84 34.771 37.054 -2.283 1
1 1058 . 12 1 1 A 84 84 ILE N N 84 126.673 126.952 -0.279 1
1 1059 . 12 1 1 A 85 85 VAL H H 85 8.562 8.335 0.227 1
1 1060 . 12 1 1 A 85 85 VAL HA H 85 3.914 4.805 -0.891 1
1 1068 . 12 1 1 A 85 85 VAL C C 85 172.438 174.600 -2.162 1
1 1069 . 12 1 1 A 85 85 VAL CA C 85 60.112 59.632 0.480 1
1 1070 . 12 1 1 A 85 85 VAL CB C 85 28.964 33.054 -4.090 1
1 1073 . 12 1 1 A 85 85 VAL N N 85 130.400 122.914 7.486 1
1 1074 . 12 1 1 A 86 86 LYS H H 86 8.399 8.673 -0.274 1
1 1075 . 12 1 1 A 86 86 LYS HA H 86 4.640 5.029 -0.389 1
1 1084 . 12 1 1 A 86 86 LYS C C 86 174.388 176.976 -2.588 1
1 1085 . 12 1 1 A 86 86 LYS CA C 86 53.301 54.112 -0.811 1
1 1086 . 12 1 1 A 86 86 LYS CB C 86 32.587 34.579 -1.992 1
1 1090 . 12 1 1 A 86 86 LYS N N 86 126.582 122.745 3.837 1
1 1091 . 12 1 1 A 87 87 LYS H H 87 8.485 8.344 0.141 1
1 1092 . 12 1 1 A 87 87 LYS HA H 87 3.923 4.242 -0.319 1
1 1101 . 12 1 1 A 87 87 LYS C C 87 174.196 176.687 -2.491 1
1 1102 . 12 1 1 A 87 87 LYS CA C 87 55.171 56.407 -1.236 1
1 1103 . 12 1 1 A 87 87 LYS CB C 87 31.274 31.461 -0.187 1
1 1107 . 12 1 1 A 87 87 LYS N N 87 119.203 122.156 -2.953 1
1 1108 . 12 1 1 A 89 89 GLY HA2 H 89 4.034 4.121 -0.087 1
1 1109 . 12 1 1 A 89 89 GLY HA3 H 89 4.034 4.122 -0.088 1
1 1110 . 12 1 1 A 89 89 GLY CA C 89 42.366 44.168 -1.802 1
1 1111 . 12 1 1 A 90 90 PRO HA H 90 4.369 4.376 -0.007 1
1 1118 . 12 1 1 A 90 90 PRO CA C 90 61.070 64.814 -3.744 1
1 1119 . 12 1 1 A 90 90 PRO CB C 90 29.818 31.938 -2.120 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.759 4.123 -0.364 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.759 4.184 -0.425 1
1 3 . 13 1 1 A 7 7 GLY C C 7 171.455 173.827 -2.372 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 42.980 44.368 -1.388 1
1 5 . 13 1 1 A 8 8 TYR H H 8 7.813 7.886 -0.073 1
1 6 . 13 1 1 A 8 8 TYR HA H 8 4.391 4.589 -0.198 1
1 13 . 13 1 1 A 8 8 TYR C C 8 173.043 175.794 -2.751 1
1 14 . 13 1 1 A 8 8 TYR CA C 8 55.501 57.893 -2.392 1
1 15 . 13 1 1 A 8 8 TYR CB C 8 36.317 38.730 -2.413 1
1 20 . 13 1 1 A 8 8 TYR N N 8 119.411 118.088 1.323 1
1 21 . 13 1 1 A 9 9 LEU H H 9 7.861 7.421 0.440 1
1 22 . 13 1 1 A 9 9 LEU HA H 9 4.118 4.252 -0.134 1
1 32 . 13 1 1 A 9 9 LEU C C 9 173.714 176.255 -2.541 1
1 33 . 13 1 1 A 9 9 LEU CA C 9 52.544 55.743 -3.199 1
1 34 . 13 1 1 A 9 9 LEU CB C 9 40.106 41.428 -1.322 1
1 38 . 13 1 1 A 9 9 LEU N N 9 123.594 124.465 -0.871 1
1 39 . 13 1 1 A 10 10 LYS H H 10 7.976 8.652 -0.676 1
1 40 . 13 1 1 A 10 10 LYS HA H 10 4.108 4.538 -0.430 1
1 49 . 13 1 1 A 10 10 LYS C C 10 172.845 175.466 -2.621 1
1 50 . 13 1 1 A 10 10 LYS CA C 10 54.150 55.519 -1.369 1
1 51 . 13 1 1 A 10 10 LYS CB C 10 30.736 33.457 -2.721 1
1 55 . 13 1 1 A 10 10 LYS N N 10 122.047 126.303 -4.256 1
1 56 . 13 1 1 A 11 11 LEU H H 11 8.102 8.500 -0.398 1
1 57 . 13 1 1 A 11 11 LEU HA H 11 4.711 5.294 -0.583 1
1 67 . 13 1 1 A 11 11 LEU C C 11 173.849 176.134 -2.285 1
1 68 . 13 1 1 A 11 11 LEU CA C 11 51.523 53.685 -2.162 1
1 69 . 13 1 1 A 11 11 LEU CB C 11 41.767 45.721 -3.954 1
1 73 . 13 1 1 A 11 11 LEU N N 11 123.872 124.498 -0.626 1
1 74 . 13 1 1 A 12 12 VAL H H 12 8.956 8.648 0.308 1
1 75 . 13 1 1 A 12 12 VAL HA H 12 4.044 4.898 -0.854 1
1 83 . 13 1 1 A 12 12 VAL C C 12 171.356 173.987 -2.631 1
1 84 . 13 1 1 A 12 12 VAL CA C 12 59.549 59.109 0.440 1
1 85 . 13 1 1 A 12 12 VAL CB C 12 31.500 35.219 -3.719 1
1 88 . 13 1 1 A 12 12 VAL N N 12 122.036 118.023 4.013 1
1 89 . 13 1 1 A 13 13 ARG H H 13 9.211 8.768 0.443 1
1 90 . 13 1 1 A 13 13 ARG HA H 13 4.434 4.747 -0.313 1
1 98 . 13 1 1 A 13 13 ARG C C 13 171.964 175.064 -3.100 1
1 99 . 13 1 1 A 13 13 ARG CA C 13 52.791 55.516 -2.725 1
1 100 . 13 1 1 A 13 13 ARG CB C 13 29.067 30.811 -1.744 1
1 103 . 13 1 1 A 13 13 ARG N N 13 125.178 122.948 2.230 1
1 105 . 13 1 1 A 14 14 ILE H H 14 8.811 8.847 -0.036 1
1 106 . 13 1 1 A 14 14 ILE HA H 14 4.592 4.557 0.035 1
1 116 . 13 1 1 A 14 14 ILE C C 14 173.197 175.145 -1.948 1
1 117 . 13 1 1 A 14 14 ILE CA C 14 55.308 60.241 -4.933 1
1 118 . 13 1 1 A 14 14 ILE CB C 14 36.411 38.462 -2.051 1
1 122 . 13 1 1 A 14 14 ILE N N 14 122.061 125.456 -3.395 1
1 123 . 13 1 1 A 15 15 TYR H H 15 8.781 8.655 0.126 1
1 124 . 13 1 1 A 15 15 TYR HA H 15 5.103 4.660 0.443 1
1 131 . 13 1 1 A 15 15 TYR C C 15 172.764 175.430 -2.666 1
1 132 . 13 1 1 A 15 15 TYR CA C 15 53.740 58.658 -4.918 1
1 133 . 13 1 1 A 15 15 TYR CB C 15 37.340 37.992 -0.652 1
1 138 . 13 1 1 A 15 15 TYR N N 15 125.241 128.979 -3.738 1
1 139 . 13 1 1 A 16 16 THR H H 16 8.961 8.933 0.028 1
1 140 . 13 1 1 A 16 16 THR HA H 16 4.806 4.761 0.045 1
1 145 . 13 1 1 A 16 16 THR C C 16 171.478 173.261 -1.783 1
1 146 . 13 1 1 A 16 16 THR CA C 16 59.180 61.752 -2.572 1
1 147 . 13 1 1 A 16 16 THR CB C 16 68.174 69.561 -1.387 1
1 149 . 13 1 1 A 16 16 THR N N 16 116.007 120.497 -4.490 1
1 150 . 13 1 1 A 17 17 LYS H H 17 8.397 9.002 -0.605 1
1 151 . 13 1 1 A 17 17 LYS HA H 17 4.446 4.921 -0.475 1
1 160 . 13 1 1 A 17 17 LYS C C 17 170.870 175.082 -4.212 1
1 161 . 13 1 1 A 17 17 LYS CA C 17 50.238 52.643 -2.405 1
1 162 . 13 1 1 A 17 17 LYS CB C 17 32.677 33.843 -1.166 1
1 166 . 13 1 1 A 17 17 LYS N N 17 125.122 129.989 -4.867 1
1 167 . 13 1 1 A 18 18 PRO HA H 18 4.474 4.747 -0.273 1
1 174 . 13 1 1 A 18 18 PRO C C 18 174.170 176.133 -1.963 1
1 175 . 13 1 1 A 18 18 PRO CA C 18 59.250 62.354 -3.104 1
1 176 . 13 1 1 A 18 18 PRO CB C 18 29.517 33.283 -3.766 1
1 179 . 13 1 1 A 19 19 LYS H H 19 8.467 8.322 0.145 1
1 180 . 13 1 1 A 19 19 LYS HA H 19 3.887 4.404 -0.517 1
1 187 . 13 1 1 A 19 19 LYS C C 19 175.944 176.258 -0.314 1
1 188 . 13 1 1 A 19 19 LYS CA C 19 55.732 56.090 -0.358 1
1 189 . 13 1 1 A 19 19 LYS CB C 19 29.818 32.100 -2.282 1
1 193 . 13 1 1 A 19 19 LYS N N 19 121.921 119.890 2.031 1
1 194 . 13 1 1 A 20 20 GLY HA2 H 20 3.958 4.045 -0.087 1
1 195 . 13 1 1 A 20 20 GLY HA3 H 20 3.676 4.045 -0.369 1
1 196 . 13 1 1 A 20 20 GLY C C 20 171.329 174.146 -2.817 1
1 197 . 13 1 1 A 20 20 GLY CA C 20 43.304 46.092 -2.788 1
1 198 . 13 1 1 A 21 21 GLN H H 21 7.553 7.994 -0.441 1
1 199 . 13 1 1 A 21 21 GLN HA H 21 4.581 4.390 0.191 1
1 206 . 13 1 1 A 21 21 GLN C C 21 172.091 175.326 -3.235 1
1 207 . 13 1 1 A 21 21 GLN CA C 21 51.330 56.055 -4.725 1
1 208 . 13 1 1 A 21 21 GLN CB C 21 29.767 30.146 -0.379 1
1 210 . 13 1 1 A 21 21 GLN N N 21 117.269 120.372 -3.103 1
1 212 . 13 1 1 A 22 22 LEU H H 22 8.048 8.278 -0.230 1
1 213 . 13 1 1 A 22 22 LEU HA H 22 4.292 4.823 -0.531 1
1 223 . 13 1 1 A 22 22 LEU C C 22 171.986 175.138 -3.152 1
1 224 . 13 1 1 A 22 22 LEU CA C 22 50.950 52.645 -1.695 1
1 225 . 13 1 1 A 22 22 LEU CB C 22 38.362 42.543 -4.181 1
1 229 . 13 1 1 A 22 22 LEU N N 22 119.689 120.256 -0.567 1
1 230 . 13 1 1 A 23 23 PRO HA H 23 4.196 4.747 -0.551 1
1 237 . 13 1 1 A 23 23 PRO C C 23 172.331 176.464 -4.133 1
1 238 . 13 1 1 A 23 23 PRO CA C 23 59.882 62.533 -2.651 1
1 239 . 13 1 1 A 23 23 PRO CB C 23 28.948 31.499 -2.551 1
1 242 . 13 1 1 A 24 24 ASP H H 24 8.191 8.329 -0.138 1
1 243 . 13 1 1 A 24 24 ASP HA H 24 4.649 4.577 0.072 1
1 246 . 13 1 1 A 24 24 ASP C C 24 175.312 175.865 -0.553 1
1 247 . 13 1 1 A 24 24 ASP CA C 24 49.710 54.755 -5.045 1
1 248 . 13 1 1 A 24 24 ASP CB C 24 37.229 41.154 -3.925 1
1 249 . 13 1 1 A 24 24 ASP N N 24 118.307 122.136 -3.829 1
1 250 . 13 1 1 A 25 25 TYR H H 25 8.171 8.893 -0.722 1
1 251 . 13 1 1 A 25 25 TYR HA H 25 4.173 4.537 -0.364 1
1 258 . 13 1 1 A 25 25 TYR C C 25 173.720 175.853 -2.133 1
1 259 . 13 1 1 A 25 25 TYR CA C 25 57.297 57.859 -0.562 1
1 260 . 13 1 1 A 25 25 TYR CB C 25 34.897 38.699 -3.802 1
1 265 . 13 1 1 A 25 25 TYR N N 25 123.576 122.427 1.149 1
1 266 . 13 1 1 A 26 26 THR H H 26 8.278 8.229 0.049 1
1 267 . 13 1 1 A 26 26 THR HA H 26 4.343 4.709 -0.366 1
1 272 . 13 1 1 A 26 26 THR C C 26 173.145 174.678 -1.533 1
1 273 . 13 1 1 A 26 26 THR CA C 26 60.799 62.667 -1.868 1
1 274 . 13 1 1 A 26 26 THR CB C 26 67.379 71.374 -3.995 1
1 276 . 13 1 1 A 26 26 THR N N 26 109.145 115.168 -6.023 1
1 277 . 13 1 1 A 27 27 SER H H 27 7.085 8.012 -0.927 1
1 278 . 13 1 1 A 27 27 SER HA H 27 5.002 4.910 0.092 1
1 281 . 13 1 1 A 27 27 SER C C 27 169.729 172.405 -2.676 1
1 282 . 13 1 1 A 27 27 SER CA C 27 52.526 56.106 -3.580 1
1 283 . 13 1 1 A 27 27 SER CB C 27 61.215 63.917 -2.702 1
1 284 . 13 1 1 A 27 27 SER N N 27 114.134 116.367 -2.233 1
1 285 . 13 1 1 A 28 28 PRO HA H 28 4.553 4.663 -0.110 1
1 292 . 13 1 1 A 28 28 PRO C C 28 174.448 175.783 -1.335 1
1 293 . 13 1 1 A 28 28 PRO CA C 28 60.482 62.418 -1.936 1
1 294 . 13 1 1 A 28 28 PRO CB C 28 29.224 32.979 -3.755 1
1 297 . 13 1 1 A 29 29 VAL H H 29 9.191 7.936 1.255 1
1 298 . 13 1 1 A 29 29 VAL HA H 29 3.946 4.343 -0.397 1
1 306 . 13 1 1 A 29 29 VAL C C 29 172.641 174.218 -1.577 1
1 307 . 13 1 1 A 29 29 VAL CA C 29 60.367 60.912 -0.545 1
1 308 . 13 1 1 A 29 29 VAL CB C 29 30.546 33.166 -2.620 1
1 311 . 13 1 1 A 29 29 VAL N N 29 123.735 121.278 2.457 1
1 312 . 13 1 1 A 30 30 VAL H H 30 8.169 9.102 -0.933 1
1 313 . 13 1 1 A 30 30 VAL HA H 30 4.940 4.595 0.345 1
1 321 . 13 1 1 A 30 30 VAL C C 30 173.560 175.158 -1.598 1
1 322 . 13 1 1 A 30 30 VAL CA C 30 58.568 62.007 -3.439 1
1 323 . 13 1 1 A 30 30 VAL CB C 30 30.303 31.146 -0.843 1
1 326 . 13 1 1 A 30 30 VAL N N 30 125.255 130.769 -5.514 1
1 327 . 13 1 1 A 31 31 LEU H H 31 8.889 8.378 0.511 1
1 328 . 13 1 1 A 31 31 LEU HA H 31 4.816 4.744 0.072 1
1 338 . 13 1 1 A 31 31 LEU C C 31 171.113 174.808 -3.695 1
1 339 . 13 1 1 A 31 31 LEU CA C 31 48.760 52.421 -3.661 1
1 340 . 13 1 1 A 31 31 LEU CB C 31 40.938 41.636 -0.698 1
1 344 . 13 1 1 A 31 31 LEU N N 31 127.017 128.738 -1.721 1
1 345 . 13 1 1 A 32 32 PRO HA H 32 4.531 4.701 -0.170 1
1 352 . 13 1 1 A 32 32 PRO C C 32 174.294 177.567 -3.273 1
1 353 . 13 1 1 A 32 32 PRO CA C 32 59.648 62.794 -3.146 1
1 354 . 13 1 1 A 32 32 PRO CB C 32 29.349 31.733 -2.384 1
1 357 . 13 1 1 A 33 33 TYR H H 33 8.105 8.931 -0.826 1
1 358 . 13 1 1 A 33 33 TYR HA H 33 3.788 3.989 -0.201 1
1 365 . 13 1 1 A 33 33 TYR C C 33 173.470 177.264 -3.794 1
1 366 . 13 1 1 A 33 33 TYR CA C 33 58.159 62.342 -4.183 1
1 367 . 13 1 1 A 33 33 TYR CB C 33 36.244 39.143 -2.899 1
1 372 . 13 1 1 A 33 33 TYR N N 33 120.060 126.606 -6.546 1
1 373 . 13 1 1 A 34 34 SER H H 34 7.868 8.434 -0.566 1
1 374 . 13 1 1 A 34 34 SER HA H 34 3.814 4.303 -0.489 1
1 377 . 13 1 1 A 34 34 SER C C 34 171.946 174.855 -2.909 1
1 378 . 13 1 1 A 34 34 SER CA C 34 58.212 61.504 -3.292 1
1 379 . 13 1 1 A 34 34 SER CB C 34 60.928 62.900 -1.972 1
1 380 . 13 1 1 A 34 34 SER N N 34 116.733 113.907 2.826 1
1 381 . 13 1 1 A 35 35 ARG H H 35 7.883 8.066 -0.183 1
1 382 . 13 1 1 A 35 35 ARG HA H 35 4.575 4.604 -0.029 1
1 389 . 13 1 1 A 35 35 ARG C C 35 172.091 174.622 -2.531 1
1 390 . 13 1 1 A 35 35 ARG CA C 35 52.067 54.840 -2.773 1
1 391 . 13 1 1 A 35 35 ARG CB C 35 28.228 31.305 -3.077 1
1 394 . 13 1 1 A 35 35 ARG N N 35 125.492 119.341 6.151 1
1 395 . 13 1 1 A 36 36 THR H H 36 7.874 8.557 -0.683 1
1 396 . 13 1 1 A 36 36 THR HA H 36 4.613 5.301 -0.688 1
1 401 . 13 1 1 A 36 36 THR C C 36 173.095 173.335 -0.240 1
1 402 . 13 1 1 A 36 36 THR CA C 36 57.029 60.573 -3.544 1
1 403 . 13 1 1 A 36 36 THR CB C 36 66.113 70.849 -4.736 1
1 405 . 13 1 1 A 36 36 THR N N 36 107.510 114.248 -6.738 1
1 406 . 13 1 1 A 37 37 THR H H 37 8.804 8.458 0.346 1
1 407 . 13 1 1 A 37 37 THR HA H 37 5.288 4.616 0.672 1
1 412 . 13 1 1 A 37 37 THR C C 37 174.234 174.396 -0.162 1
1 413 . 13 1 1 A 37 37 THR CA C 37 59.681 60.816 -1.135 1
1 414 . 13 1 1 A 37 37 THR CB C 37 70.032 70.945 -0.913 1
1 416 . 13 1 1 A 37 37 THR N N 37 112.714 117.115 -4.401 1
1 417 . 13 1 1 A 38 38 VAL H H 38 8.269 8.911 -0.642 1
1 418 . 13 1 1 A 38 38 VAL HA H 38 3.485 3.664 -0.179 1
1 426 . 13 1 1 A 38 38 VAL C C 38 175.909 177.375 -1.466 1
1 427 . 13 1 1 A 38 38 VAL CA C 38 64.496 66.859 -2.363 1
1 428 . 13 1 1 A 38 38 VAL CB C 38 29.015 31.536 -2.521 1
1 431 . 13 1 1 A 38 38 VAL N N 38 121.372 122.643 -1.271 1
1 432 . 13 1 1 A 39 39 GLU H H 39 8.597 8.309 0.288 1
1 433 . 13 1 1 A 39 39 GLU HA H 39 3.495 3.838 -0.343 1
1 438 . 13 1 1 A 39 39 GLU C C 39 174.769 178.692 -3.923 1
1 439 . 13 1 1 A 39 39 GLU CA C 39 58.418 59.098 -0.680 1
1 440 . 13 1 1 A 39 39 GLU CB C 39 27.358 29.221 -1.863 1
1 442 . 13 1 1 A 39 39 GLU N N 39 121.954 119.181 2.773 1
1 443 . 13 1 1 A 40 40 ASP H H 40 7.493 8.235 -0.742 1
1 444 . 13 1 1 A 40 40 ASP HA H 40 4.071 4.186 -0.115 1
1 447 . 13 1 1 A 40 40 ASP C C 40 176.738 179.001 -2.263 1
1 448 . 13 1 1 A 40 40 ASP CA C 40 55.877 57.371 -1.494 1
1 449 . 13 1 1 A 40 40 ASP CB C 40 38.721 40.425 -1.704 1
1 450 . 13 1 1 A 40 40 ASP N N 40 119.054 120.296 -1.242 1
1 451 . 13 1 1 A 41 41 PHE H H 41 8.429 8.175 0.254 1
1 452 . 13 1 1 A 41 41 PHE HA H 41 3.750 4.112 -0.362 1
1 460 . 13 1 1 A 41 41 PHE C C 41 173.786 177.177 -3.391 1
1 461 . 13 1 1 A 41 41 PHE CA C 41 59.851 60.772 -0.921 1
1 462 . 13 1 1 A 41 41 PHE CB C 41 36.135 39.054 -2.919 1
1 468 . 13 1 1 A 41 41 PHE N N 41 121.017 122.160 -1.143 1
1 469 . 13 1 1 A 42 42 CYS H H 42 8.527 8.165 0.362 1
1 470 . 13 1 1 A 42 42 CYS HA H 42 3.752 4.295 -0.543 1
1 473 . 13 1 1 A 42 42 CYS C C 42 174.065 177.565 -3.500 1
1 474 . 13 1 1 A 42 42 CYS CA C 42 62.453 62.464 -0.011 1
1 475 . 13 1 1 A 42 42 CYS CB C 42 24.429 26.947 -2.518 1
1 476 . 13 1 1 A 42 42 CYS N N 42 116.390 117.274 -0.884 1
1 477 . 13 1 1 A 43 43 MET H H 43 7.739 7.985 -0.246 1
1 478 . 13 1 1 A 43 43 MET HA H 43 3.885 4.138 -0.253 1
1 486 . 13 1 1 A 43 43 MET C C 43 175.345 178.645 -3.300 1
1 487 . 13 1 1 A 43 43 MET CA C 43 54.460 58.364 -3.904 1
1 488 . 13 1 1 A 43 43 MET CB C 43 28.872 32.791 -3.919 1
1 491 . 13 1 1 A 43 43 MET N N 43 114.377 119.593 -5.216 1
1 492 . 13 1 1 A 44 44 LYS H H 44 7.257 7.872 -0.615 1
1 493 . 13 1 1 A 44 44 LYS HA H 44 3.896 3.937 -0.041 1
1 502 . 13 1 1 A 44 44 LYS C C 44 175.198 178.440 -3.242 1
1 503 . 13 1 1 A 44 44 LYS CA C 44 54.181 58.691 -4.510 1
1 504 . 13 1 1 A 44 44 LYS CB C 44 29.291 32.280 -2.989 1
1 508 . 13 1 1 A 44 44 LYS N N 44 117.480 118.414 -0.934 1
1 509 . 13 1 1 A 45 45 ILE H H 45 7.146 6.824 0.322 1
1 510 . 13 1 1 A 45 45 ILE HA H 45 3.697 3.974 -0.277 1
1 520 . 13 1 1 A 45 45 ILE C C 45 174.894 176.010 -1.116 1
1 521 . 13 1 1 A 45 45 ILE CA C 45 59.954 63.218 -3.264 1
1 522 . 13 1 1 A 45 45 ILE CB C 45 33.943 38.532 -4.589 1
1 526 . 13 1 1 A 45 45 ILE N N 45 119.267 116.894 2.373 1
1 527 . 13 1 1 A 46 46 HIS H H 46 7.982 7.958 0.024 1
1 528 . 13 1 1 A 46 46 HIS HA H 46 4.200 4.831 -0.631 1
1 533 . 13 1 1 A 46 46 HIS C C 46 173.349 175.788 -2.439 1
1 534 . 13 1 1 A 46 46 HIS CA C 46 56.363 55.211 1.152 1
1 535 . 13 1 1 A 46 46 HIS CB C 46 30.998 32.979 -1.981 1
1 538 . 13 1 1 A 46 46 HIS N N 46 116.498 117.944 -1.446 1
1 539 . 13 1 1 A 47 47 LYS H H 47 8.478 8.399 0.079 1
1 540 . 13 1 1 A 47 47 LYS HA H 47 4.091 3.905 0.186 1
1 545 . 13 1 1 A 47 47 LYS C C 47 174.519 176.511 -1.992 1
1 546 . 13 1 1 A 47 47 LYS CA C 47 57.279 58.010 -0.731 1
1 547 . 13 1 1 A 47 47 LYS CB C 47 29.709 31.650 -1.941 1
1 551 . 13 1 1 A 47 47 LYS N N 47 127.686 122.481 5.205 1
1 552 . 13 1 1 A 48 48 ASN H H 48 10.623 7.311 3.312 1
1 553 . 13 1 1 A 48 48 ASN HA H 48 4.839 5.075 -0.236 1
1 558 . 13 1 1 A 48 48 ASN C C 48 175.138 176.210 -1.072 1
1 559 . 13 1 1 A 48 48 ASN CA C 48 50.960 52.667 -1.707 1
1 560 . 13 1 1 A 48 48 ASN CB C 48 36.975 39.761 -2.786 1
1 561 . 13 1 1 A 48 48 ASN N N 48 118.711 117.660 1.051 1
1 563 . 13 1 1 A 49 49 LEU H H 49 7.796 7.577 0.219 1
1 564 . 13 1 1 A 49 49 LEU HA H 49 4.103 4.234 -0.131 1
1 574 . 13 1 1 A 49 49 LEU C C 49 176.976 178.170 -1.194 1
1 575 . 13 1 1 A 49 49 LEU CA C 49 56.381 57.704 -1.323 1
1 576 . 13 1 1 A 49 49 LEU CB C 49 39.064 42.157 -3.093 1
1 580 . 13 1 1 A 49 49 LEU N N 49 124.676 121.430 3.246 1
1 581 . 13 1 1 A 50 50 ILE H H 50 9.052 7.986 1.066 1
1 582 . 13 1 1 A 50 50 ILE HA H 50 4.060 3.819 0.241 1
1 592 . 13 1 1 A 50 50 ILE C C 50 173.983 177.850 -3.867 1
1 593 . 13 1 1 A 50 50 ILE CA C 50 57.842 63.467 -5.625 1
1 594 . 13 1 1 A 50 50 ILE CB C 50 35.943 37.687 -1.744 1
1 598 . 13 1 1 A 50 50 ILE N N 50 116.565 119.395 -2.830 1
1 599 . 13 1 1 A 51 51 LYS H H 51 7.275 8.092 -0.817 1
1 600 . 13 1 1 A 51 51 LYS HA H 51 4.143 4.052 0.091 1
1 609 . 13 1 1 A 51 51 LYS C C 51 175.668 178.298 -2.630 1
1 610 . 13 1 1 A 51 51 LYS CA C 51 55.696 60.002 -4.306 1
1 611 . 13 1 1 A 51 51 LYS CB C 51 29.767 32.211 -2.444 1
1 615 . 13 1 1 A 51 51 LYS N N 51 119.864 122.405 -2.541 1
1 616 . 13 1 1 A 52 52 GLU H H 52 7.590 7.672 -0.082 1
1 617 . 13 1 1 A 52 52 GLU HA H 52 4.319 4.454 -0.135 1
1 622 . 13 1 1 A 52 52 GLU C C 52 173.088 176.618 -3.530 1
1 623 . 13 1 1 A 52 52 GLU CA C 52 53.301 56.744 -3.443 1
1 624 . 13 1 1 A 52 52 GLU CB C 52 28.778 30.338 -1.560 1
1 626 . 13 1 1 A 52 52 GLU N N 52 116.453 116.456 -0.003 1
1 627 . 13 1 1 A 53 53 PHE H H 53 7.423 8.046 -0.623 1
1 628 . 13 1 1 A 53 53 PHE HA H 53 3.608 4.496 -0.888 1
1 636 . 13 1 1 A 53 53 PHE C C 53 170.946 175.381 -4.435 1
1 637 . 13 1 1 A 53 53 PHE CA C 53 57.983 59.188 -1.205 1
1 638 . 13 1 1 A 53 53 PHE CB C 53 38.913 39.972 -1.059 1
1 644 . 13 1 1 A 53 53 PHE N N 53 120.950 123.339 -2.389 1
1 645 . 13 1 1 A 54 54 LYS H H 54 8.385 8.702 -0.317 1
1 646 . 13 1 1 A 54 54 LYS HA H 54 4.268 4.299 -0.031 1
1 655 . 13 1 1 A 54 54 LYS C C 54 173.038 175.316 -2.278 1
1 656 . 13 1 1 A 54 54 LYS CA C 54 55.263 57.177 -1.914 1
1 657 . 13 1 1 A 54 54 LYS CB C 54 32.730 34.047 -1.317 1
1 661 . 13 1 1 A 54 54 LYS N N 54 128.686 127.183 1.503 1
1 662 . 13 1 1 A 55 55 TYR H H 55 7.083 7.053 0.030 1
1 663 . 13 1 1 A 55 55 TYR HA H 55 4.120 4.608 -0.488 1
1 670 . 13 1 1 A 55 55 TYR C C 55 168.503 172.868 -4.365 1
1 671 . 13 1 1 A 55 55 TYR CA C 55 55.198 56.032 -0.834 1
1 672 . 13 1 1 A 55 55 TYR CB C 55 35.633 39.775 -4.142 1
1 677 . 13 1 1 A 55 55 TYR N N 55 110.963 112.881 -1.918 1
1 678 . 13 1 1 A 56 56 ALA H H 56 8.836 8.835 0.001 1
1 679 . 13 1 1 A 56 56 ALA HA H 56 5.293 5.324 -0.031 1
1 683 . 13 1 1 A 56 56 ALA C C 56 172.993 175.743 -2.750 1
1 684 . 13 1 1 A 56 56 ALA CA C 56 47.088 50.332 -3.244 1
1 685 . 13 1 1 A 56 56 ALA CB C 56 20.287 22.240 -1.953 1
1 686 . 13 1 1 A 56 56 ALA N N 56 118.379 122.277 -3.898 1
1 687 . 13 1 1 A 57 57 LEU H H 57 8.880 8.556 0.324 1
1 688 . 13 1 1 A 57 57 LEU HA H 57 4.854 5.068 -0.214 1
1 698 . 13 1 1 A 57 57 LEU C C 57 172.904 175.404 -2.500 1
1 699 . 13 1 1 A 57 57 LEU CA C 57 50.872 53.240 -2.368 1
1 700 . 13 1 1 A 57 57 LEU CB C 57 42.160 42.234 -0.074 1
1 704 . 13 1 1 A 57 57 LEU N N 57 121.382 123.224 -1.842 1
1 705 . 13 1 1 A 58 58 VAL H H 58 8.123 8.581 -0.458 1
1 706 . 13 1 1 A 58 58 VAL HA H 58 5.243 4.891 0.352 1
1 714 . 13 1 1 A 58 58 VAL C C 58 171.929 175.118 -3.189 1
1 715 . 13 1 1 A 58 58 VAL CA C 58 57.683 61.088 -3.405 1
1 716 . 13 1 1 A 58 58 VAL CB C 58 33.036 33.219 -0.183 1
1 719 . 13 1 1 A 58 58 VAL N N 58 120.400 125.099 -4.699 1
1 720 . 13 1 1 A 59 59 TRP H H 59 9.316 8.580 0.736 1
1 721 . 13 1 1 A 59 59 TRP HA H 59 4.843 5.559 -0.716 1
1 730 . 13 1 1 A 59 59 TRP C C 59 173.582 176.579 -2.997 1
1 731 . 13 1 1 A 59 59 TRP CA C 59 54.736 55.191 -0.455 1
1 732 . 13 1 1 A 59 59 TRP CB C 59 30.514 30.759 -0.245 1
1 738 . 13 1 1 A 59 59 TRP N N 59 127.196 127.011 0.185 1
1 740 . 13 1 1 A 60 60 GLY H H 60 8.531 8.291 0.240 1
1 741 . 13 1 1 A 60 60 GLY HA2 H 60 4.934 4.289 0.645 1
1 742 . 13 1 1 A 60 60 GLY HA3 H 60 4.123 4.293 -0.170 1
1 743 . 13 1 1 A 60 60 GLY C C 60 171.378 173.898 -2.520 1
1 744 . 13 1 1 A 60 60 GLY CA C 60 42.587 46.092 -3.505 1
1 745 . 13 1 1 A 60 60 GLY N N 60 110.481 110.484 -0.003 1
1 746 . 13 1 1 A 61 61 LEU H H 61 8.188 8.807 -0.619 1
1 747 . 13 1 1 A 61 61 LEU HA H 61 4.141 4.143 -0.002 1
1 757 . 13 1 1 A 61 61 LEU C C 61 176.897 178.953 -2.056 1
1 758 . 13 1 1 A 61 61 LEU CA C 61 54.357 57.143 -2.786 1
1 759 . 13 1 1 A 61 61 LEU CB C 61 39.942 41.969 -2.027 1
1 763 . 13 1 1 A 61 61 LEU N N 61 118.667 122.062 -3.395 1
1 764 . 13 1 1 A 62 62 SER H H 62 8.123 8.080 0.043 1
1 765 . 13 1 1 A 62 62 SER HA H 62 4.284 4.285 -0.001 1
1 768 . 13 1 1 A 62 62 SER C C 62 171.932 173.785 -1.853 1
1 769 . 13 1 1 A 62 62 SER CA C 62 57.279 61.025 -3.746 1
1 770 . 13 1 1 A 62 62 SER CB C 62 60.354 63.194 -2.840 1
1 771 . 13 1 1 A 62 62 SER N N 62 110.946 113.744 -2.798 1
1 772 . 13 1 1 A 63 63 VAL H H 63 7.174 7.666 -0.492 1
1 773 . 13 1 1 A 63 63 VAL HA H 63 4.503 4.572 -0.069 1
1 781 . 13 1 1 A 63 63 VAL C C 63 173.221 175.075 -1.854 1
1 782 . 13 1 1 A 63 63 VAL CA C 63 57.573 59.034 -1.461 1
1 783 . 13 1 1 A 63 63 VAL CB C 63 31.826 35.013 -3.187 1
1 786 . 13 1 1 A 63 63 VAL N N 63 114.625 115.452 -0.827 1
1 787 . 13 1 1 A 64 64 LYS H H 64 8.112 8.730 -0.618 1
1 788 . 13 1 1 A 64 64 LYS HA H 64 4.105 4.411 -0.306 1
1 796 . 13 1 1 A 64 64 LYS C C 64 174.259 176.485 -2.226 1
1 797 . 13 1 1 A 64 64 LYS CA C 64 54.586 57.388 -2.802 1
1 798 . 13 1 1 A 64 64 LYS CB C 64 30.837 32.996 -2.159 1
1 802 . 13 1 1 A 64 64 LYS N N 64 119.722 120.020 -0.298 1
1 803 . 13 1 1 A 65 65 HIS H H 65 7.496 7.814 -0.318 1
1 804 . 13 1 1 A 65 65 HIS HA H 65 4.497 5.209 -0.712 1
1 809 . 13 1 1 A 65 65 HIS C C 65 170.028 174.236 -4.208 1
1 810 . 13 1 1 A 65 65 HIS CA C 65 52.491 54.771 -2.280 1
1 811 . 13 1 1 A 65 65 HIS CB C 65 29.149 32.051 -2.902 1
1 814 . 13 1 1 A 65 65 HIS N N 65 117.336 116.164 1.172 1
1 815 . 13 1 1 A 66 66 ASN H H 66 8.135 9.006 -0.871 1
1 816 . 13 1 1 A 66 66 ASN HA H 66 4.986 5.058 -0.072 1
1 821 . 13 1 1 A 66 66 ASN C C 66 171.088 173.164 -2.076 1
1 822 . 13 1 1 A 66 66 ASN CA C 66 47.732 49.846 -2.114 1
1 823 . 13 1 1 A 66 66 ASN CB C 66 39.365 40.349 -0.984 1
1 824 . 13 1 1 A 66 66 ASN N N 66 118.616 122.032 -3.416 1
1 826 . 13 1 1 A 67 67 PRO HA H 67 4.408 4.319 0.089 1
1 833 . 13 1 1 A 67 67 PRO C C 67 173.325 175.968 -2.643 1
1 834 . 13 1 1 A 67 67 PRO CA C 67 60.535 62.819 -2.284 1
1 835 . 13 1 1 A 67 67 PRO CB C 67 31.065 32.061 -0.996 1
1 838 . 13 1 1 A 68 68 GLN H H 68 8.323 7.724 0.599 1
1 839 . 13 1 1 A 68 68 GLN HA H 68 4.295 4.672 -0.377 1
1 846 . 13 1 1 A 68 68 GLN C C 68 172.005 173.803 -1.798 1
1 847 . 13 1 1 A 68 68 GLN CA C 68 51.805 55.044 -3.239 1
1 848 . 13 1 1 A 68 68 GLN CB C 68 30.014 30.434 -0.420 1
1 850 . 13 1 1 A 68 68 GLN N N 68 118.089 121.446 -3.357 1
1 852 . 13 1 1 A 69 69 LYS H H 69 8.268 8.450 -0.182 1
1 853 . 13 1 1 A 69 69 LYS HA H 69 4.907 4.791 0.116 1
1 862 . 13 1 1 A 69 69 LYS C C 69 174.226 175.333 -1.107 1
1 863 . 13 1 1 A 69 69 LYS CA C 69 53.598 54.767 -1.169 1
1 864 . 13 1 1 A 69 69 LYS CB C 69 30.096 33.951 -3.855 1
1 868 . 13 1 1 A 69 69 LYS N N 69 125.766 124.548 1.218 1
1 869 . 13 1 1 A 70 70 VAL H H 70 9.409 8.997 0.412 1
1 870 . 13 1 1 A 70 70 VAL HA H 70 4.723 4.945 -0.222 1
1 878 . 13 1 1 A 70 70 VAL C C 70 172.498 175.869 -3.371 1
1 879 . 13 1 1 A 70 70 VAL CA C 70 56.680 59.852 -3.172 1
1 880 . 13 1 1 A 70 70 VAL CB C 70 33.332 34.389 -1.057 1
1 883 . 13 1 1 A 70 70 VAL N N 70 120.660 121.059 -0.399 1
1 884 . 13 1 1 A 71 71 GLY H H 71 8.445 8.607 -0.162 1
1 885 . 13 1 1 A 71 71 GLY HA2 H 71 4.961 4.271 0.690 1
1 886 . 13 1 1 A 71 71 GLY HA3 H 71 3.898 4.359 -0.461 1
1 887 . 13 1 1 A 71 71 GLY C C 71 172.669 174.873 -2.204 1
1 888 . 13 1 1 A 71 71 GLY CA C 71 40.896 44.408 -3.512 1
1 889 . 13 1 1 A 71 71 GLY N N 71 106.755 109.744 -2.989 1
1 890 . 13 1 1 A 72 72 LYS H H 72 8.573 8.969 -0.396 1
1 891 . 13 1 1 A 72 72 LYS HA H 72 3.454 3.981 -0.527 1
1 900 . 13 1 1 A 72 72 LYS C C 72 172.853 176.593 -3.740 1
1 901 . 13 1 1 A 72 72 LYS CA C 72 56.108 58.366 -2.258 1
1 902 . 13 1 1 A 72 72 LYS CB C 72 29.993 32.247 -2.254 1
1 906 . 13 1 1 A 72 72 LYS N N 72 114.685 118.074 -3.389 1
1 907 . 13 1 1 A 73 73 ASP H H 73 8.517 8.282 0.235 1
1 908 . 13 1 1 A 73 73 ASP HA H 73 4.543 4.719 -0.176 1
1 911 . 13 1 1 A 73 73 ASP C C 73 173.041 175.887 -2.846 1
1 912 . 13 1 1 A 73 73 ASP CA C 73 51.118 53.206 -2.088 1
1 913 . 13 1 1 A 73 73 ASP CB C 73 38.311 40.069 -1.758 1
1 914 . 13 1 1 A 73 73 ASP N N 73 115.449 117.554 -2.105 1
1 915 . 13 1 1 A 74 74 HIS H H 74 7.173 7.814 -0.641 1
1 916 . 13 1 1 A 74 74 HIS HA H 74 4.084 4.853 -0.769 1
1 921 . 13 1 1 A 74 74 HIS C C 74 172.466 174.680 -2.214 1
1 922 . 13 1 1 A 74 74 HIS CA C 74 55.483 55.316 0.167 1
1 923 . 13 1 1 A 74 74 HIS CB C 74 29.868 30.847 -0.979 1
1 926 . 13 1 1 A 74 74 HIS N N 74 120.387 120.712 -0.325 1
1 927 . 13 1 1 A 75 75 THR H H 75 7.573 8.345 -0.772 1
1 928 . 13 1 1 A 75 75 THR HA H 75 3.562 4.246 -0.684 1
1 933 . 13 1 1 A 75 75 THR C C 75 170.555 174.448 -3.893 1
1 934 . 13 1 1 A 75 75 THR CA C 75 61.656 62.598 -0.942 1
1 935 . 13 1 1 A 75 75 THR CB C 75 66.449 69.049 -2.600 1
1 937 . 13 1 1 A 75 75 THR N N 75 123.519 120.930 2.589 1
1 938 . 13 1 1 A 76 76 LEU H H 76 8.300 8.609 -0.309 1
1 939 . 13 1 1 A 76 76 LEU HA H 76 4.187 4.362 -0.175 1
1 949 . 13 1 1 A 76 76 LEU C C 76 174.153 175.969 -1.816 1
1 950 . 13 1 1 A 76 76 LEU CA C 76 52.201 54.977 -2.776 1
1 951 . 13 1 1 A 76 76 LEU CB C 76 40.188 42.446 -2.258 1
1 955 . 13 1 1 A 76 76 LEU N N 76 127.705 127.444 0.261 1
1 956 . 13 1 1 A 77 77 GLU H H 77 9.006 9.004 0.002 1
1 957 . 13 1 1 A 77 77 GLU HA H 77 4.295 4.956 -0.661 1
1 962 . 13 1 1 A 77 77 GLU C C 77 172.035 175.725 -3.690 1
1 963 . 13 1 1 A 77 77 GLU CA C 77 51.734 54.515 -2.781 1
1 964 . 13 1 1 A 77 77 GLU CB C 77 30.671 33.123 -2.452 1
1 966 . 13 1 1 A 77 77 GLU N N 77 120.330 119.806 0.524 1
1 967 . 13 1 1 A 78 78 ASP H H 78 8.375 8.681 -0.306 1
1 968 . 13 1 1 A 78 78 ASP HA H 78 4.289 4.489 -0.200 1
1 971 . 13 1 1 A 78 78 ASP C C 78 174.522 175.952 -1.430 1
1 972 . 13 1 1 A 78 78 ASP CA C 78 54.779 54.519 0.260 1
1 973 . 13 1 1 A 78 78 ASP CB C 78 39.200 41.074 -1.874 1
1 974 . 13 1 1 A 78 78 ASP N N 78 116.751 122.173 -5.422 1
1 975 . 13 1 1 A 79 79 GLU H H 79 9.867 8.748 1.119 1
1 976 . 13 1 1 A 79 79 GLU HA H 79 3.685 3.857 -0.172 1
1 981 . 13 1 1 A 79 79 GLU C C 79 172.755 174.756 -2.001 1
1 982 . 13 1 1 A 79 79 GLU CA C 79 57.384 57.168 0.216 1
1 983 . 13 1 1 A 79 79 GLU CB C 79 24.429 28.049 -3.620 1
1 985 . 13 1 1 A 79 79 GLU N N 79 119.409 116.538 2.871 1
1 986 . 13 1 1 A 80 80 ASP H H 80 8.212 7.101 1.111 1
1 987 . 13 1 1 A 80 80 ASP HA H 80 4.833 5.425 -0.592 1
1 990 . 13 1 1 A 80 80 ASP C C 80 171.935 174.779 -2.844 1
1 991 . 13 1 1 A 80 80 ASP CA C 80 53.900 53.213 0.687 1
1 992 . 13 1 1 A 80 80 ASP CB C 80 39.633 44.602 -4.969 1
1 993 . 13 1 1 A 80 80 ASP N N 80 121.227 117.021 4.206 1
1 994 . 13 1 1 A 81 81 VAL H H 81 8.638 9.066 -0.428 1
1 995 . 13 1 1 A 81 81 VAL HA H 81 5.055 5.345 -0.290 1
1 1003 . 13 1 1 A 81 81 VAL C C 81 172.826 174.750 -1.924 1
1 1004 . 13 1 1 A 81 81 VAL CA C 81 57.723 62.039 -4.316 1
1 1005 . 13 1 1 A 81 81 VAL CB C 81 31.767 33.367 -1.600 1
1 1008 . 13 1 1 A 81 81 VAL N N 81 118.946 122.480 -3.534 1
1 1009 . 13 1 1 A 82 82 ILE H H 82 9.007 9.145 -0.138 1
1 1010 . 13 1 1 A 82 82 ILE HA H 82 5.789 5.309 0.480 1
1 1020 . 13 1 1 A 82 82 ILE C C 82 170.143 173.195 -3.052 1
1 1021 . 13 1 1 A 82 82 ILE CA C 82 55.824 58.855 -3.031 1
1 1022 . 13 1 1 A 82 82 ILE CB C 82 41.574 41.659 -0.085 1
1 1026 . 13 1 1 A 82 82 ILE N N 82 124.391 129.212 -4.821 1
1 1027 . 13 1 1 A 83 83 GLN H H 83 9.415 8.577 0.838 1
1 1028 . 13 1 1 A 83 83 GLN HA H 83 4.815 5.096 -0.281 1
1 1035 . 13 1 1 A 83 83 GLN C C 83 172.719 174.401 -1.682 1
1 1036 . 13 1 1 A 83 83 GLN CA C 83 52.016 54.486 -2.470 1
1 1037 . 13 1 1 A 83 83 GLN CB C 83 32.094 30.839 1.255 1
1 1039 . 13 1 1 A 83 83 GLN N N 83 127.774 129.307 -1.533 1
1 1041 . 13 1 1 A 84 84 ILE H H 84 8.878 8.683 0.195 1
1 1042 . 13 1 1 A 84 84 ILE HA H 84 4.074 4.310 -0.236 1
1 1052 . 13 1 1 A 84 84 ILE C C 84 173.096 175.411 -2.315 1
1 1053 . 13 1 1 A 84 84 ILE CA C 84 57.372 61.450 -4.078 1
1 1054 . 13 1 1 A 84 84 ILE CB C 84 34.771 37.725 -2.954 1
1 1058 . 13 1 1 A 84 84 ILE N N 84 126.673 127.339 -0.666 1
1 1059 . 13 1 1 A 85 85 VAL H H 85 8.562 8.514 0.048 1
1 1060 . 13 1 1 A 85 85 VAL HA H 85 3.914 4.388 -0.474 1
1 1068 . 13 1 1 A 85 85 VAL C C 85 172.438 174.346 -1.908 1
1 1069 . 13 1 1 A 85 85 VAL CA C 85 60.112 60.771 -0.659 1
1 1070 . 13 1 1 A 85 85 VAL CB C 85 28.964 33.388 -4.424 1
1 1073 . 13 1 1 A 85 85 VAL N N 85 130.400 129.245 1.155 1
1 1074 . 13 1 1 A 86 86 LYS H H 86 8.399 8.490 -0.091 1
1 1075 . 13 1 1 A 86 86 LYS HA H 86 4.640 4.812 -0.172 1
1 1084 . 13 1 1 A 86 86 LYS C C 86 174.388 176.699 -2.311 1
1 1085 . 13 1 1 A 86 86 LYS CA C 86 53.301 54.474 -1.173 1
1 1086 . 13 1 1 A 86 86 LYS CB C 86 32.587 34.312 -1.725 1
1 1090 . 13 1 1 A 86 86 LYS N N 86 126.582 126.931 -0.349 1
1 1091 . 13 1 1 A 87 87 LYS H H 87 8.485 8.607 -0.122 1
1 1092 . 13 1 1 A 87 87 LYS HA H 87 3.923 4.311 -0.388 1
1 1101 . 13 1 1 A 87 87 LYS C C 87 174.196 176.299 -2.103 1
1 1102 . 13 1 1 A 87 87 LYS CA C 87 55.171 57.202 -2.031 1
1 1103 . 13 1 1 A 87 87 LYS CB C 87 31.274 33.275 -2.001 1
1 1107 . 13 1 1 A 87 87 LYS N N 87 119.203 123.794 -4.591 1
1 1108 . 13 1 1 A 89 89 GLY HA2 H 89 4.034 4.162 -0.128 1
1 1109 . 13 1 1 A 89 89 GLY HA3 H 89 4.034 4.162 -0.128 1
1 1110 . 13 1 1 A 89 89 GLY CA C 89 42.366 44.386 -2.020 1
1 1111 . 13 1 1 A 90 90 PRO HA H 90 4.369 4.781 -0.412 1
1 1118 . 13 1 1 A 90 90 PRO CA C 90 61.070 62.645 -1.575 1
1 1119 . 13 1 1 A 90 90 PRO CB C 90 29.818 32.675 -2.857 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.759 3.883 -0.124 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.759 4.063 -0.304 1
1 3 . 14 1 1 A 7 7 GLY C C 7 171.455 173.594 -2.139 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 42.980 44.748 -1.768 1
1 5 . 14 1 1 A 8 8 TYR H H 8 7.813 8.078 -0.265 1
1 6 . 14 1 1 A 8 8 TYR HA H 8 4.391 4.946 -0.555 1
1 13 . 14 1 1 A 8 8 TYR C C 8 173.043 175.616 -2.573 1
1 14 . 14 1 1 A 8 8 TYR CA C 8 55.501 57.005 -1.504 1
1 15 . 14 1 1 A 8 8 TYR CB C 8 36.317 38.987 -2.670 1
1 20 . 14 1 1 A 8 8 TYR N N 8 119.411 121.200 -1.789 1
1 21 . 14 1 1 A 9 9 LEU H H 9 7.861 7.232 0.629 1
1 22 . 14 1 1 A 9 9 LEU HA H 9 4.118 4.191 -0.073 1
1 32 . 14 1 1 A 9 9 LEU C C 9 173.714 176.258 -2.544 1
1 33 . 14 1 1 A 9 9 LEU CA C 9 52.544 55.191 -2.647 1
1 34 . 14 1 1 A 9 9 LEU CB C 9 40.106 41.649 -1.543 1
1 38 . 14 1 1 A 9 9 LEU N N 9 123.594 124.292 -0.698 1
1 39 . 14 1 1 A 10 10 LYS H H 10 7.976 8.684 -0.708 1
1 40 . 14 1 1 A 10 10 LYS HA H 10 4.108 4.614 -0.506 1
1 49 . 14 1 1 A 10 10 LYS C C 10 172.845 175.532 -2.687 1
1 50 . 14 1 1 A 10 10 LYS CA C 10 54.150 56.084 -1.934 1
1 51 . 14 1 1 A 10 10 LYS CB C 10 30.736 33.343 -2.607 1
1 55 . 14 1 1 A 10 10 LYS N N 10 122.047 126.229 -4.182 1
1 56 . 14 1 1 A 11 11 LEU H H 11 8.102 8.847 -0.745 1
1 57 . 14 1 1 A 11 11 LEU HA H 11 4.711 5.084 -0.373 1
1 67 . 14 1 1 A 11 11 LEU C C 11 173.849 176.273 -2.424 1
1 68 . 14 1 1 A 11 11 LEU CA C 11 51.523 53.556 -2.033 1
1 69 . 14 1 1 A 11 11 LEU CB C 11 41.767 44.562 -2.795 1
1 73 . 14 1 1 A 11 11 LEU N N 11 123.872 126.059 -2.187 1
1 74 . 14 1 1 A 12 12 VAL H H 12 8.956 8.803 0.153 1
1 75 . 14 1 1 A 12 12 VAL HA H 12 4.044 4.982 -0.938 1
1 83 . 14 1 1 A 12 12 VAL C C 12 171.356 174.244 -2.888 1
1 84 . 14 1 1 A 12 12 VAL CA C 12 59.549 59.300 0.249 1
1 85 . 14 1 1 A 12 12 VAL CB C 12 31.500 34.834 -3.334 1
1 88 . 14 1 1 A 12 12 VAL N N 12 122.036 118.748 3.288 1
1 89 . 14 1 1 A 13 13 ARG H H 13 9.211 9.112 0.099 1
1 90 . 14 1 1 A 13 13 ARG HA H 13 4.434 5.068 -0.634 1
1 98 . 14 1 1 A 13 13 ARG C C 13 171.964 175.044 -3.080 1
1 99 . 14 1 1 A 13 13 ARG CA C 13 52.791 54.905 -2.114 1
1 100 . 14 1 1 A 13 13 ARG CB C 13 29.067 32.477 -3.410 1
1 103 . 14 1 1 A 13 13 ARG N N 13 125.178 123.440 1.738 1
1 105 . 14 1 1 A 14 14 ILE H H 14 8.811 8.758 0.053 1
1 106 . 14 1 1 A 14 14 ILE HA H 14 4.592 4.643 -0.051 1
1 116 . 14 1 1 A 14 14 ILE C C 14 173.197 174.365 -1.168 1
1 117 . 14 1 1 A 14 14 ILE CA C 14 55.308 60.190 -4.882 1
1 118 . 14 1 1 A 14 14 ILE CB C 14 36.411 40.572 -4.161 1
1 122 . 14 1 1 A 14 14 ILE N N 14 122.061 123.573 -1.512 1
1 123 . 14 1 1 A 15 15 TYR H H 15 8.781 8.718 0.063 1
1 124 . 14 1 1 A 15 15 TYR HA H 15 5.103 4.936 0.167 1
1 131 . 14 1 1 A 15 15 TYR C C 15 172.764 175.328 -2.564 1
1 132 . 14 1 1 A 15 15 TYR CA C 15 53.740 56.973 -3.233 1
1 133 . 14 1 1 A 15 15 TYR CB C 15 37.340 37.764 -0.424 1
1 138 . 14 1 1 A 15 15 TYR N N 15 125.241 126.955 -1.714 1
1 139 . 14 1 1 A 16 16 THR H H 16 8.961 8.901 0.060 1
1 140 . 14 1 1 A 16 16 THR HA H 16 4.806 4.607 0.199 1
1 145 . 14 1 1 A 16 16 THR C C 16 171.478 173.453 -1.975 1
1 146 . 14 1 1 A 16 16 THR CA C 16 59.180 62.641 -3.461 1
1 147 . 14 1 1 A 16 16 THR CB C 16 68.174 69.697 -1.523 1
1 149 . 14 1 1 A 16 16 THR N N 16 116.007 120.598 -4.591 1
1 150 . 14 1 1 A 17 17 LYS H H 17 8.397 8.905 -0.508 1
1 151 . 14 1 1 A 17 17 LYS HA H 17 4.446 4.987 -0.541 1
1 160 . 14 1 1 A 17 17 LYS C C 17 170.870 174.354 -3.484 1
1 161 . 14 1 1 A 17 17 LYS CA C 17 50.238 52.698 -2.460 1
1 162 . 14 1 1 A 17 17 LYS CB C 17 32.677 33.672 -0.995 1
1 166 . 14 1 1 A 17 17 LYS N N 17 125.122 128.445 -3.323 1
1 167 . 14 1 1 A 18 18 PRO HA H 18 4.474 4.623 -0.149 1
1 174 . 14 1 1 A 18 18 PRO C C 18 174.170 177.267 -3.097 1
1 175 . 14 1 1 A 18 18 PRO CA C 18 59.250 62.891 -3.641 1
1 176 . 14 1 1 A 18 18 PRO CB C 18 29.517 32.014 -2.497 1
1 179 . 14 1 1 A 19 19 LYS H H 19 8.467 8.415 0.052 1
1 180 . 14 1 1 A 19 19 LYS HA H 19 3.887 4.093 -0.206 1
1 187 . 14 1 1 A 19 19 LYS C C 19 175.944 176.975 -1.031 1
1 188 . 14 1 1 A 19 19 LYS CA C 19 55.732 56.842 -1.110 1
1 189 . 14 1 1 A 19 19 LYS CB C 19 29.818 32.022 -2.204 1
1 193 . 14 1 1 A 19 19 LYS N N 19 121.921 119.953 1.968 1
1 194 . 14 1 1 A 20 20 GLY HA2 H 20 3.958 4.013 -0.055 1
1 195 . 14 1 1 A 20 20 GLY HA3 H 20 3.676 4.014 -0.338 1
1 196 . 14 1 1 A 20 20 GLY C C 20 171.329 173.996 -2.667 1
1 197 . 14 1 1 A 20 20 GLY CA C 20 43.304 45.080 -1.776 1
1 198 . 14 1 1 A 21 21 GLN H H 21 7.553 7.480 0.073 1
1 199 . 14 1 1 A 21 21 GLN HA H 21 4.581 4.670 -0.089 1
1 206 . 14 1 1 A 21 21 GLN C C 21 172.091 175.693 -3.602 1
1 207 . 14 1 1 A 21 21 GLN CA C 21 51.330 54.333 -3.003 1
1 208 . 14 1 1 A 21 21 GLN CB C 21 29.767 30.916 -1.149 1
1 210 . 14 1 1 A 21 21 GLN N N 21 117.269 121.385 -4.116 1
1 212 . 14 1 1 A 22 22 LEU H H 22 8.048 8.197 -0.149 1
1 213 . 14 1 1 A 22 22 LEU HA H 22 4.292 4.862 -0.570 1
1 223 . 14 1 1 A 22 22 LEU C C 22 171.986 174.956 -2.970 1
1 224 . 14 1 1 A 22 22 LEU CA C 22 50.950 52.539 -1.589 1
1 225 . 14 1 1 A 22 22 LEU CB C 22 38.362 42.556 -4.194 1
1 229 . 14 1 1 A 22 22 LEU N N 22 119.689 121.479 -1.790 1
1 230 . 14 1 1 A 23 23 PRO HA H 23 4.196 4.882 -0.686 1
1 237 . 14 1 1 A 23 23 PRO C C 23 172.331 176.422 -4.091 1
1 238 . 14 1 1 A 23 23 PRO CA C 23 59.882 62.511 -2.629 1
1 239 . 14 1 1 A 23 23 PRO CB C 23 28.948 31.308 -2.360 1
1 242 . 14 1 1 A 24 24 ASP H H 24 8.191 8.365 -0.174 1
1 243 . 14 1 1 A 24 24 ASP HA H 24 4.649 4.524 0.125 1
1 246 . 14 1 1 A 24 24 ASP C C 24 175.312 175.913 -0.601 1
1 247 . 14 1 1 A 24 24 ASP CA C 24 49.710 54.707 -4.997 1
1 248 . 14 1 1 A 24 24 ASP CB C 24 37.229 40.584 -3.355 1
1 249 . 14 1 1 A 24 24 ASP N N 24 118.307 122.224 -3.917 1
1 250 . 14 1 1 A 25 25 TYR H H 25 8.171 8.665 -0.494 1
1 251 . 14 1 1 A 25 25 TYR HA H 25 4.173 4.750 -0.577 1
1 258 . 14 1 1 A 25 25 TYR C C 25 173.720 175.970 -2.250 1
1 259 . 14 1 1 A 25 25 TYR CA C 25 57.297 58.120 -0.823 1
1 260 . 14 1 1 A 25 25 TYR CB C 25 34.897 38.664 -3.767 1
1 265 . 14 1 1 A 25 25 TYR N N 25 123.576 123.681 -0.105 1
1 266 . 14 1 1 A 26 26 THR H H 26 8.278 8.264 0.014 1
1 267 . 14 1 1 A 26 26 THR HA H 26 4.343 4.728 -0.385 1
1 272 . 14 1 1 A 26 26 THR C C 26 173.145 174.807 -1.662 1
1 273 . 14 1 1 A 26 26 THR CA C 26 60.799 63.087 -2.288 1
1 274 . 14 1 1 A 26 26 THR CB C 26 67.379 71.007 -3.628 1
1 276 . 14 1 1 A 26 26 THR N N 26 109.145 114.536 -5.391 1
1 277 . 14 1 1 A 27 27 SER H H 27 7.085 8.091 -1.006 1
1 278 . 14 1 1 A 27 27 SER HA H 27 5.002 4.882 0.120 1
1 281 . 14 1 1 A 27 27 SER C C 27 169.729 172.707 -2.978 1
1 282 . 14 1 1 A 27 27 SER CA C 27 52.526 55.979 -3.453 1
1 283 . 14 1 1 A 27 27 SER CB C 27 61.215 63.875 -2.660 1
1 284 . 14 1 1 A 27 27 SER N N 27 114.134 116.118 -1.984 1
1 285 . 14 1 1 A 28 28 PRO HA H 28 4.553 4.666 -0.113 1
1 292 . 14 1 1 A 28 28 PRO C C 28 174.448 175.550 -1.102 1
1 293 . 14 1 1 A 28 28 PRO CA C 28 60.482 62.364 -1.882 1
1 294 . 14 1 1 A 28 28 PRO CB C 28 29.224 33.066 -3.842 1
1 297 . 14 1 1 A 29 29 VAL H H 29 9.191 8.005 1.186 1
1 298 . 14 1 1 A 29 29 VAL HA H 29 3.946 4.604 -0.658 1
1 306 . 14 1 1 A 29 29 VAL C C 29 172.641 173.724 -1.083 1
1 307 . 14 1 1 A 29 29 VAL CA C 29 60.367 60.260 0.107 1
1 308 . 14 1 1 A 29 29 VAL CB C 29 30.546 34.294 -3.748 1
1 311 . 14 1 1 A 29 29 VAL N N 29 123.735 120.306 3.429 1
1 312 . 14 1 1 A 30 30 VAL H H 30 8.169 9.056 -0.887 1
1 313 . 14 1 1 A 30 30 VAL HA H 30 4.940 4.861 0.079 1
1 321 . 14 1 1 A 30 30 VAL C C 30 173.560 175.011 -1.451 1
1 322 . 14 1 1 A 30 30 VAL CA C 30 58.568 61.539 -2.971 1
1 323 . 14 1 1 A 30 30 VAL CB C 30 30.303 31.756 -1.453 1
1 326 . 14 1 1 A 30 30 VAL N N 30 125.255 129.033 -3.778 1
1 327 . 14 1 1 A 31 31 LEU H H 31 8.889 8.628 0.261 1
1 328 . 14 1 1 A 31 31 LEU HA H 31 4.816 4.736 0.080 1
1 338 . 14 1 1 A 31 31 LEU C C 31 171.113 174.784 -3.671 1
1 339 . 14 1 1 A 31 31 LEU CA C 31 48.760 52.431 -3.671 1
1 340 . 14 1 1 A 31 31 LEU CB C 31 40.938 41.545 -0.607 1
1 344 . 14 1 1 A 31 31 LEU N N 31 127.017 128.760 -1.743 1
1 345 . 14 1 1 A 32 32 PRO HA H 32 4.531 4.717 -0.186 1
1 352 . 14 1 1 A 32 32 PRO C C 32 174.294 177.547 -3.253 1
1 353 . 14 1 1 A 32 32 PRO CA C 32 59.648 62.829 -3.181 1
1 354 . 14 1 1 A 32 32 PRO CB C 32 29.349 31.718 -2.369 1
1 357 . 14 1 1 A 33 33 TYR H H 33 8.105 8.533 -0.428 1
1 358 . 14 1 1 A 33 33 TYR HA H 33 3.788 3.991 -0.203 1
1 365 . 14 1 1 A 33 33 TYR C C 33 173.470 177.291 -3.821 1
1 366 . 14 1 1 A 33 33 TYR CA C 33 58.159 62.315 -4.156 1
1 367 . 14 1 1 A 33 33 TYR CB C 33 36.244 39.286 -3.042 1
1 372 . 14 1 1 A 33 33 TYR N N 33 120.060 126.836 -6.776 1
1 373 . 14 1 1 A 34 34 SER H H 34 7.868 8.289 -0.421 1
1 374 . 14 1 1 A 34 34 SER HA H 34 3.814 4.301 -0.487 1
1 377 . 14 1 1 A 34 34 SER C C 34 171.946 174.090 -2.144 1
1 378 . 14 1 1 A 34 34 SER CA C 34 58.212 61.290 -3.078 1
1 379 . 14 1 1 A 34 34 SER CB C 34 60.928 63.305 -2.377 1
1 380 . 14 1 1 A 34 34 SER N N 34 116.733 114.568 2.165 1
1 381 . 14 1 1 A 35 35 ARG H H 35 7.883 7.931 -0.048 1
1 382 . 14 1 1 A 35 35 ARG HA H 35 4.575 4.681 -0.106 1
1 389 . 14 1 1 A 35 35 ARG C C 35 172.091 174.567 -2.476 1
1 390 . 14 1 1 A 35 35 ARG CA C 35 52.067 54.884 -2.817 1
1 391 . 14 1 1 A 35 35 ARG CB C 35 28.228 31.605 -3.377 1
1 394 . 14 1 1 A 35 35 ARG N N 35 125.492 119.284 6.208 1
1 395 . 14 1 1 A 36 36 THR H H 36 7.874 8.645 -0.771 1
1 396 . 14 1 1 A 36 36 THR HA H 36 4.613 5.325 -0.712 1
1 401 . 14 1 1 A 36 36 THR C C 36 173.095 173.347 -0.252 1
1 402 . 14 1 1 A 36 36 THR CA C 36 57.029 60.579 -3.550 1
1 403 . 14 1 1 A 36 36 THR CB C 36 66.113 70.850 -4.737 1
1 405 . 14 1 1 A 36 36 THR N N 36 107.510 114.806 -7.296 1
1 406 . 14 1 1 A 37 37 THR H H 37 8.804 8.480 0.324 1
1 407 . 14 1 1 A 37 37 THR HA H 37 5.288 4.614 0.674 1
1 412 . 14 1 1 A 37 37 THR C C 37 174.234 174.481 -0.247 1
1 413 . 14 1 1 A 37 37 THR CA C 37 59.681 60.714 -1.033 1
1 414 . 14 1 1 A 37 37 THR CB C 37 70.032 70.736 -0.704 1
1 416 . 14 1 1 A 37 37 THR N N 37 112.714 117.123 -4.409 1
1 417 . 14 1 1 A 38 38 VAL H H 38 8.269 8.826 -0.557 1
1 418 . 14 1 1 A 38 38 VAL HA H 38 3.485 3.628 -0.143 1
1 426 . 14 1 1 A 38 38 VAL C C 38 175.909 177.317 -1.408 1
1 427 . 14 1 1 A 38 38 VAL CA C 38 64.496 66.761 -2.265 1
1 428 . 14 1 1 A 38 38 VAL CB C 38 29.015 31.247 -2.232 1
1 431 . 14 1 1 A 38 38 VAL N N 38 121.372 122.606 -1.234 1
1 432 . 14 1 1 A 39 39 GLU H H 39 8.597 8.286 0.311 1
1 433 . 14 1 1 A 39 39 GLU HA H 39 3.495 3.882 -0.387 1
1 438 . 14 1 1 A 39 39 GLU C C 39 174.769 178.509 -3.740 1
1 439 . 14 1 1 A 39 39 GLU CA C 39 58.418 58.812 -0.394 1
1 440 . 14 1 1 A 39 39 GLU CB C 39 27.358 28.601 -1.243 1
1 442 . 14 1 1 A 39 39 GLU N N 39 121.954 119.199 2.755 1
1 443 . 14 1 1 A 40 40 ASP H H 40 7.493 8.378 -0.885 1
1 444 . 14 1 1 A 40 40 ASP HA H 40 4.071 4.379 -0.308 1
1 447 . 14 1 1 A 40 40 ASP C C 40 176.738 178.403 -1.665 1
1 448 . 14 1 1 A 40 40 ASP CA C 40 55.877 57.062 -1.185 1
1 449 . 14 1 1 A 40 40 ASP CB C 40 38.721 40.652 -1.931 1
1 450 . 14 1 1 A 40 40 ASP N N 40 119.054 121.213 -2.159 1
1 451 . 14 1 1 A 41 41 PHE H H 41 8.429 7.986 0.443 1
1 452 . 14 1 1 A 41 41 PHE HA H 41 3.750 4.111 -0.361 1
1 460 . 14 1 1 A 41 41 PHE C C 41 173.786 177.351 -3.565 1
1 461 . 14 1 1 A 41 41 PHE CA C 41 59.851 60.770 -0.919 1
1 462 . 14 1 1 A 41 41 PHE CB C 41 36.135 39.296 -3.161 1
1 468 . 14 1 1 A 41 41 PHE N N 41 121.017 119.960 1.057 1
1 469 . 14 1 1 A 42 42 CYS H H 42 8.527 8.036 0.491 1
1 470 . 14 1 1 A 42 42 CYS HA H 42 3.752 4.301 -0.549 1
1 473 . 14 1 1 A 42 42 CYS C C 42 174.065 177.834 -3.769 1
1 474 . 14 1 1 A 42 42 CYS CA C 42 62.453 62.380 0.073 1
1 475 . 14 1 1 A 42 42 CYS CB C 42 24.429 26.987 -2.558 1
1 476 . 14 1 1 A 42 42 CYS N N 42 116.390 116.801 -0.411 1
1 477 . 14 1 1 A 43 43 MET H H 43 7.739 8.234 -0.495 1
1 478 . 14 1 1 A 43 43 MET HA H 43 3.885 4.226 -0.341 1
1 486 . 14 1 1 A 43 43 MET C C 43 175.345 178.432 -3.087 1
1 487 . 14 1 1 A 43 43 MET CA C 43 54.460 58.001 -3.541 1
1 488 . 14 1 1 A 43 43 MET CB C 43 28.872 33.235 -4.363 1
1 491 . 14 1 1 A 43 43 MET N N 43 114.377 119.269 -4.892 1
1 492 . 14 1 1 A 44 44 LYS H H 44 7.257 8.069 -0.812 1
1 493 . 14 1 1 A 44 44 LYS HA H 44 3.896 3.911 -0.015 1
1 502 . 14 1 1 A 44 44 LYS C C 44 175.198 178.499 -3.301 1
1 503 . 14 1 1 A 44 44 LYS CA C 44 54.181 58.626 -4.445 1
1 504 . 14 1 1 A 44 44 LYS CB C 44 29.291 31.922 -2.631 1
1 508 . 14 1 1 A 44 44 LYS N N 44 117.480 118.448 -0.968 1
1 509 . 14 1 1 A 45 45 ILE H H 45 7.146 6.992 0.154 1
1 510 . 14 1 1 A 45 45 ILE HA H 45 3.697 3.897 -0.200 1
1 520 . 14 1 1 A 45 45 ILE C C 45 174.894 176.092 -1.198 1
1 521 . 14 1 1 A 45 45 ILE CA C 45 59.954 63.177 -3.223 1
1 522 . 14 1 1 A 45 45 ILE CB C 45 33.943 38.731 -4.788 1
1 526 . 14 1 1 A 45 45 ILE N N 45 119.267 117.033 2.234 1
1 527 . 14 1 1 A 46 46 HIS H H 46 7.982 8.000 -0.018 1
1 528 . 14 1 1 A 46 46 HIS HA H 46 4.200 4.796 -0.596 1
1 533 . 14 1 1 A 46 46 HIS C C 46 173.349 175.534 -2.185 1
1 534 . 14 1 1 A 46 46 HIS CA C 46 56.363 55.983 0.380 1
1 535 . 14 1 1 A 46 46 HIS CB C 46 30.998 32.693 -1.695 1
1 538 . 14 1 1 A 46 46 HIS N N 46 116.498 117.010 -0.512 1
1 539 . 14 1 1 A 47 47 LYS H H 47 8.478 8.967 -0.489 1
1 540 . 14 1 1 A 47 47 LYS HA H 47 4.091 4.092 -0.001 1
1 545 . 14 1 1 A 47 47 LYS C C 47 174.519 177.176 -2.657 1
1 546 . 14 1 1 A 47 47 LYS CA C 47 57.279 58.754 -1.475 1
1 547 . 14 1 1 A 47 47 LYS CB C 47 29.709 31.999 -2.290 1
1 551 . 14 1 1 A 47 47 LYS N N 47 127.686 124.404 3.282 1
1 552 . 14 1 1 A 48 48 ASN H H 48 10.623 8.086 2.537 1
1 553 . 14 1 1 A 48 48 ASN HA H 48 4.839 4.586 0.253 1
1 558 . 14 1 1 A 48 48 ASN C C 48 175.138 176.424 -1.286 1
1 559 . 14 1 1 A 48 48 ASN CA C 48 50.960 52.909 -1.949 1
1 560 . 14 1 1 A 48 48 ASN CB C 48 36.975 37.414 -0.439 1
1 561 . 14 1 1 A 48 48 ASN N N 48 118.711 116.937 1.774 1
1 563 . 14 1 1 A 49 49 LEU H H 49 7.796 8.064 -0.268 1
1 564 . 14 1 1 A 49 49 LEU HA H 49 4.103 4.155 -0.052 1
1 574 . 14 1 1 A 49 49 LEU C C 49 176.976 178.110 -1.134 1
1 575 . 14 1 1 A 49 49 LEU CA C 49 56.381 57.706 -1.325 1
1 576 . 14 1 1 A 49 49 LEU CB C 49 39.064 41.878 -2.814 1
1 580 . 14 1 1 A 49 49 LEU N N 49 124.676 121.026 3.650 1
1 581 . 14 1 1 A 50 50 ILE H H 50 9.052 8.038 1.014 1
1 582 . 14 1 1 A 50 50 ILE HA H 50 4.060 3.804 0.256 1
1 592 . 14 1 1 A 50 50 ILE C C 50 173.983 177.635 -3.652 1
1 593 . 14 1 1 A 50 50 ILE CA C 50 57.842 64.000 -6.158 1
1 594 . 14 1 1 A 50 50 ILE CB C 50 35.943 37.757 -1.814 1
1 598 . 14 1 1 A 50 50 ILE N N 50 116.565 118.897 -2.332 1
1 599 . 14 1 1 A 51 51 LYS H H 51 7.275 8.085 -0.810 1
1 600 . 14 1 1 A 51 51 LYS HA H 51 4.143 4.072 0.071 1
1 609 . 14 1 1 A 51 51 LYS C C 51 175.668 178.329 -2.661 1
1 610 . 14 1 1 A 51 51 LYS CA C 51 55.696 59.759 -4.063 1
1 611 . 14 1 1 A 51 51 LYS CB C 51 29.767 32.238 -2.471 1
1 615 . 14 1 1 A 51 51 LYS N N 51 119.864 122.271 -2.407 1
1 616 . 14 1 1 A 52 52 GLU H H 52 7.590 8.019 -0.429 1
1 617 . 14 1 1 A 52 52 GLU HA H 52 4.319 4.390 -0.071 1
1 622 . 14 1 1 A 52 52 GLU C C 52 173.088 176.663 -3.575 1
1 623 . 14 1 1 A 52 52 GLU CA C 52 53.301 56.852 -3.551 1
1 624 . 14 1 1 A 52 52 GLU CB C 52 28.778 30.417 -1.639 1
1 626 . 14 1 1 A 52 52 GLU N N 52 116.453 116.788 -0.335 1
1 627 . 14 1 1 A 53 53 PHE H H 53 7.423 8.023 -0.600 1
1 628 . 14 1 1 A 53 53 PHE HA H 53 3.608 4.553 -0.945 1
1 636 . 14 1 1 A 53 53 PHE C C 53 170.946 175.396 -4.450 1
1 637 . 14 1 1 A 53 53 PHE CA C 53 57.983 59.324 -1.341 1
1 638 . 14 1 1 A 53 53 PHE CB C 53 38.913 39.882 -0.969 1
1 644 . 14 1 1 A 53 53 PHE N N 53 120.950 123.026 -2.076 1
1 645 . 14 1 1 A 54 54 LYS H H 54 8.385 8.906 -0.521 1
1 646 . 14 1 1 A 54 54 LYS HA H 54 4.268 4.238 0.030 1
1 655 . 14 1 1 A 54 54 LYS C C 54 173.038 175.400 -2.362 1
1 656 . 14 1 1 A 54 54 LYS CA C 54 55.263 57.252 -1.989 1
1 657 . 14 1 1 A 54 54 LYS CB C 54 32.730 33.894 -1.164 1
1 661 . 14 1 1 A 54 54 LYS N N 54 128.686 127.512 1.174 1
1 662 . 14 1 1 A 55 55 TYR H H 55 7.083 6.987 0.096 1
1 663 . 14 1 1 A 55 55 TYR HA H 55 4.120 4.547 -0.427 1
1 670 . 14 1 1 A 55 55 TYR C C 55 168.503 173.010 -4.507 1
1 671 . 14 1 1 A 55 55 TYR CA C 55 55.198 56.025 -0.827 1
1 672 . 14 1 1 A 55 55 TYR CB C 55 35.633 39.945 -4.312 1
1 677 . 14 1 1 A 55 55 TYR N N 55 110.963 112.874 -1.911 1
1 678 . 14 1 1 A 56 56 ALA H H 56 8.836 8.543 0.293 1
1 679 . 14 1 1 A 56 56 ALA HA H 56 5.293 5.491 -0.198 1
1 683 . 14 1 1 A 56 56 ALA C C 56 172.993 175.880 -2.887 1
1 684 . 14 1 1 A 56 56 ALA CA C 56 47.088 50.644 -3.556 1
1 685 . 14 1 1 A 56 56 ALA CB C 56 20.287 22.753 -2.466 1
1 686 . 14 1 1 A 56 56 ALA N N 56 118.379 121.889 -3.510 1
1 687 . 14 1 1 A 57 57 LEU H H 57 8.880 8.767 0.113 1
1 688 . 14 1 1 A 57 57 LEU HA H 57 4.854 4.871 -0.017 1
1 698 . 14 1 1 A 57 57 LEU C C 57 172.904 175.365 -2.461 1
1 699 . 14 1 1 A 57 57 LEU CA C 57 50.872 53.514 -2.642 1
1 700 . 14 1 1 A 57 57 LEU CB C 57 42.160 41.166 0.994 1
1 704 . 14 1 1 A 57 57 LEU N N 57 121.382 122.823 -1.441 1
1 705 . 14 1 1 A 58 58 VAL H H 58 8.123 7.726 0.397 1
1 706 . 14 1 1 A 58 58 VAL HA H 58 5.243 4.403 0.840 1
1 714 . 14 1 1 A 58 58 VAL C C 58 171.929 175.202 -3.273 1
1 715 . 14 1 1 A 58 58 VAL CA C 58 57.683 62.549 -4.866 1
1 716 . 14 1 1 A 58 58 VAL CB C 58 33.036 32.248 0.788 1
1 719 . 14 1 1 A 58 58 VAL N N 58 120.400 124.587 -4.187 1
1 720 . 14 1 1 A 59 59 TRP H H 59 9.316 8.793 0.523 1
1 721 . 14 1 1 A 59 59 TRP HA H 59 4.843 5.473 -0.630 1
1 730 . 14 1 1 A 59 59 TRP C C 59 173.582 176.728 -3.146 1
1 731 . 14 1 1 A 59 59 TRP CA C 59 54.736 55.175 -0.439 1
1 732 . 14 1 1 A 59 59 TRP CB C 59 30.514 30.752 -0.238 1
1 738 . 14 1 1 A 59 59 TRP N N 59 127.196 127.884 -0.688 1
1 740 . 14 1 1 A 60 60 GLY H H 60 8.531 8.554 -0.023 1
1 741 . 14 1 1 A 60 60 GLY HA2 H 60 4.934 4.353 0.581 1
1 742 . 14 1 1 A 60 60 GLY HA3 H 60 4.123 4.353 -0.230 1
1 743 . 14 1 1 A 60 60 GLY C C 60 171.378 174.438 -3.060 1
1 744 . 14 1 1 A 60 60 GLY CA C 60 42.587 45.815 -3.228 1
1 745 . 14 1 1 A 60 60 GLY N N 60 110.481 110.452 0.029 1
1 746 . 14 1 1 A 61 61 LEU H H 61 8.188 9.000 -0.812 1
1 747 . 14 1 1 A 61 61 LEU HA H 61 4.141 4.028 0.113 1
1 757 . 14 1 1 A 61 61 LEU C C 61 176.897 179.089 -2.192 1
1 758 . 14 1 1 A 61 61 LEU CA C 61 54.357 57.243 -2.886 1
1 759 . 14 1 1 A 61 61 LEU CB C 61 39.942 41.586 -1.644 1
1 763 . 14 1 1 A 61 61 LEU N N 61 118.667 121.230 -2.563 1
1 764 . 14 1 1 A 62 62 SER H H 62 8.123 8.186 -0.063 1
1 765 . 14 1 1 A 62 62 SER HA H 62 4.284 4.238 0.046 1
1 768 . 14 1 1 A 62 62 SER C C 62 171.932 173.795 -1.863 1
1 769 . 14 1 1 A 62 62 SER CA C 62 57.279 61.158 -3.879 1
1 770 . 14 1 1 A 62 62 SER CB C 62 60.354 63.453 -3.099 1
1 771 . 14 1 1 A 62 62 SER N N 62 110.946 113.213 -2.267 1
1 772 . 14 1 1 A 63 63 VAL H H 63 7.174 7.768 -0.594 1
1 773 . 14 1 1 A 63 63 VAL HA H 63 4.503 4.589 -0.086 1
1 781 . 14 1 1 A 63 63 VAL C C 63 173.221 175.884 -2.663 1
1 782 . 14 1 1 A 63 63 VAL CA C 63 57.573 59.011 -1.438 1
1 783 . 14 1 1 A 63 63 VAL CB C 63 31.826 34.853 -3.027 1
1 786 . 14 1 1 A 63 63 VAL N N 63 114.625 115.524 -0.899 1
1 787 . 14 1 1 A 64 64 LYS H H 64 8.112 8.386 -0.274 1
1 788 . 14 1 1 A 64 64 LYS HA H 64 4.105 3.990 0.115 1
1 796 . 14 1 1 A 64 64 LYS C C 64 174.259 176.908 -2.649 1
1 797 . 14 1 1 A 64 64 LYS CA C 64 54.586 59.337 -4.751 1
1 798 . 14 1 1 A 64 64 LYS CB C 64 30.837 32.354 -1.517 1
1 802 . 14 1 1 A 64 64 LYS N N 64 119.722 124.351 -4.629 1
1 803 . 14 1 1 A 65 65 HIS H H 65 7.496 7.657 -0.161 1
1 804 . 14 1 1 A 65 65 HIS HA H 65 4.497 5.293 -0.796 1
1 809 . 14 1 1 A 65 65 HIS C C 65 170.028 174.293 -4.265 1
1 810 . 14 1 1 A 65 65 HIS CA C 65 52.491 55.020 -2.529 1
1 811 . 14 1 1 A 65 65 HIS CB C 65 29.149 32.682 -3.533 1
1 814 . 14 1 1 A 65 65 HIS N N 65 117.336 115.131 2.205 1
1 815 . 14 1 1 A 66 66 ASN H H 66 8.135 9.005 -0.870 1
1 816 . 14 1 1 A 66 66 ASN HA H 66 4.986 5.180 -0.194 1
1 821 . 14 1 1 A 66 66 ASN C C 66 171.088 172.856 -1.768 1
1 822 . 14 1 1 A 66 66 ASN CA C 66 47.732 49.942 -2.210 1
1 823 . 14 1 1 A 66 66 ASN CB C 66 39.365 42.059 -2.694 1
1 824 . 14 1 1 A 66 66 ASN N N 66 118.616 118.273 0.343 1
1 826 . 14 1 1 A 67 67 PRO HA H 67 4.408 4.349 0.059 1
1 833 . 14 1 1 A 67 67 PRO C C 67 173.325 175.188 -1.863 1
1 834 . 14 1 1 A 67 67 PRO CA C 67 60.535 62.822 -2.287 1
1 835 . 14 1 1 A 67 67 PRO CB C 67 31.065 32.942 -1.877 1
1 838 . 14 1 1 A 68 68 GLN H H 68 8.323 8.370 -0.047 1
1 839 . 14 1 1 A 68 68 GLN HA H 68 4.295 4.760 -0.465 1
1 846 . 14 1 1 A 68 68 GLN C C 68 172.005 173.933 -1.928 1
1 847 . 14 1 1 A 68 68 GLN CA C 68 51.805 54.696 -2.891 1
1 848 . 14 1 1 A 68 68 GLN CB C 68 30.014 32.165 -2.151 1
1 850 . 14 1 1 A 68 68 GLN N N 68 118.089 121.378 -3.289 1
1 852 . 14 1 1 A 69 69 LYS H H 69 8.268 8.435 -0.167 1
1 853 . 14 1 1 A 69 69 LYS HA H 69 4.907 4.548 0.359 1
1 862 . 14 1 1 A 69 69 LYS C C 69 174.226 176.205 -1.979 1
1 863 . 14 1 1 A 69 69 LYS CA C 69 53.598 55.968 -2.370 1
1 864 . 14 1 1 A 69 69 LYS CB C 69 30.096 33.143 -3.047 1
1 868 . 14 1 1 A 69 69 LYS N N 69 125.766 126.857 -1.091 1
1 869 . 14 1 1 A 70 70 VAL H H 70 9.409 8.840 0.569 1
1 870 . 14 1 1 A 70 70 VAL HA H 70 4.723 4.987 -0.264 1
1 878 . 14 1 1 A 70 70 VAL C C 70 172.498 176.005 -3.507 1
1 879 . 14 1 1 A 70 70 VAL CA C 70 56.680 60.004 -3.324 1
1 880 . 14 1 1 A 70 70 VAL CB C 70 33.332 34.276 -0.944 1
1 883 . 14 1 1 A 70 70 VAL N N 70 120.660 121.375 -0.715 1
1 884 . 14 1 1 A 71 71 GLY H H 71 8.445 8.590 -0.145 1
1 885 . 14 1 1 A 71 71 GLY HA2 H 71 4.961 4.265 0.696 1
1 886 . 14 1 1 A 71 71 GLY HA3 H 71 3.898 4.329 -0.431 1
1 887 . 14 1 1 A 71 71 GLY C C 71 172.669 174.835 -2.166 1
1 888 . 14 1 1 A 71 71 GLY CA C 71 40.896 44.378 -3.482 1
1 889 . 14 1 1 A 71 71 GLY N N 71 106.755 109.763 -3.008 1
1 890 . 14 1 1 A 72 72 LYS H H 72 8.573 8.973 -0.400 1
1 891 . 14 1 1 A 72 72 LYS HA H 72 3.454 3.985 -0.531 1
1 900 . 14 1 1 A 72 72 LYS C C 72 172.853 176.848 -3.995 1
1 901 . 14 1 1 A 72 72 LYS CA C 72 56.108 58.595 -2.487 1
1 902 . 14 1 1 A 72 72 LYS CB C 72 29.993 32.390 -2.397 1
1 906 . 14 1 1 A 72 72 LYS N N 72 114.685 118.153 -3.468 1
1 907 . 14 1 1 A 73 73 ASP H H 73 8.517 7.888 0.629 1
1 908 . 14 1 1 A 73 73 ASP HA H 73 4.543 4.708 -0.165 1
1 911 . 14 1 1 A 73 73 ASP C C 73 173.041 175.996 -2.955 1
1 912 . 14 1 1 A 73 73 ASP CA C 73 51.118 54.217 -3.099 1
1 913 . 14 1 1 A 73 73 ASP CB C 73 38.311 41.376 -3.065 1
1 914 . 14 1 1 A 73 73 ASP N N 73 115.449 119.607 -4.158 1
1 915 . 14 1 1 A 74 74 HIS H H 74 7.173 7.742 -0.569 1
1 916 . 14 1 1 A 74 74 HIS HA H 74 4.084 4.409 -0.325 1
1 921 . 14 1 1 A 74 74 HIS C C 74 172.466 175.362 -2.896 1
1 922 . 14 1 1 A 74 74 HIS CA C 74 55.483 57.002 -1.519 1
1 923 . 14 1 1 A 74 74 HIS CB C 74 29.868 30.255 -0.387 1
1 926 . 14 1 1 A 74 74 HIS N N 74 120.387 119.935 0.452 1
1 927 . 14 1 1 A 75 75 THR H H 75 7.573 8.315 -0.742 1
1 928 . 14 1 1 A 75 75 THR HA H 75 3.562 4.165 -0.603 1
1 933 . 14 1 1 A 75 75 THR C C 75 170.555 173.819 -3.264 1
1 934 . 14 1 1 A 75 75 THR CA C 75 61.656 62.817 -1.161 1
1 935 . 14 1 1 A 75 75 THR CB C 75 66.449 69.416 -2.967 1
1 937 . 14 1 1 A 75 75 THR N N 75 123.519 120.807 2.712 1
1 938 . 14 1 1 A 76 76 LEU H H 76 8.300 8.442 -0.142 1
1 939 . 14 1 1 A 76 76 LEU HA H 76 4.187 4.844 -0.657 1
1 949 . 14 1 1 A 76 76 LEU C C 76 174.153 176.137 -1.984 1
1 950 . 14 1 1 A 76 76 LEU CA C 76 52.201 53.483 -1.282 1
1 951 . 14 1 1 A 76 76 LEU CB C 76 40.188 43.702 -3.514 1
1 955 . 14 1 1 A 76 76 LEU N N 76 127.705 126.904 0.801 1
1 956 . 14 1 1 A 77 77 GLU H H 77 9.006 8.904 0.102 1
1 957 . 14 1 1 A 77 77 GLU HA H 77 4.295 4.830 -0.535 1
1 962 . 14 1 1 A 77 77 GLU C C 77 172.035 175.311 -3.276 1
1 963 . 14 1 1 A 77 77 GLU CA C 77 51.734 54.403 -2.669 1
1 964 . 14 1 1 A 77 77 GLU CB C 77 30.671 32.732 -2.061 1
1 966 . 14 1 1 A 77 77 GLU N N 77 120.330 121.757 -1.427 1
1 967 . 14 1 1 A 78 78 ASP H H 78 8.375 8.682 -0.307 1
1 968 . 14 1 1 A 78 78 ASP HA H 78 4.289 4.387 -0.098 1
1 971 . 14 1 1 A 78 78 ASP C C 78 174.522 177.034 -2.512 1
1 972 . 14 1 1 A 78 78 ASP CA C 78 54.779 54.589 0.190 1
1 973 . 14 1 1 A 78 78 ASP CB C 78 39.200 41.563 -2.363 1
1 974 . 14 1 1 A 78 78 ASP N N 78 116.751 122.867 -6.116 1
1 975 . 14 1 1 A 79 79 GLU H H 79 9.867 8.751 1.116 1
1 976 . 14 1 1 A 79 79 GLU HA H 79 3.685 4.029 -0.344 1
1 981 . 14 1 1 A 79 79 GLU C C 79 172.755 174.593 -1.838 1
1 982 . 14 1 1 A 79 79 GLU CA C 79 57.384 57.353 0.031 1
1 983 . 14 1 1 A 79 79 GLU CB C 79 24.429 28.179 -3.750 1
1 985 . 14 1 1 A 79 79 GLU N N 79 119.409 119.088 0.321 1
1 986 . 14 1 1 A 80 80 ASP H H 80 8.212 7.502 0.710 1
1 987 . 14 1 1 A 80 80 ASP HA H 80 4.833 5.417 -0.584 1
1 990 . 14 1 1 A 80 80 ASP C C 80 171.935 174.719 -2.784 1
1 991 . 14 1 1 A 80 80 ASP CA C 80 53.900 52.854 1.046 1
1 992 . 14 1 1 A 80 80 ASP CB C 80 39.633 44.209 -4.576 1
1 993 . 14 1 1 A 80 80 ASP N N 80 121.227 118.733 2.494 1
1 994 . 14 1 1 A 81 81 VAL H H 81 8.638 9.117 -0.479 1
1 995 . 14 1 1 A 81 81 VAL HA H 81 5.055 5.248 -0.193 1
1 1003 . 14 1 1 A 81 81 VAL C C 81 172.826 174.781 -1.955 1
1 1004 . 14 1 1 A 81 81 VAL CA C 81 57.723 62.178 -4.455 1
1 1005 . 14 1 1 A 81 81 VAL CB C 81 31.767 33.104 -1.337 1
1 1008 . 14 1 1 A 81 81 VAL N N 81 118.946 126.042 -7.096 1
1 1009 . 14 1 1 A 82 82 ILE H H 82 9.007 8.769 0.238 1
1 1010 . 14 1 1 A 82 82 ILE HA H 82 5.789 5.084 0.705 1
1 1020 . 14 1 1 A 82 82 ILE C C 82 170.143 173.273 -3.130 1
1 1021 . 14 1 1 A 82 82 ILE CA C 82 55.824 58.915 -3.091 1
1 1022 . 14 1 1 A 82 82 ILE CB C 82 41.574 41.841 -0.267 1
1 1026 . 14 1 1 A 82 82 ILE N N 82 124.391 129.184 -4.793 1
1 1027 . 14 1 1 A 83 83 GLN H H 83 9.415 8.891 0.524 1
1 1028 . 14 1 1 A 83 83 GLN HA H 83 4.815 4.909 -0.094 1
1 1035 . 14 1 1 A 83 83 GLN C C 83 172.719 174.314 -1.595 1
1 1036 . 14 1 1 A 83 83 GLN CA C 83 52.016 54.596 -2.580 1
1 1037 . 14 1 1 A 83 83 GLN CB C 83 32.094 30.357 1.737 1
1 1039 . 14 1 1 A 83 83 GLN N N 83 127.774 129.183 -1.409 1
1 1041 . 14 1 1 A 84 84 ILE H H 84 8.878 8.579 0.299 1
1 1042 . 14 1 1 A 84 84 ILE HA H 84 4.074 4.398 -0.324 1
1 1052 . 14 1 1 A 84 84 ILE C C 84 173.096 175.314 -2.218 1
1 1053 . 14 1 1 A 84 84 ILE CA C 84 57.372 61.208 -3.836 1
1 1054 . 14 1 1 A 84 84 ILE CB C 84 34.771 37.494 -2.723 1
1 1058 . 14 1 1 A 84 84 ILE N N 84 126.673 126.985 -0.312 1
1 1059 . 14 1 1 A 85 85 VAL H H 85 8.562 8.515 0.047 1
1 1060 . 14 1 1 A 85 85 VAL HA H 85 3.914 4.388 -0.474 1
1 1068 . 14 1 1 A 85 85 VAL C C 85 172.438 174.560 -2.122 1
1 1069 . 14 1 1 A 85 85 VAL CA C 85 60.112 60.726 -0.614 1
1 1070 . 14 1 1 A 85 85 VAL CB C 85 28.964 33.225 -4.261 1
1 1073 . 14 1 1 A 85 85 VAL N N 85 130.400 128.461 1.939 1
1 1074 . 14 1 1 A 86 86 LYS H H 86 8.399 8.626 -0.227 1
1 1075 . 14 1 1 A 86 86 LYS HA H 86 4.640 4.982 -0.342 1
1 1084 . 14 1 1 A 86 86 LYS C C 86 174.388 176.572 -2.184 1
1 1085 . 14 1 1 A 86 86 LYS CA C 86 53.301 54.996 -1.695 1
1 1086 . 14 1 1 A 86 86 LYS CB C 86 32.587 34.202 -1.615 1
1 1090 . 14 1 1 A 86 86 LYS N N 86 126.582 126.679 -0.097 1
1 1091 . 14 1 1 A 87 87 LYS H H 87 8.485 8.628 -0.143 1
1 1092 . 14 1 1 A 87 87 LYS HA H 87 3.923 4.219 -0.296 1
1 1101 . 14 1 1 A 87 87 LYS C C 87 174.196 176.182 -1.986 1
1 1102 . 14 1 1 A 87 87 LYS CA C 87 55.171 56.510 -1.339 1
1 1103 . 14 1 1 A 87 87 LYS CB C 87 31.274 32.972 -1.698 1
1 1107 . 14 1 1 A 87 87 LYS N N 87 119.203 124.113 -4.910 1
1 1108 . 14 1 1 A 89 89 GLY HA2 H 89 4.034 4.351 -0.317 1
1 1109 . 14 1 1 A 89 89 GLY HA3 H 89 4.034 4.352 -0.318 1
1 1110 . 14 1 1 A 89 89 GLY CA C 89 42.366 43.987 -1.621 1
1 1111 . 14 1 1 A 90 90 PRO HA H 90 4.369 4.406 -0.037 1
1 1118 . 14 1 1 A 90 90 PRO CA C 90 61.070 64.362 -3.292 1
1 1119 . 14 1 1 A 90 90 PRO CB C 90 29.818 31.822 -2.004 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.759 4.364 -0.605 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.759 4.389 -0.630 1
1 3 . 15 1 1 A 7 7 GLY C C 7 171.455 174.020 -2.565 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 42.980 44.192 -1.212 1
1 5 . 15 1 1 A 8 8 TYR H H 8 7.813 9.052 -1.239 1
1 6 . 15 1 1 A 8 8 TYR HA H 8 4.391 4.602 -0.211 1
1 13 . 15 1 1 A 8 8 TYR C C 8 173.043 175.348 -2.305 1
1 14 . 15 1 1 A 8 8 TYR CA C 8 55.501 57.795 -2.294 1
1 15 . 15 1 1 A 8 8 TYR CB C 8 36.317 38.707 -2.390 1
1 20 . 15 1 1 A 8 8 TYR N N 8 119.411 117.894 1.517 1
1 21 . 15 1 1 A 9 9 LEU H H 9 7.861 7.475 0.386 1
1 22 . 15 1 1 A 9 9 LEU HA H 9 4.118 4.252 -0.134 1
1 32 . 15 1 1 A 9 9 LEU C C 9 173.714 175.526 -1.812 1
1 33 . 15 1 1 A 9 9 LEU CA C 9 52.544 53.584 -1.040 1
1 34 . 15 1 1 A 9 9 LEU CB C 9 40.106 41.688 -1.582 1
1 38 . 15 1 1 A 9 9 LEU N N 9 123.594 123.195 0.399 1
1 39 . 15 1 1 A 10 10 LYS H H 10 7.976 8.389 -0.413 1
1 40 . 15 1 1 A 10 10 LYS HA H 10 4.108 4.081 0.027 1
1 49 . 15 1 1 A 10 10 LYS C C 10 172.845 175.892 -3.047 1
1 50 . 15 1 1 A 10 10 LYS CA C 10 54.150 56.883 -2.733 1
1 51 . 15 1 1 A 10 10 LYS CB C 10 30.736 32.984 -2.248 1
1 55 . 15 1 1 A 10 10 LYS N N 10 122.047 128.479 -6.432 1
1 56 . 15 1 1 A 11 11 LEU H H 11 8.102 8.468 -0.366 1
1 57 . 15 1 1 A 11 11 LEU HA H 11 4.711 5.020 -0.309 1
1 67 . 15 1 1 A 11 11 LEU C C 11 173.849 175.706 -1.857 1
1 68 . 15 1 1 A 11 11 LEU CA C 11 51.523 53.397 -1.874 1
1 69 . 15 1 1 A 11 11 LEU CB C 11 41.767 43.400 -1.633 1
1 73 . 15 1 1 A 11 11 LEU N N 11 123.872 125.965 -2.093 1
1 74 . 15 1 1 A 12 12 VAL H H 12 8.956 8.923 0.033 1
1 75 . 15 1 1 A 12 12 VAL HA H 12 4.044 4.601 -0.557 1
1 83 . 15 1 1 A 12 12 VAL C C 12 171.356 175.014 -3.658 1
1 84 . 15 1 1 A 12 12 VAL CA C 12 59.549 61.372 -1.823 1
1 85 . 15 1 1 A 12 12 VAL CB C 12 31.500 33.239 -1.739 1
1 88 . 15 1 1 A 12 12 VAL N N 12 122.036 124.862 -2.826 1
1 89 . 15 1 1 A 13 13 ARG H H 13 9.211 9.095 0.116 1
1 90 . 15 1 1 A 13 13 ARG HA H 13 4.434 4.782 -0.348 1
1 98 . 15 1 1 A 13 13 ARG C C 13 171.964 175.423 -3.459 1
1 99 . 15 1 1 A 13 13 ARG CA C 13 52.791 55.896 -3.105 1
1 100 . 15 1 1 A 13 13 ARG CB C 13 29.067 31.009 -1.942 1
1 103 . 15 1 1 A 13 13 ARG N N 13 125.178 126.908 -1.730 1
1 105 . 15 1 1 A 14 14 ILE H H 14 8.811 8.707 0.104 1
1 106 . 15 1 1 A 14 14 ILE HA H 14 4.592 4.846 -0.254 1
1 116 . 15 1 1 A 14 14 ILE C C 14 173.197 174.416 -1.219 1
1 117 . 15 1 1 A 14 14 ILE CA C 14 55.308 60.093 -4.785 1
1 118 . 15 1 1 A 14 14 ILE CB C 14 36.411 41.349 -4.938 1
1 122 . 15 1 1 A 14 14 ILE N N 14 122.061 123.670 -1.609 1
1 123 . 15 1 1 A 15 15 TYR H H 15 8.781 9.240 -0.459 1
1 124 . 15 1 1 A 15 15 TYR HA H 15 5.103 5.076 0.027 1
1 131 . 15 1 1 A 15 15 TYR C C 15 172.764 175.467 -2.703 1
1 132 . 15 1 1 A 15 15 TYR CA C 15 53.740 56.799 -3.059 1
1 133 . 15 1 1 A 15 15 TYR CB C 15 37.340 38.206 -0.866 1
1 138 . 15 1 1 A 15 15 TYR N N 15 125.241 127.128 -1.887 1
1 139 . 15 1 1 A 16 16 THR H H 16 8.961 8.997 -0.036 1
1 140 . 15 1 1 A 16 16 THR HA H 16 4.806 4.576 0.230 1
1 145 . 15 1 1 A 16 16 THR C C 16 171.478 173.345 -1.867 1
1 146 . 15 1 1 A 16 16 THR CA C 16 59.180 63.280 -4.100 1
1 147 . 15 1 1 A 16 16 THR CB C 16 68.174 69.874 -1.700 1
1 149 . 15 1 1 A 16 16 THR N N 16 116.007 121.494 -5.487 1
1 150 . 15 1 1 A 17 17 LYS H H 17 8.397 8.915 -0.518 1
1 151 . 15 1 1 A 17 17 LYS HA H 17 4.446 4.950 -0.504 1
1 160 . 15 1 1 A 17 17 LYS C C 17 170.870 175.017 -4.147 1
1 161 . 15 1 1 A 17 17 LYS CA C 17 50.238 52.635 -2.397 1
1 162 . 15 1 1 A 17 17 LYS CB C 17 32.677 33.984 -1.307 1
1 166 . 15 1 1 A 17 17 LYS N N 17 125.122 128.496 -3.374 1
1 167 . 15 1 1 A 18 18 PRO HA H 18 4.474 4.621 -0.147 1
1 174 . 15 1 1 A 18 18 PRO C C 18 174.170 176.656 -2.486 1
1 175 . 15 1 1 A 18 18 PRO CA C 18 59.250 62.245 -2.995 1
1 176 . 15 1 1 A 18 18 PRO CB C 18 29.517 32.676 -3.159 1
1 179 . 15 1 1 A 19 19 LYS H H 19 8.467 8.368 0.099 1
1 180 . 15 1 1 A 19 19 LYS HA H 19 3.887 4.341 -0.454 1
1 187 . 15 1 1 A 19 19 LYS C C 19 175.944 176.988 -1.044 1
1 188 . 15 1 1 A 19 19 LYS CA C 19 55.732 55.868 -0.136 1
1 189 . 15 1 1 A 19 19 LYS CB C 19 29.818 32.850 -3.032 1
1 193 . 15 1 1 A 19 19 LYS N N 19 121.921 119.063 2.858 1
1 194 . 15 1 1 A 20 20 GLY HA2 H 20 3.958 3.972 -0.014 1
1 195 . 15 1 1 A 20 20 GLY HA3 H 20 3.676 3.973 -0.297 1
1 196 . 15 1 1 A 20 20 GLY C C 20 171.329 174.274 -2.945 1
1 197 . 15 1 1 A 20 20 GLY CA C 20 43.304 45.333 -2.029 1
1 198 . 15 1 1 A 21 21 GLN H H 21 7.553 7.829 -0.276 1
1 199 . 15 1 1 A 21 21 GLN HA H 21 4.581 4.609 -0.028 1
1 206 . 15 1 1 A 21 21 GLN C C 21 172.091 175.319 -3.228 1
1 207 . 15 1 1 A 21 21 GLN CA C 21 51.330 55.002 -3.672 1
1 208 . 15 1 1 A 21 21 GLN CB C 21 29.767 30.448 -0.681 1
1 210 . 15 1 1 A 21 21 GLN N N 21 117.269 120.421 -3.152 1
1 212 . 15 1 1 A 22 22 LEU H H 22 8.048 8.407 -0.359 1
1 213 . 15 1 1 A 22 22 LEU HA H 22 4.292 4.661 -0.369 1
1 223 . 15 1 1 A 22 22 LEU C C 22 171.986 174.610 -2.624 1
1 224 . 15 1 1 A 22 22 LEU CA C 22 50.950 52.817 -1.867 1
1 225 . 15 1 1 A 22 22 LEU CB C 22 38.362 41.386 -3.024 1
1 229 . 15 1 1 A 22 22 LEU N N 22 119.689 121.748 -2.059 1
1 230 . 15 1 1 A 23 23 PRO HA H 23 4.196 4.743 -0.547 1
1 237 . 15 1 1 A 23 23 PRO C C 23 172.331 176.359 -4.028 1
1 238 . 15 1 1 A 23 23 PRO CA C 23 59.882 62.516 -2.634 1
1 239 . 15 1 1 A 23 23 PRO CB C 23 28.948 32.163 -3.215 1
1 242 . 15 1 1 A 24 24 ASP H H 24 8.191 7.932 0.259 1
1 243 . 15 1 1 A 24 24 ASP HA H 24 4.649 4.382 0.267 1
1 246 . 15 1 1 A 24 24 ASP C C 24 175.312 175.229 0.083 1
1 247 . 15 1 1 A 24 24 ASP CA C 24 49.710 54.744 -5.034 1
1 248 . 15 1 1 A 24 24 ASP CB C 24 37.229 41.541 -4.312 1
1 249 . 15 1 1 A 24 24 ASP N N 24 118.307 121.415 -3.108 1
1 250 . 15 1 1 A 25 25 TYR H H 25 8.171 8.787 -0.616 1
1 251 . 15 1 1 A 25 25 TYR HA H 25 4.173 4.892 -0.719 1
1 258 . 15 1 1 A 25 25 TYR C C 25 173.720 176.582 -2.862 1
1 259 . 15 1 1 A 25 25 TYR CA C 25 57.297 58.987 -1.690 1
1 260 . 15 1 1 A 25 25 TYR CB C 25 34.897 40.160 -5.263 1
1 265 . 15 1 1 A 25 25 TYR N N 25 123.576 121.336 2.240 1
1 266 . 15 1 1 A 26 26 THR H H 26 8.278 8.221 0.057 1
1 267 . 15 1 1 A 26 26 THR HA H 26 4.343 4.149 0.194 1
1 272 . 15 1 1 A 26 26 THR C C 26 173.145 174.961 -1.816 1
1 273 . 15 1 1 A 26 26 THR CA C 26 60.799 64.883 -4.084 1
1 274 . 15 1 1 A 26 26 THR CB C 26 67.379 69.060 -1.681 1
1 276 . 15 1 1 A 26 26 THR N N 26 109.145 115.636 -6.491 1
1 277 . 15 1 1 A 27 27 SER H H 27 7.085 7.914 -0.829 1
1 278 . 15 1 1 A 27 27 SER HA H 27 5.002 4.866 0.136 1
1 281 . 15 1 1 A 27 27 SER C C 27 169.729 172.635 -2.906 1
1 282 . 15 1 1 A 27 27 SER CA C 27 52.526 55.936 -3.410 1
1 283 . 15 1 1 A 27 27 SER CB C 27 61.215 63.449 -2.234 1
1 284 . 15 1 1 A 27 27 SER N N 27 114.134 115.444 -1.310 1
1 285 . 15 1 1 A 28 28 PRO HA H 28 4.553 4.719 -0.166 1
1 292 . 15 1 1 A 28 28 PRO C C 28 174.448 175.533 -1.085 1
1 293 . 15 1 1 A 28 28 PRO CA C 28 60.482 62.285 -1.803 1
1 294 . 15 1 1 A 28 28 PRO CB C 28 29.224 33.002 -3.778 1
1 297 . 15 1 1 A 29 29 VAL H H 29 9.191 8.244 0.947 1
1 298 . 15 1 1 A 29 29 VAL HA H 29 3.946 4.581 -0.635 1
1 306 . 15 1 1 A 29 29 VAL C C 29 172.641 174.041 -1.400 1
1 307 . 15 1 1 A 29 29 VAL CA C 29 60.367 60.386 -0.019 1
1 308 . 15 1 1 A 29 29 VAL CB C 29 30.546 34.316 -3.770 1
1 311 . 15 1 1 A 29 29 VAL N N 29 123.735 120.643 3.092 1
1 312 . 15 1 1 A 30 30 VAL H H 30 8.169 9.070 -0.901 1
1 313 . 15 1 1 A 30 30 VAL HA H 30 4.940 4.584 0.356 1
1 321 . 15 1 1 A 30 30 VAL C C 30 173.560 175.142 -1.582 1
1 322 . 15 1 1 A 30 30 VAL CA C 30 58.568 61.461 -2.893 1
1 323 . 15 1 1 A 30 30 VAL CB C 30 30.303 31.864 -1.561 1
1 326 . 15 1 1 A 30 30 VAL N N 30 125.255 129.812 -4.557 1
1 327 . 15 1 1 A 31 31 LEU H H 31 8.889 8.582 0.307 1
1 328 . 15 1 1 A 31 31 LEU HA H 31 4.816 4.747 0.069 1
1 338 . 15 1 1 A 31 31 LEU C C 31 171.113 174.743 -3.630 1
1 339 . 15 1 1 A 31 31 LEU CA C 31 48.760 51.601 -2.841 1
1 340 . 15 1 1 A 31 31 LEU CB C 31 40.938 43.609 -2.671 1
1 344 . 15 1 1 A 31 31 LEU N N 31 127.017 128.312 -1.295 1
1 345 . 15 1 1 A 32 32 PRO HA H 32 4.531 4.690 -0.159 1
1 352 . 15 1 1 A 32 32 PRO C C 32 174.294 177.584 -3.290 1
1 353 . 15 1 1 A 32 32 PRO CA C 32 59.648 62.779 -3.131 1
1 354 . 15 1 1 A 32 32 PRO CB C 32 29.349 31.684 -2.335 1
1 357 . 15 1 1 A 33 33 TYR H H 33 8.105 8.521 -0.416 1
1 358 . 15 1 1 A 33 33 TYR HA H 33 3.788 3.947 -0.159 1
1 365 . 15 1 1 A 33 33 TYR C C 33 173.470 177.232 -3.762 1
1 366 . 15 1 1 A 33 33 TYR CA C 33 58.159 62.296 -4.137 1
1 367 . 15 1 1 A 33 33 TYR CB C 33 36.244 39.010 -2.766 1
1 372 . 15 1 1 A 33 33 TYR N N 33 120.060 126.336 -6.276 1
1 373 . 15 1 1 A 34 34 SER H H 34 7.868 8.392 -0.524 1
1 374 . 15 1 1 A 34 34 SER HA H 34 3.814 4.298 -0.484 1
1 377 . 15 1 1 A 34 34 SER C C 34 171.946 174.736 -2.790 1
1 378 . 15 1 1 A 34 34 SER CA C 34 58.212 61.477 -3.265 1
1 379 . 15 1 1 A 34 34 SER CB C 34 60.928 62.850 -1.922 1
1 380 . 15 1 1 A 34 34 SER N N 34 116.733 113.866 2.867 1
1 381 . 15 1 1 A 35 35 ARG H H 35 7.883 8.198 -0.315 1
1 382 . 15 1 1 A 35 35 ARG HA H 35 4.575 4.625 -0.050 1
1 389 . 15 1 1 A 35 35 ARG C C 35 172.091 174.660 -2.569 1
1 390 . 15 1 1 A 35 35 ARG CA C 35 52.067 54.905 -2.838 1
1 391 . 15 1 1 A 35 35 ARG CB C 35 28.228 31.523 -3.295 1
1 394 . 15 1 1 A 35 35 ARG N N 35 125.492 119.558 5.934 1
1 395 . 15 1 1 A 36 36 THR H H 36 7.874 8.622 -0.748 1
1 396 . 15 1 1 A 36 36 THR HA H 36 4.613 5.282 -0.669 1
1 401 . 15 1 1 A 36 36 THR C C 36 173.095 173.351 -0.256 1
1 402 . 15 1 1 A 36 36 THR CA C 36 57.029 60.502 -3.473 1
1 403 . 15 1 1 A 36 36 THR CB C 36 66.113 70.784 -4.671 1
1 405 . 15 1 1 A 36 36 THR N N 36 107.510 114.813 -7.303 1
1 406 . 15 1 1 A 37 37 THR H H 37 8.804 8.482 0.322 1
1 407 . 15 1 1 A 37 37 THR HA H 37 5.288 4.620 0.668 1
1 412 . 15 1 1 A 37 37 THR C C 37 174.234 174.432 -0.198 1
1 413 . 15 1 1 A 37 37 THR CA C 37 59.681 60.530 -0.849 1
1 414 . 15 1 1 A 37 37 THR CB C 37 70.032 70.728 -0.696 1
1 416 . 15 1 1 A 37 37 THR N N 37 112.714 116.792 -4.078 1
1 417 . 15 1 1 A 38 38 VAL H H 38 8.269 8.913 -0.644 1
1 418 . 15 1 1 A 38 38 VAL HA H 38 3.485 3.614 -0.129 1
1 426 . 15 1 1 A 38 38 VAL C C 38 175.909 177.328 -1.419 1
1 427 . 15 1 1 A 38 38 VAL CA C 38 64.496 66.819 -2.323 1
1 428 . 15 1 1 A 38 38 VAL CB C 38 29.015 31.365 -2.350 1
1 431 . 15 1 1 A 38 38 VAL N N 38 121.372 122.491 -1.119 1
1 432 . 15 1 1 A 39 39 GLU H H 39 8.597 7.883 0.714 1
1 433 . 15 1 1 A 39 39 GLU HA H 39 3.495 3.883 -0.388 1
1 438 . 15 1 1 A 39 39 GLU C C 39 174.769 178.632 -3.863 1
1 439 . 15 1 1 A 39 39 GLU CA C 39 58.418 59.100 -0.682 1
1 440 . 15 1 1 A 39 39 GLU CB C 39 27.358 29.259 -1.901 1
1 442 . 15 1 1 A 39 39 GLU N N 39 121.954 119.148 2.806 1
1 443 . 15 1 1 A 40 40 ASP H H 40 7.493 8.193 -0.700 1
1 444 . 15 1 1 A 40 40 ASP HA H 40 4.071 4.221 -0.150 1
1 447 . 15 1 1 A 40 40 ASP C C 40 176.738 179.155 -2.417 1
1 448 . 15 1 1 A 40 40 ASP CA C 40 55.877 57.525 -1.648 1
1 449 . 15 1 1 A 40 40 ASP CB C 40 38.721 40.397 -1.676 1
1 450 . 15 1 1 A 40 40 ASP N N 40 119.054 120.166 -1.112 1
1 451 . 15 1 1 A 41 41 PHE H H 41 8.429 8.238 0.191 1
1 452 . 15 1 1 A 41 41 PHE HA H 41 3.750 4.110 -0.360 1
1 460 . 15 1 1 A 41 41 PHE C C 41 173.786 176.928 -3.142 1
1 461 . 15 1 1 A 41 41 PHE CA C 41 59.851 61.191 -1.340 1
1 462 . 15 1 1 A 41 41 PHE CB C 41 36.135 38.896 -2.761 1
1 468 . 15 1 1 A 41 41 PHE N N 41 121.017 121.347 -0.330 1
1 469 . 15 1 1 A 42 42 CYS H H 42 8.527 8.068 0.459 1
1 470 . 15 1 1 A 42 42 CYS HA H 42 3.752 4.277 -0.525 1
1 473 . 15 1 1 A 42 42 CYS C C 42 174.065 177.787 -3.722 1
1 474 . 15 1 1 A 42 42 CYS CA C 42 62.453 62.476 -0.023 1
1 475 . 15 1 1 A 42 42 CYS CB C 42 24.429 27.047 -2.618 1
1 476 . 15 1 1 A 42 42 CYS N N 42 116.390 116.903 -0.513 1
1 477 . 15 1 1 A 43 43 MET H H 43 7.739 7.914 -0.175 1
1 478 . 15 1 1 A 43 43 MET HA H 43 3.885 4.195 -0.310 1
1 486 . 15 1 1 A 43 43 MET C C 43 175.345 178.572 -3.227 1
1 487 . 15 1 1 A 43 43 MET CA C 43 54.460 57.887 -3.427 1
1 488 . 15 1 1 A 43 43 MET CB C 43 28.872 32.649 -3.777 1
1 491 . 15 1 1 A 43 43 MET N N 43 114.377 119.470 -5.093 1
1 492 . 15 1 1 A 44 44 LYS H H 44 7.257 7.835 -0.578 1
1 493 . 15 1 1 A 44 44 LYS HA H 44 3.896 3.920 -0.024 1
1 502 . 15 1 1 A 44 44 LYS C C 44 175.198 178.690 -3.492 1
1 503 . 15 1 1 A 44 44 LYS CA C 44 54.181 58.730 -4.549 1
1 504 . 15 1 1 A 44 44 LYS CB C 44 29.291 32.098 -2.807 1
1 508 . 15 1 1 A 44 44 LYS N N 44 117.480 118.543 -1.063 1
1 509 . 15 1 1 A 45 45 ILE H H 45 7.146 7.391 -0.245 1
1 510 . 15 1 1 A 45 45 ILE HA H 45 3.697 3.933 -0.236 1
1 520 . 15 1 1 A 45 45 ILE C C 45 174.894 176.187 -1.293 1
1 521 . 15 1 1 A 45 45 ILE CA C 45 59.954 63.829 -3.875 1
1 522 . 15 1 1 A 45 45 ILE CB C 45 33.943 38.640 -4.697 1
1 526 . 15 1 1 A 45 45 ILE N N 45 119.267 117.365 1.902 1
1 527 . 15 1 1 A 46 46 HIS H H 46 7.982 7.883 0.099 1
1 528 . 15 1 1 A 46 46 HIS HA H 46 4.200 4.803 -0.603 1
1 533 . 15 1 1 A 46 46 HIS C C 46 173.349 175.082 -1.733 1
1 534 . 15 1 1 A 46 46 HIS CA C 46 56.363 55.800 0.563 1
1 535 . 15 1 1 A 46 46 HIS CB C 46 30.998 32.417 -1.419 1
1 538 . 15 1 1 A 46 46 HIS N N 46 116.498 117.396 -0.898 1
1 539 . 15 1 1 A 47 47 LYS H H 47 8.478 8.654 -0.176 1
1 540 . 15 1 1 A 47 47 LYS HA H 47 4.091 3.909 0.182 1
1 545 . 15 1 1 A 47 47 LYS C C 47 174.519 177.318 -2.799 1
1 546 . 15 1 1 A 47 47 LYS CA C 47 57.279 59.464 -2.185 1
1 547 . 15 1 1 A 47 47 LYS CB C 47 29.709 32.103 -2.394 1
1 551 . 15 1 1 A 47 47 LYS N N 47 127.686 126.047 1.639 1
1 552 . 15 1 1 A 48 48 ASN H H 48 10.623 7.623 3.000 1
1 553 . 15 1 1 A 48 48 ASN HA H 48 4.839 5.170 -0.331 1
1 558 . 15 1 1 A 48 48 ASN C C 48 175.138 175.887 -0.749 1
1 559 . 15 1 1 A 48 48 ASN CA C 48 50.960 52.818 -1.858 1
1 560 . 15 1 1 A 48 48 ASN CB C 48 36.975 39.315 -2.340 1
1 561 . 15 1 1 A 48 48 ASN N N 48 118.711 114.773 3.938 1
1 563 . 15 1 1 A 49 49 LEU H H 49 7.796 7.868 -0.072 1
1 564 . 15 1 1 A 49 49 LEU HA H 49 4.103 4.322 -0.219 1
1 574 . 15 1 1 A 49 49 LEU C C 49 176.976 178.218 -1.242 1
1 575 . 15 1 1 A 49 49 LEU CA C 49 56.381 57.172 -0.791 1
1 576 . 15 1 1 A 49 49 LEU CB C 49 39.064 42.913 -3.849 1
1 580 . 15 1 1 A 49 49 LEU N N 49 124.676 120.836 3.840 1
1 581 . 15 1 1 A 50 50 ILE H H 50 9.052 8.040 1.012 1
1 582 . 15 1 1 A 50 50 ILE HA H 50 4.060 3.821 0.239 1
1 592 . 15 1 1 A 50 50 ILE C C 50 173.983 177.862 -3.879 1
1 593 . 15 1 1 A 50 50 ILE CA C 50 57.842 63.852 -6.010 1
1 594 . 15 1 1 A 50 50 ILE CB C 50 35.943 37.867 -1.924 1
1 598 . 15 1 1 A 50 50 ILE N N 50 116.565 119.375 -2.810 1
1 599 . 15 1 1 A 51 51 LYS H H 51 7.275 8.088 -0.813 1
1 600 . 15 1 1 A 51 51 LYS HA H 51 4.143 4.078 0.065 1
1 609 . 15 1 1 A 51 51 LYS C C 51 175.668 178.859 -3.191 1
1 610 . 15 1 1 A 51 51 LYS CA C 51 55.696 59.972 -4.276 1
1 611 . 15 1 1 A 51 51 LYS CB C 51 29.767 32.081 -2.314 1
1 615 . 15 1 1 A 51 51 LYS N N 51 119.864 122.550 -2.686 1
1 616 . 15 1 1 A 52 52 GLU H H 52 7.590 8.023 -0.433 1
1 617 . 15 1 1 A 52 52 GLU HA H 52 4.319 4.335 -0.016 1
1 622 . 15 1 1 A 52 52 GLU C C 52 173.088 176.743 -3.655 1
1 623 . 15 1 1 A 52 52 GLU CA C 52 53.301 58.082 -4.781 1
1 624 . 15 1 1 A 52 52 GLU CB C 52 28.778 30.485 -1.707 1
1 626 . 15 1 1 A 52 52 GLU N N 52 116.453 117.003 -0.550 1
1 627 . 15 1 1 A 53 53 PHE H H 53 7.423 8.170 -0.747 1
1 628 . 15 1 1 A 53 53 PHE HA H 53 3.608 4.366 -0.758 1
1 636 . 15 1 1 A 53 53 PHE C C 53 170.946 175.408 -4.462 1
1 637 . 15 1 1 A 53 53 PHE CA C 53 57.983 59.726 -1.743 1
1 638 . 15 1 1 A 53 53 PHE CB C 53 38.913 39.777 -0.864 1
1 644 . 15 1 1 A 53 53 PHE N N 53 120.950 121.694 -0.744 1
1 645 . 15 1 1 A 54 54 LYS H H 54 8.385 8.842 -0.457 1
1 646 . 15 1 1 A 54 54 LYS HA H 54 4.268 4.261 0.007 1
1 655 . 15 1 1 A 54 54 LYS C C 54 173.038 175.169 -2.131 1
1 656 . 15 1 1 A 54 54 LYS CA C 54 55.263 57.168 -1.905 1
1 657 . 15 1 1 A 54 54 LYS CB C 54 32.730 35.060 -2.330 1
1 661 . 15 1 1 A 54 54 LYS N N 54 128.686 126.310 2.376 1
1 662 . 15 1 1 A 55 55 TYR H H 55 7.083 6.818 0.265 1
1 663 . 15 1 1 A 55 55 TYR HA H 55 4.120 4.726 -0.606 1
1 670 . 15 1 1 A 55 55 TYR C C 55 168.503 173.175 -4.672 1
1 671 . 15 1 1 A 55 55 TYR CA C 55 55.198 56.195 -0.997 1
1 672 . 15 1 1 A 55 55 TYR CB C 55 35.633 40.087 -4.454 1
1 677 . 15 1 1 A 55 55 TYR N N 55 110.963 113.049 -2.086 1
1 678 . 15 1 1 A 56 56 ALA H H 56 8.836 8.398 0.438 1
1 679 . 15 1 1 A 56 56 ALA HA H 56 5.293 5.361 -0.068 1
1 683 . 15 1 1 A 56 56 ALA C C 56 172.993 175.873 -2.880 1
1 684 . 15 1 1 A 56 56 ALA CA C 56 47.088 50.728 -3.640 1
1 685 . 15 1 1 A 56 56 ALA CB C 56 20.287 22.866 -2.579 1
1 686 . 15 1 1 A 56 56 ALA N N 56 118.379 122.011 -3.632 1
1 687 . 15 1 1 A 57 57 LEU H H 57 8.880 8.360 0.520 1
1 688 . 15 1 1 A 57 57 LEU HA H 57 4.854 4.697 0.157 1
1 698 . 15 1 1 A 57 57 LEU C C 57 172.904 175.165 -2.261 1
1 699 . 15 1 1 A 57 57 LEU CA C 57 50.872 53.205 -2.333 1
1 700 . 15 1 1 A 57 57 LEU CB C 57 42.160 41.964 0.196 1
1 704 . 15 1 1 A 57 57 LEU N N 57 121.382 122.292 -0.910 1
1 705 . 15 1 1 A 58 58 VAL H H 58 8.123 7.926 0.197 1
1 706 . 15 1 1 A 58 58 VAL HA H 58 5.243 4.791 0.452 1
1 714 . 15 1 1 A 58 58 VAL C C 58 171.929 174.987 -3.058 1
1 715 . 15 1 1 A 58 58 VAL CA C 58 57.683 61.580 -3.897 1
1 716 . 15 1 1 A 58 58 VAL CB C 58 33.036 32.179 0.857 1
1 719 . 15 1 1 A 58 58 VAL N N 58 120.400 124.993 -4.593 1
1 720 . 15 1 1 A 59 59 TRP H H 59 9.316 9.006 0.310 1
1 721 . 15 1 1 A 59 59 TRP HA H 59 4.843 5.221 -0.378 1
1 730 . 15 1 1 A 59 59 TRP C C 59 173.582 176.703 -3.121 1
1 731 . 15 1 1 A 59 59 TRP CA C 59 54.736 55.054 -0.318 1
1 732 . 15 1 1 A 59 59 TRP CB C 59 30.514 30.934 -0.420 1
1 738 . 15 1 1 A 59 59 TRP N N 59 127.196 127.498 -0.302 1
1 740 . 15 1 1 A 60 60 GLY H H 60 8.531 8.259 0.272 1
1 741 . 15 1 1 A 60 60 GLY HA2 H 60 4.934 4.322 0.612 1
1 742 . 15 1 1 A 60 60 GLY HA3 H 60 4.123 4.323 -0.200 1
1 743 . 15 1 1 A 60 60 GLY C C 60 171.378 174.579 -3.201 1
1 744 . 15 1 1 A 60 60 GLY CA C 60 42.587 45.949 -3.362 1
1 745 . 15 1 1 A 60 60 GLY N N 60 110.481 110.462 0.019 1
1 746 . 15 1 1 A 61 61 LEU H H 61 8.188 8.945 -0.757 1
1 747 . 15 1 1 A 61 61 LEU HA H 61 4.141 3.979 0.162 1
1 757 . 15 1 1 A 61 61 LEU C C 61 176.897 178.635 -1.738 1
1 758 . 15 1 1 A 61 61 LEU CA C 61 54.357 57.664 -3.307 1
1 759 . 15 1 1 A 61 61 LEU CB C 61 39.942 41.501 -1.559 1
1 763 . 15 1 1 A 61 61 LEU N N 61 118.667 121.546 -2.879 1
1 764 . 15 1 1 A 62 62 SER H H 62 8.123 8.223 -0.100 1
1 765 . 15 1 1 A 62 62 SER HA H 62 4.284 4.238 0.046 1
1 768 . 15 1 1 A 62 62 SER C C 62 171.932 174.905 -2.973 1
1 769 . 15 1 1 A 62 62 SER CA C 62 57.279 61.593 -4.314 1
1 770 . 15 1 1 A 62 62 SER CB C 62 60.354 62.877 -2.523 1
1 771 . 15 1 1 A 62 62 SER N N 62 110.946 113.125 -2.179 1
1 772 . 15 1 1 A 63 63 VAL H H 63 7.174 8.087 -0.913 1
1 773 . 15 1 1 A 63 63 VAL HA H 63 4.503 4.438 0.065 1
1 781 . 15 1 1 A 63 63 VAL C C 63 173.221 175.975 -2.754 1
1 782 . 15 1 1 A 63 63 VAL CA C 63 57.573 59.797 -2.224 1
1 783 . 15 1 1 A 63 63 VAL CB C 63 31.826 33.997 -2.171 1
1 786 . 15 1 1 A 63 63 VAL N N 63 114.625 117.616 -2.991 1
1 787 . 15 1 1 A 64 64 LYS H H 64 8.112 8.572 -0.460 1
1 788 . 15 1 1 A 64 64 LYS HA H 64 4.105 4.211 -0.106 1
1 796 . 15 1 1 A 64 64 LYS C C 64 174.259 176.865 -2.606 1
1 797 . 15 1 1 A 64 64 LYS CA C 64 54.586 57.876 -3.290 1
1 798 . 15 1 1 A 64 64 LYS CB C 64 30.837 32.828 -1.991 1
1 802 . 15 1 1 A 64 64 LYS N N 64 119.722 123.151 -3.429 1
1 803 . 15 1 1 A 65 65 HIS H H 65 7.496 7.694 -0.198 1
1 804 . 15 1 1 A 65 65 HIS HA H 65 4.497 5.191 -0.694 1
1 809 . 15 1 1 A 65 65 HIS C C 65 170.028 174.334 -4.306 1
1 810 . 15 1 1 A 65 65 HIS CA C 65 52.491 54.495 -2.004 1
1 811 . 15 1 1 A 65 65 HIS CB C 65 29.149 31.723 -2.574 1
1 814 . 15 1 1 A 65 65 HIS N N 65 117.336 115.850 1.486 1
1 815 . 15 1 1 A 66 66 ASN H H 66 8.135 9.134 -0.999 1
1 816 . 15 1 1 A 66 66 ASN HA H 66 4.986 5.168 -0.182 1
1 821 . 15 1 1 A 66 66 ASN C C 66 171.088 173.411 -2.323 1
1 822 . 15 1 1 A 66 66 ASN CA C 66 47.732 50.633 -2.901 1
1 823 . 15 1 1 A 66 66 ASN CB C 66 39.365 39.669 -0.304 1
1 824 . 15 1 1 A 66 66 ASN N N 66 118.616 122.202 -3.586 1
1 826 . 15 1 1 A 67 67 PRO HA H 67 4.408 4.163 0.245 1
1 833 . 15 1 1 A 67 67 PRO C C 67 173.325 175.319 -1.994 1
1 834 . 15 1 1 A 67 67 PRO CA C 67 60.535 62.624 -2.089 1
1 835 . 15 1 1 A 67 67 PRO CB C 67 31.065 32.477 -1.412 1
1 838 . 15 1 1 A 68 68 GLN H H 68 8.323 7.695 0.628 1
1 839 . 15 1 1 A 68 68 GLN HA H 68 4.295 4.635 -0.340 1
1 846 . 15 1 1 A 68 68 GLN C C 68 172.005 174.656 -2.651 1
1 847 . 15 1 1 A 68 68 GLN CA C 68 51.805 54.763 -2.958 1
1 848 . 15 1 1 A 68 68 GLN CB C 68 30.014 31.799 -1.785 1
1 850 . 15 1 1 A 68 68 GLN N N 68 118.089 121.487 -3.398 1
1 852 . 15 1 1 A 69 69 LYS H H 69 8.268 8.651 -0.383 1
1 853 . 15 1 1 A 69 69 LYS HA H 69 4.907 4.592 0.315 1
1 862 . 15 1 1 A 69 69 LYS C C 69 174.226 176.387 -2.161 1
1 863 . 15 1 1 A 69 69 LYS CA C 69 53.598 56.451 -2.853 1
1 864 . 15 1 1 A 69 69 LYS CB C 69 30.096 33.101 -3.005 1
1 868 . 15 1 1 A 69 69 LYS N N 69 125.766 127.766 -2.000 1
1 869 . 15 1 1 A 70 70 VAL H H 70 9.409 8.576 0.833 1
1 870 . 15 1 1 A 70 70 VAL HA H 70 4.723 4.967 -0.244 1
1 878 . 15 1 1 A 70 70 VAL C C 70 172.498 175.605 -3.107 1
1 879 . 15 1 1 A 70 70 VAL CA C 70 56.680 59.365 -2.685 1
1 880 . 15 1 1 A 70 70 VAL CB C 70 33.332 35.252 -1.920 1
1 883 . 15 1 1 A 70 70 VAL N N 70 120.660 119.497 1.163 1
1 884 . 15 1 1 A 71 71 GLY H H 71 8.445 8.627 -0.182 1
1 885 . 15 1 1 A 71 71 GLY HA2 H 71 4.961 4.253 0.708 1
1 886 . 15 1 1 A 71 71 GLY HA3 H 71 3.898 4.351 -0.453 1
1 887 . 15 1 1 A 71 71 GLY C C 71 172.669 174.874 -2.205 1
1 888 . 15 1 1 A 71 71 GLY CA C 71 40.896 44.572 -3.676 1
1 889 . 15 1 1 A 71 71 GLY N N 71 106.755 109.796 -3.041 1
1 890 . 15 1 1 A 72 72 LYS H H 72 8.573 8.836 -0.263 1
1 891 . 15 1 1 A 72 72 LYS HA H 72 3.454 3.963 -0.509 1
1 900 . 15 1 1 A 72 72 LYS C C 72 172.853 178.762 -5.909 1
1 901 . 15 1 1 A 72 72 LYS CA C 72 56.108 58.626 -2.518 1
1 902 . 15 1 1 A 72 72 LYS CB C 72 29.993 32.637 -2.644 1
1 906 . 15 1 1 A 72 72 LYS N N 72 114.685 118.155 -3.470 1
1 907 . 15 1 1 A 73 73 ASP H H 73 8.517 8.126 0.391 1
1 908 . 15 1 1 A 73 73 ASP HA H 73 4.543 4.395 0.148 1
1 911 . 15 1 1 A 73 73 ASP C C 73 173.041 177.047 -4.006 1
1 912 . 15 1 1 A 73 73 ASP CA C 73 51.118 56.486 -5.368 1
1 913 . 15 1 1 A 73 73 ASP CB C 73 38.311 41.044 -2.733 1
1 914 . 15 1 1 A 73 73 ASP N N 73 115.449 120.401 -4.952 1
1 915 . 15 1 1 A 74 74 HIS H H 74 7.173 7.572 -0.399 1
1 916 . 15 1 1 A 74 74 HIS HA H 74 4.084 4.314 -0.230 1
1 921 . 15 1 1 A 74 74 HIS C C 74 172.466 174.953 -2.487 1
1 922 . 15 1 1 A 74 74 HIS CA C 74 55.483 57.735 -2.252 1
1 923 . 15 1 1 A 74 74 HIS CB C 74 29.868 30.468 -0.600 1
1 926 . 15 1 1 A 74 74 HIS N N 74 120.387 119.584 0.803 1
1 927 . 15 1 1 A 75 75 THR H H 75 7.573 8.342 -0.769 1
1 928 . 15 1 1 A 75 75 THR HA H 75 3.562 4.270 -0.708 1
1 933 . 15 1 1 A 75 75 THR C C 75 170.555 173.987 -3.432 1
1 934 . 15 1 1 A 75 75 THR CA C 75 61.656 62.306 -0.650 1
1 935 . 15 1 1 A 75 75 THR CB C 75 66.449 69.838 -3.389 1
1 937 . 15 1 1 A 75 75 THR N N 75 123.519 120.886 2.633 1
1 938 . 15 1 1 A 76 76 LEU H H 76 8.300 8.491 -0.191 1
1 939 . 15 1 1 A 76 76 LEU HA H 76 4.187 4.809 -0.622 1
1 949 . 15 1 1 A 76 76 LEU C C 76 174.153 176.212 -2.059 1
1 950 . 15 1 1 A 76 76 LEU CA C 76 52.201 53.457 -1.256 1
1 951 . 15 1 1 A 76 76 LEU CB C 76 40.188 43.599 -3.411 1
1 955 . 15 1 1 A 76 76 LEU N N 76 127.705 126.619 1.086 1
1 956 . 15 1 1 A 77 77 GLU H H 77 9.006 8.786 0.220 1
1 957 . 15 1 1 A 77 77 GLU HA H 77 4.295 4.849 -0.554 1
1 962 . 15 1 1 A 77 77 GLU C C 77 172.035 175.450 -3.415 1
1 963 . 15 1 1 A 77 77 GLU CA C 77 51.734 54.552 -2.818 1
1 964 . 15 1 1 A 77 77 GLU CB C 77 30.671 33.001 -2.330 1
1 966 . 15 1 1 A 77 77 GLU N N 77 120.330 121.147 -0.817 1
1 967 . 15 1 1 A 78 78 ASP H H 78 8.375 8.734 -0.359 1
1 968 . 15 1 1 A 78 78 ASP HA H 78 4.289 4.366 -0.077 1
1 971 . 15 1 1 A 78 78 ASP C C 78 174.522 176.998 -2.476 1
1 972 . 15 1 1 A 78 78 ASP CA C 78 54.779 54.588 0.191 1
1 973 . 15 1 1 A 78 78 ASP CB C 78 39.200 41.670 -2.470 1
1 974 . 15 1 1 A 78 78 ASP N N 78 116.751 122.318 -5.567 1
1 975 . 15 1 1 A 79 79 GLU H H 79 9.867 8.808 1.059 1
1 976 . 15 1 1 A 79 79 GLU HA H 79 3.685 3.891 -0.206 1
1 981 . 15 1 1 A 79 79 GLU C C 79 172.755 174.828 -2.073 1
1 982 . 15 1 1 A 79 79 GLU CA C 79 57.384 57.414 -0.030 1
1 983 . 15 1 1 A 79 79 GLU CB C 79 24.429 28.004 -3.575 1
1 985 . 15 1 1 A 79 79 GLU N N 79 119.409 119.578 -0.169 1
1 986 . 15 1 1 A 80 80 ASP H H 80 8.212 7.339 0.873 1
1 987 . 15 1 1 A 80 80 ASP HA H 80 4.833 5.327 -0.494 1
1 990 . 15 1 1 A 80 80 ASP C C 80 171.935 174.767 -2.832 1
1 991 . 15 1 1 A 80 80 ASP CA C 80 53.900 53.162 0.738 1
1 992 . 15 1 1 A 80 80 ASP CB C 80 39.633 43.976 -4.343 1
1 993 . 15 1 1 A 80 80 ASP N N 80 121.227 117.681 3.546 1
1 994 . 15 1 1 A 81 81 VAL H H 81 8.638 9.023 -0.385 1
1 995 . 15 1 1 A 81 81 VAL HA H 81 5.055 5.338 -0.283 1
1 1003 . 15 1 1 A 81 81 VAL C C 81 172.826 175.023 -2.197 1
1 1004 . 15 1 1 A 81 81 VAL CA C 81 57.723 61.947 -4.224 1
1 1005 . 15 1 1 A 81 81 VAL CB C 81 31.767 33.285 -1.518 1
1 1008 . 15 1 1 A 81 81 VAL N N 81 118.946 122.932 -3.986 1
1 1009 . 15 1 1 A 82 82 ILE H H 82 9.007 8.802 0.205 1
1 1010 . 15 1 1 A 82 82 ILE HA H 82 5.789 5.159 0.630 1
1 1020 . 15 1 1 A 82 82 ILE C C 82 170.143 173.237 -3.094 1
1 1021 . 15 1 1 A 82 82 ILE CA C 82 55.824 59.171 -3.347 1
1 1022 . 15 1 1 A 82 82 ILE CB C 82 41.574 42.282 -0.708 1
1 1026 . 15 1 1 A 82 82 ILE N N 82 124.391 128.953 -4.562 1
1 1027 . 15 1 1 A 83 83 GLN H H 83 9.415 8.896 0.519 1
1 1028 . 15 1 1 A 83 83 GLN HA H 83 4.815 4.916 -0.101 1
1 1035 . 15 1 1 A 83 83 GLN C C 83 172.719 174.384 -1.665 1
1 1036 . 15 1 1 A 83 83 GLN CA C 83 52.016 54.663 -2.647 1
1 1037 . 15 1 1 A 83 83 GLN CB C 83 32.094 30.449 1.645 1
1 1039 . 15 1 1 A 83 83 GLN N N 83 127.774 128.252 -0.478 1
1 1041 . 15 1 1 A 84 84 ILE H H 84 8.878 8.572 0.306 1
1 1042 . 15 1 1 A 84 84 ILE HA H 84 4.074 4.365 -0.291 1
1 1052 . 15 1 1 A 84 84 ILE C C 84 173.096 175.330 -2.234 1
1 1053 . 15 1 1 A 84 84 ILE CA C 84 57.372 61.512 -4.140 1
1 1054 . 15 1 1 A 84 84 ILE CB C 84 34.771 37.480 -2.709 1
1 1058 . 15 1 1 A 84 84 ILE N N 84 126.673 126.782 -0.109 1
1 1059 . 15 1 1 A 85 85 VAL H H 85 8.562 8.722 -0.160 1
1 1060 . 15 1 1 A 85 85 VAL HA H 85 3.914 4.426 -0.512 1
1 1068 . 15 1 1 A 85 85 VAL C C 85 172.438 174.860 -2.422 1
1 1069 . 15 1 1 A 85 85 VAL CA C 85 60.112 60.788 -0.676 1
1 1070 . 15 1 1 A 85 85 VAL CB C 85 28.964 33.410 -4.446 1
1 1073 . 15 1 1 A 85 85 VAL N N 85 130.400 128.471 1.929 1
1 1074 . 15 1 1 A 86 86 LYS H H 86 8.399 8.865 -0.466 1
1 1075 . 15 1 1 A 86 86 LYS HA H 86 4.640 4.452 0.188 1
1 1084 . 15 1 1 A 86 86 LYS C C 86 174.388 178.245 -3.857 1
1 1085 . 15 1 1 A 86 86 LYS CA C 86 53.301 55.175 -1.874 1
1 1086 . 15 1 1 A 86 86 LYS CB C 86 32.587 33.549 -0.962 1
1 1090 . 15 1 1 A 86 86 LYS N N 86 126.582 126.905 -0.323 1
1 1091 . 15 1 1 A 87 87 LYS H H 87 8.485 8.960 -0.475 1
1 1092 . 15 1 1 A 87 87 LYS HA H 87 3.923 4.104 -0.181 1
1 1101 . 15 1 1 A 87 87 LYS C C 87 174.196 176.355 -2.159 1
1 1102 . 15 1 1 A 87 87 LYS CA C 87 55.171 58.952 -3.781 1
1 1103 . 15 1 1 A 87 87 LYS CB C 87 31.274 33.110 -1.836 1
1 1107 . 15 1 1 A 87 87 LYS N N 87 119.203 123.299 -4.096 1
1 1108 . 15 1 1 A 89 89 GLY HA2 H 89 4.034 4.233 -0.199 1
1 1109 . 15 1 1 A 89 89 GLY HA3 H 89 4.034 4.236 -0.202 1
1 1110 . 15 1 1 A 89 89 GLY CA C 89 42.366 45.610 -3.244 1
1 1111 . 15 1 1 A 90 90 PRO HA H 90 4.369 4.626 -0.257 1
1 1118 . 15 1 1 A 90 90 PRO CA C 90 61.070 62.641 -1.571 1
1 1119 . 15 1 1 A 90 90 PRO CB C 90 29.818 32.012 -2.194 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.759 4.079 -0.320 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.759 4.096 -0.337 1
1 3 . 16 1 1 A 7 7 GLY C C 7 171.455 173.574 -2.119 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 42.980 44.230 -1.250 1
1 5 . 16 1 1 A 8 8 TYR H H 8 7.813 8.651 -0.838 1
1 6 . 16 1 1 A 8 8 TYR HA H 8 4.391 4.555 -0.164 1
1 13 . 16 1 1 A 8 8 TYR C C 8 173.043 175.610 -2.567 1
1 14 . 16 1 1 A 8 8 TYR CA C 8 55.501 59.226 -3.725 1
1 15 . 16 1 1 A 8 8 TYR CB C 8 36.317 39.074 -2.757 1
1 20 . 16 1 1 A 8 8 TYR N N 8 119.411 121.117 -1.706 1
1 21 . 16 1 1 A 9 9 LEU H H 9 7.861 7.368 0.493 1
1 22 . 16 1 1 A 9 9 LEU HA H 9 4.118 4.303 -0.185 1
1 32 . 16 1 1 A 9 9 LEU C C 9 173.714 175.243 -1.529 1
1 33 . 16 1 1 A 9 9 LEU CA C 9 52.544 53.946 -1.402 1
1 34 . 16 1 1 A 9 9 LEU CB C 9 40.106 41.925 -1.819 1
1 38 . 16 1 1 A 9 9 LEU N N 9 123.594 121.394 2.200 1
1 39 . 16 1 1 A 10 10 LYS H H 10 7.976 8.499 -0.523 1
1 40 . 16 1 1 A 10 10 LYS HA H 10 4.108 4.436 -0.328 1
1 49 . 16 1 1 A 10 10 LYS C C 10 172.845 175.814 -2.969 1
1 50 . 16 1 1 A 10 10 LYS CA C 10 54.150 56.590 -2.440 1
1 51 . 16 1 1 A 10 10 LYS CB C 10 30.736 32.994 -2.258 1
1 55 . 16 1 1 A 10 10 LYS N N 10 122.047 128.390 -6.343 1
1 56 . 16 1 1 A 11 11 LEU H H 11 8.102 8.621 -0.519 1
1 57 . 16 1 1 A 11 11 LEU HA H 11 4.711 5.031 -0.320 1
1 67 . 16 1 1 A 11 11 LEU C C 11 173.849 176.364 -2.515 1
1 68 . 16 1 1 A 11 11 LEU CA C 11 51.523 53.364 -1.841 1
1 69 . 16 1 1 A 11 11 LEU CB C 11 41.767 42.727 -0.960 1
1 73 . 16 1 1 A 11 11 LEU N N 11 123.872 125.971 -2.099 1
1 74 . 16 1 1 A 12 12 VAL H H 12 8.956 8.763 0.193 1
1 75 . 16 1 1 A 12 12 VAL HA H 12 4.044 5.052 -1.008 1
1 83 . 16 1 1 A 12 12 VAL C C 12 171.356 174.358 -3.002 1
1 84 . 16 1 1 A 12 12 VAL CA C 12 59.549 58.724 0.825 1
1 85 . 16 1 1 A 12 12 VAL CB C 12 31.500 34.901 -3.401 1
1 88 . 16 1 1 A 12 12 VAL N N 12 122.036 119.287 2.749 1
1 89 . 16 1 1 A 13 13 ARG H H 13 9.211 8.918 0.293 1
1 90 . 16 1 1 A 13 13 ARG HA H 13 4.434 5.019 -0.585 1
1 98 . 16 1 1 A 13 13 ARG C C 13 171.964 174.914 -2.950 1
1 99 . 16 1 1 A 13 13 ARG CA C 13 52.791 54.451 -1.660 1
1 100 . 16 1 1 A 13 13 ARG CB C 13 29.067 33.532 -4.465 1
1 103 . 16 1 1 A 13 13 ARG N N 13 125.178 121.757 3.421 1
1 105 . 16 1 1 A 14 14 ILE H H 14 8.811 8.439 0.372 1
1 106 . 16 1 1 A 14 14 ILE HA H 14 4.592 4.715 -0.123 1
1 116 . 16 1 1 A 14 14 ILE C C 14 173.197 174.372 -1.175 1
1 117 . 16 1 1 A 14 14 ILE CA C 14 55.308 60.194 -4.886 1
1 118 . 16 1 1 A 14 14 ILE CB C 14 36.411 40.463 -4.052 1
1 122 . 16 1 1 A 14 14 ILE N N 14 122.061 122.782 -0.721 1
1 123 . 16 1 1 A 15 15 TYR H H 15 8.781 8.711 0.070 1
1 124 . 16 1 1 A 15 15 TYR HA H 15 5.103 4.858 0.245 1
1 131 . 16 1 1 A 15 15 TYR C C 15 172.764 175.613 -2.849 1
1 132 . 16 1 1 A 15 15 TYR CA C 15 53.740 57.162 -3.422 1
1 133 . 16 1 1 A 15 15 TYR CB C 15 37.340 37.565 -0.225 1
1 138 . 16 1 1 A 15 15 TYR N N 15 125.241 127.046 -1.805 1
1 139 . 16 1 1 A 16 16 THR H H 16 8.961 8.902 0.059 1
1 140 . 16 1 1 A 16 16 THR HA H 16 4.806 4.473 0.333 1
1 145 . 16 1 1 A 16 16 THR C C 16 171.478 173.248 -1.770 1
1 146 . 16 1 1 A 16 16 THR CA C 16 59.180 63.038 -3.858 1
1 147 . 16 1 1 A 16 16 THR CB C 16 68.174 69.705 -1.531 1
1 149 . 16 1 1 A 16 16 THR N N 16 116.007 121.007 -5.000 1
1 150 . 16 1 1 A 17 17 LYS H H 17 8.397 8.610 -0.213 1
1 151 . 16 1 1 A 17 17 LYS HA H 17 4.446 4.850 -0.404 1
1 160 . 16 1 1 A 17 17 LYS C C 17 170.870 174.760 -3.890 1
1 161 . 16 1 1 A 17 17 LYS CA C 17 50.238 52.666 -2.428 1
1 162 . 16 1 1 A 17 17 LYS CB C 17 32.677 34.564 -1.887 1
1 166 . 16 1 1 A 17 17 LYS N N 17 125.122 128.514 -3.392 1
1 167 . 16 1 1 A 18 18 PRO HA H 18 4.474 4.580 -0.106 1
1 174 . 16 1 1 A 18 18 PRO C C 18 174.170 176.898 -2.728 1
1 175 . 16 1 1 A 18 18 PRO CA C 18 59.250 62.715 -3.465 1
1 176 . 16 1 1 A 18 18 PRO CB C 18 29.517 31.947 -2.430 1
1 179 . 16 1 1 A 19 19 LYS H H 19 8.467 8.406 0.061 1
1 180 . 16 1 1 A 19 19 LYS HA H 19 3.887 4.218 -0.331 1
1 187 . 16 1 1 A 19 19 LYS C C 19 175.944 177.229 -1.285 1
1 188 . 16 1 1 A 19 19 LYS CA C 19 55.732 56.190 -0.458 1
1 189 . 16 1 1 A 19 19 LYS CB C 19 29.818 31.433 -1.615 1
1 193 . 16 1 1 A 19 19 LYS N N 19 121.921 120.842 1.079 1
1 194 . 16 1 1 A 20 20 GLY HA2 H 20 3.958 3.999 -0.041 1
1 195 . 16 1 1 A 20 20 GLY HA3 H 20 3.676 4.001 -0.325 1
1 196 . 16 1 1 A 20 20 GLY C C 20 171.329 175.044 -3.715 1
1 197 . 16 1 1 A 20 20 GLY CA C 20 43.304 45.358 -2.054 1
1 198 . 16 1 1 A 21 21 GLN H H 21 7.553 7.921 -0.368 1
1 199 . 16 1 1 A 21 21 GLN HA H 21 4.581 4.450 0.131 1
1 206 . 16 1 1 A 21 21 GLN C C 21 172.091 175.256 -3.165 1
1 207 . 16 1 1 A 21 21 GLN CA C 21 51.330 55.786 -4.456 1
1 208 . 16 1 1 A 21 21 GLN CB C 21 29.767 30.506 -0.739 1
1 210 . 16 1 1 A 21 21 GLN N N 21 117.269 120.510 -3.241 1
1 212 . 16 1 1 A 22 22 LEU H H 22 8.048 8.501 -0.453 1
1 213 . 16 1 1 A 22 22 LEU HA H 22 4.292 4.675 -0.383 1
1 223 . 16 1 1 A 22 22 LEU C C 22 171.986 174.801 -2.815 1
1 224 . 16 1 1 A 22 22 LEU CA C 22 50.950 52.878 -1.928 1
1 225 . 16 1 1 A 22 22 LEU CB C 22 38.362 41.044 -2.682 1
1 229 . 16 1 1 A 22 22 LEU N N 22 119.689 121.881 -2.192 1
1 230 . 16 1 1 A 23 23 PRO HA H 23 4.196 4.614 -0.418 1
1 237 . 16 1 1 A 23 23 PRO C C 23 172.331 176.105 -3.774 1
1 238 . 16 1 1 A 23 23 PRO CA C 23 59.882 62.569 -2.687 1
1 239 . 16 1 1 A 23 23 PRO CB C 23 28.948 31.691 -2.743 1
1 242 . 16 1 1 A 24 24 ASP H H 24 8.191 8.416 -0.225 1
1 243 . 16 1 1 A 24 24 ASP HA H 24 4.649 4.586 0.063 1
1 246 . 16 1 1 A 24 24 ASP C C 24 175.312 176.075 -0.763 1
1 247 . 16 1 1 A 24 24 ASP CA C 24 49.710 53.941 -4.231 1
1 248 . 16 1 1 A 24 24 ASP CB C 24 37.229 41.971 -4.742 1
1 249 . 16 1 1 A 24 24 ASP N N 24 118.307 122.360 -4.053 1
1 250 . 16 1 1 A 25 25 TYR H H 25 8.171 9.110 -0.939 1
1 251 . 16 1 1 A 25 25 TYR HA H 25 4.173 4.763 -0.590 1
1 258 . 16 1 1 A 25 25 TYR C C 25 173.720 176.069 -2.349 1
1 259 . 16 1 1 A 25 25 TYR CA C 25 57.297 57.542 -0.245 1
1 260 . 16 1 1 A 25 25 TYR CB C 25 34.897 39.233 -4.336 1
1 265 . 16 1 1 A 25 25 TYR N N 25 123.576 124.300 -0.724 1
1 266 . 16 1 1 A 26 26 THR H H 26 8.278 8.215 0.063 1
1 267 . 16 1 1 A 26 26 THR HA H 26 4.343 4.709 -0.366 1
1 272 . 16 1 1 A 26 26 THR C C 26 173.145 174.868 -1.723 1
1 273 . 16 1 1 A 26 26 THR CA C 26 60.799 63.378 -2.579 1
1 274 . 16 1 1 A 26 26 THR CB C 26 67.379 71.309 -3.930 1
1 276 . 16 1 1 A 26 26 THR N N 26 109.145 115.089 -5.944 1
1 277 . 16 1 1 A 27 27 SER H H 27 7.085 8.458 -1.373 1
1 278 . 16 1 1 A 27 27 SER HA H 27 5.002 4.965 0.037 1
1 281 . 16 1 1 A 27 27 SER C C 27 169.729 171.763 -2.034 1
1 282 . 16 1 1 A 27 27 SER CA C 27 52.526 55.839 -3.313 1
1 283 . 16 1 1 A 27 27 SER CB C 27 61.215 63.898 -2.683 1
1 284 . 16 1 1 A 27 27 SER N N 27 114.134 115.976 -1.842 1
1 285 . 16 1 1 A 28 28 PRO HA H 28 4.553 4.554 -0.001 1
1 292 . 16 1 1 A 28 28 PRO C C 28 174.448 176.051 -1.603 1
1 293 . 16 1 1 A 28 28 PRO CA C 28 60.482 62.601 -2.119 1
1 294 . 16 1 1 A 28 28 PRO CB C 28 29.224 32.465 -3.241 1
1 297 . 16 1 1 A 29 29 VAL H H 29 9.191 7.993 1.198 1
1 298 . 16 1 1 A 29 29 VAL HA H 29 3.946 4.373 -0.427 1
1 306 . 16 1 1 A 29 29 VAL C C 29 172.641 174.376 -1.735 1
1 307 . 16 1 1 A 29 29 VAL CA C 29 60.367 61.746 -1.379 1
1 308 . 16 1 1 A 29 29 VAL CB C 29 30.546 32.728 -2.182 1
1 311 . 16 1 1 A 29 29 VAL N N 29 123.735 121.576 2.159 1
1 312 . 16 1 1 A 30 30 VAL H H 30 8.169 8.868 -0.699 1
1 313 . 16 1 1 A 30 30 VAL HA H 30 4.940 4.494 0.446 1
1 321 . 16 1 1 A 30 30 VAL C C 30 173.560 175.241 -1.681 1
1 322 . 16 1 1 A 30 30 VAL CA C 30 58.568 62.402 -3.834 1
1 323 . 16 1 1 A 30 30 VAL CB C 30 30.303 31.204 -0.901 1
1 326 . 16 1 1 A 30 30 VAL N N 30 125.255 130.464 -5.209 1
1 327 . 16 1 1 A 31 31 LEU H H 31 8.889 8.497 0.392 1
1 328 . 16 1 1 A 31 31 LEU HA H 31 4.816 4.757 0.059 1
1 338 . 16 1 1 A 31 31 LEU C C 31 171.113 174.687 -3.574 1
1 339 . 16 1 1 A 31 31 LEU CA C 31 48.760 51.649 -2.889 1
1 340 . 16 1 1 A 31 31 LEU CB C 31 40.938 43.868 -2.930 1
1 344 . 16 1 1 A 31 31 LEU N N 31 127.017 128.679 -1.662 1
1 345 . 16 1 1 A 32 32 PRO HA H 32 4.531 4.668 -0.137 1
1 352 . 16 1 1 A 32 32 PRO C C 32 174.294 177.597 -3.303 1
1 353 . 16 1 1 A 32 32 PRO CA C 32 59.648 62.799 -3.151 1
1 354 . 16 1 1 A 32 32 PRO CB C 32 29.349 31.687 -2.338 1
1 357 . 16 1 1 A 33 33 TYR H H 33 8.105 8.539 -0.434 1
1 358 . 16 1 1 A 33 33 TYR HA H 33 3.788 3.960 -0.172 1
1 365 . 16 1 1 A 33 33 TYR C C 33 173.470 177.211 -3.741 1
1 366 . 16 1 1 A 33 33 TYR CA C 33 58.159 62.300 -4.141 1
1 367 . 16 1 1 A 33 33 TYR CB C 33 36.244 38.969 -2.725 1
1 372 . 16 1 1 A 33 33 TYR N N 33 120.060 126.478 -6.418 1
1 373 . 16 1 1 A 34 34 SER H H 34 7.868 8.299 -0.431 1
1 374 . 16 1 1 A 34 34 SER HA H 34 3.814 4.236 -0.422 1
1 377 . 16 1 1 A 34 34 SER C C 34 171.946 174.073 -2.127 1
1 378 . 16 1 1 A 34 34 SER CA C 34 58.212 61.412 -3.200 1
1 379 . 16 1 1 A 34 34 SER CB C 34 60.928 63.067 -2.139 1
1 380 . 16 1 1 A 34 34 SER N N 34 116.733 114.448 2.285 1
1 381 . 16 1 1 A 35 35 ARG H H 35 7.883 7.903 -0.020 1
1 382 . 16 1 1 A 35 35 ARG HA H 35 4.575 4.687 -0.112 1
1 389 . 16 1 1 A 35 35 ARG C C 35 172.091 174.763 -2.672 1
1 390 . 16 1 1 A 35 35 ARG CA C 35 52.067 54.844 -2.777 1
1 391 . 16 1 1 A 35 35 ARG CB C 35 28.228 31.435 -3.207 1
1 394 . 16 1 1 A 35 35 ARG N N 35 125.492 118.855 6.637 1
1 395 . 16 1 1 A 36 36 THR H H 36 7.874 8.629 -0.755 1
1 396 . 16 1 1 A 36 36 THR HA H 36 4.613 5.197 -0.584 1
1 401 . 16 1 1 A 36 36 THR C C 36 173.095 173.451 -0.356 1
1 402 . 16 1 1 A 36 36 THR CA C 36 57.029 60.512 -3.483 1
1 403 . 16 1 1 A 36 36 THR CB C 36 66.113 70.885 -4.772 1
1 405 . 16 1 1 A 36 36 THR N N 36 107.510 114.597 -7.087 1
1 406 . 16 1 1 A 37 37 THR H H 37 8.804 8.454 0.350 1
1 407 . 16 1 1 A 37 37 THR HA H 37 5.288 4.676 0.612 1
1 412 . 16 1 1 A 37 37 THR C C 37 174.234 174.421 -0.187 1
1 413 . 16 1 1 A 37 37 THR CA C 37 59.681 60.764 -1.083 1
1 414 . 16 1 1 A 37 37 THR CB C 37 70.032 71.186 -1.154 1
1 416 . 16 1 1 A 37 37 THR N N 37 112.714 116.823 -4.109 1
1 417 . 16 1 1 A 38 38 VAL H H 38 8.269 8.904 -0.635 1
1 418 . 16 1 1 A 38 38 VAL HA H 38 3.485 3.637 -0.152 1
1 426 . 16 1 1 A 38 38 VAL C C 38 175.909 177.308 -1.399 1
1 427 . 16 1 1 A 38 38 VAL CA C 38 64.496 66.830 -2.334 1
1 428 . 16 1 1 A 38 38 VAL CB C 38 29.015 31.495 -2.480 1
1 431 . 16 1 1 A 38 38 VAL N N 38 121.372 122.643 -1.271 1
1 432 . 16 1 1 A 39 39 GLU H H 39 8.597 8.301 0.296 1
1 433 . 16 1 1 A 39 39 GLU HA H 39 3.495 3.861 -0.366 1
1 438 . 16 1 1 A 39 39 GLU C C 39 174.769 178.356 -3.587 1
1 439 . 16 1 1 A 39 39 GLU CA C 39 58.418 59.254 -0.836 1
1 440 . 16 1 1 A 39 39 GLU CB C 39 27.358 29.019 -1.661 1
1 442 . 16 1 1 A 39 39 GLU N N 39 121.954 119.086 2.868 1
1 443 . 16 1 1 A 40 40 ASP H H 40 7.493 8.303 -0.810 1
1 444 . 16 1 1 A 40 40 ASP HA H 40 4.071 4.263 -0.192 1
1 447 . 16 1 1 A 40 40 ASP C C 40 176.738 178.886 -2.148 1
1 448 . 16 1 1 A 40 40 ASP CA C 40 55.877 57.286 -1.409 1
1 449 . 16 1 1 A 40 40 ASP CB C 40 38.721 40.075 -1.354 1
1 450 . 16 1 1 A 40 40 ASP N N 40 119.054 120.435 -1.381 1
1 451 . 16 1 1 A 41 41 PHE H H 41 8.429 8.062 0.367 1
1 452 . 16 1 1 A 41 41 PHE HA H 41 3.750 4.064 -0.314 1
1 460 . 16 1 1 A 41 41 PHE C C 41 173.786 177.304 -3.518 1
1 461 . 16 1 1 A 41 41 PHE CA C 41 59.851 60.879 -1.028 1
1 462 . 16 1 1 A 41 41 PHE CB C 41 36.135 38.851 -2.716 1
1 468 . 16 1 1 A 41 41 PHE N N 41 121.017 122.222 -1.205 1
1 469 . 16 1 1 A 42 42 CYS H H 42 8.527 8.160 0.367 1
1 470 . 16 1 1 A 42 42 CYS HA H 42 3.752 4.376 -0.624 1
1 473 . 16 1 1 A 42 42 CYS C C 42 174.065 177.710 -3.645 1
1 474 . 16 1 1 A 42 42 CYS CA C 42 62.453 61.974 0.479 1
1 475 . 16 1 1 A 42 42 CYS CB C 42 24.429 26.736 -2.307 1
1 476 . 16 1 1 A 42 42 CYS N N 42 116.390 117.081 -0.691 1
1 477 . 16 1 1 A 43 43 MET H H 43 7.739 7.760 -0.021 1
1 478 . 16 1 1 A 43 43 MET HA H 43 3.885 4.198 -0.313 1
1 486 . 16 1 1 A 43 43 MET C C 43 175.345 178.672 -3.327 1
1 487 . 16 1 1 A 43 43 MET CA C 43 54.460 58.042 -3.582 1
1 488 . 16 1 1 A 43 43 MET CB C 43 28.872 33.071 -4.199 1
1 491 . 16 1 1 A 43 43 MET N N 43 114.377 119.902 -5.525 1
1 492 . 16 1 1 A 44 44 LYS H H 44 7.257 7.807 -0.550 1
1 493 . 16 1 1 A 44 44 LYS HA H 44 3.896 3.930 -0.034 1
1 502 . 16 1 1 A 44 44 LYS C C 44 175.198 178.468 -3.270 1
1 503 . 16 1 1 A 44 44 LYS CA C 44 54.181 58.610 -4.429 1
1 504 . 16 1 1 A 44 44 LYS CB C 44 29.291 32.488 -3.197 1
1 508 . 16 1 1 A 44 44 LYS N N 44 117.480 118.463 -0.983 1
1 509 . 16 1 1 A 45 45 ILE H H 45 7.146 6.833 0.313 1
1 510 . 16 1 1 A 45 45 ILE HA H 45 3.697 3.944 -0.247 1
1 520 . 16 1 1 A 45 45 ILE C C 45 174.894 175.973 -1.079 1
1 521 . 16 1 1 A 45 45 ILE CA C 45 59.954 63.150 -3.196 1
1 522 . 16 1 1 A 45 45 ILE CB C 45 33.943 38.571 -4.628 1
1 526 . 16 1 1 A 45 45 ILE N N 45 119.267 117.307 1.960 1
1 527 . 16 1 1 A 46 46 HIS H H 46 7.982 7.943 0.039 1
1 528 . 16 1 1 A 46 46 HIS HA H 46 4.200 4.761 -0.561 1
1 533 . 16 1 1 A 46 46 HIS C C 46 173.349 175.068 -1.719 1
1 534 . 16 1 1 A 46 46 HIS CA C 46 56.363 55.868 0.495 1
1 535 . 16 1 1 A 46 46 HIS CB C 46 30.998 32.531 -1.533 1
1 538 . 16 1 1 A 46 46 HIS N N 46 116.498 116.939 -0.441 1
1 539 . 16 1 1 A 47 47 LYS H H 47 8.478 8.637 -0.159 1
1 540 . 16 1 1 A 47 47 LYS HA H 47 4.091 3.793 0.298 1
1 545 . 16 1 1 A 47 47 LYS C C 47 174.519 178.266 -3.747 1
1 546 . 16 1 1 A 47 47 LYS CA C 47 57.279 60.393 -3.114 1
1 547 . 16 1 1 A 47 47 LYS CB C 47 29.709 32.254 -2.545 1
1 551 . 16 1 1 A 47 47 LYS N N 47 127.686 125.696 1.990 1
1 552 . 16 1 1 A 48 48 ASN H H 48 10.623 8.488 2.135 1
1 553 . 16 1 1 A 48 48 ASN HA H 48 4.839 4.536 0.303 1
1 558 . 16 1 1 A 48 48 ASN C C 48 175.138 177.829 -2.691 1
1 559 . 16 1 1 A 48 48 ASN CA C 48 50.960 56.074 -5.114 1
1 560 . 16 1 1 A 48 48 ASN CB C 48 36.975 38.391 -1.416 1
1 561 . 16 1 1 A 48 48 ASN N N 48 118.711 118.311 0.400 1
1 563 . 16 1 1 A 49 49 LEU H H 49 7.796 8.118 -0.322 1
1 564 . 16 1 1 A 49 49 LEU HA H 49 4.103 4.010 0.093 1
1 574 . 16 1 1 A 49 49 LEU C C 49 176.976 178.571 -1.595 1
1 575 . 16 1 1 A 49 49 LEU CA C 49 56.381 58.774 -2.393 1
1 576 . 16 1 1 A 49 49 LEU CB C 49 39.064 41.775 -2.711 1
1 580 . 16 1 1 A 49 49 LEU N N 49 124.676 121.651 3.025 1
1 581 . 16 1 1 A 50 50 ILE H H 50 9.052 7.903 1.149 1
1 582 . 16 1 1 A 50 50 ILE HA H 50 4.060 3.816 0.244 1
1 592 . 16 1 1 A 50 50 ILE C C 50 173.983 177.681 -3.698 1
1 593 . 16 1 1 A 50 50 ILE CA C 50 57.842 63.841 -5.999 1
1 594 . 16 1 1 A 50 50 ILE CB C 50 35.943 37.818 -1.875 1
1 598 . 16 1 1 A 50 50 ILE N N 50 116.565 118.997 -2.432 1
1 599 . 16 1 1 A 51 51 LYS H H 51 7.275 8.332 -1.057 1
1 600 . 16 1 1 A 51 51 LYS HA H 51 4.143 4.132 0.011 1
1 609 . 16 1 1 A 51 51 LYS C C 51 175.668 178.201 -2.533 1
1 610 . 16 1 1 A 51 51 LYS CA C 51 55.696 59.696 -4.000 1
1 611 . 16 1 1 A 51 51 LYS CB C 51 29.767 32.365 -2.598 1
1 615 . 16 1 1 A 51 51 LYS N N 51 119.864 122.480 -2.616 1
1 616 . 16 1 1 A 52 52 GLU H H 52 7.590 7.917 -0.327 1
1 617 . 16 1 1 A 52 52 GLU HA H 52 4.319 4.435 -0.116 1
1 622 . 16 1 1 A 52 52 GLU C C 52 173.088 176.574 -3.486 1
1 623 . 16 1 1 A 52 52 GLU CA C 52 53.301 56.463 -3.162 1
1 624 . 16 1 1 A 52 52 GLU CB C 52 28.778 30.454 -1.676 1
1 626 . 16 1 1 A 52 52 GLU N N 52 116.453 116.330 0.123 1
1 627 . 16 1 1 A 53 53 PHE H H 53 7.423 8.069 -0.646 1
1 628 . 16 1 1 A 53 53 PHE HA H 53 3.608 4.566 -0.958 1
1 636 . 16 1 1 A 53 53 PHE C C 53 170.946 175.497 -4.551 1
1 637 . 16 1 1 A 53 53 PHE CA C 53 57.983 57.874 0.109 1
1 638 . 16 1 1 A 53 53 PHE CB C 53 38.913 39.136 -0.223 1
1 644 . 16 1 1 A 53 53 PHE N N 53 120.950 123.248 -2.298 1
1 645 . 16 1 1 A 54 54 LYS H H 54 8.385 8.935 -0.550 1
1 646 . 16 1 1 A 54 54 LYS HA H 54 4.268 4.097 0.171 1
1 655 . 16 1 1 A 54 54 LYS C C 54 173.038 175.426 -2.388 1
1 656 . 16 1 1 A 54 54 LYS CA C 54 55.263 57.441 -2.178 1
1 657 . 16 1 1 A 54 54 LYS CB C 54 32.730 33.609 -0.879 1
1 661 . 16 1 1 A 54 54 LYS N N 54 128.686 127.485 1.201 1
1 662 . 16 1 1 A 55 55 TYR H H 55 7.083 6.911 0.172 1
1 663 . 16 1 1 A 55 55 TYR HA H 55 4.120 4.506 -0.386 1
1 670 . 16 1 1 A 55 55 TYR C C 55 168.503 173.002 -4.499 1
1 671 . 16 1 1 A 55 55 TYR CA C 55 55.198 56.001 -0.803 1
1 672 . 16 1 1 A 55 55 TYR CB C 55 35.633 39.919 -4.286 1
1 677 . 16 1 1 A 55 55 TYR N N 55 110.963 112.740 -1.777 1
1 678 . 16 1 1 A 56 56 ALA H H 56 8.836 8.993 -0.157 1
1 679 . 16 1 1 A 56 56 ALA HA H 56 5.293 5.297 -0.004 1
1 683 . 16 1 1 A 56 56 ALA C C 56 172.993 175.979 -2.986 1
1 684 . 16 1 1 A 56 56 ALA CA C 56 47.088 50.804 -3.716 1
1 685 . 16 1 1 A 56 56 ALA CB C 56 20.287 23.019 -2.732 1
1 686 . 16 1 1 A 56 56 ALA N N 56 118.379 122.065 -3.686 1
1 687 . 16 1 1 A 57 57 LEU H H 57 8.880 8.809 0.071 1
1 688 . 16 1 1 A 57 57 LEU HA H 57 4.854 4.782 0.072 1
1 698 . 16 1 1 A 57 57 LEU C C 57 172.904 175.314 -2.410 1
1 699 . 16 1 1 A 57 57 LEU CA C 57 50.872 53.349 -2.477 1
1 700 . 16 1 1 A 57 57 LEU CB C 57 42.160 41.718 0.442 1
1 704 . 16 1 1 A 57 57 LEU N N 57 121.382 122.128 -0.746 1
1 705 . 16 1 1 A 58 58 VAL H H 58 8.123 8.381 -0.258 1
1 706 . 16 1 1 A 58 58 VAL HA H 58 5.243 4.519 0.724 1
1 714 . 16 1 1 A 58 58 VAL C C 58 171.929 175.108 -3.179 1
1 715 . 16 1 1 A 58 58 VAL CA C 58 57.683 61.776 -4.093 1
1 716 . 16 1 1 A 58 58 VAL CB C 58 33.036 32.130 0.906 1
1 719 . 16 1 1 A 58 58 VAL N N 58 120.400 124.745 -4.345 1
1 720 . 16 1 1 A 59 59 TRP H H 59 9.316 8.768 0.548 1
1 721 . 16 1 1 A 59 59 TRP HA H 59 4.843 5.232 -0.389 1
1 730 . 16 1 1 A 59 59 TRP C C 59 173.582 176.761 -3.179 1
1 731 . 16 1 1 A 59 59 TRP CA C 59 54.736 55.170 -0.434 1
1 732 . 16 1 1 A 59 59 TRP CB C 59 30.514 30.771 -0.257 1
1 738 . 16 1 1 A 59 59 TRP N N 59 127.196 128.107 -0.911 1
1 740 . 16 1 1 A 60 60 GLY H H 60 8.531 8.355 0.176 1
1 741 . 16 1 1 A 60 60 GLY HA2 H 60 4.934 4.318 0.616 1
1 742 . 16 1 1 A 60 60 GLY HA3 H 60 4.123 4.324 -0.201 1
1 743 . 16 1 1 A 60 60 GLY C C 60 171.378 174.371 -2.993 1
1 744 . 16 1 1 A 60 60 GLY CA C 60 42.587 45.826 -3.239 1
1 745 . 16 1 1 A 60 60 GLY N N 60 110.481 110.364 0.117 1
1 746 . 16 1 1 A 61 61 LEU H H 61 8.188 9.012 -0.824 1
1 747 . 16 1 1 A 61 61 LEU HA H 61 4.141 4.031 0.110 1
1 757 . 16 1 1 A 61 61 LEU C C 61 176.897 179.127 -2.230 1
1 758 . 16 1 1 A 61 61 LEU CA C 61 54.357 56.833 -2.476 1
1 759 . 16 1 1 A 61 61 LEU CB C 61 39.942 41.909 -1.967 1
1 763 . 16 1 1 A 61 61 LEU N N 61 118.667 120.892 -2.225 1
1 764 . 16 1 1 A 62 62 SER H H 62 8.123 7.817 0.306 1
1 765 . 16 1 1 A 62 62 SER HA H 62 4.284 4.319 -0.035 1
1 768 . 16 1 1 A 62 62 SER C C 62 171.932 173.879 -1.947 1
1 769 . 16 1 1 A 62 62 SER CA C 62 57.279 60.864 -3.585 1
1 770 . 16 1 1 A 62 62 SER CB C 62 60.354 63.357 -3.003 1
1 771 . 16 1 1 A 62 62 SER N N 62 110.946 113.221 -2.275 1
1 772 . 16 1 1 A 63 63 VAL H H 63 7.174 7.688 -0.514 1
1 773 . 16 1 1 A 63 63 VAL HA H 63 4.503 4.658 -0.155 1
1 781 . 16 1 1 A 63 63 VAL C C 63 173.221 175.250 -2.029 1
1 782 . 16 1 1 A 63 63 VAL CA C 63 57.573 58.831 -1.258 1
1 783 . 16 1 1 A 63 63 VAL CB C 63 31.826 34.611 -2.785 1
1 786 . 16 1 1 A 63 63 VAL N N 63 114.625 115.293 -0.668 1
1 787 . 16 1 1 A 64 64 LYS H H 64 8.112 8.811 -0.699 1
1 788 . 16 1 1 A 64 64 LYS HA H 64 4.105 4.203 -0.098 1
1 796 . 16 1 1 A 64 64 LYS C C 64 174.259 176.523 -2.264 1
1 797 . 16 1 1 A 64 64 LYS CA C 64 54.586 57.184 -2.598 1
1 798 . 16 1 1 A 64 64 LYS CB C 64 30.837 33.451 -2.614 1
1 802 . 16 1 1 A 64 64 LYS N N 64 119.722 120.861 -1.139 1
1 803 . 16 1 1 A 65 65 HIS H H 65 7.496 7.247 0.249 1
1 804 . 16 1 1 A 65 65 HIS HA H 65 4.497 5.192 -0.695 1
1 809 . 16 1 1 A 65 65 HIS C C 65 170.028 174.222 -4.194 1
1 810 . 16 1 1 A 65 65 HIS CA C 65 52.491 54.774 -2.283 1
1 811 . 16 1 1 A 65 65 HIS CB C 65 29.149 32.018 -2.869 1
1 814 . 16 1 1 A 65 65 HIS N N 65 117.336 115.360 1.976 1
1 815 . 16 1 1 A 66 66 ASN H H 66 8.135 9.200 -1.065 1
1 816 . 16 1 1 A 66 66 ASN HA H 66 4.986 5.290 -0.304 1
1 821 . 16 1 1 A 66 66 ASN C C 66 171.088 173.205 -2.117 1
1 822 . 16 1 1 A 66 66 ASN CA C 66 47.732 50.537 -2.805 1
1 823 . 16 1 1 A 66 66 ASN CB C 66 39.365 40.450 -1.085 1
1 824 . 16 1 1 A 66 66 ASN N N 66 118.616 121.466 -2.850 1
1 826 . 16 1 1 A 67 67 PRO HA H 67 4.408 4.217 0.191 1
1 833 . 16 1 1 A 67 67 PRO C C 67 173.325 175.255 -1.930 1
1 834 . 16 1 1 A 67 67 PRO CA C 67 60.535 62.565 -2.030 1
1 835 . 16 1 1 A 67 67 PRO CB C 67 31.065 32.620 -1.555 1
1 838 . 16 1 1 A 68 68 GLN H H 68 8.323 8.189 0.134 1
1 839 . 16 1 1 A 68 68 GLN HA H 68 4.295 4.568 -0.273 1
1 846 . 16 1 1 A 68 68 GLN C C 68 172.005 174.547 -2.542 1
1 847 . 16 1 1 A 68 68 GLN CA C 68 51.805 54.744 -2.939 1
1 848 . 16 1 1 A 68 68 GLN CB C 68 30.014 31.840 -1.826 1
1 850 . 16 1 1 A 68 68 GLN N N 68 118.089 120.837 -2.748 1
1 852 . 16 1 1 A 69 69 LYS H H 69 8.268 8.523 -0.255 1
1 853 . 16 1 1 A 69 69 LYS HA H 69 4.907 4.439 0.468 1
1 862 . 16 1 1 A 69 69 LYS C C 69 174.226 176.208 -1.982 1
1 863 . 16 1 1 A 69 69 LYS CA C 69 53.598 56.123 -2.525 1
1 864 . 16 1 1 A 69 69 LYS CB C 69 30.096 32.953 -2.857 1
1 868 . 16 1 1 A 69 69 LYS N N 69 125.766 127.651 -1.885 1
1 869 . 16 1 1 A 70 70 VAL H H 70 9.409 8.815 0.594 1
1 870 . 16 1 1 A 70 70 VAL HA H 70 4.723 5.001 -0.278 1
1 878 . 16 1 1 A 70 70 VAL C C 70 172.498 176.017 -3.519 1
1 879 . 16 1 1 A 70 70 VAL CA C 70 56.680 59.960 -3.280 1
1 880 . 16 1 1 A 70 70 VAL CB C 70 33.332 34.119 -0.787 1
1 883 . 16 1 1 A 70 70 VAL N N 70 120.660 121.949 -1.289 1
1 884 . 16 1 1 A 71 71 GLY H H 71 8.445 8.585 -0.140 1
1 885 . 16 1 1 A 71 71 GLY HA2 H 71 4.961 4.264 0.697 1
1 886 . 16 1 1 A 71 71 GLY HA3 H 71 3.898 4.388 -0.490 1
1 887 . 16 1 1 A 71 71 GLY C C 71 172.669 174.840 -2.171 1
1 888 . 16 1 1 A 71 71 GLY CA C 71 40.896 44.761 -3.865 1
1 889 . 16 1 1 A 71 71 GLY N N 71 106.755 109.725 -2.970 1
1 890 . 16 1 1 A 72 72 LYS H H 72 8.573 8.898 -0.325 1
1 891 . 16 1 1 A 72 72 LYS HA H 72 3.454 4.036 -0.582 1
1 900 . 16 1 1 A 72 72 LYS C C 72 172.853 176.955 -4.102 1
1 901 . 16 1 1 A 72 72 LYS CA C 72 56.108 57.799 -1.691 1
1 902 . 16 1 1 A 72 72 LYS CB C 72 29.993 33.001 -3.008 1
1 906 . 16 1 1 A 72 72 LYS N N 72 114.685 117.858 -3.173 1
1 907 . 16 1 1 A 73 73 ASP H H 73 8.517 8.030 0.487 1
1 908 . 16 1 1 A 73 73 ASP HA H 73 4.543 4.703 -0.160 1
1 911 . 16 1 1 A 73 73 ASP C C 73 173.041 175.940 -2.899 1
1 912 . 16 1 1 A 73 73 ASP CA C 73 51.118 53.837 -2.719 1
1 913 . 16 1 1 A 73 73 ASP CB C 73 38.311 41.255 -2.944 1
1 914 . 16 1 1 A 73 73 ASP N N 73 115.449 119.651 -4.202 1
1 915 . 16 1 1 A 74 74 HIS H H 74 7.173 7.770 -0.597 1
1 916 . 16 1 1 A 74 74 HIS HA H 74 4.084 4.536 -0.452 1
1 921 . 16 1 1 A 74 74 HIS C C 74 172.466 174.476 -2.010 1
1 922 . 16 1 1 A 74 74 HIS CA C 74 55.483 57.479 -1.996 1
1 923 . 16 1 1 A 74 74 HIS CB C 74 29.868 30.744 -0.876 1
1 926 . 16 1 1 A 74 74 HIS N N 74 120.387 120.335 0.052 1
1 927 . 16 1 1 A 75 75 THR H H 75 7.573 8.091 -0.518 1
1 928 . 16 1 1 A 75 75 THR HA H 75 3.562 4.440 -0.878 1
1 933 . 16 1 1 A 75 75 THR C C 75 170.555 174.197 -3.642 1
1 934 . 16 1 1 A 75 75 THR CA C 75 61.656 61.898 -0.242 1
1 935 . 16 1 1 A 75 75 THR CB C 75 66.449 69.534 -3.085 1
1 937 . 16 1 1 A 75 75 THR N N 75 123.519 120.175 3.344 1
1 938 . 16 1 1 A 76 76 LEU H H 76 8.300 8.527 -0.227 1
1 939 . 16 1 1 A 76 76 LEU HA H 76 4.187 4.672 -0.485 1
1 949 . 16 1 1 A 76 76 LEU C C 76 174.153 175.700 -1.547 1
1 950 . 16 1 1 A 76 76 LEU CA C 76 52.201 53.954 -1.753 1
1 951 . 16 1 1 A 76 76 LEU CB C 76 40.188 42.815 -2.627 1
1 955 . 16 1 1 A 76 76 LEU N N 76 127.705 126.921 0.784 1
1 956 . 16 1 1 A 77 77 GLU H H 77 9.006 9.023 -0.017 1
1 957 . 16 1 1 A 77 77 GLU HA H 77 4.295 4.845 -0.550 1
1 962 . 16 1 1 A 77 77 GLU C C 77 172.035 175.027 -2.992 1
1 963 . 16 1 1 A 77 77 GLU CA C 77 51.734 54.354 -2.620 1
1 964 . 16 1 1 A 77 77 GLU CB C 77 30.671 33.376 -2.705 1
1 966 . 16 1 1 A 77 77 GLU N N 77 120.330 119.897 0.433 1
1 967 . 16 1 1 A 78 78 ASP H H 78 8.375 8.618 -0.243 1
1 968 . 16 1 1 A 78 78 ASP HA H 78 4.289 4.285 0.004 1
1 971 . 16 1 1 A 78 78 ASP C C 78 174.522 177.012 -2.490 1
1 972 . 16 1 1 A 78 78 ASP CA C 78 54.779 54.898 -0.119 1
1 973 . 16 1 1 A 78 78 ASP CB C 78 39.200 40.962 -1.762 1
1 974 . 16 1 1 A 78 78 ASP N N 78 116.751 123.301 -6.550 1
1 975 . 16 1 1 A 79 79 GLU H H 79 9.867 8.838 1.029 1
1 976 . 16 1 1 A 79 79 GLU HA H 79 3.685 3.918 -0.233 1
1 981 . 16 1 1 A 79 79 GLU C C 79 172.755 174.238 -1.483 1
1 982 . 16 1 1 A 79 79 GLU CA C 79 57.384 57.386 -0.002 1
1 983 . 16 1 1 A 79 79 GLU CB C 79 24.429 28.274 -3.845 1
1 985 . 16 1 1 A 79 79 GLU N N 79 119.409 119.223 0.186 1
1 986 . 16 1 1 A 80 80 ASP H H 80 8.212 7.489 0.723 1
1 987 . 16 1 1 A 80 80 ASP HA H 80 4.833 5.289 -0.456 1
1 990 . 16 1 1 A 80 80 ASP C C 80 171.935 174.933 -2.998 1
1 991 . 16 1 1 A 80 80 ASP CA C 80 53.900 53.249 0.651 1
1 992 . 16 1 1 A 80 80 ASP CB C 80 39.633 43.969 -4.336 1
1 993 . 16 1 1 A 80 80 ASP N N 80 121.227 119.035 2.192 1
1 994 . 16 1 1 A 81 81 VAL H H 81 8.638 9.057 -0.419 1
1 995 . 16 1 1 A 81 81 VAL HA H 81 5.055 5.202 -0.147 1
1 1003 . 16 1 1 A 81 81 VAL C C 81 172.826 174.921 -2.095 1
1 1004 . 16 1 1 A 81 81 VAL CA C 81 57.723 61.885 -4.162 1
1 1005 . 16 1 1 A 81 81 VAL CB C 81 31.767 33.468 -1.701 1
1 1008 . 16 1 1 A 81 81 VAL N N 81 118.946 125.594 -6.648 1
1 1009 . 16 1 1 A 82 82 ILE H H 82 9.007 8.596 0.411 1
1 1010 . 16 1 1 A 82 82 ILE HA H 82 5.789 5.200 0.589 1
1 1020 . 16 1 1 A 82 82 ILE C C 82 170.143 173.232 -3.089 1
1 1021 . 16 1 1 A 82 82 ILE CA C 82 55.824 59.241 -3.417 1
1 1022 . 16 1 1 A 82 82 ILE CB C 82 41.574 42.279 -0.705 1
1 1026 . 16 1 1 A 82 82 ILE N N 82 124.391 128.138 -3.747 1
1 1027 . 16 1 1 A 83 83 GLN H H 83 9.415 8.996 0.419 1
1 1028 . 16 1 1 A 83 83 GLN HA H 83 4.815 4.909 -0.094 1
1 1035 . 16 1 1 A 83 83 GLN C C 83 172.719 174.580 -1.861 1
1 1036 . 16 1 1 A 83 83 GLN CA C 83 52.016 54.684 -2.668 1
1 1037 . 16 1 1 A 83 83 GLN CB C 83 32.094 30.407 1.687 1
1 1039 . 16 1 1 A 83 83 GLN N N 83 127.774 128.892 -1.118 1
1 1041 . 16 1 1 A 84 84 ILE H H 84 8.878 8.526 0.352 1
1 1042 . 16 1 1 A 84 84 ILE HA H 84 4.074 4.340 -0.266 1
1 1052 . 16 1 1 A 84 84 ILE C C 84 173.096 175.562 -2.466 1
1 1053 . 16 1 1 A 84 84 ILE CA C 84 57.372 61.424 -4.052 1
1 1054 . 16 1 1 A 84 84 ILE CB C 84 34.771 37.452 -2.681 1
1 1058 . 16 1 1 A 84 84 ILE N N 84 126.673 126.708 -0.035 1
1 1059 . 16 1 1 A 85 85 VAL H H 85 8.562 8.480 0.082 1
1 1060 . 16 1 1 A 85 85 VAL HA H 85 3.914 4.374 -0.460 1
1 1068 . 16 1 1 A 85 85 VAL C C 85 172.438 174.845 -2.407 1
1 1069 . 16 1 1 A 85 85 VAL CA C 85 60.112 61.300 -1.188 1
1 1070 . 16 1 1 A 85 85 VAL CB C 85 28.964 32.493 -3.529 1
1 1073 . 16 1 1 A 85 85 VAL N N 85 130.400 128.083 2.317 1
1 1074 . 16 1 1 A 86 86 LYS H H 86 8.399 8.428 -0.029 1
1 1075 . 16 1 1 A 86 86 LYS HA H 86 4.640 4.991 -0.351 1
1 1084 . 16 1 1 A 86 86 LYS C C 86 174.388 176.412 -2.024 1
1 1085 . 16 1 1 A 86 86 LYS CA C 86 53.301 54.427 -1.126 1
1 1086 . 16 1 1 A 86 86 LYS CB C 86 32.587 34.118 -1.531 1
1 1090 . 16 1 1 A 86 86 LYS N N 86 126.582 127.086 -0.504 1
1 1091 . 16 1 1 A 87 87 LYS H H 87 8.485 8.490 -0.005 1
1 1092 . 16 1 1 A 87 87 LYS HA H 87 3.923 4.503 -0.580 1
1 1101 . 16 1 1 A 87 87 LYS C C 87 174.196 176.335 -2.139 1
1 1102 . 16 1 1 A 87 87 LYS CA C 87 55.171 55.464 -0.293 1
1 1103 . 16 1 1 A 87 87 LYS CB C 87 31.274 33.312 -2.038 1
1 1107 . 16 1 1 A 87 87 LYS N N 87 119.203 121.660 -2.457 1
1 1108 . 16 1 1 A 89 89 GLY HA2 H 89 4.034 4.215 -0.181 1
1 1109 . 16 1 1 A 89 89 GLY HA3 H 89 4.034 4.217 -0.183 1
1 1110 . 16 1 1 A 89 89 GLY CA C 89 42.366 45.442 -3.076 1
1 1111 . 16 1 1 A 90 90 PRO HA H 90 4.369 4.427 -0.058 1
1 1118 . 16 1 1 A 90 90 PRO CA C 90 61.070 64.364 -3.294 1
1 1119 . 16 1 1 A 90 90 PRO CB C 90 29.818 31.950 -2.132 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.759 3.906 -0.147 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.759 3.924 -0.165 1
1 3 . 17 1 1 A 7 7 GLY C C 7 171.455 174.645 -3.190 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 42.980 47.100 -4.120 1
1 5 . 17 1 1 A 8 8 TYR H H 8 7.813 8.212 -0.399 1
1 6 . 17 1 1 A 8 8 TYR HA H 8 4.391 4.462 -0.071 1
1 13 . 17 1 1 A 8 8 TYR C C 8 173.043 175.781 -2.738 1
1 14 . 17 1 1 A 8 8 TYR CA C 8 55.501 59.367 -3.866 1
1 15 . 17 1 1 A 8 8 TYR CB C 8 36.317 38.918 -2.601 1
1 20 . 17 1 1 A 8 8 TYR N N 8 119.411 121.174 -1.763 1
1 21 . 17 1 1 A 9 9 LEU H H 9 7.861 7.316 0.545 1
1 22 . 17 1 1 A 9 9 LEU HA H 9 4.118 4.316 -0.198 1
1 32 . 17 1 1 A 9 9 LEU C C 9 173.714 176.172 -2.458 1
1 33 . 17 1 1 A 9 9 LEU CA C 9 52.544 53.999 -1.455 1
1 34 . 17 1 1 A 9 9 LEU CB C 9 40.106 41.324 -1.218 1
1 38 . 17 1 1 A 9 9 LEU N N 9 123.594 122.563 1.031 1
1 39 . 17 1 1 A 10 10 LYS H H 10 7.976 8.312 -0.336 1
1 40 . 17 1 1 A 10 10 LYS HA H 10 4.108 4.284 -0.176 1
1 49 . 17 1 1 A 10 10 LYS C C 10 172.845 175.921 -3.076 1
1 50 . 17 1 1 A 10 10 LYS CA C 10 54.150 56.596 -2.446 1
1 51 . 17 1 1 A 10 10 LYS CB C 10 30.736 32.764 -2.028 1
1 55 . 17 1 1 A 10 10 LYS N N 10 122.047 126.353 -4.306 1
1 56 . 17 1 1 A 11 11 LEU H H 11 8.102 8.330 -0.228 1
1 57 . 17 1 1 A 11 11 LEU HA H 11 4.711 5.061 -0.350 1
1 67 . 17 1 1 A 11 11 LEU C C 11 173.849 176.034 -2.185 1
1 68 . 17 1 1 A 11 11 LEU CA C 11 51.523 53.401 -1.878 1
1 69 . 17 1 1 A 11 11 LEU CB C 11 41.767 42.726 -0.959 1
1 73 . 17 1 1 A 11 11 LEU N N 11 123.872 125.361 -1.489 1
1 74 . 17 1 1 A 12 12 VAL H H 12 8.956 8.818 0.138 1
1 75 . 17 1 1 A 12 12 VAL HA H 12 4.044 4.944 -0.900 1
1 83 . 17 1 1 A 12 12 VAL C C 12 171.356 174.268 -2.912 1
1 84 . 17 1 1 A 12 12 VAL CA C 12 59.549 59.047 0.502 1
1 85 . 17 1 1 A 12 12 VAL CB C 12 31.500 35.132 -3.632 1
1 88 . 17 1 1 A 12 12 VAL N N 12 122.036 119.081 2.955 1
1 89 . 17 1 1 A 13 13 ARG H H 13 9.211 8.892 0.319 1
1 90 . 17 1 1 A 13 13 ARG HA H 13 4.434 5.088 -0.654 1
1 98 . 17 1 1 A 13 13 ARG C C 13 171.964 175.111 -3.147 1
1 99 . 17 1 1 A 13 13 ARG CA C 13 52.791 54.451 -1.660 1
1 100 . 17 1 1 A 13 13 ARG CB C 13 29.067 33.312 -4.245 1
1 103 . 17 1 1 A 13 13 ARG N N 13 125.178 122.614 2.564 1
1 105 . 17 1 1 A 14 14 ILE H H 14 8.811 8.429 0.382 1
1 106 . 17 1 1 A 14 14 ILE HA H 14 4.592 4.576 0.016 1
1 116 . 17 1 1 A 14 14 ILE C C 14 173.197 175.042 -1.845 1
1 117 . 17 1 1 A 14 14 ILE CA C 14 55.308 60.287 -4.979 1
1 118 . 17 1 1 A 14 14 ILE CB C 14 36.411 39.994 -3.583 1
1 122 . 17 1 1 A 14 14 ILE N N 14 122.061 122.534 -0.473 1
1 123 . 17 1 1 A 15 15 TYR H H 15 8.781 8.235 0.546 1
1 124 . 17 1 1 A 15 15 TYR HA H 15 5.103 4.773 0.330 1
1 131 . 17 1 1 A 15 15 TYR C C 15 172.764 175.560 -2.796 1
1 132 . 17 1 1 A 15 15 TYR CA C 15 53.740 57.839 -4.099 1
1 133 . 17 1 1 A 15 15 TYR CB C 15 37.340 37.790 -0.450 1
1 138 . 17 1 1 A 15 15 TYR N N 15 125.241 128.324 -3.083 1
1 139 . 17 1 1 A 16 16 THR H H 16 8.961 8.893 0.068 1
1 140 . 17 1 1 A 16 16 THR HA H 16 4.806 4.380 0.426 1
1 145 . 17 1 1 A 16 16 THR C C 16 171.478 173.531 -2.053 1
1 146 . 17 1 1 A 16 16 THR CA C 16 59.180 63.212 -4.032 1
1 147 . 17 1 1 A 16 16 THR CB C 16 68.174 69.663 -1.489 1
1 149 . 17 1 1 A 16 16 THR N N 16 116.007 121.015 -5.008 1
1 150 . 17 1 1 A 17 17 LYS H H 17 8.397 8.434 -0.037 1
1 151 . 17 1 1 A 17 17 LYS HA H 17 4.446 4.956 -0.510 1
1 160 . 17 1 1 A 17 17 LYS C C 17 170.870 174.662 -3.792 1
1 161 . 17 1 1 A 17 17 LYS CA C 17 50.238 52.890 -2.652 1
1 162 . 17 1 1 A 17 17 LYS CB C 17 32.677 34.344 -1.667 1
1 166 . 17 1 1 A 17 17 LYS N N 17 125.122 127.717 -2.595 1
1 167 . 17 1 1 A 18 18 PRO HA H 18 4.474 4.582 -0.108 1
1 174 . 17 1 1 A 18 18 PRO C C 18 174.170 176.146 -1.976 1
1 175 . 17 1 1 A 18 18 PRO CA C 18 59.250 62.420 -3.170 1
1 176 . 17 1 1 A 18 18 PRO CB C 18 29.517 32.339 -2.822 1
1 179 . 17 1 1 A 19 19 LYS H H 19 8.467 8.470 -0.003 1
1 180 . 17 1 1 A 19 19 LYS HA H 19 3.887 3.960 -0.073 1
1 187 . 17 1 1 A 19 19 LYS C C 19 175.944 177.406 -1.462 1
1 188 . 17 1 1 A 19 19 LYS CA C 19 55.732 57.639 -1.907 1
1 189 . 17 1 1 A 19 19 LYS CB C 19 29.818 31.557 -1.739 1
1 193 . 17 1 1 A 19 19 LYS N N 19 121.921 122.048 -0.127 1
1 194 . 17 1 1 A 20 20 GLY HA2 H 20 3.958 4.005 -0.047 1
1 195 . 17 1 1 A 20 20 GLY HA3 H 20 3.676 4.005 -0.329 1
1 196 . 17 1 1 A 20 20 GLY C C 20 171.329 174.810 -3.481 1
1 197 . 17 1 1 A 20 20 GLY CA C 20 43.304 45.188 -1.884 1
1 198 . 17 1 1 A 21 21 GLN H H 21 7.553 7.942 -0.389 1
1 199 . 17 1 1 A 21 21 GLN HA H 21 4.581 4.389 0.192 1
1 206 . 17 1 1 A 21 21 GLN C C 21 172.091 176.027 -3.936 1
1 207 . 17 1 1 A 21 21 GLN CA C 21 51.330 56.084 -4.754 1
1 208 . 17 1 1 A 21 21 GLN CB C 21 29.767 30.330 -0.563 1
1 210 . 17 1 1 A 21 21 GLN N N 21 117.269 120.575 -3.306 1
1 212 . 17 1 1 A 22 22 LEU H H 22 8.048 8.468 -0.420 1
1 213 . 17 1 1 A 22 22 LEU HA H 22 4.292 4.778 -0.486 1
1 223 . 17 1 1 A 22 22 LEU C C 22 171.986 175.153 -3.167 1
1 224 . 17 1 1 A 22 22 LEU CA C 22 50.950 52.784 -1.834 1
1 225 . 17 1 1 A 22 22 LEU CB C 22 38.362 42.370 -4.008 1
1 229 . 17 1 1 A 22 22 LEU N N 22 119.689 120.026 -0.337 1
1 230 . 17 1 1 A 23 23 PRO HA H 23 4.196 4.869 -0.673 1
1 237 . 17 1 1 A 23 23 PRO C C 23 172.331 176.377 -4.046 1
1 238 . 17 1 1 A 23 23 PRO CA C 23 59.882 62.472 -2.590 1
1 239 . 17 1 1 A 23 23 PRO CB C 23 28.948 31.341 -2.393 1
1 242 . 17 1 1 A 24 24 ASP H H 24 8.191 8.350 -0.159 1
1 243 . 17 1 1 A 24 24 ASP HA H 24 4.649 4.476 0.173 1
1 246 . 17 1 1 A 24 24 ASP C C 24 175.312 175.914 -0.602 1
1 247 . 17 1 1 A 24 24 ASP CA C 24 49.710 54.748 -5.038 1
1 248 . 17 1 1 A 24 24 ASP CB C 24 37.229 40.619 -3.390 1
1 249 . 17 1 1 A 24 24 ASP N N 24 118.307 122.026 -3.719 1
1 250 . 17 1 1 A 25 25 TYR H H 25 8.171 8.592 -0.421 1
1 251 . 17 1 1 A 25 25 TYR HA H 25 4.173 4.612 -0.439 1
1 258 . 17 1 1 A 25 25 TYR C C 25 173.720 176.257 -2.537 1
1 259 . 17 1 1 A 25 25 TYR CA C 25 57.297 58.160 -0.863 1
1 260 . 17 1 1 A 25 25 TYR CB C 25 34.897 39.613 -4.716 1
1 265 . 17 1 1 A 25 25 TYR N N 25 123.576 122.840 0.736 1
1 266 . 17 1 1 A 26 26 THR H H 26 8.278 7.796 0.482 1
1 267 . 17 1 1 A 26 26 THR HA H 26 4.343 4.642 -0.299 1
1 272 . 17 1 1 A 26 26 THR C C 26 173.145 175.373 -2.228 1
1 273 . 17 1 1 A 26 26 THR CA C 26 60.799 62.534 -1.735 1
1 274 . 17 1 1 A 26 26 THR CB C 26 67.379 70.151 -2.772 1
1 276 . 17 1 1 A 26 26 THR N N 26 109.145 109.796 -0.651 1
1 277 . 17 1 1 A 27 27 SER H H 27 7.085 8.092 -1.007 1
1 278 . 17 1 1 A 27 27 SER HA H 27 5.002 4.970 0.032 1
1 281 . 17 1 1 A 27 27 SER C C 27 169.729 171.698 -1.969 1
1 282 . 17 1 1 A 27 27 SER CA C 27 52.526 55.834 -3.308 1
1 283 . 17 1 1 A 27 27 SER CB C 27 61.215 63.949 -2.734 1
1 284 . 17 1 1 A 27 27 SER N N 27 114.134 116.734 -2.600 1
1 285 . 17 1 1 A 28 28 PRO HA H 28 4.553 4.637 -0.084 1
1 292 . 17 1 1 A 28 28 PRO C C 28 174.448 175.674 -1.226 1
1 293 . 17 1 1 A 28 28 PRO CA C 28 60.482 62.547 -2.065 1
1 294 . 17 1 1 A 28 28 PRO CB C 28 29.224 32.653 -3.429 1
1 297 . 17 1 1 A 29 29 VAL H H 29 9.191 8.323 0.868 1
1 298 . 17 1 1 A 29 29 VAL HA H 29 3.946 4.363 -0.417 1
1 306 . 17 1 1 A 29 29 VAL C C 29 172.641 174.262 -1.621 1
1 307 . 17 1 1 A 29 29 VAL CA C 29 60.367 60.890 -0.523 1
1 308 . 17 1 1 A 29 29 VAL CB C 29 30.546 33.184 -2.638 1
1 311 . 17 1 1 A 29 29 VAL N N 29 123.735 121.128 2.607 1
1 312 . 17 1 1 A 30 30 VAL H H 30 8.169 8.964 -0.795 1
1 313 . 17 1 1 A 30 30 VAL HA H 30 4.940 4.756 0.184 1
1 321 . 17 1 1 A 30 30 VAL C C 30 173.560 175.224 -1.664 1
1 322 . 17 1 1 A 30 30 VAL CA C 30 58.568 62.184 -3.616 1
1 323 . 17 1 1 A 30 30 VAL CB C 30 30.303 30.966 -0.663 1
1 326 . 17 1 1 A 30 30 VAL N N 30 125.255 130.350 -5.095 1
1 327 . 17 1 1 A 31 31 LEU H H 31 8.889 8.682 0.207 1
1 328 . 17 1 1 A 31 31 LEU HA H 31 4.816 4.744 0.072 1
1 338 . 17 1 1 A 31 31 LEU C C 31 171.113 174.767 -3.654 1
1 339 . 17 1 1 A 31 31 LEU CA C 31 48.760 52.355 -3.595 1
1 340 . 17 1 1 A 31 31 LEU CB C 31 40.938 42.201 -1.263 1
1 344 . 17 1 1 A 31 31 LEU N N 31 127.017 128.967 -1.950 1
1 345 . 17 1 1 A 32 32 PRO HA H 32 4.531 4.676 -0.145 1
1 352 . 17 1 1 A 32 32 PRO C C 32 174.294 177.545 -3.251 1
1 353 . 17 1 1 A 32 32 PRO CA C 32 59.648 62.828 -3.180 1
1 354 . 17 1 1 A 32 32 PRO CB C 32 29.349 31.665 -2.316 1
1 357 . 17 1 1 A 33 33 TYR H H 33 8.105 8.769 -0.664 1
1 358 . 17 1 1 A 33 33 TYR HA H 33 3.788 3.966 -0.178 1
1 365 . 17 1 1 A 33 33 TYR C C 33 173.470 176.998 -3.528 1
1 366 . 17 1 1 A 33 33 TYR CA C 33 58.159 62.285 -4.126 1
1 367 . 17 1 1 A 33 33 TYR CB C 33 36.244 39.019 -2.775 1
1 372 . 17 1 1 A 33 33 TYR N N 33 120.060 126.175 -6.115 1
1 373 . 17 1 1 A 34 34 SER H H 34 7.868 8.565 -0.697 1
1 374 . 17 1 1 A 34 34 SER HA H 34 3.814 4.453 -0.639 1
1 377 . 17 1 1 A 34 34 SER C C 34 171.946 174.605 -2.659 1
1 378 . 17 1 1 A 34 34 SER CA C 34 58.212 62.077 -3.865 1
1 379 . 17 1 1 A 34 34 SER CB C 34 60.928 63.187 -2.259 1
1 380 . 17 1 1 A 34 34 SER N N 34 116.733 114.970 1.763 1
1 381 . 17 1 1 A 35 35 ARG H H 35 7.883 8.327 -0.444 1
1 382 . 17 1 1 A 35 35 ARG HA H 35 4.575 4.636 -0.061 1
1 389 . 17 1 1 A 35 35 ARG C C 35 172.091 174.480 -2.389 1
1 390 . 17 1 1 A 35 35 ARG CA C 35 52.067 54.898 -2.831 1
1 391 . 17 1 1 A 35 35 ARG CB C 35 28.228 31.408 -3.180 1
1 394 . 17 1 1 A 35 35 ARG N N 35 125.492 120.548 4.944 1
1 395 . 17 1 1 A 36 36 THR H H 36 7.874 8.545 -0.671 1
1 396 . 17 1 1 A 36 36 THR HA H 36 4.613 5.375 -0.762 1
1 401 . 17 1 1 A 36 36 THR C C 36 173.095 173.392 -0.297 1
1 402 . 17 1 1 A 36 36 THR CA C 36 57.029 60.472 -3.443 1
1 403 . 17 1 1 A 36 36 THR CB C 36 66.113 70.661 -4.548 1
1 405 . 17 1 1 A 36 36 THR N N 36 107.510 114.252 -6.742 1
1 406 . 17 1 1 A 37 37 THR H H 37 8.804 8.486 0.318 1
1 407 . 17 1 1 A 37 37 THR HA H 37 5.288 4.810 0.478 1
1 412 . 17 1 1 A 37 37 THR C C 37 174.234 174.453 -0.219 1
1 413 . 17 1 1 A 37 37 THR CA C 37 59.681 60.948 -1.267 1
1 414 . 17 1 1 A 37 37 THR CB C 37 70.032 70.972 -0.940 1
1 416 . 17 1 1 A 37 37 THR N N 37 112.714 116.726 -4.012 1
1 417 . 17 1 1 A 38 38 VAL H H 38 8.269 9.131 -0.862 1
1 418 . 17 1 1 A 38 38 VAL HA H 38 3.485 3.628 -0.143 1
1 426 . 17 1 1 A 38 38 VAL C C 38 175.909 177.305 -1.396 1
1 427 . 17 1 1 A 38 38 VAL CA C 38 64.496 66.775 -2.279 1
1 428 . 17 1 1 A 38 38 VAL CB C 38 29.015 31.344 -2.329 1
1 431 . 17 1 1 A 38 38 VAL N N 38 121.372 122.649 -1.277 1
1 432 . 17 1 1 A 39 39 GLU H H 39 8.597 7.895 0.702 1
1 433 . 17 1 1 A 39 39 GLU HA H 39 3.495 3.882 -0.387 1
1 438 . 17 1 1 A 39 39 GLU C C 39 174.769 178.477 -3.708 1
1 439 . 17 1 1 A 39 39 GLU CA C 39 58.418 59.156 -0.738 1
1 440 . 17 1 1 A 39 39 GLU CB C 39 27.358 29.125 -1.767 1
1 442 . 17 1 1 A 39 39 GLU N N 39 121.954 119.103 2.851 1
1 443 . 17 1 1 A 40 40 ASP H H 40 7.493 8.114 -0.621 1
1 444 . 17 1 1 A 40 40 ASP HA H 40 4.071 4.363 -0.292 1
1 447 . 17 1 1 A 40 40 ASP C C 40 176.738 178.359 -1.621 1
1 448 . 17 1 1 A 40 40 ASP CA C 40 55.877 57.013 -1.136 1
1 449 . 17 1 1 A 40 40 ASP CB C 40 38.721 41.719 -2.998 1
1 450 . 17 1 1 A 40 40 ASP N N 40 119.054 120.433 -1.379 1
1 451 . 17 1 1 A 41 41 PHE H H 41 8.429 8.099 0.330 1
1 452 . 17 1 1 A 41 41 PHE HA H 41 3.750 4.092 -0.342 1
1 460 . 17 1 1 A 41 41 PHE C C 41 173.786 177.230 -3.444 1
1 461 . 17 1 1 A 41 41 PHE CA C 41 59.851 60.802 -0.951 1
1 462 . 17 1 1 A 41 41 PHE CB C 41 36.135 39.117 -2.982 1
1 468 . 17 1 1 A 41 41 PHE N N 41 121.017 119.496 1.521 1
1 469 . 17 1 1 A 42 42 CYS H H 42 8.527 8.122 0.405 1
1 470 . 17 1 1 A 42 42 CYS HA H 42 3.752 4.207 -0.455 1
1 473 . 17 1 1 A 42 42 CYS C C 42 174.065 177.776 -3.711 1
1 474 . 17 1 1 A 42 42 CYS CA C 42 62.453 62.630 -0.177 1
1 475 . 17 1 1 A 42 42 CYS CB C 42 24.429 26.928 -2.499 1
1 476 . 17 1 1 A 42 42 CYS N N 42 116.390 117.212 -0.822 1
1 477 . 17 1 1 A 43 43 MET H H 43 7.739 7.893 -0.154 1
1 478 . 17 1 1 A 43 43 MET HA H 43 3.885 4.189 -0.304 1
1 486 . 17 1 1 A 43 43 MET C C 43 175.345 178.696 -3.351 1
1 487 . 17 1 1 A 43 43 MET CA C 43 54.460 57.884 -3.424 1
1 488 . 17 1 1 A 43 43 MET CB C 43 28.872 31.814 -2.942 1
1 491 . 17 1 1 A 43 43 MET N N 43 114.377 119.181 -4.804 1
1 492 . 17 1 1 A 44 44 LYS H H 44 7.257 7.899 -0.642 1
1 493 . 17 1 1 A 44 44 LYS HA H 44 3.896 3.896 0.000 1
1 502 . 17 1 1 A 44 44 LYS C C 44 175.198 178.621 -3.423 1
1 503 . 17 1 1 A 44 44 LYS CA C 44 54.181 58.637 -4.456 1
1 504 . 17 1 1 A 44 44 LYS CB C 44 29.291 31.884 -2.593 1
1 508 . 17 1 1 A 44 44 LYS N N 44 117.480 119.087 -1.607 1
1 509 . 17 1 1 A 45 45 ILE H H 45 7.146 6.872 0.274 1
1 510 . 17 1 1 A 45 45 ILE HA H 45 3.697 3.918 -0.221 1
1 520 . 17 1 1 A 45 45 ILE C C 45 174.894 175.882 -0.988 1
1 521 . 17 1 1 A 45 45 ILE CA C 45 59.954 63.598 -3.644 1
1 522 . 17 1 1 A 45 45 ILE CB C 45 33.943 38.337 -4.394 1
1 526 . 17 1 1 A 45 45 ILE N N 45 119.267 117.260 2.007 1
1 527 . 17 1 1 A 46 46 HIS H H 46 7.982 7.795 0.187 1
1 528 . 17 1 1 A 46 46 HIS HA H 46 4.200 4.790 -0.590 1
1 533 . 17 1 1 A 46 46 HIS C C 46 173.349 175.948 -2.599 1
1 534 . 17 1 1 A 46 46 HIS CA C 46 56.363 55.359 1.004 1
1 535 . 17 1 1 A 46 46 HIS CB C 46 30.998 32.640 -1.642 1
1 538 . 17 1 1 A 46 46 HIS N N 46 116.498 117.560 -1.062 1
1 539 . 17 1 1 A 47 47 LYS H H 47 8.478 8.403 0.075 1
1 540 . 17 1 1 A 47 47 LYS HA H 47 4.091 3.922 0.169 1
1 545 . 17 1 1 A 47 47 LYS C C 47 174.519 176.688 -2.169 1
1 546 . 17 1 1 A 47 47 LYS CA C 47 57.279 58.437 -1.158 1
1 547 . 17 1 1 A 47 47 LYS CB C 47 29.709 31.991 -2.282 1
1 551 . 17 1 1 A 47 47 LYS N N 47 127.686 123.643 4.043 1
1 552 . 17 1 1 A 48 48 ASN H H 48 10.623 7.398 3.225 1
1 553 . 17 1 1 A 48 48 ASN HA H 48 4.839 5.150 -0.311 1
1 558 . 17 1 1 A 48 48 ASN C C 48 175.138 176.067 -0.929 1
1 559 . 17 1 1 A 48 48 ASN CA C 48 50.960 52.778 -1.818 1
1 560 . 17 1 1 A 48 48 ASN CB C 48 36.975 39.184 -2.209 1
1 561 . 17 1 1 A 48 48 ASN N N 48 118.711 117.682 1.029 1
1 563 . 17 1 1 A 49 49 LEU H H 49 7.796 7.714 0.082 1
1 564 . 17 1 1 A 49 49 LEU HA H 49 4.103 4.336 -0.233 1
1 574 . 17 1 1 A 49 49 LEU C C 49 176.976 178.221 -1.245 1
1 575 . 17 1 1 A 49 49 LEU CA C 49 56.381 57.330 -0.949 1
1 576 . 17 1 1 A 49 49 LEU CB C 49 39.064 42.463 -3.399 1
1 580 . 17 1 1 A 49 49 LEU N N 49 124.676 121.202 3.474 1
1 581 . 17 1 1 A 50 50 ILE H H 50 9.052 8.128 0.924 1
1 582 . 17 1 1 A 50 50 ILE HA H 50 4.060 3.822 0.238 1
1 592 . 17 1 1 A 50 50 ILE C C 50 173.983 177.661 -3.678 1
1 593 . 17 1 1 A 50 50 ILE CA C 50 57.842 64.000 -6.158 1
1 594 . 17 1 1 A 50 50 ILE CB C 50 35.943 37.825 -1.882 1
1 598 . 17 1 1 A 50 50 ILE N N 50 116.565 119.080 -2.515 1
1 599 . 17 1 1 A 51 51 LYS H H 51 7.275 8.110 -0.835 1
1 600 . 17 1 1 A 51 51 LYS HA H 51 4.143 4.037 0.106 1
1 609 . 17 1 1 A 51 51 LYS C C 51 175.668 178.655 -2.987 1
1 610 . 17 1 1 A 51 51 LYS CA C 51 55.696 60.191 -4.495 1
1 611 . 17 1 1 A 51 51 LYS CB C 51 29.767 32.130 -2.363 1
1 615 . 17 1 1 A 51 51 LYS N N 51 119.864 122.514 -2.650 1
1 616 . 17 1 1 A 52 52 GLU H H 52 7.590 8.072 -0.482 1
1 617 . 17 1 1 A 52 52 GLU HA H 52 4.319 4.373 -0.054 1
1 622 . 17 1 1 A 52 52 GLU C C 52 173.088 176.647 -3.559 1
1 623 . 17 1 1 A 52 52 GLU CA C 52 53.301 57.155 -3.854 1
1 624 . 17 1 1 A 52 52 GLU CB C 52 28.778 30.460 -1.682 1
1 626 . 17 1 1 A 52 52 GLU N N 52 116.453 116.614 -0.161 1
1 627 . 17 1 1 A 53 53 PHE H H 53 7.423 8.162 -0.739 1
1 628 . 17 1 1 A 53 53 PHE HA H 53 3.608 4.535 -0.927 1
1 636 . 17 1 1 A 53 53 PHE C C 53 170.946 175.406 -4.460 1
1 637 . 17 1 1 A 53 53 PHE CA C 53 57.983 59.482 -1.499 1
1 638 . 17 1 1 A 53 53 PHE CB C 53 38.913 40.060 -1.147 1
1 644 . 17 1 1 A 53 53 PHE N N 53 120.950 123.147 -2.197 1
1 645 . 17 1 1 A 54 54 LYS H H 54 8.385 8.894 -0.509 1
1 646 . 17 1 1 A 54 54 LYS HA H 54 4.268 4.141 0.127 1
1 655 . 17 1 1 A 54 54 LYS C C 54 173.038 175.216 -2.178 1
1 656 . 17 1 1 A 54 54 LYS CA C 54 55.263 57.247 -1.984 1
1 657 . 17 1 1 A 54 54 LYS CB C 54 32.730 33.801 -1.071 1
1 661 . 17 1 1 A 54 54 LYS N N 54 128.686 127.226 1.460 1
1 662 . 17 1 1 A 55 55 TYR H H 55 7.083 7.042 0.041 1
1 663 . 17 1 1 A 55 55 TYR HA H 55 4.120 4.659 -0.539 1
1 670 . 17 1 1 A 55 55 TYR C C 55 168.503 173.129 -4.626 1
1 671 . 17 1 1 A 55 55 TYR CA C 55 55.198 55.853 -0.655 1
1 672 . 17 1 1 A 55 55 TYR CB C 55 35.633 40.124 -4.491 1
1 677 . 17 1 1 A 55 55 TYR N N 55 110.963 112.922 -1.959 1
1 678 . 17 1 1 A 56 56 ALA H H 56 8.836 8.939 -0.103 1
1 679 . 17 1 1 A 56 56 ALA HA H 56 5.293 5.332 -0.039 1
1 683 . 17 1 1 A 56 56 ALA C C 56 172.993 175.973 -2.980 1
1 684 . 17 1 1 A 56 56 ALA CA C 56 47.088 50.402 -3.314 1
1 685 . 17 1 1 A 56 56 ALA CB C 56 20.287 22.662 -2.375 1
1 686 . 17 1 1 A 56 56 ALA N N 56 118.379 122.276 -3.897 1
1 687 . 17 1 1 A 57 57 LEU H H 57 8.880 8.865 0.015 1
1 688 . 17 1 1 A 57 57 LEU HA H 57 4.854 4.865 -0.011 1
1 698 . 17 1 1 A 57 57 LEU C C 57 172.904 175.563 -2.659 1
1 699 . 17 1 1 A 57 57 LEU CA C 57 50.872 53.520 -2.648 1
1 700 . 17 1 1 A 57 57 LEU CB C 57 42.160 41.206 0.954 1
1 704 . 17 1 1 A 57 57 LEU N N 57 121.382 122.286 -0.904 1
1 705 . 17 1 1 A 58 58 VAL H H 58 8.123 7.889 0.234 1
1 706 . 17 1 1 A 58 58 VAL HA H 58 5.243 4.221 1.022 1
1 714 . 17 1 1 A 58 58 VAL C C 58 171.929 175.360 -3.431 1
1 715 . 17 1 1 A 58 58 VAL CA C 58 57.683 62.892 -5.209 1
1 716 . 17 1 1 A 58 58 VAL CB C 58 33.036 32.227 0.809 1
1 719 . 17 1 1 A 58 58 VAL N N 58 120.400 124.021 -3.621 1
1 720 . 17 1 1 A 59 59 TRP H H 59 9.316 8.803 0.513 1
1 721 . 17 1 1 A 59 59 TRP HA H 59 4.843 5.080 -0.237 1
1 730 . 17 1 1 A 59 59 TRP C C 59 173.582 175.971 -2.389 1
1 731 . 17 1 1 A 59 59 TRP CA C 59 54.736 56.649 -1.913 1
1 732 . 17 1 1 A 59 59 TRP CB C 59 30.514 29.358 1.156 1
1 738 . 17 1 1 A 59 59 TRP N N 59 127.196 128.524 -1.328 1
1 740 . 17 1 1 A 60 60 GLY H H 60 8.531 8.205 0.326 1
1 741 . 17 1 1 A 60 60 GLY HA2 H 60 4.934 4.366 0.568 1
1 742 . 17 1 1 A 60 60 GLY HA3 H 60 4.123 4.381 -0.258 1
1 743 . 17 1 1 A 60 60 GLY C C 60 171.378 175.087 -3.709 1
1 744 . 17 1 1 A 60 60 GLY CA C 60 42.587 44.456 -1.869 1
1 745 . 17 1 1 A 60 60 GLY N N 60 110.481 107.981 2.500 1
1 746 . 17 1 1 A 61 61 LEU H H 61 8.188 8.959 -0.771 1
1 747 . 17 1 1 A 61 61 LEU HA H 61 4.141 4.008 0.133 1
1 757 . 17 1 1 A 61 61 LEU C C 61 176.897 179.073 -2.176 1
1 758 . 17 1 1 A 61 61 LEU CA C 61 54.357 57.327 -2.970 1
1 759 . 17 1 1 A 61 61 LEU CB C 61 39.942 41.381 -1.439 1
1 763 . 17 1 1 A 61 61 LEU N N 61 118.667 120.633 -1.966 1
1 764 . 17 1 1 A 62 62 SER H H 62 8.123 8.006 0.117 1
1 765 . 17 1 1 A 62 62 SER HA H 62 4.284 4.274 0.010 1
1 768 . 17 1 1 A 62 62 SER C C 62 171.932 174.457 -2.525 1
1 769 . 17 1 1 A 62 62 SER CA C 62 57.279 61.593 -4.314 1
1 770 . 17 1 1 A 62 62 SER CB C 62 60.354 62.729 -2.375 1
1 771 . 17 1 1 A 62 62 SER N N 62 110.946 113.502 -2.556 1
1 772 . 17 1 1 A 63 63 VAL H H 63 7.174 7.180 -0.006 1
1 773 . 17 1 1 A 63 63 VAL HA H 63 4.503 4.494 0.009 1
1 781 . 17 1 1 A 63 63 VAL C C 63 173.221 175.873 -2.652 1
1 782 . 17 1 1 A 63 63 VAL CA C 63 57.573 59.339 -1.766 1
1 783 . 17 1 1 A 63 63 VAL CB C 63 31.826 34.439 -2.613 1
1 786 . 17 1 1 A 63 63 VAL N N 63 114.625 117.062 -2.437 1
1 787 . 17 1 1 A 64 64 LYS H H 64 8.112 8.482 -0.370 1
1 788 . 17 1 1 A 64 64 LYS HA H 64 4.105 4.049 0.056 1
1 796 . 17 1 1 A 64 64 LYS C C 64 174.259 176.961 -2.702 1
1 797 . 17 1 1 A 64 64 LYS CA C 64 54.586 59.152 -4.566 1
1 798 . 17 1 1 A 64 64 LYS CB C 64 30.837 32.708 -1.871 1
1 802 . 17 1 1 A 64 64 LYS N N 64 119.722 124.661 -4.939 1
1 803 . 17 1 1 A 65 65 HIS H H 65 7.496 7.870 -0.374 1
1 804 . 17 1 1 A 65 65 HIS HA H 65 4.497 5.294 -0.797 1
1 809 . 17 1 1 A 65 65 HIS C C 65 170.028 174.489 -4.461 1
1 810 . 17 1 1 A 65 65 HIS CA C 65 52.491 54.938 -2.447 1
1 811 . 17 1 1 A 65 65 HIS CB C 65 29.149 32.082 -2.933 1
1 814 . 17 1 1 A 65 65 HIS N N 65 117.336 115.351 1.985 1
1 815 . 17 1 1 A 66 66 ASN H H 66 8.135 8.950 -0.815 1
1 816 . 17 1 1 A 66 66 ASN HA H 66 4.986 5.026 -0.040 1
1 821 . 17 1 1 A 66 66 ASN C C 66 171.088 173.046 -1.958 1
1 822 . 17 1 1 A 66 66 ASN CA C 66 47.732 49.687 -1.955 1
1 823 . 17 1 1 A 66 66 ASN CB C 66 39.365 40.504 -1.139 1
1 824 . 17 1 1 A 66 66 ASN N N 66 118.616 121.530 -2.914 1
1 826 . 17 1 1 A 67 67 PRO HA H 67 4.408 4.290 0.118 1
1 833 . 17 1 1 A 67 67 PRO C C 67 173.325 175.335 -2.010 1
1 834 . 17 1 1 A 67 67 PRO CA C 67 60.535 62.584 -2.049 1
1 835 . 17 1 1 A 67 67 PRO CB C 67 31.065 32.613 -1.548 1
1 838 . 17 1 1 A 68 68 GLN H H 68 8.323 7.900 0.423 1
1 839 . 17 1 1 A 68 68 GLN HA H 68 4.295 4.688 -0.393 1
1 846 . 17 1 1 A 68 68 GLN C C 68 172.005 173.888 -1.883 1
1 847 . 17 1 1 A 68 68 GLN CA C 68 51.805 54.778 -2.973 1
1 848 . 17 1 1 A 68 68 GLN CB C 68 30.014 32.480 -2.466 1
1 850 . 17 1 1 A 68 68 GLN N N 68 118.089 120.854 -2.765 1
1 852 . 17 1 1 A 69 69 LYS H H 69 8.268 8.390 -0.122 1
1 853 . 17 1 1 A 69 69 LYS HA H 69 4.907 4.628 0.279 1
1 862 . 17 1 1 A 69 69 LYS C C 69 174.226 176.217 -1.991 1
1 863 . 17 1 1 A 69 69 LYS CA C 69 53.598 56.062 -2.464 1
1 864 . 17 1 1 A 69 69 LYS CB C 69 30.096 33.040 -2.944 1
1 868 . 17 1 1 A 69 69 LYS N N 69 125.766 127.014 -1.248 1
1 869 . 17 1 1 A 70 70 VAL H H 70 9.409 9.085 0.324 1
1 870 . 17 1 1 A 70 70 VAL HA H 70 4.723 4.935 -0.212 1
1 878 . 17 1 1 A 70 70 VAL C C 70 172.498 176.237 -3.739 1
1 879 . 17 1 1 A 70 70 VAL CA C 70 56.680 60.108 -3.428 1
1 880 . 17 1 1 A 70 70 VAL CB C 70 33.332 33.838 -0.506 1
1 883 . 17 1 1 A 70 70 VAL N N 70 120.660 121.914 -1.254 1
1 884 . 17 1 1 A 71 71 GLY H H 71 8.445 8.412 0.033 1
1 885 . 17 1 1 A 71 71 GLY HA2 H 71 4.961 4.236 0.725 1
1 886 . 17 1 1 A 71 71 GLY HA3 H 71 3.898 4.292 -0.394 1
1 887 . 17 1 1 A 71 71 GLY C C 71 172.669 175.041 -2.372 1
1 888 . 17 1 1 A 71 71 GLY CA C 71 40.896 44.715 -3.819 1
1 889 . 17 1 1 A 71 71 GLY N N 71 106.755 109.495 -2.740 1
1 890 . 17 1 1 A 72 72 LYS H H 72 8.573 8.726 -0.153 1
1 891 . 17 1 1 A 72 72 LYS HA H 72 3.454 4.356 -0.902 1
1 900 . 17 1 1 A 72 72 LYS C C 72 172.853 177.743 -4.890 1
1 901 . 17 1 1 A 72 72 LYS CA C 72 56.108 57.554 -1.446 1
1 902 . 17 1 1 A 72 72 LYS CB C 72 29.993 33.552 -3.559 1
1 906 . 17 1 1 A 72 72 LYS N N 72 114.685 118.718 -4.033 1
1 907 . 17 1 1 A 73 73 ASP H H 73 8.517 7.919 0.598 1
1 908 . 17 1 1 A 73 73 ASP HA H 73 4.543 4.689 -0.146 1
1 911 . 17 1 1 A 73 73 ASP C C 73 173.041 175.994 -2.953 1
1 912 . 17 1 1 A 73 73 ASP CA C 73 51.118 54.383 -3.265 1
1 913 . 17 1 1 A 73 73 ASP CB C 73 38.311 41.197 -2.886 1
1 914 . 17 1 1 A 73 73 ASP N N 73 115.449 119.429 -3.980 1
1 915 . 17 1 1 A 74 74 HIS H H 74 7.173 7.672 -0.499 1
1 916 . 17 1 1 A 74 74 HIS HA H 74 4.084 4.442 -0.358 1
1 921 . 17 1 1 A 74 74 HIS C C 74 172.466 175.038 -2.572 1
1 922 . 17 1 1 A 74 74 HIS CA C 74 55.483 57.092 -1.609 1
1 923 . 17 1 1 A 74 74 HIS CB C 74 29.868 30.274 -0.406 1
1 926 . 17 1 1 A 74 74 HIS N N 74 120.387 119.912 0.475 1
1 927 . 17 1 1 A 75 75 THR H H 75 7.573 8.345 -0.772 1
1 928 . 17 1 1 A 75 75 THR HA H 75 3.562 4.302 -0.740 1
1 933 . 17 1 1 A 75 75 THR C C 75 170.555 174.001 -3.446 1
1 934 . 17 1 1 A 75 75 THR CA C 75 61.656 62.687 -1.031 1
1 935 . 17 1 1 A 75 75 THR CB C 75 66.449 69.097 -2.648 1
1 937 . 17 1 1 A 75 75 THR N N 75 123.519 120.857 2.662 1
1 938 . 17 1 1 A 76 76 LEU H H 76 8.300 8.462 -0.162 1
1 939 . 17 1 1 A 76 76 LEU HA H 76 4.187 4.620 -0.433 1
1 949 . 17 1 1 A 76 76 LEU C C 76 174.153 176.309 -2.156 1
1 950 . 17 1 1 A 76 76 LEU CA C 76 52.201 53.918 -1.717 1
1 951 . 17 1 1 A 76 76 LEU CB C 76 40.188 42.807 -2.619 1
1 955 . 17 1 1 A 76 76 LEU N N 76 127.705 127.352 0.353 1
1 956 . 17 1 1 A 77 77 GLU H H 77 9.006 8.852 0.154 1
1 957 . 17 1 1 A 77 77 GLU HA H 77 4.295 4.716 -0.421 1
1 962 . 17 1 1 A 77 77 GLU C C 77 172.035 175.824 -3.789 1
1 963 . 17 1 1 A 77 77 GLU CA C 77 51.734 54.322 -2.588 1
1 964 . 17 1 1 A 77 77 GLU CB C 77 30.671 32.487 -1.816 1
1 966 . 17 1 1 A 77 77 GLU N N 77 120.330 121.644 -1.314 1
1 967 . 17 1 1 A 78 78 ASP H H 78 8.375 8.681 -0.306 1
1 968 . 17 1 1 A 78 78 ASP HA H 78 4.289 4.479 -0.190 1
1 971 . 17 1 1 A 78 78 ASP C C 78 174.522 175.986 -1.464 1
1 972 . 17 1 1 A 78 78 ASP CA C 78 54.779 54.923 -0.144 1
1 973 . 17 1 1 A 78 78 ASP CB C 78 39.200 40.705 -1.505 1
1 974 . 17 1 1 A 78 78 ASP N N 78 116.751 122.838 -6.087 1
1 975 . 17 1 1 A 79 79 GLU H H 79 9.867 8.964 0.903 1
1 976 . 17 1 1 A 79 79 GLU HA H 79 3.685 3.930 -0.245 1
1 981 . 17 1 1 A 79 79 GLU C C 79 172.755 174.805 -2.050 1
1 982 . 17 1 1 A 79 79 GLU CA C 79 57.384 57.368 0.016 1
1 983 . 17 1 1 A 79 79 GLU CB C 79 24.429 27.839 -3.410 1
1 985 . 17 1 1 A 79 79 GLU N N 79 119.409 116.701 2.708 1
1 986 . 17 1 1 A 80 80 ASP H H 80 8.212 7.187 1.025 1
1 987 . 17 1 1 A 80 80 ASP HA H 80 4.833 5.380 -0.547 1
1 990 . 17 1 1 A 80 80 ASP C C 80 171.935 174.887 -2.952 1
1 991 . 17 1 1 A 80 80 ASP CA C 80 53.900 53.248 0.652 1
1 992 . 17 1 1 A 80 80 ASP CB C 80 39.633 44.270 -4.637 1
1 993 . 17 1 1 A 80 80 ASP N N 80 121.227 117.543 3.684 1
1 994 . 17 1 1 A 81 81 VAL H H 81 8.638 9.144 -0.506 1
1 995 . 17 1 1 A 81 81 VAL HA H 81 5.055 5.281 -0.226 1
1 1003 . 17 1 1 A 81 81 VAL C C 81 172.826 174.727 -1.901 1
1 1004 . 17 1 1 A 81 81 VAL CA C 81 57.723 62.219 -4.496 1
1 1005 . 17 1 1 A 81 81 VAL CB C 81 31.767 32.933 -1.166 1
1 1008 . 17 1 1 A 81 81 VAL N N 81 118.946 123.967 -5.021 1
1 1009 . 17 1 1 A 82 82 ILE H H 82 9.007 8.638 0.369 1
1 1010 . 17 1 1 A 82 82 ILE HA H 82 5.789 4.913 0.876 1
1 1020 . 17 1 1 A 82 82 ILE C C 82 170.143 173.618 -3.475 1
1 1021 . 17 1 1 A 82 82 ILE CA C 82 55.824 59.239 -3.415 1
1 1022 . 17 1 1 A 82 82 ILE CB C 82 41.574 41.423 0.151 1
1 1026 . 17 1 1 A 82 82 ILE N N 82 124.391 129.065 -4.674 1
1 1027 . 17 1 1 A 83 83 GLN H H 83 9.415 8.949 0.466 1
1 1028 . 17 1 1 A 83 83 GLN HA H 83 4.815 4.809 0.006 1
1 1035 . 17 1 1 A 83 83 GLN C C 83 172.719 174.556 -1.837 1
1 1036 . 17 1 1 A 83 83 GLN CA C 83 52.016 54.814 -2.798 1
1 1037 . 17 1 1 A 83 83 GLN CB C 83 32.094 29.707 2.387 1
1 1039 . 17 1 1 A 83 83 GLN N N 83 127.774 130.162 -2.388 1
1 1041 . 17 1 1 A 84 84 ILE H H 84 8.878 8.446 0.432 1
1 1042 . 17 1 1 A 84 84 ILE HA H 84 4.074 4.412 -0.338 1
1 1052 . 17 1 1 A 84 84 ILE C C 84 173.096 175.836 -2.740 1
1 1053 . 17 1 1 A 84 84 ILE CA C 84 57.372 61.739 -4.367 1
1 1054 . 17 1 1 A 84 84 ILE CB C 84 34.771 37.289 -2.518 1
1 1058 . 17 1 1 A 84 84 ILE N N 84 126.673 126.890 -0.217 1
1 1059 . 17 1 1 A 85 85 VAL H H 85 8.562 8.277 0.285 1
1 1060 . 17 1 1 A 85 85 VAL HA H 85 3.914 4.793 -0.879 1
1 1068 . 17 1 1 A 85 85 VAL C C 85 172.438 174.443 -2.005 1
1 1069 . 17 1 1 A 85 85 VAL CA C 85 60.112 59.798 0.314 1
1 1070 . 17 1 1 A 85 85 VAL CB C 85 28.964 33.031 -4.067 1
1 1073 . 17 1 1 A 85 85 VAL N N 85 130.400 123.237 7.163 1
1 1074 . 17 1 1 A 86 86 LYS H H 86 8.399 8.630 -0.231 1
1 1075 . 17 1 1 A 86 86 LYS HA H 86 4.640 5.046 -0.406 1
1 1084 . 17 1 1 A 86 86 LYS C C 86 174.388 176.581 -2.193 1
1 1085 . 17 1 1 A 86 86 LYS CA C 86 53.301 54.572 -1.271 1
1 1086 . 17 1 1 A 86 86 LYS CB C 86 32.587 34.998 -2.411 1
1 1090 . 17 1 1 A 86 86 LYS N N 86 126.582 122.779 3.803 1
1 1091 . 17 1 1 A 87 87 LYS H H 87 8.485 8.407 0.078 1
1 1092 . 17 1 1 A 87 87 LYS HA H 87 3.923 4.302 -0.379 1
1 1101 . 17 1 1 A 87 87 LYS C C 87 174.196 175.748 -1.552 1
1 1102 . 17 1 1 A 87 87 LYS CA C 87 55.171 55.590 -0.419 1
1 1103 . 17 1 1 A 87 87 LYS CB C 87 31.274 33.107 -1.833 1
1 1107 . 17 1 1 A 87 87 LYS N N 87 119.203 124.212 -5.009 1
1 1108 . 17 1 1 A 89 89 GLY HA2 H 89 4.034 4.030 0.004 1
1 1109 . 17 1 1 A 89 89 GLY HA3 H 89 4.034 4.031 0.003 1
1 1110 . 17 1 1 A 89 89 GLY CA C 89 42.366 44.756 -2.390 1
1 1111 . 17 1 1 A 90 90 PRO HA H 90 4.369 4.487 -0.118 1
1 1118 . 17 1 1 A 90 90 PRO CA C 90 61.070 63.897 -2.827 1
1 1119 . 17 1 1 A 90 90 PRO CB C 90 29.818 31.951 -2.133 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.759 3.833 -0.074 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.759 4.016 -0.257 1
1 3 . 18 1 1 A 7 7 GLY C C 7 171.455 173.431 -1.976 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 42.980 45.848 -2.868 1
1 5 . 18 1 1 A 8 8 TYR H H 8 7.813 7.875 -0.062 1
1 6 . 18 1 1 A 8 8 TYR HA H 8 4.391 4.576 -0.185 1
1 13 . 18 1 1 A 8 8 TYR C C 8 173.043 175.805 -2.762 1
1 14 . 18 1 1 A 8 8 TYR CA C 8 55.501 58.113 -2.612 1
1 15 . 18 1 1 A 8 8 TYR CB C 8 36.317 38.588 -2.271 1
1 20 . 18 1 1 A 8 8 TYR N N 8 119.411 125.222 -5.811 1
1 21 . 18 1 1 A 9 9 LEU H H 9 7.861 7.495 0.366 1
1 22 . 18 1 1 A 9 9 LEU HA H 9 4.118 4.428 -0.310 1
1 32 . 18 1 1 A 9 9 LEU C C 9 173.714 175.236 -1.522 1
1 33 . 18 1 1 A 9 9 LEU CA C 9 52.544 54.676 -2.132 1
1 34 . 18 1 1 A 9 9 LEU CB C 9 40.106 41.773 -1.667 1
1 38 . 18 1 1 A 9 9 LEU N N 9 123.594 123.460 0.134 1
1 39 . 18 1 1 A 10 10 LYS H H 10 7.976 8.360 -0.384 1
1 40 . 18 1 1 A 10 10 LYS HA H 10 4.108 4.668 -0.560 1
1 49 . 18 1 1 A 10 10 LYS C C 10 172.845 175.224 -2.379 1
1 50 . 18 1 1 A 10 10 LYS CA C 10 54.150 55.440 -1.290 1
1 51 . 18 1 1 A 10 10 LYS CB C 10 30.736 33.645 -2.909 1
1 55 . 18 1 1 A 10 10 LYS N N 10 122.047 128.057 -6.010 1
1 56 . 18 1 1 A 11 11 LEU H H 11 8.102 8.708 -0.606 1
1 57 . 18 1 1 A 11 11 LEU HA H 11 4.711 5.099 -0.388 1
1 67 . 18 1 1 A 11 11 LEU C C 11 173.849 175.550 -1.701 1
1 68 . 18 1 1 A 11 11 LEU CA C 11 51.523 53.495 -1.972 1
1 69 . 18 1 1 A 11 11 LEU CB C 11 41.767 44.659 -2.892 1
1 73 . 18 1 1 A 11 11 LEU N N 11 123.872 124.982 -1.110 1
1 74 . 18 1 1 A 12 12 VAL H H 12 8.956 9.225 -0.269 1
1 75 . 18 1 1 A 12 12 VAL HA H 12 4.044 4.598 -0.554 1
1 83 . 18 1 1 A 12 12 VAL C C 12 171.356 175.072 -3.716 1
1 84 . 18 1 1 A 12 12 VAL CA C 12 59.549 61.400 -1.851 1
1 85 . 18 1 1 A 12 12 VAL CB C 12 31.500 32.889 -1.389 1
1 88 . 18 1 1 A 12 12 VAL N N 12 122.036 125.316 -3.280 1
1 89 . 18 1 1 A 13 13 ARG H H 13 9.211 8.959 0.252 1
1 90 . 18 1 1 A 13 13 ARG HA H 13 4.434 4.740 -0.306 1
1 98 . 18 1 1 A 13 13 ARG C C 13 171.964 175.376 -3.412 1
1 99 . 18 1 1 A 13 13 ARG CA C 13 52.791 55.923 -3.132 1
1 100 . 18 1 1 A 13 13 ARG CB C 13 29.067 30.817 -1.750 1
1 103 . 18 1 1 A 13 13 ARG N N 13 125.178 127.046 -1.868 1
1 105 . 18 1 1 A 14 14 ILE H H 14 8.811 8.668 0.143 1
1 106 . 18 1 1 A 14 14 ILE HA H 14 4.592 4.691 -0.099 1
1 116 . 18 1 1 A 14 14 ILE C C 14 173.197 174.218 -1.021 1
1 117 . 18 1 1 A 14 14 ILE CA C 14 55.308 60.092 -4.784 1
1 118 . 18 1 1 A 14 14 ILE CB C 14 36.411 40.852 -4.441 1
1 122 . 18 1 1 A 14 14 ILE N N 14 122.061 123.436 -1.375 1
1 123 . 18 1 1 A 15 15 TYR H H 15 8.781 9.048 -0.267 1
1 124 . 18 1 1 A 15 15 TYR HA H 15 5.103 4.914 0.189 1
1 131 . 18 1 1 A 15 15 TYR C C 15 172.764 175.234 -2.470 1
1 132 . 18 1 1 A 15 15 TYR CA C 15 53.740 56.929 -3.189 1
1 133 . 18 1 1 A 15 15 TYR CB C 15 37.340 37.502 -0.162 1
1 138 . 18 1 1 A 15 15 TYR N N 15 125.241 127.155 -1.914 1
1 139 . 18 1 1 A 16 16 THR H H 16 8.961 8.940 0.021 1
1 140 . 18 1 1 A 16 16 THR HA H 16 4.806 4.622 0.184 1
1 145 . 18 1 1 A 16 16 THR C C 16 171.478 173.135 -1.657 1
1 146 . 18 1 1 A 16 16 THR CA C 16 59.180 63.053 -3.873 1
1 147 . 18 1 1 A 16 16 THR CB C 16 68.174 69.787 -1.613 1
1 149 . 18 1 1 A 16 16 THR N N 16 116.007 121.045 -5.038 1
1 150 . 18 1 1 A 17 17 LYS H H 17 8.397 8.898 -0.501 1
1 151 . 18 1 1 A 17 17 LYS HA H 17 4.446 4.887 -0.441 1
1 160 . 18 1 1 A 17 17 LYS C C 17 170.870 175.662 -4.792 1
1 161 . 18 1 1 A 17 17 LYS CA C 17 50.238 52.822 -2.584 1
1 162 . 18 1 1 A 17 17 LYS CB C 17 32.677 35.345 -2.668 1
1 166 . 18 1 1 A 17 17 LYS N N 17 125.122 128.622 -3.500 1
1 167 . 18 1 1 A 18 18 PRO HA H 18 4.474 4.654 -0.180 1
1 174 . 18 1 1 A 18 18 PRO C C 18 174.170 175.383 -1.213 1
1 175 . 18 1 1 A 18 18 PRO CA C 18 59.250 62.216 -2.966 1
1 176 . 18 1 1 A 18 18 PRO CB C 18 29.517 33.082 -3.565 1
1 179 . 18 1 1 A 19 19 LYS H H 19 8.467 8.452 0.015 1
1 180 . 18 1 1 A 19 19 LYS HA H 19 3.887 4.611 -0.724 1
1 187 . 18 1 1 A 19 19 LYS C C 19 175.944 177.298 -1.354 1
1 188 . 18 1 1 A 19 19 LYS CA C 19 55.732 55.622 0.110 1
1 189 . 18 1 1 A 19 19 LYS CB C 19 29.818 31.342 -1.524 1
1 193 . 18 1 1 A 19 19 LYS N N 19 121.921 120.757 1.164 1
1 194 . 18 1 1 A 20 20 GLY HA2 H 20 3.958 4.007 -0.049 1
1 195 . 18 1 1 A 20 20 GLY HA3 H 20 3.676 4.009 -0.333 1
1 196 . 18 1 1 A 20 20 GLY C C 20 171.329 174.194 -2.865 1
1 197 . 18 1 1 A 20 20 GLY CA C 20 43.304 45.124 -1.820 1
1 198 . 18 1 1 A 21 21 GLN H H 21 7.553 7.855 -0.302 1
1 199 . 18 1 1 A 21 21 GLN HA H 21 4.581 4.406 0.175 1
1 206 . 18 1 1 A 21 21 GLN C C 21 172.091 175.451 -3.360 1
1 207 . 18 1 1 A 21 21 GLN CA C 21 51.330 55.392 -4.062 1
1 208 . 18 1 1 A 21 21 GLN CB C 21 29.767 30.274 -0.507 1
1 210 . 18 1 1 A 21 21 GLN N N 21 117.269 121.582 -4.313 1
1 212 . 18 1 1 A 22 22 LEU H H 22 8.048 8.485 -0.437 1
1 213 . 18 1 1 A 22 22 LEU HA H 22 4.292 4.670 -0.378 1
1 223 . 18 1 1 A 22 22 LEU C C 22 171.986 174.813 -2.827 1
1 224 . 18 1 1 A 22 22 LEU CA C 22 50.950 52.805 -1.855 1
1 225 . 18 1 1 A 22 22 LEU CB C 22 38.362 41.112 -2.750 1
1 229 . 18 1 1 A 22 22 LEU N N 22 119.689 124.285 -4.596 1
1 230 . 18 1 1 A 23 23 PRO HA H 23 4.196 4.487 -0.291 1
1 237 . 18 1 1 A 23 23 PRO C C 23 172.331 176.604 -4.273 1
1 238 . 18 1 1 A 23 23 PRO CA C 23 59.882 62.562 -2.680 1
1 239 . 18 1 1 A 23 23 PRO CB C 23 28.948 31.541 -2.593 1
1 242 . 18 1 1 A 24 24 ASP H H 24 8.191 8.391 -0.200 1
1 243 . 18 1 1 A 24 24 ASP HA H 24 4.649 4.573 0.076 1
1 246 . 18 1 1 A 24 24 ASP C C 24 175.312 175.967 -0.655 1
1 247 . 18 1 1 A 24 24 ASP CA C 24 49.710 54.701 -4.991 1
1 248 . 18 1 1 A 24 24 ASP CB C 24 37.229 40.742 -3.513 1
1 249 . 18 1 1 A 24 24 ASP N N 24 118.307 122.093 -3.786 1
1 250 . 18 1 1 A 25 25 TYR H H 25 8.171 8.715 -0.544 1
1 251 . 18 1 1 A 25 25 TYR HA H 25 4.173 4.601 -0.428 1
1 258 . 18 1 1 A 25 25 TYR C C 25 173.720 176.362 -2.642 1
1 259 . 18 1 1 A 25 25 TYR CA C 25 57.297 58.128 -0.831 1
1 260 . 18 1 1 A 25 25 TYR CB C 25 34.897 38.286 -3.389 1
1 265 . 18 1 1 A 25 25 TYR N N 25 123.576 123.511 0.065 1
1 266 . 18 1 1 A 26 26 THR H H 26 8.278 7.898 0.380 1
1 267 . 18 1 1 A 26 26 THR HA H 26 4.343 4.700 -0.357 1
1 272 . 18 1 1 A 26 26 THR C C 26 173.145 174.013 -0.868 1
1 273 . 18 1 1 A 26 26 THR CA C 26 60.799 61.462 -0.663 1
1 274 . 18 1 1 A 26 26 THR CB C 26 67.379 70.237 -2.858 1
1 276 . 18 1 1 A 26 26 THR N N 26 109.145 110.263 -1.118 1
1 277 . 18 1 1 A 27 27 SER H H 27 7.085 8.043 -0.958 1
1 278 . 18 1 1 A 27 27 SER HA H 27 5.002 4.937 0.065 1
1 281 . 18 1 1 A 27 27 SER C C 27 169.729 172.163 -2.434 1
1 282 . 18 1 1 A 27 27 SER CA C 27 52.526 56.035 -3.509 1
1 283 . 18 1 1 A 27 27 SER CB C 27 61.215 63.745 -2.530 1
1 284 . 18 1 1 A 27 27 SER N N 27 114.134 117.795 -3.661 1
1 285 . 18 1 1 A 28 28 PRO HA H 28 4.553 4.615 -0.062 1
1 292 . 18 1 1 A 28 28 PRO C C 28 174.448 175.531 -1.083 1
1 293 . 18 1 1 A 28 28 PRO CA C 28 60.482 62.603 -2.121 1
1 294 . 18 1 1 A 28 28 PRO CB C 28 29.224 32.660 -3.436 1
1 297 . 18 1 1 A 29 29 VAL H H 29 9.191 8.206 0.985 1
1 298 . 18 1 1 A 29 29 VAL HA H 29 3.946 4.478 -0.532 1
1 306 . 18 1 1 A 29 29 VAL C C 29 172.641 174.220 -1.579 1
1 307 . 18 1 1 A 29 29 VAL CA C 29 60.367 60.718 -0.351 1
1 308 . 18 1 1 A 29 29 VAL CB C 29 30.546 33.522 -2.976 1
1 311 . 18 1 1 A 29 29 VAL N N 29 123.735 121.072 2.663 1
1 312 . 18 1 1 A 30 30 VAL H H 30 8.169 8.725 -0.556 1
1 313 . 18 1 1 A 30 30 VAL HA H 30 4.940 4.292 0.648 1
1 321 . 18 1 1 A 30 30 VAL C C 30 173.560 175.353 -1.793 1
1 322 . 18 1 1 A 30 30 VAL CA C 30 58.568 62.690 -4.122 1
1 323 . 18 1 1 A 30 30 VAL CB C 30 30.303 31.203 -0.900 1
1 326 . 18 1 1 A 30 30 VAL N N 30 125.255 130.476 -5.221 1
1 327 . 18 1 1 A 31 31 LEU H H 31 8.889 8.822 0.067 1
1 328 . 18 1 1 A 31 31 LEU HA H 31 4.816 4.758 0.058 1
1 338 . 18 1 1 A 31 31 LEU C C 31 171.113 174.734 -3.621 1
1 339 . 18 1 1 A 31 31 LEU CA C 31 48.760 52.161 -3.401 1
1 340 . 18 1 1 A 31 31 LEU CB C 31 40.938 42.814 -1.876 1
1 344 . 18 1 1 A 31 31 LEU N N 31 127.017 128.790 -1.773 1
1 345 . 18 1 1 A 32 32 PRO HA H 32 4.531 4.708 -0.177 1
1 352 . 18 1 1 A 32 32 PRO C C 32 174.294 177.540 -3.246 1
1 353 . 18 1 1 A 32 32 PRO CA C 32 59.648 62.780 -3.132 1
1 354 . 18 1 1 A 32 32 PRO CB C 32 29.349 31.732 -2.383 1
1 357 . 18 1 1 A 33 33 TYR H H 33 8.105 8.591 -0.486 1
1 358 . 18 1 1 A 33 33 TYR HA H 33 3.788 3.986 -0.198 1
1 365 . 18 1 1 A 33 33 TYR C C 33 173.470 177.235 -3.765 1
1 366 . 18 1 1 A 33 33 TYR CA C 33 58.159 62.296 -4.137 1
1 367 . 18 1 1 A 33 33 TYR CB C 33 36.244 39.279 -3.035 1
1 372 . 18 1 1 A 33 33 TYR N N 33 120.060 126.620 -6.560 1
1 373 . 18 1 1 A 34 34 SER H H 34 7.868 8.336 -0.468 1
1 374 . 18 1 1 A 34 34 SER HA H 34 3.814 4.190 -0.376 1
1 377 . 18 1 1 A 34 34 SER C C 34 171.946 174.205 -2.259 1
1 378 . 18 1 1 A 34 34 SER CA C 34 58.212 61.413 -3.201 1
1 379 . 18 1 1 A 34 34 SER CB C 34 60.928 63.178 -2.250 1
1 380 . 18 1 1 A 34 34 SER N N 34 116.733 114.407 2.326 1
1 381 . 18 1 1 A 35 35 ARG H H 35 7.883 7.807 0.076 1
1 382 . 18 1 1 A 35 35 ARG HA H 35 4.575 4.695 -0.120 1
1 389 . 18 1 1 A 35 35 ARG C C 35 172.091 174.767 -2.676 1
1 390 . 18 1 1 A 35 35 ARG CA C 35 52.067 54.844 -2.777 1
1 391 . 18 1 1 A 35 35 ARG CB C 35 28.228 31.340 -3.112 1
1 394 . 18 1 1 A 35 35 ARG N N 35 125.492 119.069 6.423 1
1 395 . 18 1 1 A 36 36 THR H H 36 7.874 8.594 -0.720 1
1 396 . 18 1 1 A 36 36 THR HA H 36 4.613 5.244 -0.631 1
1 401 . 18 1 1 A 36 36 THR C C 36 173.095 173.353 -0.258 1
1 402 . 18 1 1 A 36 36 THR CA C 36 57.029 60.525 -3.496 1
1 403 . 18 1 1 A 36 36 THR CB C 36 66.113 70.915 -4.802 1
1 405 . 18 1 1 A 36 36 THR N N 36 107.510 114.562 -7.052 1
1 406 . 18 1 1 A 37 37 THR H H 37 8.804 8.430 0.374 1
1 407 . 18 1 1 A 37 37 THR HA H 37 5.288 4.611 0.677 1
1 412 . 18 1 1 A 37 37 THR C C 37 174.234 174.476 -0.242 1
1 413 . 18 1 1 A 37 37 THR CA C 37 59.681 60.386 -0.705 1
1 414 . 18 1 1 A 37 37 THR CB C 37 70.032 70.880 -0.848 1
1 416 . 18 1 1 A 37 37 THR N N 37 112.714 116.782 -4.068 1
1 417 . 18 1 1 A 38 38 VAL H H 38 8.269 8.991 -0.722 1
1 418 . 18 1 1 A 38 38 VAL HA H 38 3.485 3.653 -0.168 1
1 426 . 18 1 1 A 38 38 VAL C C 38 175.909 177.401 -1.492 1
1 427 . 18 1 1 A 38 38 VAL CA C 38 64.496 66.895 -2.399 1
1 428 . 18 1 1 A 38 38 VAL CB C 38 29.015 31.486 -2.471 1
1 431 . 18 1 1 A 38 38 VAL N N 38 121.372 122.639 -1.267 1
1 432 . 18 1 1 A 39 39 GLU H H 39 8.597 7.697 0.900 1
1 433 . 18 1 1 A 39 39 GLU HA H 39 3.495 3.886 -0.391 1
1 438 . 18 1 1 A 39 39 GLU C C 39 174.769 178.662 -3.893 1
1 439 . 18 1 1 A 39 39 GLU CA C 39 58.418 59.190 -0.772 1
1 440 . 18 1 1 A 39 39 GLU CB C 39 27.358 29.178 -1.820 1
1 442 . 18 1 1 A 39 39 GLU N N 39 121.954 119.135 2.819 1
1 443 . 18 1 1 A 40 40 ASP H H 40 7.493 8.024 -0.531 1
1 444 . 18 1 1 A 40 40 ASP HA H 40 4.071 4.134 -0.063 1
1 447 . 18 1 1 A 40 40 ASP C C 40 176.738 179.042 -2.304 1
1 448 . 18 1 1 A 40 40 ASP CA C 40 55.877 57.785 -1.908 1
1 449 . 18 1 1 A 40 40 ASP CB C 40 38.721 40.560 -1.839 1
1 450 . 18 1 1 A 40 40 ASP N N 40 119.054 120.211 -1.157 1
1 451 . 18 1 1 A 41 41 PHE H H 41 8.429 8.113 0.316 1
1 452 . 18 1 1 A 41 41 PHE HA H 41 3.750 4.103 -0.353 1
1 460 . 18 1 1 A 41 41 PHE C C 41 173.786 177.407 -3.621 1
1 461 . 18 1 1 A 41 41 PHE CA C 41 59.851 60.944 -1.093 1
1 462 . 18 1 1 A 41 41 PHE CB C 41 36.135 39.046 -2.911 1
1 468 . 18 1 1 A 41 41 PHE N N 41 121.017 122.091 -1.074 1
1 469 . 18 1 1 A 42 42 CYS H H 42 8.527 8.150 0.377 1
1 470 . 18 1 1 A 42 42 CYS HA H 42 3.752 4.382 -0.630 1
1 473 . 18 1 1 A 42 42 CYS C C 42 174.065 177.617 -3.552 1
1 474 . 18 1 1 A 42 42 CYS CA C 42 62.453 61.919 0.534 1
1 475 . 18 1 1 A 42 42 CYS CB C 42 24.429 26.774 -2.345 1
1 476 . 18 1 1 A 42 42 CYS N N 42 116.390 116.951 -0.561 1
1 477 . 18 1 1 A 43 43 MET H H 43 7.739 7.501 0.238 1
1 478 . 18 1 1 A 43 43 MET HA H 43 3.885 4.277 -0.392 1
1 486 . 18 1 1 A 43 43 MET C C 43 175.345 178.513 -3.168 1
1 487 . 18 1 1 A 43 43 MET CA C 43 54.460 57.814 -3.354 1
1 488 . 18 1 1 A 43 43 MET CB C 43 28.872 32.311 -3.439 1
1 491 . 18 1 1 A 43 43 MET N N 43 114.377 119.686 -5.309 1
1 492 . 18 1 1 A 44 44 LYS H H 44 7.257 7.645 -0.388 1
1 493 . 18 1 1 A 44 44 LYS HA H 44 3.896 3.921 -0.025 1
1 502 . 18 1 1 A 44 44 LYS C C 44 175.198 178.811 -3.613 1
1 503 . 18 1 1 A 44 44 LYS CA C 44 54.181 58.719 -4.538 1
1 504 . 18 1 1 A 44 44 LYS CB C 44 29.291 32.037 -2.746 1
1 508 . 18 1 1 A 44 44 LYS N N 44 117.480 118.754 -1.274 1
1 509 . 18 1 1 A 45 45 ILE H H 45 7.146 6.966 0.180 1
1 510 . 18 1 1 A 45 45 ILE HA H 45 3.697 3.910 -0.213 1
1 520 . 18 1 1 A 45 45 ILE C C 45 174.894 176.318 -1.424 1
1 521 . 18 1 1 A 45 45 ILE CA C 45 59.954 63.690 -3.736 1
1 522 . 18 1 1 A 45 45 ILE CB C 45 33.943 38.710 -4.767 1
1 526 . 18 1 1 A 45 45 ILE N N 45 119.267 117.586 1.681 1
1 527 . 18 1 1 A 46 46 HIS H H 46 7.982 7.714 0.268 1
1 528 . 18 1 1 A 46 46 HIS HA H 46 4.200 4.811 -0.611 1
1 533 . 18 1 1 A 46 46 HIS C C 46 173.349 175.087 -1.738 1
1 534 . 18 1 1 A 46 46 HIS CA C 46 56.363 55.968 0.395 1
1 535 . 18 1 1 A 46 46 HIS CB C 46 30.998 32.469 -1.471 1
1 538 . 18 1 1 A 46 46 HIS N N 46 116.498 117.203 -0.705 1
1 539 . 18 1 1 A 47 47 LYS H H 47 8.478 8.635 -0.157 1
1 540 . 18 1 1 A 47 47 LYS HA H 47 4.091 3.773 0.318 1
1 545 . 18 1 1 A 47 47 LYS C C 47 174.519 177.351 -2.832 1
1 546 . 18 1 1 A 47 47 LYS CA C 47 57.279 59.312 -2.033 1
1 547 . 18 1 1 A 47 47 LYS CB C 47 29.709 32.292 -2.583 1
1 551 . 18 1 1 A 47 47 LYS N N 47 127.686 125.994 1.692 1
1 552 . 18 1 1 A 48 48 ASN H H 48 10.623 7.352 3.271 1
1 553 . 18 1 1 A 48 48 ASN HA H 48 4.839 5.130 -0.291 1
1 558 . 18 1 1 A 48 48 ASN C C 48 175.138 176.025 -0.887 1
1 559 . 18 1 1 A 48 48 ASN CA C 48 50.960 52.814 -1.854 1
1 560 . 18 1 1 A 48 48 ASN CB C 48 36.975 39.356 -2.381 1
1 561 . 18 1 1 A 48 48 ASN N N 48 118.711 115.968 2.743 1
1 563 . 18 1 1 A 49 49 LEU H H 49 7.796 8.157 -0.361 1
1 564 . 18 1 1 A 49 49 LEU HA H 49 4.103 4.374 -0.271 1
1 574 . 18 1 1 A 49 49 LEU C C 49 176.976 178.146 -1.170 1
1 575 . 18 1 1 A 49 49 LEU CA C 49 56.381 57.048 -0.667 1
1 576 . 18 1 1 A 49 49 LEU CB C 49 39.064 42.905 -3.841 1
1 580 . 18 1 1 A 49 49 LEU N N 49 124.676 120.678 3.998 1
1 581 . 18 1 1 A 50 50 ILE H H 50 9.052 8.132 0.920 1
1 582 . 18 1 1 A 50 50 ILE HA H 50 4.060 3.849 0.211 1
1 592 . 18 1 1 A 50 50 ILE C C 50 173.983 177.894 -3.911 1
1 593 . 18 1 1 A 50 50 ILE CA C 50 57.842 63.177 -5.335 1
1 594 . 18 1 1 A 50 50 ILE CB C 50 35.943 37.550 -1.607 1
1 598 . 18 1 1 A 50 50 ILE N N 50 116.565 119.291 -2.726 1
1 599 . 18 1 1 A 51 51 LYS H H 51 7.275 8.060 -0.785 1
1 600 . 18 1 1 A 51 51 LYS HA H 51 4.143 4.143 0.000 1
1 609 . 18 1 1 A 51 51 LYS C C 51 175.668 177.950 -2.282 1
1 610 . 18 1 1 A 51 51 LYS CA C 51 55.696 59.674 -3.978 1
1 611 . 18 1 1 A 51 51 LYS CB C 51 29.767 32.311 -2.544 1
1 615 . 18 1 1 A 51 51 LYS N N 51 119.864 122.383 -2.519 1
1 616 . 18 1 1 A 52 52 GLU H H 52 7.590 7.725 -0.135 1
1 617 . 18 1 1 A 52 52 GLU HA H 52 4.319 4.468 -0.149 1
1 622 . 18 1 1 A 52 52 GLU C C 52 173.088 176.415 -3.327 1
1 623 . 18 1 1 A 52 52 GLU CA C 52 53.301 56.313 -3.012 1
1 624 . 18 1 1 A 52 52 GLU CB C 52 28.778 30.630 -1.852 1
1 626 . 18 1 1 A 52 52 GLU N N 52 116.453 116.616 -0.163 1
1 627 . 18 1 1 A 53 53 PHE H H 53 7.423 7.752 -0.329 1
1 628 . 18 1 1 A 53 53 PHE HA H 53 3.608 4.545 -0.937 1
1 636 . 18 1 1 A 53 53 PHE C C 53 170.946 175.263 -4.317 1
1 637 . 18 1 1 A 53 53 PHE CA C 53 57.983 59.188 -1.205 1
1 638 . 18 1 1 A 53 53 PHE CB C 53 38.913 39.944 -1.031 1
1 644 . 18 1 1 A 53 53 PHE N N 53 120.950 123.278 -2.328 1
1 645 . 18 1 1 A 54 54 LYS H H 54 8.385 8.380 0.005 1
1 646 . 18 1 1 A 54 54 LYS HA H 54 4.268 4.267 0.001 1
1 655 . 18 1 1 A 54 54 LYS C C 54 173.038 175.284 -2.246 1
1 656 . 18 1 1 A 54 54 LYS CA C 54 55.263 57.073 -1.810 1
1 657 . 18 1 1 A 54 54 LYS CB C 54 32.730 34.474 -1.744 1
1 661 . 18 1 1 A 54 54 LYS N N 54 128.686 126.675 2.011 1
1 662 . 18 1 1 A 55 55 TYR H H 55 7.083 7.011 0.072 1
1 663 . 18 1 1 A 55 55 TYR HA H 55 4.120 4.747 -0.627 1
1 670 . 18 1 1 A 55 55 TYR C C 55 168.503 173.001 -4.498 1
1 671 . 18 1 1 A 55 55 TYR CA C 55 55.198 56.056 -0.858 1
1 672 . 18 1 1 A 55 55 TYR CB C 55 35.633 39.978 -4.345 1
1 677 . 18 1 1 A 55 55 TYR N N 55 110.963 112.923 -1.960 1
1 678 . 18 1 1 A 56 56 ALA H H 56 8.836 8.930 -0.094 1
1 679 . 18 1 1 A 56 56 ALA HA H 56 5.293 5.331 -0.038 1
1 683 . 18 1 1 A 56 56 ALA C C 56 172.993 176.019 -3.026 1
1 684 . 18 1 1 A 56 56 ALA CA C 56 47.088 50.544 -3.456 1
1 685 . 18 1 1 A 56 56 ALA CB C 56 20.287 22.813 -2.526 1
1 686 . 18 1 1 A 56 56 ALA N N 56 118.379 122.217 -3.838 1
1 687 . 18 1 1 A 57 57 LEU H H 57 8.880 8.834 0.046 1
1 688 . 18 1 1 A 57 57 LEU HA H 57 4.854 4.880 -0.026 1
1 698 . 18 1 1 A 57 57 LEU C C 57 172.904 175.627 -2.723 1
1 699 . 18 1 1 A 57 57 LEU CA C 57 50.872 53.396 -2.524 1
1 700 . 18 1 1 A 57 57 LEU CB C 57 42.160 41.394 0.766 1
1 704 . 18 1 1 A 57 57 LEU N N 57 121.382 122.197 -0.815 1
1 705 . 18 1 1 A 58 58 VAL H H 58 8.123 8.118 0.005 1
1 706 . 18 1 1 A 58 58 VAL HA H 58 5.243 4.337 0.906 1
1 714 . 18 1 1 A 58 58 VAL C C 58 171.929 175.540 -3.611 1
1 715 . 18 1 1 A 58 58 VAL CA C 58 57.683 62.752 -5.069 1
1 716 . 18 1 1 A 58 58 VAL CB C 58 33.036 32.185 0.851 1
1 719 . 18 1 1 A 58 58 VAL N N 58 120.400 125.018 -4.618 1
1 720 . 18 1 1 A 59 59 TRP H H 59 9.316 8.845 0.471 1
1 721 . 18 1 1 A 59 59 TRP HA H 59 4.843 5.045 -0.202 1
1 730 . 18 1 1 A 59 59 TRP C C 59 173.582 176.257 -2.675 1
1 731 . 18 1 1 A 59 59 TRP CA C 59 54.736 56.990 -2.254 1
1 732 . 18 1 1 A 59 59 TRP CB C 59 30.514 29.524 0.990 1
1 738 . 18 1 1 A 59 59 TRP N N 59 127.196 128.719 -1.523 1
1 740 . 18 1 1 A 60 60 GLY H H 60 8.531 8.366 0.165 1
1 741 . 18 1 1 A 60 60 GLY HA2 H 60 4.934 4.292 0.642 1
1 742 . 18 1 1 A 60 60 GLY HA3 H 60 4.123 4.314 -0.191 1
1 743 . 18 1 1 A 60 60 GLY C C 60 171.378 175.004 -3.626 1
1 744 . 18 1 1 A 60 60 GLY CA C 60 42.587 44.192 -1.605 1
1 745 . 18 1 1 A 60 60 GLY N N 60 110.481 108.397 2.084 1
1 746 . 18 1 1 A 61 61 LEU H H 61 8.188 8.821 -0.633 1
1 747 . 18 1 1 A 61 61 LEU HA H 61 4.141 3.974 0.167 1
1 757 . 18 1 1 A 61 61 LEU C C 61 176.897 179.160 -2.263 1
1 758 . 18 1 1 A 61 61 LEU CA C 61 54.357 57.593 -3.236 1
1 759 . 18 1 1 A 61 61 LEU CB C 61 39.942 41.457 -1.515 1
1 763 . 18 1 1 A 61 61 LEU N N 61 118.667 120.376 -1.709 1
1 764 . 18 1 1 A 62 62 SER H H 62 8.123 8.027 0.096 1
1 765 . 18 1 1 A 62 62 SER HA H 62 4.284 4.554 -0.270 1
1 768 . 18 1 1 A 62 62 SER C C 62 171.932 174.790 -2.858 1
1 769 . 18 1 1 A 62 62 SER CA C 62 57.279 61.976 -4.697 1
1 770 . 18 1 1 A 62 62 SER CB C 62 60.354 62.677 -2.323 1
1 771 . 18 1 1 A 62 62 SER N N 62 110.946 113.826 -2.880 1
1 772 . 18 1 1 A 63 63 VAL H H 63 7.174 7.790 -0.616 1
1 773 . 18 1 1 A 63 63 VAL HA H 63 4.503 4.432 0.071 1
1 781 . 18 1 1 A 63 63 VAL C C 63 173.221 176.069 -2.848 1
1 782 . 18 1 1 A 63 63 VAL CA C 63 57.573 59.949 -2.376 1
1 783 . 18 1 1 A 63 63 VAL CB C 63 31.826 33.802 -1.976 1
1 786 . 18 1 1 A 63 63 VAL N N 63 114.625 117.700 -3.075 1
1 787 . 18 1 1 A 64 64 LYS H H 64 8.112 8.484 -0.372 1
1 788 . 18 1 1 A 64 64 LYS HA H 64 4.105 4.007 0.098 1
1 796 . 18 1 1 A 64 64 LYS C C 64 174.259 176.936 -2.677 1
1 797 . 18 1 1 A 64 64 LYS CA C 64 54.586 59.255 -4.669 1
1 798 . 18 1 1 A 64 64 LYS CB C 64 30.837 32.581 -1.744 1
1 802 . 18 1 1 A 64 64 LYS N N 64 119.722 124.963 -5.241 1
1 803 . 18 1 1 A 65 65 HIS H H 65 7.496 7.762 -0.266 1
1 804 . 18 1 1 A 65 65 HIS HA H 65 4.497 5.180 -0.683 1
1 809 . 18 1 1 A 65 65 HIS C C 65 170.028 174.328 -4.300 1
1 810 . 18 1 1 A 65 65 HIS CA C 65 52.491 55.064 -2.573 1
1 811 . 18 1 1 A 65 65 HIS CB C 65 29.149 32.350 -3.201 1
1 814 . 18 1 1 A 65 65 HIS N N 65 117.336 115.260 2.076 1
1 815 . 18 1 1 A 66 66 ASN H H 66 8.135 8.956 -0.821 1
1 816 . 18 1 1 A 66 66 ASN HA H 66 4.986 5.109 -0.123 1
1 821 . 18 1 1 A 66 66 ASN C C 66 171.088 172.737 -1.649 1
1 822 . 18 1 1 A 66 66 ASN CA C 66 47.732 49.699 -1.967 1
1 823 . 18 1 1 A 66 66 ASN CB C 66 39.365 41.853 -2.488 1
1 824 . 18 1 1 A 66 66 ASN N N 66 118.616 118.172 0.444 1
1 826 . 18 1 1 A 67 67 PRO HA H 67 4.408 4.141 0.267 1
1 833 . 18 1 1 A 67 67 PRO C C 67 173.325 175.108 -1.783 1
1 834 . 18 1 1 A 67 67 PRO CA C 67 60.535 62.569 -2.034 1
1 835 . 18 1 1 A 67 67 PRO CB C 67 31.065 32.556 -1.491 1
1 838 . 18 1 1 A 68 68 GLN H H 68 8.323 7.846 0.477 1
1 839 . 18 1 1 A 68 68 GLN HA H 68 4.295 4.686 -0.391 1
1 846 . 18 1 1 A 68 68 GLN C C 68 172.005 174.238 -2.233 1
1 847 . 18 1 1 A 68 68 GLN CA C 68 51.805 54.758 -2.953 1
1 848 . 18 1 1 A 68 68 GLN CB C 68 30.014 32.143 -2.129 1
1 850 . 18 1 1 A 68 68 GLN N N 68 118.089 121.401 -3.312 1
1 852 . 18 1 1 A 69 69 LYS H H 69 8.268 8.461 -0.193 1
1 853 . 18 1 1 A 69 69 LYS HA H 69 4.907 4.569 0.338 1
1 862 . 18 1 1 A 69 69 LYS C C 69 174.226 176.391 -2.165 1
1 863 . 18 1 1 A 69 69 LYS CA C 69 53.598 56.273 -2.675 1
1 864 . 18 1 1 A 69 69 LYS CB C 69 30.096 32.785 -2.689 1
1 868 . 18 1 1 A 69 69 LYS N N 69 125.766 127.349 -1.583 1
1 869 . 18 1 1 A 70 70 VAL H H 70 9.409 9.082 0.327 1
1 870 . 18 1 1 A 70 70 VAL HA H 70 4.723 4.970 -0.247 1
1 878 . 18 1 1 A 70 70 VAL C C 70 172.498 175.766 -3.268 1
1 879 . 18 1 1 A 70 70 VAL CA C 70 56.680 59.760 -3.080 1
1 880 . 18 1 1 A 70 70 VAL CB C 70 33.332 34.644 -1.312 1
1 883 . 18 1 1 A 70 70 VAL N N 70 120.660 120.575 0.085 1
1 884 . 18 1 1 A 71 71 GLY H H 71 8.445 8.659 -0.214 1
1 885 . 18 1 1 A 71 71 GLY HA2 H 71 4.961 4.282 0.679 1
1 886 . 18 1 1 A 71 71 GLY HA3 H 71 3.898 4.427 -0.529 1
1 887 . 18 1 1 A 71 71 GLY C C 71 172.669 174.826 -2.157 1
1 888 . 18 1 1 A 71 71 GLY CA C 71 40.896 44.462 -3.566 1
1 889 . 18 1 1 A 71 71 GLY N N 71 106.755 109.727 -2.972 1
1 890 . 18 1 1 A 72 72 LYS H H 72 8.573 8.921 -0.348 1
1 891 . 18 1 1 A 72 72 LYS HA H 72 3.454 3.890 -0.436 1
1 900 . 18 1 1 A 72 72 LYS C C 72 172.853 177.228 -4.375 1
1 901 . 18 1 1 A 72 72 LYS CA C 72 56.108 58.447 -2.339 1
1 902 . 18 1 1 A 72 72 LYS CB C 72 29.993 32.401 -2.408 1
1 906 . 18 1 1 A 72 72 LYS N N 72 114.685 118.034 -3.349 1
1 907 . 18 1 1 A 73 73 ASP H H 73 8.517 7.986 0.531 1
1 908 . 18 1 1 A 73 73 ASP HA H 73 4.543 4.640 -0.097 1
1 911 . 18 1 1 A 73 73 ASP C C 73 173.041 176.193 -3.152 1
1 912 . 18 1 1 A 73 73 ASP CA C 73 51.118 54.854 -3.736 1
1 913 . 18 1 1 A 73 73 ASP CB C 73 38.311 41.322 -3.011 1
1 914 . 18 1 1 A 73 73 ASP N N 73 115.449 118.495 -3.046 1
1 915 . 18 1 1 A 74 74 HIS H H 74 7.173 7.652 -0.479 1
1 916 . 18 1 1 A 74 74 HIS HA H 74 4.084 4.477 -0.393 1
1 921 . 18 1 1 A 74 74 HIS C C 74 172.466 174.910 -2.444 1
1 922 . 18 1 1 A 74 74 HIS CA C 74 55.483 57.869 -2.386 1
1 923 . 18 1 1 A 74 74 HIS CB C 74 29.868 30.632 -0.764 1
1 926 . 18 1 1 A 74 74 HIS N N 74 120.387 121.192 -0.805 1
1 927 . 18 1 1 A 75 75 THR H H 75 7.573 8.156 -0.583 1
1 928 . 18 1 1 A 75 75 THR HA H 75 3.562 4.329 -0.767 1
1 933 . 18 1 1 A 75 75 THR C C 75 170.555 174.086 -3.531 1
1 934 . 18 1 1 A 75 75 THR CA C 75 61.656 62.319 -0.663 1
1 935 . 18 1 1 A 75 75 THR CB C 75 66.449 69.809 -3.360 1
1 937 . 18 1 1 A 75 75 THR N N 75 123.519 120.426 3.093 1
1 938 . 18 1 1 A 76 76 LEU H H 76 8.300 8.409 -0.109 1
1 939 . 18 1 1 A 76 76 LEU HA H 76 4.187 4.873 -0.686 1
1 949 . 18 1 1 A 76 76 LEU C C 76 174.153 175.626 -1.473 1
1 950 . 18 1 1 A 76 76 LEU CA C 76 52.201 53.428 -1.227 1
1 951 . 18 1 1 A 76 76 LEU CB C 76 40.188 43.583 -3.395 1
1 955 . 18 1 1 A 76 76 LEU N N 76 127.705 126.506 1.199 1
1 956 . 18 1 1 A 77 77 GLU H H 77 9.006 8.872 0.134 1
1 957 . 18 1 1 A 77 77 GLU HA H 77 4.295 4.808 -0.513 1
1 962 . 18 1 1 A 77 77 GLU C C 77 172.035 175.317 -3.282 1
1 963 . 18 1 1 A 77 77 GLU CA C 77 51.734 54.295 -2.561 1
1 964 . 18 1 1 A 77 77 GLU CB C 77 30.671 33.454 -2.783 1
1 966 . 18 1 1 A 77 77 GLU N N 77 120.330 120.169 0.161 1
1 967 . 18 1 1 A 78 78 ASP H H 78 8.375 8.733 -0.358 1
1 968 . 18 1 1 A 78 78 ASP HA H 78 4.289 4.595 -0.306 1
1 971 . 18 1 1 A 78 78 ASP C C 78 174.522 175.887 -1.365 1
1 972 . 18 1 1 A 78 78 ASP CA C 78 54.779 54.258 0.521 1
1 973 . 18 1 1 A 78 78 ASP CB C 78 39.200 41.269 -2.069 1
1 974 . 18 1 1 A 78 78 ASP N N 78 116.751 121.211 -4.460 1
1 975 . 18 1 1 A 79 79 GLU H H 79 9.867 8.689 1.178 1
1 976 . 18 1 1 A 79 79 GLU HA H 79 3.685 3.940 -0.255 1
1 981 . 18 1 1 A 79 79 GLU C C 79 172.755 174.776 -2.021 1
1 982 . 18 1 1 A 79 79 GLU CA C 79 57.384 57.580 -0.196 1
1 983 . 18 1 1 A 79 79 GLU CB C 79 24.429 28.064 -3.635 1
1 985 . 18 1 1 A 79 79 GLU N N 79 119.409 117.172 2.237 1
1 986 . 18 1 1 A 80 80 ASP H H 80 8.212 7.482 0.730 1
1 987 . 18 1 1 A 80 80 ASP HA H 80 4.833 5.394 -0.561 1
1 990 . 18 1 1 A 80 80 ASP C C 80 171.935 174.508 -2.573 1
1 991 . 18 1 1 A 80 80 ASP CA C 80 53.900 52.887 1.013 1
1 992 . 18 1 1 A 80 80 ASP CB C 80 39.633 44.486 -4.853 1
1 993 . 18 1 1 A 80 80 ASP N N 80 121.227 118.705 2.522 1
1 994 . 18 1 1 A 81 81 VAL H H 81 8.638 8.826 -0.188 1
1 995 . 18 1 1 A 81 81 VAL HA H 81 5.055 5.243 -0.188 1
1 1003 . 18 1 1 A 81 81 VAL C C 81 172.826 174.626 -1.800 1
1 1004 . 18 1 1 A 81 81 VAL CA C 81 57.723 61.508 -3.785 1
1 1005 . 18 1 1 A 81 81 VAL CB C 81 31.767 33.643 -1.876 1
1 1008 . 18 1 1 A 81 81 VAL N N 81 118.946 124.375 -5.429 1
1 1009 . 18 1 1 A 82 82 ILE H H 82 9.007 8.590 0.417 1
1 1010 . 18 1 1 A 82 82 ILE HA H 82 5.789 4.980 0.809 1
1 1020 . 18 1 1 A 82 82 ILE C C 82 170.143 173.191 -3.048 1
1 1021 . 18 1 1 A 82 82 ILE CA C 82 55.824 59.361 -3.537 1
1 1022 . 18 1 1 A 82 82 ILE CB C 82 41.574 42.105 -0.531 1
1 1026 . 18 1 1 A 82 82 ILE N N 82 124.391 127.901 -3.510 1
1 1027 . 18 1 1 A 83 83 GLN H H 83 9.415 9.057 0.358 1
1 1028 . 18 1 1 A 83 83 GLN HA H 83 4.815 4.963 -0.148 1
1 1035 . 18 1 1 A 83 83 GLN C C 83 172.719 174.382 -1.663 1
1 1036 . 18 1 1 A 83 83 GLN CA C 83 52.016 54.690 -2.674 1
1 1037 . 18 1 1 A 83 83 GLN CB C 83 32.094 30.425 1.669 1
1 1039 . 18 1 1 A 83 83 GLN N N 83 127.774 129.197 -1.423 1
1 1041 . 18 1 1 A 84 84 ILE H H 84 8.878 8.588 0.290 1
1 1042 . 18 1 1 A 84 84 ILE HA H 84 4.074 4.433 -0.359 1
1 1052 . 18 1 1 A 84 84 ILE C C 84 173.096 175.701 -2.605 1
1 1053 . 18 1 1 A 84 84 ILE CA C 84 57.372 61.179 -3.807 1
1 1054 . 18 1 1 A 84 84 ILE CB C 84 34.771 37.389 -2.618 1
1 1058 . 18 1 1 A 84 84 ILE N N 84 126.673 127.004 -0.331 1
1 1059 . 18 1 1 A 85 85 VAL H H 85 8.562 8.257 0.305 1
1 1060 . 18 1 1 A 85 85 VAL HA H 85 3.914 4.778 -0.864 1
1 1068 . 18 1 1 A 85 85 VAL C C 85 172.438 174.481 -2.043 1
1 1069 . 18 1 1 A 85 85 VAL CA C 85 60.112 59.458 0.654 1
1 1070 . 18 1 1 A 85 85 VAL CB C 85 28.964 33.104 -4.140 1
1 1073 . 18 1 1 A 85 85 VAL N N 85 130.400 123.048 7.352 1
1 1074 . 18 1 1 A 86 86 LYS H H 86 8.399 8.522 -0.123 1
1 1075 . 18 1 1 A 86 86 LYS HA H 86 4.640 4.874 -0.234 1
1 1084 . 18 1 1 A 86 86 LYS C C 86 174.388 177.273 -2.885 1
1 1085 . 18 1 1 A 86 86 LYS CA C 86 53.301 54.263 -0.962 1
1 1086 . 18 1 1 A 86 86 LYS CB C 86 32.587 34.587 -2.000 1
1 1090 . 18 1 1 A 86 86 LYS N N 86 126.582 122.814 3.768 1
1 1091 . 18 1 1 A 87 87 LYS H H 87 8.485 8.638 -0.153 1
1 1092 . 18 1 1 A 87 87 LYS HA H 87 3.923 3.962 -0.039 1
1 1101 . 18 1 1 A 87 87 LYS C C 87 174.196 176.548 -2.352 1
1 1102 . 18 1 1 A 87 87 LYS CA C 87 55.171 59.937 -4.766 1
1 1103 . 18 1 1 A 87 87 LYS CB C 87 31.274 32.176 -0.902 1
1 1107 . 18 1 1 A 87 87 LYS N N 87 119.203 123.631 -4.428 1
1 1108 . 18 1 1 A 89 89 GLY HA2 H 89 4.034 4.048 -0.014 1
1 1109 . 18 1 1 A 89 89 GLY HA3 H 89 4.034 4.048 -0.014 1
1 1110 . 18 1 1 A 89 89 GLY CA C 89 42.366 46.182 -3.816 1
1 1111 . 18 1 1 A 90 90 PRO HA H 90 4.369 4.639 -0.270 1
1 1118 . 18 1 1 A 90 90 PRO CA C 90 61.070 62.437 -1.367 1
1 1119 . 18 1 1 A 90 90 PRO CB C 90 29.818 30.357 -0.539 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.759 3.899 -0.140 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.759 3.994 -0.235 1
1 3 . 19 1 1 A 7 7 GLY C C 7 171.455 173.982 -2.527 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 42.980 45.641 -2.661 1
1 5 . 19 1 1 A 8 8 TYR H H 8 7.813 7.798 0.015 1
1 6 . 19 1 1 A 8 8 TYR HA H 8 4.391 4.499 -0.108 1
1 13 . 19 1 1 A 8 8 TYR C C 8 173.043 175.826 -2.783 1
1 14 . 19 1 1 A 8 8 TYR CA C 8 55.501 57.961 -2.460 1
1 15 . 19 1 1 A 8 8 TYR CB C 8 36.317 38.698 -2.381 1
1 20 . 19 1 1 A 8 8 TYR N N 8 119.411 120.612 -1.201 1
1 21 . 19 1 1 A 9 9 LEU H H 9 7.861 7.234 0.627 1
1 22 . 19 1 1 A 9 9 LEU HA H 9 4.118 4.368 -0.250 1
1 32 . 19 1 1 A 9 9 LEU C C 9 173.714 175.504 -1.790 1
1 33 . 19 1 1 A 9 9 LEU CA C 9 52.544 54.669 -2.125 1
1 34 . 19 1 1 A 9 9 LEU CB C 9 40.106 41.537 -1.431 1
1 38 . 19 1 1 A 9 9 LEU N N 9 123.594 122.865 0.729 1
1 39 . 19 1 1 A 10 10 LYS H H 10 7.976 8.509 -0.533 1
1 40 . 19 1 1 A 10 10 LYS HA H 10 4.108 4.651 -0.543 1
1 49 . 19 1 1 A 10 10 LYS C C 10 172.845 175.526 -2.681 1
1 50 . 19 1 1 A 10 10 LYS CA C 10 54.150 55.469 -1.319 1
1 51 . 19 1 1 A 10 10 LYS CB C 10 30.736 33.846 -3.110 1
1 55 . 19 1 1 A 10 10 LYS N N 10 122.047 128.027 -5.980 1
1 56 . 19 1 1 A 11 11 LEU H H 11 8.102 8.637 -0.535 1
1 57 . 19 1 1 A 11 11 LEU HA H 11 4.711 5.244 -0.533 1
1 67 . 19 1 1 A 11 11 LEU C C 11 173.849 175.662 -1.813 1
1 68 . 19 1 1 A 11 11 LEU CA C 11 51.523 53.841 -2.318 1
1 69 . 19 1 1 A 11 11 LEU CB C 11 41.767 45.100 -3.333 1
1 73 . 19 1 1 A 11 11 LEU N N 11 123.872 124.703 -0.831 1
1 74 . 19 1 1 A 12 12 VAL H H 12 8.956 8.839 0.117 1
1 75 . 19 1 1 A 12 12 VAL HA H 12 4.044 4.975 -0.931 1
1 83 . 19 1 1 A 12 12 VAL C C 12 171.356 174.417 -3.061 1
1 84 . 19 1 1 A 12 12 VAL CA C 12 59.549 60.113 -0.564 1
1 85 . 19 1 1 A 12 12 VAL CB C 12 31.500 34.551 -3.051 1
1 88 . 19 1 1 A 12 12 VAL N N 12 122.036 120.149 1.887 1
1 89 . 19 1 1 A 13 13 ARG H H 13 9.211 9.215 -0.004 1
1 90 . 19 1 1 A 13 13 ARG HA H 13 4.434 4.694 -0.260 1
1 98 . 19 1 1 A 13 13 ARG C C 13 171.964 174.954 -2.990 1
1 99 . 19 1 1 A 13 13 ARG CA C 13 52.791 55.480 -2.689 1
1 100 . 19 1 1 A 13 13 ARG CB C 13 29.067 31.312 -2.245 1
1 103 . 19 1 1 A 13 13 ARG N N 13 125.178 125.151 0.027 1
1 105 . 19 1 1 A 14 14 ILE H H 14 8.811 9.104 -0.293 1
1 106 . 19 1 1 A 14 14 ILE HA H 14 4.592 4.755 -0.163 1
1 116 . 19 1 1 A 14 14 ILE C C 14 173.197 174.433 -1.236 1
1 117 . 19 1 1 A 14 14 ILE CA C 14 55.308 59.948 -4.640 1
1 118 . 19 1 1 A 14 14 ILE CB C 14 36.411 39.958 -3.547 1
1 122 . 19 1 1 A 14 14 ILE N N 14 122.061 124.211 -2.150 1
1 123 . 19 1 1 A 15 15 TYR H H 15 8.781 8.891 -0.110 1
1 124 . 19 1 1 A 15 15 TYR HA H 15 5.103 4.939 0.164 1
1 131 . 19 1 1 A 15 15 TYR C C 15 172.764 175.278 -2.514 1
1 132 . 19 1 1 A 15 15 TYR CA C 15 53.740 56.848 -3.108 1
1 133 . 19 1 1 A 15 15 TYR CB C 15 37.340 37.669 -0.329 1
1 138 . 19 1 1 A 15 15 TYR N N 15 125.241 127.655 -2.414 1
1 139 . 19 1 1 A 16 16 THR H H 16 8.961 8.947 0.014 1
1 140 . 19 1 1 A 16 16 THR HA H 16 4.806 4.534 0.272 1
1 145 . 19 1 1 A 16 16 THR C C 16 171.478 173.407 -1.929 1
1 146 . 19 1 1 A 16 16 THR CA C 16 59.180 63.173 -3.993 1
1 147 . 19 1 1 A 16 16 THR CB C 16 68.174 69.690 -1.516 1
1 149 . 19 1 1 A 16 16 THR N N 16 116.007 121.243 -5.236 1
1 150 . 19 1 1 A 17 17 LYS H H 17 8.397 8.686 -0.289 1
1 151 . 19 1 1 A 17 17 LYS HA H 17 4.446 4.854 -0.408 1
1 160 . 19 1 1 A 17 17 LYS C C 17 170.870 175.093 -4.223 1
1 161 . 19 1 1 A 17 17 LYS CA C 17 50.238 52.947 -2.709 1
1 162 . 19 1 1 A 17 17 LYS CB C 17 32.677 33.882 -1.205 1
1 166 . 19 1 1 A 17 17 LYS N N 17 125.122 129.324 -4.202 1
1 167 . 19 1 1 A 18 18 PRO HA H 18 4.474 4.593 -0.119 1
1 174 . 19 1 1 A 18 18 PRO C C 18 174.170 176.552 -2.382 1
1 175 . 19 1 1 A 18 18 PRO CA C 18 59.250 62.342 -3.092 1
1 176 . 19 1 1 A 18 18 PRO CB C 18 29.517 32.356 -2.839 1
1 179 . 19 1 1 A 19 19 LYS H H 19 8.467 8.445 0.022 1
1 180 . 19 1 1 A 19 19 LYS HA H 19 3.887 4.283 -0.396 1
1 187 . 19 1 1 A 19 19 LYS C C 19 175.944 176.927 -0.983 1
1 188 . 19 1 1 A 19 19 LYS CA C 19 55.732 55.986 -0.254 1
1 189 . 19 1 1 A 19 19 LYS CB C 19 29.818 32.244 -2.426 1
1 193 . 19 1 1 A 19 19 LYS N N 19 121.921 119.657 2.264 1
1 194 . 19 1 1 A 20 20 GLY HA2 H 20 3.958 4.008 -0.050 1
1 195 . 19 1 1 A 20 20 GLY HA3 H 20 3.676 4.009 -0.333 1
1 196 . 19 1 1 A 20 20 GLY C C 20 171.329 174.706 -3.377 1
1 197 . 19 1 1 A 20 20 GLY CA C 20 43.304 45.110 -1.806 1
1 198 . 19 1 1 A 21 21 GLN H H 21 7.553 7.839 -0.286 1
1 199 . 19 1 1 A 21 21 GLN HA H 21 4.581 4.692 -0.111 1
1 206 . 19 1 1 A 21 21 GLN C C 21 172.091 174.952 -2.861 1
1 207 . 19 1 1 A 21 21 GLN CA C 21 51.330 54.962 -3.632 1
1 208 . 19 1 1 A 21 21 GLN CB C 21 29.767 30.727 -0.960 1
1 210 . 19 1 1 A 21 21 GLN N N 21 117.269 119.740 -2.471 1
1 212 . 19 1 1 A 22 22 LEU H H 22 8.048 8.512 -0.464 1
1 213 . 19 1 1 A 22 22 LEU HA H 22 4.292 4.722 -0.430 1
1 223 . 19 1 1 A 22 22 LEU C C 22 171.986 174.690 -2.704 1
1 224 . 19 1 1 A 22 22 LEU CA C 22 50.950 52.551 -1.601 1
1 225 . 19 1 1 A 22 22 LEU CB C 22 38.362 41.462 -3.100 1
1 229 . 19 1 1 A 22 22 LEU N N 22 119.689 122.415 -2.726 1
1 230 . 19 1 1 A 23 23 PRO HA H 23 4.196 4.462 -0.266 1
1 237 . 19 1 1 A 23 23 PRO C C 23 172.331 176.507 -4.176 1
1 238 . 19 1 1 A 23 23 PRO CA C 23 59.882 62.447 -2.565 1
1 239 . 19 1 1 A 23 23 PRO CB C 23 28.948 32.178 -3.230 1
1 242 . 19 1 1 A 24 24 ASP H H 24 8.191 8.280 -0.089 1
1 243 . 19 1 1 A 24 24 ASP HA H 24 4.649 4.682 -0.033 1
1 246 . 19 1 1 A 24 24 ASP C C 24 175.312 175.769 -0.457 1
1 247 . 19 1 1 A 24 24 ASP CA C 24 49.710 53.998 -4.288 1
1 248 . 19 1 1 A 24 24 ASP CB C 24 37.229 40.882 -3.653 1
1 249 . 19 1 1 A 24 24 ASP N N 24 118.307 120.756 -2.449 1
1 250 . 19 1 1 A 25 25 TYR H H 25 8.171 8.698 -0.527 1
1 251 . 19 1 1 A 25 25 TYR HA H 25 4.173 4.629 -0.456 1
1 258 . 19 1 1 A 25 25 TYR C C 25 173.720 175.951 -2.231 1
1 259 . 19 1 1 A 25 25 TYR CA C 25 57.297 58.462 -1.165 1
1 260 . 19 1 1 A 25 25 TYR CB C 25 34.897 38.196 -3.299 1
1 265 . 19 1 1 A 25 25 TYR N N 25 123.576 123.598 -0.022 1
1 266 . 19 1 1 A 26 26 THR H H 26 8.278 8.159 0.119 1
1 267 . 19 1 1 A 26 26 THR HA H 26 4.343 4.683 -0.340 1
1 272 . 19 1 1 A 26 26 THR C C 26 173.145 174.841 -1.696 1
1 273 . 19 1 1 A 26 26 THR CA C 26 60.799 63.240 -2.441 1
1 274 . 19 1 1 A 26 26 THR CB C 26 67.379 70.952 -3.573 1
1 276 . 19 1 1 A 26 26 THR N N 26 109.145 114.546 -5.401 1
1 277 . 19 1 1 A 27 27 SER H H 27 7.085 8.044 -0.959 1
1 278 . 19 1 1 A 27 27 SER HA H 27 5.002 4.879 0.123 1
1 281 . 19 1 1 A 27 27 SER C C 27 169.729 172.347 -2.618 1
1 282 . 19 1 1 A 27 27 SER CA C 27 52.526 55.956 -3.430 1
1 283 . 19 1 1 A 27 27 SER CB C 27 61.215 63.549 -2.334 1
1 284 . 19 1 1 A 27 27 SER N N 27 114.134 115.914 -1.780 1
1 285 . 19 1 1 A 28 28 PRO HA H 28 4.553 4.634 -0.081 1
1 292 . 19 1 1 A 28 28 PRO C C 28 174.448 175.531 -1.083 1
1 293 . 19 1 1 A 28 28 PRO CA C 28 60.482 62.548 -2.066 1
1 294 . 19 1 1 A 28 28 PRO CB C 28 29.224 32.749 -3.525 1
1 297 . 19 1 1 A 29 29 VAL H H 29 9.191 8.750 0.441 1
1 298 . 19 1 1 A 29 29 VAL HA H 29 3.946 4.513 -0.567 1
1 306 . 19 1 1 A 29 29 VAL C C 29 172.641 174.455 -1.814 1
1 307 . 19 1 1 A 29 29 VAL CA C 29 60.367 60.919 -0.552 1
1 308 . 19 1 1 A 29 29 VAL CB C 29 30.546 33.873 -3.327 1
1 311 . 19 1 1 A 29 29 VAL N N 29 123.735 121.278 2.457 1
1 312 . 19 1 1 A 30 30 VAL H H 30 8.169 8.908 -0.739 1
1 313 . 19 1 1 A 30 30 VAL HA H 30 4.940 4.923 0.017 1
1 321 . 19 1 1 A 30 30 VAL C C 30 173.560 174.274 -0.714 1
1 322 . 19 1 1 A 30 30 VAL CA C 30 58.568 61.232 -2.664 1
1 323 . 19 1 1 A 30 30 VAL CB C 30 30.303 32.711 -2.408 1
1 326 . 19 1 1 A 30 30 VAL N N 30 125.255 129.931 -4.676 1
1 327 . 19 1 1 A 31 31 LEU H H 31 8.889 8.590 0.299 1
1 328 . 19 1 1 A 31 31 LEU HA H 31 4.816 4.740 0.076 1
1 338 . 19 1 1 A 31 31 LEU C C 31 171.113 174.771 -3.658 1
1 339 . 19 1 1 A 31 31 LEU CA C 31 48.760 52.394 -3.634 1
1 340 . 19 1 1 A 31 31 LEU CB C 31 40.938 42.045 -1.107 1
1 344 . 19 1 1 A 31 31 LEU N N 31 127.017 130.842 -3.825 1
1 345 . 19 1 1 A 32 32 PRO HA H 32 4.531 4.726 -0.195 1
1 352 . 19 1 1 A 32 32 PRO C C 32 174.294 177.623 -3.329 1
1 353 . 19 1 1 A 32 32 PRO CA C 32 59.648 62.816 -3.168 1
1 354 . 19 1 1 A 32 32 PRO CB C 32 29.349 31.658 -2.309 1
1 357 . 19 1 1 A 33 33 TYR H H 33 8.105 8.979 -0.874 1
1 358 . 19 1 1 A 33 33 TYR HA H 33 3.788 4.062 -0.274 1
1 365 . 19 1 1 A 33 33 TYR C C 33 173.470 177.019 -3.549 1
1 366 . 19 1 1 A 33 33 TYR CA C 33 58.159 62.332 -4.173 1
1 367 . 19 1 1 A 33 33 TYR CB C 33 36.244 39.070 -2.826 1
1 372 . 19 1 1 A 33 33 TYR N N 33 120.060 126.218 -6.158 1
1 373 . 19 1 1 A 34 34 SER H H 34 7.868 8.613 -0.745 1
1 374 . 19 1 1 A 34 34 SER HA H 34 3.814 4.344 -0.530 1
1 377 . 19 1 1 A 34 34 SER C C 34 171.946 174.671 -2.725 1
1 378 . 19 1 1 A 34 34 SER CA C 34 58.212 62.215 -4.003 1
1 379 . 19 1 1 A 34 34 SER CB C 34 60.928 63.260 -2.332 1
1 380 . 19 1 1 A 34 34 SER N N 34 116.733 114.881 1.852 1
1 381 . 19 1 1 A 35 35 ARG H H 35 7.883 8.488 -0.605 1
1 382 . 19 1 1 A 35 35 ARG HA H 35 4.575 4.603 -0.028 1
1 389 . 19 1 1 A 35 35 ARG C C 35 172.091 174.550 -2.459 1
1 390 . 19 1 1 A 35 35 ARG CA C 35 52.067 54.767 -2.700 1
1 391 . 19 1 1 A 35 35 ARG CB C 35 28.228 31.034 -2.806 1
1 394 . 19 1 1 A 35 35 ARG N N 35 125.492 120.076 5.416 1
1 395 . 19 1 1 A 36 36 THR H H 36 7.874 8.580 -0.706 1
1 396 . 19 1 1 A 36 36 THR HA H 36 4.613 5.222 -0.609 1
1 401 . 19 1 1 A 36 36 THR C C 36 173.095 173.487 -0.392 1
1 402 . 19 1 1 A 36 36 THR CA C 36 57.029 60.602 -3.573 1
1 403 . 19 1 1 A 36 36 THR CB C 36 66.113 70.865 -4.752 1
1 405 . 19 1 1 A 36 36 THR N N 36 107.510 114.120 -6.610 1
1 406 . 19 1 1 A 37 37 THR H H 37 8.804 8.470 0.334 1
1 407 . 19 1 1 A 37 37 THR HA H 37 5.288 4.594 0.694 1
1 412 . 19 1 1 A 37 37 THR C C 37 174.234 174.467 -0.233 1
1 413 . 19 1 1 A 37 37 THR CA C 37 59.681 60.381 -0.700 1
1 414 . 19 1 1 A 37 37 THR CB C 37 70.032 70.838 -0.806 1
1 416 . 19 1 1 A 37 37 THR N N 37 112.714 117.437 -4.723 1
1 417 . 19 1 1 A 38 38 VAL H H 38 8.269 8.815 -0.546 1
1 418 . 19 1 1 A 38 38 VAL HA H 38 3.485 3.602 -0.117 1
1 426 . 19 1 1 A 38 38 VAL C C 38 175.909 177.272 -1.363 1
1 427 . 19 1 1 A 38 38 VAL CA C 38 64.496 66.774 -2.278 1
1 428 . 19 1 1 A 38 38 VAL CB C 38 29.015 31.344 -2.329 1
1 431 . 19 1 1 A 38 38 VAL N N 38 121.372 122.583 -1.211 1
1 432 . 19 1 1 A 39 39 GLU H H 39 8.597 8.048 0.549 1
1 433 . 19 1 1 A 39 39 GLU HA H 39 3.495 3.852 -0.357 1
1 438 . 19 1 1 A 39 39 GLU C C 39 174.769 177.934 -3.165 1
1 439 . 19 1 1 A 39 39 GLU CA C 39 58.418 59.118 -0.700 1
1 440 . 19 1 1 A 39 39 GLU CB C 39 27.358 29.011 -1.653 1
1 442 . 19 1 1 A 39 39 GLU N N 39 121.954 119.121 2.833 1
1 443 . 19 1 1 A 40 40 ASP H H 40 7.493 8.160 -0.667 1
1 444 . 19 1 1 A 40 40 ASP HA H 40 4.071 4.394 -0.323 1
1 447 . 19 1 1 A 40 40 ASP C C 40 176.738 178.540 -1.802 1
1 448 . 19 1 1 A 40 40 ASP CA C 40 55.877 57.013 -1.136 1
1 449 . 19 1 1 A 40 40 ASP CB C 40 38.721 40.667 -1.946 1
1 450 . 19 1 1 A 40 40 ASP N N 40 119.054 120.449 -1.395 1
1 451 . 19 1 1 A 41 41 PHE H H 41 8.429 8.256 0.173 1
1 452 . 19 1 1 A 41 41 PHE HA H 41 3.750 4.067 -0.317 1
1 460 . 19 1 1 A 41 41 PHE C C 41 173.786 177.298 -3.512 1
1 461 . 19 1 1 A 41 41 PHE CA C 41 59.851 61.234 -1.383 1
1 462 . 19 1 1 A 41 41 PHE CB C 41 36.135 38.738 -2.603 1
1 468 . 19 1 1 A 41 41 PHE N N 41 121.017 122.243 -1.226 1
1 469 . 19 1 1 A 42 42 CYS H H 42 8.527 8.142 0.385 1
1 470 . 19 1 1 A 42 42 CYS HA H 42 3.752 4.304 -0.552 1
1 473 . 19 1 1 A 42 42 CYS C C 42 174.065 177.567 -3.502 1
1 474 . 19 1 1 A 42 42 CYS CA C 42 62.453 62.647 -0.194 1
1 475 . 19 1 1 A 42 42 CYS CB C 42 24.429 26.627 -2.198 1
1 476 . 19 1 1 A 42 42 CYS N N 42 116.390 117.123 -0.733 1
1 477 . 19 1 1 A 43 43 MET H H 43 7.739 7.894 -0.155 1
1 478 . 19 1 1 A 43 43 MET HA H 43 3.885 4.444 -0.559 1
1 486 . 19 1 1 A 43 43 MET C C 43 175.345 178.706 -3.361 1
1 487 . 19 1 1 A 43 43 MET CA C 43 54.460 58.299 -3.839 1
1 488 . 19 1 1 A 43 43 MET CB C 43 28.872 32.833 -3.961 1
1 491 . 19 1 1 A 43 43 MET N N 43 114.377 119.423 -5.046 1
1 492 . 19 1 1 A 44 44 LYS H H 44 7.257 7.907 -0.650 1
1 493 . 19 1 1 A 44 44 LYS HA H 44 3.896 3.921 -0.025 1
1 502 . 19 1 1 A 44 44 LYS C C 44 175.198 178.794 -3.596 1
1 503 . 19 1 1 A 44 44 LYS CA C 44 54.181 59.004 -4.823 1
1 504 . 19 1 1 A 44 44 LYS CB C 44 29.291 32.349 -3.058 1
1 508 . 19 1 1 A 44 44 LYS N N 44 117.480 118.445 -0.965 1
1 509 . 19 1 1 A 45 45 ILE H H 45 7.146 7.349 -0.203 1
1 510 . 19 1 1 A 45 45 ILE HA H 45 3.697 3.943 -0.246 1
1 520 . 19 1 1 A 45 45 ILE C C 45 174.894 175.807 -0.913 1
1 521 . 19 1 1 A 45 45 ILE CA C 45 59.954 63.271 -3.317 1
1 522 . 19 1 1 A 45 45 ILE CB C 45 33.943 39.040 -5.097 1
1 526 . 19 1 1 A 45 45 ILE N N 45 119.267 117.514 1.753 1
1 527 . 19 1 1 A 46 46 HIS H H 46 7.982 7.774 0.208 1
1 528 . 19 1 1 A 46 46 HIS HA H 46 4.200 4.741 -0.541 1
1 533 . 19 1 1 A 46 46 HIS C C 46 173.349 174.166 -0.817 1
1 534 . 19 1 1 A 46 46 HIS CA C 46 56.363 56.108 0.255 1
1 535 . 19 1 1 A 46 46 HIS CB C 46 30.998 32.383 -1.385 1
1 538 . 19 1 1 A 46 46 HIS N N 46 116.498 116.344 0.154 1
1 539 . 19 1 1 A 47 47 LYS H H 47 8.478 9.165 -0.687 1
1 540 . 19 1 1 A 47 47 LYS HA H 47 4.091 3.868 0.223 1
1 545 . 19 1 1 A 47 47 LYS C C 47 174.519 179.208 -4.689 1
1 546 . 19 1 1 A 47 47 LYS CA C 47 57.279 59.471 -2.192 1
1 547 . 19 1 1 A 47 47 LYS CB C 47 29.709 32.641 -2.932 1
1 551 . 19 1 1 A 47 47 LYS N N 47 127.686 126.171 1.515 1
1 552 . 19 1 1 A 48 48 ASN H H 48 10.623 8.558 2.065 1
1 553 . 19 1 1 A 48 48 ASN HA H 48 4.839 4.561 0.278 1
1 558 . 19 1 1 A 48 48 ASN C C 48 175.138 177.557 -2.419 1
1 559 . 19 1 1 A 48 48 ASN CA C 48 50.960 55.612 -4.652 1
1 560 . 19 1 1 A 48 48 ASN CB C 48 36.975 39.155 -2.180 1
1 561 . 19 1 1 A 48 48 ASN N N 48 118.711 117.932 0.779 1
1 563 . 19 1 1 A 49 49 LEU H H 49 7.796 8.259 -0.463 1
1 564 . 19 1 1 A 49 49 LEU HA H 49 4.103 4.027 0.076 1
1 574 . 19 1 1 A 49 49 LEU C C 49 176.976 178.569 -1.593 1
1 575 . 19 1 1 A 49 49 LEU CA C 49 56.381 58.732 -2.351 1
1 576 . 19 1 1 A 49 49 LEU CB C 49 39.064 41.728 -2.664 1
1 580 . 19 1 1 A 49 49 LEU N N 49 124.676 120.683 3.993 1
1 581 . 19 1 1 A 50 50 ILE H H 50 9.052 7.871 1.181 1
1 582 . 19 1 1 A 50 50 ILE HA H 50 4.060 3.869 0.191 1
1 592 . 19 1 1 A 50 50 ILE C C 50 173.983 177.751 -3.768 1
1 593 . 19 1 1 A 50 50 ILE CA C 50 57.842 63.580 -5.738 1
1 594 . 19 1 1 A 50 50 ILE CB C 50 35.943 37.673 -1.730 1
1 598 . 19 1 1 A 50 50 ILE N N 50 116.565 118.968 -2.403 1
1 599 . 19 1 1 A 51 51 LYS H H 51 7.275 8.253 -0.978 1
1 600 . 19 1 1 A 51 51 LYS HA H 51 4.143 4.117 0.026 1
1 609 . 19 1 1 A 51 51 LYS C C 51 175.668 178.367 -2.699 1
1 610 . 19 1 1 A 51 51 LYS CA C 51 55.696 59.691 -3.995 1
1 611 . 19 1 1 A 51 51 LYS CB C 51 29.767 32.408 -2.641 1
1 615 . 19 1 1 A 51 51 LYS N N 51 119.864 122.439 -2.575 1
1 616 . 19 1 1 A 52 52 GLU H H 52 7.590 7.966 -0.376 1
1 617 . 19 1 1 A 52 52 GLU HA H 52 4.319 4.360 -0.041 1
1 622 . 19 1 1 A 52 52 GLU C C 52 173.088 176.599 -3.511 1
1 623 . 19 1 1 A 52 52 GLU CA C 52 53.301 56.999 -3.698 1
1 624 . 19 1 1 A 52 52 GLU CB C 52 28.778 30.338 -1.560 1
1 626 . 19 1 1 A 52 52 GLU N N 52 116.453 117.009 -0.556 1
1 627 . 19 1 1 A 53 53 PHE H H 53 7.423 8.034 -0.611 1
1 628 . 19 1 1 A 53 53 PHE HA H 53 3.608 4.604 -0.996 1
1 636 . 19 1 1 A 53 53 PHE C C 53 170.946 175.351 -4.405 1
1 637 . 19 1 1 A 53 53 PHE CA C 53 57.983 58.911 -0.928 1
1 638 . 19 1 1 A 53 53 PHE CB C 53 38.913 39.794 -0.881 1
1 644 . 19 1 1 A 53 53 PHE N N 53 120.950 123.033 -2.083 1
1 645 . 19 1 1 A 54 54 LYS H H 54 8.385 8.664 -0.279 1
1 646 . 19 1 1 A 54 54 LYS HA H 54 4.268 4.257 0.011 1
1 655 . 19 1 1 A 54 54 LYS C C 54 173.038 175.352 -2.314 1
1 656 . 19 1 1 A 54 54 LYS CA C 54 55.263 57.111 -1.848 1
1 657 . 19 1 1 A 54 54 LYS CB C 54 32.730 34.136 -1.406 1
1 661 . 19 1 1 A 54 54 LYS N N 54 128.686 127.322 1.364 1
1 662 . 19 1 1 A 55 55 TYR H H 55 7.083 6.901 0.182 1
1 663 . 19 1 1 A 55 55 TYR HA H 55 4.120 4.637 -0.517 1
1 670 . 19 1 1 A 55 55 TYR C C 55 168.503 172.846 -4.343 1
1 671 . 19 1 1 A 55 55 TYR CA C 55 55.198 56.090 -0.892 1
1 672 . 19 1 1 A 55 55 TYR CB C 55 35.633 39.757 -4.124 1
1 677 . 19 1 1 A 55 55 TYR N N 55 110.963 112.999 -2.036 1
1 678 . 19 1 1 A 56 56 ALA H H 56 8.836 8.771 0.065 1
1 679 . 19 1 1 A 56 56 ALA HA H 56 5.293 5.442 -0.149 1
1 683 . 19 1 1 A 56 56 ALA C C 56 172.993 175.857 -2.864 1
1 684 . 19 1 1 A 56 56 ALA CA C 56 47.088 50.568 -3.480 1
1 685 . 19 1 1 A 56 56 ALA CB C 56 20.287 22.388 -2.101 1
1 686 . 19 1 1 A 56 56 ALA N N 56 118.379 122.113 -3.734 1
1 687 . 19 1 1 A 57 57 LEU H H 57 8.880 8.451 0.429 1
1 688 . 19 1 1 A 57 57 LEU HA H 57 4.854 4.783 0.071 1
1 698 . 19 1 1 A 57 57 LEU C C 57 172.904 175.517 -2.613 1
1 699 . 19 1 1 A 57 57 LEU CA C 57 50.872 53.397 -2.525 1
1 700 . 19 1 1 A 57 57 LEU CB C 57 42.160 41.047 1.113 1
1 704 . 19 1 1 A 57 57 LEU N N 57 121.382 123.465 -2.083 1
1 705 . 19 1 1 A 58 58 VAL H H 58 8.123 7.838 0.285 1
1 706 . 19 1 1 A 58 58 VAL HA H 58 5.243 4.481 0.762 1
1 714 . 19 1 1 A 58 58 VAL C C 58 171.929 175.324 -3.395 1
1 715 . 19 1 1 A 58 58 VAL CA C 58 57.683 62.529 -4.846 1
1 716 . 19 1 1 A 58 58 VAL CB C 58 33.036 32.210 0.826 1
1 719 . 19 1 1 A 58 58 VAL N N 58 120.400 124.597 -4.197 1
1 720 . 19 1 1 A 59 59 TRP H H 59 9.316 9.139 0.177 1
1 721 . 19 1 1 A 59 59 TRP HA H 59 4.843 5.270 -0.427 1
1 730 . 19 1 1 A 59 59 TRP C C 59 173.582 176.568 -2.986 1
1 731 . 19 1 1 A 59 59 TRP CA C 59 54.736 54.877 -0.141 1
1 732 . 19 1 1 A 59 59 TRP CB C 59 30.514 30.763 -0.249 1
1 738 . 19 1 1 A 59 59 TRP N N 59 127.196 128.293 -1.097 1
1 740 . 19 1 1 A 60 60 GLY H H 60 8.531 8.368 0.163 1
1 741 . 19 1 1 A 60 60 GLY HA2 H 60 4.934 4.369 0.565 1
1 742 . 19 1 1 A 60 60 GLY HA3 H 60 4.123 4.381 -0.258 1
1 743 . 19 1 1 A 60 60 GLY C C 60 171.378 174.027 -2.649 1
1 744 . 19 1 1 A 60 60 GLY CA C 60 42.587 46.173 -3.586 1
1 745 . 19 1 1 A 60 60 GLY N N 60 110.481 110.492 -0.011 1
1 746 . 19 1 1 A 61 61 LEU H H 61 8.188 8.956 -0.768 1
1 747 . 19 1 1 A 61 61 LEU HA H 61 4.141 4.139 0.002 1
1 757 . 19 1 1 A 61 61 LEU C C 61 176.897 178.899 -2.002 1
1 758 . 19 1 1 A 61 61 LEU CA C 61 54.357 57.289 -2.932 1
1 759 . 19 1 1 A 61 61 LEU CB C 61 39.942 41.819 -1.877 1
1 763 . 19 1 1 A 61 61 LEU N N 61 118.667 120.094 -1.427 1
1 764 . 19 1 1 A 62 62 SER H H 62 8.123 8.002 0.121 1
1 765 . 19 1 1 A 62 62 SER HA H 62 4.284 4.292 -0.008 1
1 768 . 19 1 1 A 62 62 SER C C 62 171.932 174.747 -2.815 1
1 769 . 19 1 1 A 62 62 SER CA C 62 57.279 61.916 -4.637 1
1 770 . 19 1 1 A 62 62 SER CB C 62 60.354 62.802 -2.448 1
1 771 . 19 1 1 A 62 62 SER N N 62 110.946 113.804 -2.858 1
1 772 . 19 1 1 A 63 63 VAL H H 63 7.174 7.662 -0.488 1
1 773 . 19 1 1 A 63 63 VAL HA H 63 4.503 4.502 0.001 1
1 781 . 19 1 1 A 63 63 VAL C C 63 173.221 175.939 -2.718 1
1 782 . 19 1 1 A 63 63 VAL CA C 63 57.573 59.742 -2.169 1
1 783 . 19 1 1 A 63 63 VAL CB C 63 31.826 34.023 -2.197 1
1 786 . 19 1 1 A 63 63 VAL N N 63 114.625 117.878 -3.253 1
1 787 . 19 1 1 A 64 64 LYS H H 64 8.112 8.520 -0.408 1
1 788 . 19 1 1 A 64 64 LYS HA H 64 4.105 3.988 0.117 1
1 796 . 19 1 1 A 64 64 LYS C C 64 174.259 176.660 -2.401 1
1 797 . 19 1 1 A 64 64 LYS CA C 64 54.586 59.302 -4.716 1
1 798 . 19 1 1 A 64 64 LYS CB C 64 30.837 32.723 -1.886 1
1 802 . 19 1 1 A 64 64 LYS N N 64 119.722 125.293 -5.571 1
1 803 . 19 1 1 A 65 65 HIS H H 65 7.496 7.819 -0.323 1
1 804 . 19 1 1 A 65 65 HIS HA H 65 4.497 5.244 -0.747 1
1 809 . 19 1 1 A 65 65 HIS C C 65 170.028 174.436 -4.408 1
1 810 . 19 1 1 A 65 65 HIS CA C 65 52.491 55.055 -2.564 1
1 811 . 19 1 1 A 65 65 HIS CB C 65 29.149 32.340 -3.191 1
1 814 . 19 1 1 A 65 65 HIS N N 65 117.336 114.943 2.393 1
1 815 . 19 1 1 A 66 66 ASN H H 66 8.135 8.994 -0.859 1
1 816 . 19 1 1 A 66 66 ASN HA H 66 4.986 5.139 -0.153 1
1 821 . 19 1 1 A 66 66 ASN C C 66 171.088 172.642 -1.554 1
1 822 . 19 1 1 A 66 66 ASN CA C 66 47.732 49.969 -2.237 1
1 823 . 19 1 1 A 66 66 ASN CB C 66 39.365 41.908 -2.543 1
1 824 . 19 1 1 A 66 66 ASN N N 66 118.616 118.090 0.526 1
1 826 . 19 1 1 A 67 67 PRO HA H 67 4.408 4.302 0.106 1
1 833 . 19 1 1 A 67 67 PRO C C 67 173.325 175.283 -1.958 1
1 834 . 19 1 1 A 67 67 PRO CA C 67 60.535 62.432 -1.897 1
1 835 . 19 1 1 A 67 67 PRO CB C 67 31.065 32.392 -1.327 1
1 838 . 19 1 1 A 68 68 GLN H H 68 8.323 7.740 0.583 1
1 839 . 19 1 1 A 68 68 GLN HA H 68 4.295 4.627 -0.332 1
1 846 . 19 1 1 A 68 68 GLN C C 68 172.005 174.332 -2.327 1
1 847 . 19 1 1 A 68 68 GLN CA C 68 51.805 54.659 -2.854 1
1 848 . 19 1 1 A 68 68 GLN CB C 68 30.014 31.750 -1.736 1
1 850 . 19 1 1 A 68 68 GLN N N 68 118.089 120.689 -2.600 1
1 852 . 19 1 1 A 69 69 LYS H H 69 8.268 8.735 -0.467 1
1 853 . 19 1 1 A 69 69 LYS HA H 69 4.907 4.612 0.295 1
1 862 . 19 1 1 A 69 69 LYS C C 69 174.226 176.107 -1.881 1
1 863 . 19 1 1 A 69 69 LYS CA C 69 53.598 55.953 -2.355 1
1 864 . 19 1 1 A 69 69 LYS CB C 69 30.096 33.100 -3.004 1
1 868 . 19 1 1 A 69 69 LYS N N 69 125.766 127.229 -1.463 1
1 869 . 19 1 1 A 70 70 VAL H H 70 9.409 9.004 0.405 1
1 870 . 19 1 1 A 70 70 VAL HA H 70 4.723 4.952 -0.229 1
1 878 . 19 1 1 A 70 70 VAL C C 70 172.498 176.173 -3.675 1
1 879 . 19 1 1 A 70 70 VAL CA C 70 56.680 59.926 -3.246 1
1 880 . 19 1 1 A 70 70 VAL CB C 70 33.332 33.995 -0.663 1
1 883 . 19 1 1 A 70 70 VAL N N 70 120.660 121.409 -0.749 1
1 884 . 19 1 1 A 71 71 GLY H H 71 8.445 8.492 -0.047 1
1 885 . 19 1 1 A 71 71 GLY HA2 H 71 4.961 4.268 0.693 1
1 886 . 19 1 1 A 71 71 GLY HA3 H 71 3.898 4.346 -0.448 1
1 887 . 19 1 1 A 71 71 GLY C C 71 172.669 174.903 -2.234 1
1 888 . 19 1 1 A 71 71 GLY CA C 71 40.896 44.594 -3.698 1
1 889 . 19 1 1 A 71 71 GLY N N 71 106.755 109.848 -3.093 1
1 890 . 19 1 1 A 72 72 LYS H H 72 8.573 8.885 -0.312 1
1 891 . 19 1 1 A 72 72 LYS HA H 72 3.454 4.176 -0.722 1
1 900 . 19 1 1 A 72 72 LYS C C 72 172.853 176.715 -3.862 1
1 901 . 19 1 1 A 72 72 LYS CA C 72 56.108 57.685 -1.577 1
1 902 . 19 1 1 A 72 72 LYS CB C 72 29.993 33.292 -3.299 1
1 906 . 19 1 1 A 72 72 LYS N N 72 114.685 118.144 -3.459 1
1 907 . 19 1 1 A 73 73 ASP H H 73 8.517 8.277 0.240 1
1 908 . 19 1 1 A 73 73 ASP HA H 73 4.543 4.703 -0.160 1
1 911 . 19 1 1 A 73 73 ASP C C 73 173.041 176.261 -3.220 1
1 912 . 19 1 1 A 73 73 ASP CA C 73 51.118 53.682 -2.564 1
1 913 . 19 1 1 A 73 73 ASP CB C 73 38.311 40.671 -2.360 1
1 914 . 19 1 1 A 73 73 ASP N N 73 115.449 117.617 -2.168 1
1 915 . 19 1 1 A 74 74 HIS H H 74 7.173 7.727 -0.554 1
1 916 . 19 1 1 A 74 74 HIS HA H 74 4.084 4.418 -0.334 1
1 921 . 19 1 1 A 74 74 HIS C C 74 172.466 175.028 -2.562 1
1 922 . 19 1 1 A 74 74 HIS CA C 74 55.483 57.408 -1.925 1
1 923 . 19 1 1 A 74 74 HIS CB C 74 29.868 30.232 -0.364 1
1 926 . 19 1 1 A 74 74 HIS N N 74 120.387 121.556 -1.169 1
1 927 . 19 1 1 A 75 75 THR H H 75 7.573 8.338 -0.765 1
1 928 . 19 1 1 A 75 75 THR HA H 75 3.562 4.119 -0.557 1
1 933 . 19 1 1 A 75 75 THR C C 75 170.555 174.065 -3.510 1
1 934 . 19 1 1 A 75 75 THR CA C 75 61.656 62.670 -1.014 1
1 935 . 19 1 1 A 75 75 THR CB C 75 66.449 69.145 -2.696 1
1 937 . 19 1 1 A 75 75 THR N N 75 123.519 120.743 2.776 1
1 938 . 19 1 1 A 76 76 LEU H H 76 8.300 8.464 -0.164 1
1 939 . 19 1 1 A 76 76 LEU HA H 76 4.187 4.596 -0.409 1
1 949 . 19 1 1 A 76 76 LEU C C 76 174.153 175.945 -1.792 1
1 950 . 19 1 1 A 76 76 LEU CA C 76 52.201 54.088 -1.887 1
1 951 . 19 1 1 A 76 76 LEU CB C 76 40.188 42.743 -2.555 1
1 955 . 19 1 1 A 76 76 LEU N N 76 127.705 127.004 0.701 1
1 956 . 19 1 1 A 77 77 GLU H H 77 9.006 8.902 0.104 1
1 957 . 19 1 1 A 77 77 GLU HA H 77 4.295 4.931 -0.636 1
1 962 . 19 1 1 A 77 77 GLU C C 77 172.035 175.388 -3.353 1
1 963 . 19 1 1 A 77 77 GLU CA C 77 51.734 54.477 -2.743 1
1 964 . 19 1 1 A 77 77 GLU CB C 77 30.671 32.946 -2.275 1
1 966 . 19 1 1 A 77 77 GLU N N 77 120.330 120.912 -0.582 1
1 967 . 19 1 1 A 78 78 ASP H H 78 8.375 8.701 -0.326 1
1 968 . 19 1 1 A 78 78 ASP HA H 78 4.289 4.300 -0.011 1
1 971 . 19 1 1 A 78 78 ASP C C 78 174.522 177.004 -2.482 1
1 972 . 19 1 1 A 78 78 ASP CA C 78 54.779 54.789 -0.010 1
1 973 . 19 1 1 A 78 78 ASP CB C 78 39.200 41.278 -2.078 1
1 974 . 19 1 1 A 78 78 ASP N N 78 116.751 122.684 -5.933 1
1 975 . 19 1 1 A 79 79 GLU H H 79 9.867 9.124 0.743 1
1 976 . 19 1 1 A 79 79 GLU HA H 79 3.685 3.875 -0.190 1
1 981 . 19 1 1 A 79 79 GLU C C 79 172.755 174.823 -2.068 1
1 982 . 19 1 1 A 79 79 GLU CA C 79 57.384 57.419 -0.035 1
1 983 . 19 1 1 A 79 79 GLU CB C 79 24.429 27.959 -3.530 1
1 985 . 19 1 1 A 79 79 GLU N N 79 119.409 119.913 -0.504 1
1 986 . 19 1 1 A 80 80 ASP H H 80 8.212 7.192 1.020 1
1 987 . 19 1 1 A 80 80 ASP HA H 80 4.833 5.417 -0.584 1
1 990 . 19 1 1 A 80 80 ASP C C 80 171.935 174.672 -2.737 1
1 991 . 19 1 1 A 80 80 ASP CA C 80 53.900 53.204 0.696 1
1 992 . 19 1 1 A 80 80 ASP CB C 80 39.633 44.680 -5.047 1
1 993 . 19 1 1 A 80 80 ASP N N 80 121.227 117.456 3.771 1
1 994 . 19 1 1 A 81 81 VAL H H 81 8.638 9.032 -0.394 1
1 995 . 19 1 1 A 81 81 VAL HA H 81 5.055 5.213 -0.158 1
1 1003 . 19 1 1 A 81 81 VAL C C 81 172.826 175.059 -2.233 1
1 1004 . 19 1 1 A 81 81 VAL CA C 81 57.723 61.747 -4.024 1
1 1005 . 19 1 1 A 81 81 VAL CB C 81 31.767 33.623 -1.856 1
1 1008 . 19 1 1 A 81 81 VAL N N 81 118.946 122.690 -3.744 1
1 1009 . 19 1 1 A 82 82 ILE H H 82 9.007 8.480 0.527 1
1 1010 . 19 1 1 A 82 82 ILE HA H 82 5.789 4.979 0.810 1
1 1020 . 19 1 1 A 82 82 ILE C C 82 170.143 173.113 -2.970 1
1 1021 . 19 1 1 A 82 82 ILE CA C 82 55.824 59.162 -3.338 1
1 1022 . 19 1 1 A 82 82 ILE CB C 82 41.574 42.332 -0.758 1
1 1026 . 19 1 1 A 82 82 ILE N N 82 124.391 127.327 -2.936 1
1 1027 . 19 1 1 A 83 83 GLN H H 83 9.415 8.969 0.446 1
1 1028 . 19 1 1 A 83 83 GLN HA H 83 4.815 5.012 -0.197 1
1 1035 . 19 1 1 A 83 83 GLN C C 83 172.719 174.383 -1.664 1
1 1036 . 19 1 1 A 83 83 GLN CA C 83 52.016 54.442 -2.426 1
1 1037 . 19 1 1 A 83 83 GLN CB C 83 32.094 31.127 0.967 1
1 1039 . 19 1 1 A 83 83 GLN N N 83 127.774 127.949 -0.175 1
1 1041 . 19 1 1 A 84 84 ILE H H 84 8.878 8.765 0.113 1
1 1042 . 19 1 1 A 84 84 ILE HA H 84 4.074 4.487 -0.413 1
1 1052 . 19 1 1 A 84 84 ILE C C 84 173.096 175.578 -2.482 1
1 1053 . 19 1 1 A 84 84 ILE CA C 84 57.372 61.023 -3.651 1
1 1054 . 19 1 1 A 84 84 ILE CB C 84 34.771 37.492 -2.721 1
1 1058 . 19 1 1 A 84 84 ILE N N 84 126.673 127.349 -0.676 1
1 1059 . 19 1 1 A 85 85 VAL H H 85 8.562 8.310 0.252 1
1 1060 . 19 1 1 A 85 85 VAL HA H 85 3.914 4.378 -0.464 1
1 1068 . 19 1 1 A 85 85 VAL C C 85 172.438 174.914 -2.476 1
1 1069 . 19 1 1 A 85 85 VAL CA C 85 60.112 61.131 -1.019 1
1 1070 . 19 1 1 A 85 85 VAL CB C 85 28.964 32.559 -3.595 1
1 1073 . 19 1 1 A 85 85 VAL N N 85 130.400 128.213 2.187 1
1 1074 . 19 1 1 A 86 86 LYS H H 86 8.399 8.532 -0.133 1
1 1075 . 19 1 1 A 86 86 LYS HA H 86 4.640 4.866 -0.226 1
1 1084 . 19 1 1 A 86 86 LYS C C 86 174.388 176.569 -2.181 1
1 1085 . 19 1 1 A 86 86 LYS CA C 86 53.301 54.272 -0.971 1
1 1086 . 19 1 1 A 86 86 LYS CB C 86 32.587 34.212 -1.625 1
1 1090 . 19 1 1 A 86 86 LYS N N 86 126.582 126.967 -0.385 1
1 1091 . 19 1 1 A 87 87 LYS H H 87 8.485 8.510 -0.025 1
1 1092 . 19 1 1 A 87 87 LYS HA H 87 3.923 4.103 -0.180 1
1 1101 . 19 1 1 A 87 87 LYS C C 87 174.196 176.732 -2.536 1
1 1102 . 19 1 1 A 87 87 LYS CA C 87 55.171 56.664 -1.493 1
1 1103 . 19 1 1 A 87 87 LYS CB C 87 31.274 32.197 -0.923 1
1 1107 . 19 1 1 A 87 87 LYS N N 87 119.203 123.558 -4.355 1
1 1108 . 19 1 1 A 89 89 GLY HA2 H 89 4.034 4.239 -0.205 1
1 1109 . 19 1 1 A 89 89 GLY HA3 H 89 4.034 4.240 -0.206 1
1 1110 . 19 1 1 A 89 89 GLY CA C 89 42.366 44.999 -2.633 1
1 1111 . 19 1 1 A 90 90 PRO HA H 90 4.369 4.511 -0.142 1
1 1118 . 19 1 1 A 90 90 PRO CA C 90 61.070 63.990 -2.920 1
1 1119 . 19 1 1 A 90 90 PRO CB C 90 29.818 31.830 -2.012 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.759 4.193 -0.434 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.759 4.210 -0.451 1
1 3 . 20 1 1 A 7 7 GLY C C 7 171.455 173.331 -1.876 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 42.980 46.032 -3.052 1
1 5 . 20 1 1 A 8 8 TYR H H 8 7.813 8.856 -1.043 1
1 6 . 20 1 1 A 8 8 TYR HA H 8 4.391 4.730 -0.339 1
1 13 . 20 1 1 A 8 8 TYR C C 8 173.043 175.370 -2.327 1
1 14 . 20 1 1 A 8 8 TYR CA C 8 55.501 58.245 -2.744 1
1 15 . 20 1 1 A 8 8 TYR CB C 8 36.317 39.281 -2.964 1
1 20 . 20 1 1 A 8 8 TYR N N 8 119.411 125.719 -6.308 1
1 21 . 20 1 1 A 9 9 LEU H H 9 7.861 7.489 0.372 1
1 22 . 20 1 1 A 9 9 LEU HA H 9 4.118 4.246 -0.128 1
1 32 . 20 1 1 A 9 9 LEU C C 9 173.714 175.262 -1.548 1
1 33 . 20 1 1 A 9 9 LEU CA C 9 52.544 54.152 -1.608 1
1 34 . 20 1 1 A 9 9 LEU CB C 9 40.106 41.310 -1.204 1
1 38 . 20 1 1 A 9 9 LEU N N 9 123.594 121.473 2.121 1
1 39 . 20 1 1 A 10 10 LYS H H 10 7.976 8.126 -0.150 1
1 40 . 20 1 1 A 10 10 LYS HA H 10 4.108 4.428 -0.320 1
1 49 . 20 1 1 A 10 10 LYS C C 10 172.845 175.643 -2.798 1
1 50 . 20 1 1 A 10 10 LYS CA C 10 54.150 55.866 -1.716 1
1 51 . 20 1 1 A 10 10 LYS CB C 10 30.736 33.092 -2.356 1
1 55 . 20 1 1 A 10 10 LYS N N 10 122.047 128.376 -6.329 1
1 56 . 20 1 1 A 11 11 LEU H H 11 8.102 8.578 -0.476 1
1 57 . 20 1 1 A 11 11 LEU HA H 11 4.711 5.236 -0.525 1
1 67 . 20 1 1 A 11 11 LEU C C 11 173.849 175.864 -2.015 1
1 68 . 20 1 1 A 11 11 LEU CA C 11 51.523 53.523 -2.000 1
1 69 . 20 1 1 A 11 11 LEU CB C 11 41.767 45.104 -3.337 1
1 73 . 20 1 1 A 11 11 LEU N N 11 123.872 125.002 -1.130 1
1 74 . 20 1 1 A 12 12 VAL H H 12 8.956 9.052 -0.096 1
1 75 . 20 1 1 A 12 12 VAL HA H 12 4.044 4.913 -0.869 1
1 83 . 20 1 1 A 12 12 VAL C C 12 171.356 174.277 -2.921 1
1 84 . 20 1 1 A 12 12 VAL CA C 12 59.549 59.792 -0.243 1
1 85 . 20 1 1 A 12 12 VAL CB C 12 31.500 34.787 -3.287 1
1 88 . 20 1 1 A 12 12 VAL N N 12 122.036 118.999 3.037 1
1 89 . 20 1 1 A 13 13 ARG H H 13 9.211 8.709 0.502 1
1 90 . 20 1 1 A 13 13 ARG HA H 13 4.434 4.917 -0.483 1
1 98 . 20 1 1 A 13 13 ARG C C 13 171.964 175.106 -3.142 1
1 99 . 20 1 1 A 13 13 ARG CA C 13 52.791 55.616 -2.825 1
1 100 . 20 1 1 A 13 13 ARG CB C 13 29.067 31.816 -2.749 1
1 103 . 20 1 1 A 13 13 ARG N N 13 125.178 124.955 0.223 1
1 105 . 20 1 1 A 14 14 ILE H H 14 8.811 8.415 0.396 1
1 106 . 20 1 1 A 14 14 ILE HA H 14 4.592 4.543 0.049 1
1 116 . 20 1 1 A 14 14 ILE C C 14 173.197 174.739 -1.542 1
1 117 . 20 1 1 A 14 14 ILE CA C 14 55.308 60.249 -4.941 1
1 118 . 20 1 1 A 14 14 ILE CB C 14 36.411 40.597 -4.186 1
1 122 . 20 1 1 A 14 14 ILE N N 14 122.061 121.938 0.123 1
1 123 . 20 1 1 A 15 15 TYR H H 15 8.781 8.457 0.324 1
1 124 . 20 1 1 A 15 15 TYR HA H 15 5.103 4.853 0.250 1
1 131 . 20 1 1 A 15 15 TYR C C 15 172.764 175.452 -2.688 1
1 132 . 20 1 1 A 15 15 TYR CA C 15 53.740 57.720 -3.980 1
1 133 . 20 1 1 A 15 15 TYR CB C 15 37.340 37.808 -0.468 1
1 138 . 20 1 1 A 15 15 TYR N N 15 125.241 127.567 -2.326 1
1 139 . 20 1 1 A 16 16 THR H H 16 8.961 8.925 0.036 1
1 140 . 20 1 1 A 16 16 THR HA H 16 4.806 4.421 0.385 1
1 145 . 20 1 1 A 16 16 THR C C 16 171.478 173.394 -1.916 1
1 146 . 20 1 1 A 16 16 THR CA C 16 59.180 63.215 -4.035 1
1 147 . 20 1 1 A 16 16 THR CB C 16 68.174 69.675 -1.501 1
1 149 . 20 1 1 A 16 16 THR N N 16 116.007 121.055 -5.048 1
1 150 . 20 1 1 A 17 17 LYS H H 17 8.397 8.680 -0.283 1
1 151 . 20 1 1 A 17 17 LYS HA H 17 4.446 4.954 -0.508 1
1 160 . 20 1 1 A 17 17 LYS C C 17 170.870 174.266 -3.396 1
1 161 . 20 1 1 A 17 17 LYS CA C 17 50.238 52.687 -2.449 1
1 162 . 20 1 1 A 17 17 LYS CB C 17 32.677 33.902 -1.225 1
1 166 . 20 1 1 A 17 17 LYS N N 17 125.122 128.695 -3.573 1
1 167 . 20 1 1 A 18 18 PRO HA H 18 4.474 4.598 -0.124 1
1 174 . 20 1 1 A 18 18 PRO C C 18 174.170 177.264 -3.094 1
1 175 . 20 1 1 A 18 18 PRO CA C 18 59.250 63.016 -3.766 1
1 176 . 20 1 1 A 18 18 PRO CB C 18 29.517 31.638 -2.121 1
1 179 . 20 1 1 A 19 19 LYS H H 19 8.467 8.509 -0.042 1
1 180 . 20 1 1 A 19 19 LYS HA H 19 3.887 4.070 -0.183 1
1 187 . 20 1 1 A 19 19 LYS C C 19 175.944 176.975 -1.031 1
1 188 . 20 1 1 A 19 19 LYS CA C 19 55.732 57.059 -1.327 1
1 189 . 20 1 1 A 19 19 LYS CB C 19 29.818 32.028 -2.210 1
1 193 . 20 1 1 A 19 19 LYS N N 19 121.921 120.224 1.697 1
1 194 . 20 1 1 A 20 20 GLY HA2 H 20 3.958 3.980 -0.022 1
1 195 . 20 1 1 A 20 20 GLY HA3 H 20 3.676 3.981 -0.305 1
1 196 . 20 1 1 A 20 20 GLY C C 20 171.329 174.681 -3.352 1
1 197 . 20 1 1 A 20 20 GLY CA C 20 43.304 45.183 -1.879 1
1 198 . 20 1 1 A 21 21 GLN H H 21 7.553 7.578 -0.025 1
1 199 . 20 1 1 A 21 21 GLN HA H 21 4.581 4.558 0.023 1
1 206 . 20 1 1 A 21 21 GLN C C 21 172.091 175.526 -3.435 1
1 207 . 20 1 1 A 21 21 GLN CA C 21 51.330 55.155 -3.825 1
1 208 . 20 1 1 A 21 21 GLN CB C 21 29.767 30.334 -0.567 1
1 210 . 20 1 1 A 21 21 GLN N N 21 117.269 120.553 -3.284 1
1 212 . 20 1 1 A 22 22 LEU H H 22 8.048 8.530 -0.482 1
1 213 . 20 1 1 A 22 22 LEU HA H 22 4.292 4.550 -0.258 1
1 223 . 20 1 1 A 22 22 LEU C C 22 171.986 174.705 -2.719 1
1 224 . 20 1 1 A 22 22 LEU CA C 22 50.950 53.040 -2.090 1
1 225 . 20 1 1 A 22 22 LEU CB C 22 38.362 40.916 -2.554 1
1 229 . 20 1 1 A 22 22 LEU N N 22 119.689 121.628 -1.939 1
1 230 . 20 1 1 A 23 23 PRO HA H 23 4.196 4.838 -0.642 1
1 237 . 20 1 1 A 23 23 PRO C C 23 172.331 176.311 -3.980 1
1 238 . 20 1 1 A 23 23 PRO CA C 23 59.882 62.510 -2.628 1
1 239 . 20 1 1 A 23 23 PRO CB C 23 28.948 31.384 -2.436 1
1 242 . 20 1 1 A 24 24 ASP H H 24 8.191 8.427 -0.236 1
1 243 . 20 1 1 A 24 24 ASP HA H 24 4.649 4.474 0.175 1
1 246 . 20 1 1 A 24 24 ASP C C 24 175.312 175.850 -0.538 1
1 247 . 20 1 1 A 24 24 ASP CA C 24 49.710 54.290 -4.580 1
1 248 . 20 1 1 A 24 24 ASP CB C 24 37.229 40.599 -3.370 1
1 249 . 20 1 1 A 24 24 ASP N N 24 118.307 122.113 -3.806 1
1 250 . 20 1 1 A 25 25 TYR H H 25 8.171 8.592 -0.421 1
1 251 . 20 1 1 A 25 25 TYR HA H 25 4.173 4.445 -0.272 1
1 258 . 20 1 1 A 25 25 TYR C C 25 173.720 175.984 -2.264 1
1 259 . 20 1 1 A 25 25 TYR CA C 25 57.297 58.909 -1.612 1
1 260 . 20 1 1 A 25 25 TYR CB C 25 34.897 38.636 -3.739 1
1 265 . 20 1 1 A 25 25 TYR N N 25 123.576 123.133 0.443 1
1 266 . 20 1 1 A 26 26 THR H H 26 8.278 8.095 0.183 1
1 267 . 20 1 1 A 26 26 THR HA H 26 4.343 4.657 -0.314 1
1 272 . 20 1 1 A 26 26 THR C C 26 173.145 174.999 -1.854 1
1 273 . 20 1 1 A 26 26 THR CA C 26 60.799 63.164 -2.365 1
1 274 . 20 1 1 A 26 26 THR CB C 26 67.379 70.167 -2.788 1
1 276 . 20 1 1 A 26 26 THR N N 26 109.145 114.445 -5.300 1
1 277 . 20 1 1 A 27 27 SER H H 27 7.085 8.131 -1.046 1
1 278 . 20 1 1 A 27 27 SER HA H 27 5.002 4.888 0.114 1
1 281 . 20 1 1 A 27 27 SER C C 27 169.729 172.701 -2.972 1
1 282 . 20 1 1 A 27 27 SER CA C 27 52.526 56.202 -3.676 1
1 283 . 20 1 1 A 27 27 SER CB C 27 61.215 63.893 -2.678 1
1 284 . 20 1 1 A 27 27 SER N N 27 114.134 115.862 -1.728 1
1 285 . 20 1 1 A 28 28 PRO HA H 28 4.553 4.689 -0.136 1
1 292 . 20 1 1 A 28 28 PRO C C 28 174.448 175.486 -1.038 1
1 293 . 20 1 1 A 28 28 PRO CA C 28 60.482 62.507 -2.025 1
1 294 . 20 1 1 A 28 28 PRO CB C 28 29.224 32.993 -3.769 1
1 297 . 20 1 1 A 29 29 VAL H H 29 9.191 8.065 1.126 1
1 298 . 20 1 1 A 29 29 VAL HA H 29 3.946 4.553 -0.607 1
1 306 . 20 1 1 A 29 29 VAL C C 29 172.641 174.186 -1.545 1
1 307 . 20 1 1 A 29 29 VAL CA C 29 60.367 60.435 -0.068 1
1 308 . 20 1 1 A 29 29 VAL CB C 29 30.546 34.144 -3.598 1
1 311 . 20 1 1 A 29 29 VAL N N 29 123.735 120.683 3.052 1
1 312 . 20 1 1 A 30 30 VAL H H 30 8.169 9.021 -0.852 1
1 313 . 20 1 1 A 30 30 VAL HA H 30 4.940 4.445 0.495 1
1 321 . 20 1 1 A 30 30 VAL C C 30 173.560 175.234 -1.674 1
1 322 . 20 1 1 A 30 30 VAL CA C 30 58.568 62.209 -3.641 1
1 323 . 20 1 1 A 30 30 VAL CB C 30 30.303 30.895 -0.592 1
1 326 . 20 1 1 A 30 30 VAL N N 30 125.255 130.378 -5.123 1
1 327 . 20 1 1 A 31 31 LEU H H 31 8.889 8.760 0.129 1
1 328 . 20 1 1 A 31 31 LEU HA H 31 4.816 4.777 0.039 1
1 338 . 20 1 1 A 31 31 LEU C C 31 171.113 174.755 -3.642 1
1 339 . 20 1 1 A 31 31 LEU CA C 31 48.760 52.487 -3.727 1
1 340 . 20 1 1 A 31 31 LEU CB C 31 40.938 41.160 -0.222 1
1 344 . 20 1 1 A 31 31 LEU N N 31 127.017 129.136 -2.119 1
1 345 . 20 1 1 A 32 32 PRO HA H 32 4.531 4.654 -0.123 1
1 352 . 20 1 1 A 32 32 PRO C C 32 174.294 177.562 -3.268 1
1 353 . 20 1 1 A 32 32 PRO CA C 32 59.648 62.784 -3.136 1
1 354 . 20 1 1 A 32 32 PRO CB C 32 29.349 32.249 -2.900 1
1 357 . 20 1 1 A 33 33 TYR H H 33 8.105 8.878 -0.773 1
1 358 . 20 1 1 A 33 33 TYR HA H 33 3.788 3.956 -0.168 1
1 365 . 20 1 1 A 33 33 TYR C C 33 173.470 177.221 -3.751 1
1 366 . 20 1 1 A 33 33 TYR CA C 33 58.159 62.268 -4.109 1
1 367 . 20 1 1 A 33 33 TYR CB C 33 36.244 39.198 -2.954 1
1 372 . 20 1 1 A 33 33 TYR N N 33 120.060 127.494 -7.434 1
1 373 . 20 1 1 A 34 34 SER H H 34 7.868 8.323 -0.455 1
1 374 . 20 1 1 A 34 34 SER HA H 34 3.814 4.400 -0.586 1
1 377 . 20 1 1 A 34 34 SER C C 34 171.946 174.303 -2.357 1
1 378 . 20 1 1 A 34 34 SER CA C 34 58.212 61.307 -3.095 1
1 379 . 20 1 1 A 34 34 SER CB C 34 60.928 63.270 -2.342 1
1 380 . 20 1 1 A 34 34 SER N N 34 116.733 114.448 2.285 1
1 381 . 20 1 1 A 35 35 ARG H H 35 7.883 8.003 -0.120 1
1 382 . 20 1 1 A 35 35 ARG HA H 35 4.575 4.686 -0.111 1
1 389 . 20 1 1 A 35 35 ARG C C 35 172.091 174.551 -2.460 1
1 390 . 20 1 1 A 35 35 ARG CA C 35 52.067 54.992 -2.925 1
1 391 . 20 1 1 A 35 35 ARG CB C 35 28.228 31.524 -3.296 1
1 394 . 20 1 1 A 35 35 ARG N N 35 125.492 119.449 6.043 1
1 395 . 20 1 1 A 36 36 THR H H 36 7.874 8.661 -0.787 1
1 396 . 20 1 1 A 36 36 THR HA H 36 4.613 5.224 -0.611 1
1 401 . 20 1 1 A 36 36 THR C C 36 173.095 173.306 -0.211 1
1 402 . 20 1 1 A 36 36 THR CA C 36 57.029 60.558 -3.529 1
1 403 . 20 1 1 A 36 36 THR CB C 36 66.113 70.522 -4.409 1
1 405 . 20 1 1 A 36 36 THR N N 36 107.510 114.926 -7.416 1
1 406 . 20 1 1 A 37 37 THR H H 37 8.804 8.354 0.450 1
1 407 . 20 1 1 A 37 37 THR HA H 37 5.288 4.858 0.430 1
1 412 . 20 1 1 A 37 37 THR C C 37 174.234 174.436 -0.202 1
1 413 . 20 1 1 A 37 37 THR CA C 37 59.681 60.835 -1.154 1
1 414 . 20 1 1 A 37 37 THR CB C 37 70.032 71.250 -1.218 1
1 416 . 20 1 1 A 37 37 THR N N 37 112.714 117.486 -4.772 1
1 417 . 20 1 1 A 38 38 VAL H H 38 8.269 8.978 -0.709 1
1 418 . 20 1 1 A 38 38 VAL HA H 38 3.485 3.638 -0.153 1
1 426 . 20 1 1 A 38 38 VAL C C 38 175.909 177.326 -1.417 1
1 427 . 20 1 1 A 38 38 VAL CA C 38 64.496 66.887 -2.391 1
1 428 . 20 1 1 A 38 38 VAL CB C 38 29.015 31.627 -2.612 1
1 431 . 20 1 1 A 38 38 VAL N N 38 121.372 122.607 -1.235 1
1 432 . 20 1 1 A 39 39 GLU H H 39 8.597 8.532 0.065 1
1 433 . 20 1 1 A 39 39 GLU HA H 39 3.495 3.884 -0.389 1
1 438 . 20 1 1 A 39 39 GLU C C 39 174.769 178.419 -3.650 1
1 439 . 20 1 1 A 39 39 GLU CA C 39 58.418 58.991 -0.573 1
1 440 . 20 1 1 A 39 39 GLU CB C 39 27.358 29.127 -1.769 1
1 442 . 20 1 1 A 39 39 GLU N N 39 121.954 119.087 2.867 1
1 443 . 20 1 1 A 40 40 ASP H H 40 7.493 8.299 -0.806 1
1 444 . 20 1 1 A 40 40 ASP HA H 40 4.071 4.388 -0.317 1
1 447 . 20 1 1 A 40 40 ASP C C 40 176.738 178.289 -1.551 1
1 448 . 20 1 1 A 40 40 ASP CA C 40 55.877 57.208 -1.331 1
1 449 . 20 1 1 A 40 40 ASP CB C 40 38.721 40.833 -2.112 1
1 450 . 20 1 1 A 40 40 ASP N N 40 119.054 120.691 -1.637 1
1 451 . 20 1 1 A 41 41 PHE H H 41 8.429 8.029 0.400 1
1 452 . 20 1 1 A 41 41 PHE HA H 41 3.750 4.058 -0.308 1
1 460 . 20 1 1 A 41 41 PHE C C 41 173.786 176.962 -3.176 1
1 461 . 20 1 1 A 41 41 PHE CA C 41 59.851 60.880 -1.029 1
1 462 . 20 1 1 A 41 41 PHE CB C 41 36.135 39.055 -2.920 1
1 468 . 20 1 1 A 41 41 PHE N N 41 121.017 119.968 1.049 1
1 469 . 20 1 1 A 42 42 CYS H H 42 8.527 8.199 0.328 1
1 470 . 20 1 1 A 42 42 CYS HA H 42 3.752 4.169 -0.417 1
1 473 . 20 1 1 A 42 42 CYS C C 42 174.065 177.736 -3.671 1
1 474 . 20 1 1 A 42 42 CYS CA C 42 62.453 62.423 0.030 1
1 475 . 20 1 1 A 42 42 CYS CB C 42 24.429 27.052 -2.623 1
1 476 . 20 1 1 A 42 42 CYS N N 42 116.390 116.732 -0.342 1
1 477 . 20 1 1 A 43 43 MET H H 43 7.739 7.894 -0.155 1
1 478 . 20 1 1 A 43 43 MET HA H 43 3.885 4.140 -0.255 1
1 486 . 20 1 1 A 43 43 MET C C 43 175.345 178.682 -3.337 1
1 487 . 20 1 1 A 43 43 MET CA C 43 54.460 58.133 -3.673 1
1 488 . 20 1 1 A 43 43 MET CB C 43 28.872 32.939 -4.067 1
1 491 . 20 1 1 A 43 43 MET N N 43 114.377 119.483 -5.106 1
1 492 . 20 1 1 A 44 44 LYS H H 44 7.257 7.661 -0.404 1
1 493 . 20 1 1 A 44 44 LYS HA H 44 3.896 3.887 0.009 1
1 502 . 20 1 1 A 44 44 LYS C C 44 175.198 178.808 -3.610 1
1 503 . 20 1 1 A 44 44 LYS CA C 44 54.181 59.091 -4.910 1
1 504 . 20 1 1 A 44 44 LYS CB C 44 29.291 32.305 -3.014 1
1 508 . 20 1 1 A 44 44 LYS N N 44 117.480 118.522 -1.042 1
1 509 . 20 1 1 A 45 45 ILE H H 45 7.146 6.839 0.307 1
1 510 . 20 1 1 A 45 45 ILE HA H 45 3.697 3.928 -0.231 1
1 520 . 20 1 1 A 45 45 ILE C C 45 174.894 176.062 -1.168 1
1 521 . 20 1 1 A 45 45 ILE CA C 45 59.954 63.568 -3.614 1
1 522 . 20 1 1 A 45 45 ILE CB C 45 33.943 38.679 -4.736 1
1 526 . 20 1 1 A 45 45 ILE N N 45 119.267 117.121 2.146 1
1 527 . 20 1 1 A 46 46 HIS H H 46 7.982 7.984 -0.002 1
1 528 . 20 1 1 A 46 46 HIS HA H 46 4.200 4.778 -0.578 1
1 533 . 20 1 1 A 46 46 HIS C C 46 173.349 175.032 -1.683 1
1 534 . 20 1 1 A 46 46 HIS CA C 46 56.363 55.846 0.517 1
1 535 . 20 1 1 A 46 46 HIS CB C 46 30.998 32.855 -1.857 1
1 538 . 20 1 1 A 46 46 HIS N N 46 116.498 116.914 -0.416 1
1 539 . 20 1 1 A 47 47 LYS H H 47 8.478 9.001 -0.523 1
1 540 . 20 1 1 A 47 47 LYS HA H 47 4.091 3.892 0.199 1
1 545 . 20 1 1 A 47 47 LYS C C 47 174.519 178.900 -4.381 1
1 546 . 20 1 1 A 47 47 LYS CA C 47 57.279 60.195 -2.916 1
1 547 . 20 1 1 A 47 47 LYS CB C 47 29.709 32.535 -2.826 1
1 551 . 20 1 1 A 47 47 LYS N N 47 127.686 126.206 1.480 1
1 552 . 20 1 1 A 48 48 ASN H H 48 10.623 8.399 2.224 1
1 553 . 20 1 1 A 48 48 ASN HA H 48 4.839 4.521 0.318 1
1 558 . 20 1 1 A 48 48 ASN C C 48 175.138 177.488 -2.350 1
1 559 . 20 1 1 A 48 48 ASN CA C 48 50.960 55.895 -4.935 1
1 560 . 20 1 1 A 48 48 ASN CB C 48 36.975 39.490 -2.515 1
1 561 . 20 1 1 A 48 48 ASN N N 48 118.711 117.749 0.962 1
1 563 . 20 1 1 A 49 49 LEU H H 49 7.796 8.260 -0.464 1
1 564 . 20 1 1 A 49 49 LEU HA H 49 4.103 4.024 0.079 1
1 574 . 20 1 1 A 49 49 LEU C C 49 176.976 178.496 -1.520 1
1 575 . 20 1 1 A 49 49 LEU CA C 49 56.381 58.636 -2.255 1
1 576 . 20 1 1 A 49 49 LEU CB C 49 39.064 41.813 -2.749 1
1 580 . 20 1 1 A 49 49 LEU N N 49 124.676 120.471 4.205 1
1 581 . 20 1 1 A 50 50 ILE H H 50 9.052 8.177 0.875 1
1 582 . 20 1 1 A 50 50 ILE HA H 50 4.060 3.874 0.186 1
1 592 . 20 1 1 A 50 50 ILE C C 50 173.983 177.947 -3.964 1
1 593 . 20 1 1 A 50 50 ILE CA C 50 57.842 63.789 -5.947 1
1 594 . 20 1 1 A 50 50 ILE CB C 50 35.943 37.649 -1.706 1
1 598 . 20 1 1 A 50 50 ILE N N 50 116.565 119.043 -2.478 1
1 599 . 20 1 1 A 51 51 LYS H H 51 7.275 7.936 -0.661 1
1 600 . 20 1 1 A 51 51 LYS HA H 51 4.143 4.162 -0.019 1
1 609 . 20 1 1 A 51 51 LYS C C 51 175.668 177.751 -2.083 1
1 610 . 20 1 1 A 51 51 LYS CA C 51 55.696 59.446 -3.750 1
1 611 . 20 1 1 A 51 51 LYS CB C 51 29.767 32.067 -2.300 1
1 615 . 20 1 1 A 51 51 LYS N N 51 119.864 122.597 -2.733 1
1 616 . 20 1 1 A 52 52 GLU H H 52 7.590 7.754 -0.164 1
1 617 . 20 1 1 A 52 52 GLU HA H 52 4.319 4.475 -0.156 1
1 622 . 20 1 1 A 52 52 GLU C C 52 173.088 176.429 -3.341 1
1 623 . 20 1 1 A 52 52 GLU CA C 52 53.301 55.992 -2.691 1
1 624 . 20 1 1 A 52 52 GLU CB C 52 28.778 30.835 -2.057 1
1 626 . 20 1 1 A 52 52 GLU N N 52 116.453 116.763 -0.310 1
1 627 . 20 1 1 A 53 53 PHE H H 53 7.423 8.108 -0.685 1
1 628 . 20 1 1 A 53 53 PHE HA H 53 3.608 4.508 -0.900 1
1 636 . 20 1 1 A 53 53 PHE C C 53 170.946 175.404 -4.458 1
1 637 . 20 1 1 A 53 53 PHE CA C 53 57.983 59.275 -1.292 1
1 638 . 20 1 1 A 53 53 PHE CB C 53 38.913 39.993 -1.080 1
1 644 . 20 1 1 A 53 53 PHE N N 53 120.950 123.324 -2.374 1
1 645 . 20 1 1 A 54 54 LYS H H 54 8.385 8.887 -0.502 1
1 646 . 20 1 1 A 54 54 LYS HA H 54 4.268 4.188 0.080 1
1 655 . 20 1 1 A 54 54 LYS C C 54 173.038 175.276 -2.238 1
1 656 . 20 1 1 A 54 54 LYS CA C 54 55.263 57.157 -1.894 1
1 657 . 20 1 1 A 54 54 LYS CB C 54 32.730 33.752 -1.022 1
1 661 . 20 1 1 A 54 54 LYS N N 54 128.686 127.041 1.645 1
1 662 . 20 1 1 A 55 55 TYR H H 55 7.083 6.400 0.683 1
1 663 . 20 1 1 A 55 55 TYR HA H 55 4.120 4.586 -0.466 1
1 670 . 20 1 1 A 55 55 TYR C C 55 168.503 172.953 -4.450 1
1 671 . 20 1 1 A 55 55 TYR CA C 55 55.198 56.028 -0.830 1
1 672 . 20 1 1 A 55 55 TYR CB C 55 35.633 39.793 -4.160 1
1 677 . 20 1 1 A 55 55 TYR N N 55 110.963 112.840 -1.877 1
1 678 . 20 1 1 A 56 56 ALA H H 56 8.836 9.099 -0.263 1
1 679 . 20 1 1 A 56 56 ALA HA H 56 5.293 5.315 -0.022 1
1 683 . 20 1 1 A 56 56 ALA C C 56 172.993 176.029 -3.036 1
1 684 . 20 1 1 A 56 56 ALA CA C 56 47.088 50.802 -3.714 1
1 685 . 20 1 1 A 56 56 ALA CB C 56 20.287 22.933 -2.646 1
1 686 . 20 1 1 A 56 56 ALA N N 56 118.379 122.192 -3.813 1
1 687 . 20 1 1 A 57 57 LEU H H 57 8.880 8.894 -0.014 1
1 688 . 20 1 1 A 57 57 LEU HA H 57 4.854 4.905 -0.051 1
1 698 . 20 1 1 A 57 57 LEU C C 57 172.904 175.393 -2.489 1
1 699 . 20 1 1 A 57 57 LEU CA C 57 50.872 53.403 -2.531 1
1 700 . 20 1 1 A 57 57 LEU CB C 57 42.160 41.729 0.431 1
1 704 . 20 1 1 A 57 57 LEU N N 57 121.382 122.284 -0.902 1
1 705 . 20 1 1 A 58 58 VAL H H 58 8.123 8.194 -0.071 1
1 706 . 20 1 1 A 58 58 VAL HA H 58 5.243 4.284 0.959 1
1 714 . 20 1 1 A 58 58 VAL C C 58 171.929 175.038 -3.109 1
1 715 . 20 1 1 A 58 58 VAL CA C 58 57.683 62.406 -4.723 1
1 716 . 20 1 1 A 58 58 VAL CB C 58 33.036 32.048 0.988 1
1 719 . 20 1 1 A 58 58 VAL N N 58 120.400 124.850 -4.450 1
1 720 . 20 1 1 A 59 59 TRP H H 59 9.316 9.056 0.260 1
1 721 . 20 1 1 A 59 59 TRP HA H 59 4.843 5.074 -0.231 1
1 730 . 20 1 1 A 59 59 TRP C C 59 173.582 175.854 -2.272 1
1 731 . 20 1 1 A 59 59 TRP CA C 59 54.736 55.203 -0.467 1
1 732 . 20 1 1 A 59 59 TRP CB C 59 30.514 28.359 2.155 1
1 738 . 20 1 1 A 59 59 TRP N N 59 127.196 129.019 -1.823 1
1 740 . 20 1 1 A 60 60 GLY H H 60 8.531 8.303 0.228 1
1 741 . 20 1 1 A 60 60 GLY HA2 H 60 4.934 4.313 0.621 1
1 742 . 20 1 1 A 60 60 GLY HA3 H 60 4.123 4.329 -0.206 1
1 743 . 20 1 1 A 60 60 GLY C C 60 171.378 174.853 -3.475 1
1 744 . 20 1 1 A 60 60 GLY CA C 60 42.587 44.810 -2.223 1
1 745 . 20 1 1 A 60 60 GLY N N 60 110.481 109.789 0.692 1
1 746 . 20 1 1 A 61 61 LEU H H 61 8.188 8.797 -0.609 1
1 747 . 20 1 1 A 61 61 LEU HA H 61 4.141 3.992 0.149 1
1 757 . 20 1 1 A 61 61 LEU C C 61 176.897 178.985 -2.088 1
1 758 . 20 1 1 A 61 61 LEU CA C 61 54.357 57.465 -3.108 1
1 759 . 20 1 1 A 61 61 LEU CB C 61 39.942 41.711 -1.769 1
1 763 . 20 1 1 A 61 61 LEU N N 61 118.667 119.526 -0.859 1
1 764 . 20 1 1 A 62 62 SER H H 62 8.123 8.142 -0.019 1
1 765 . 20 1 1 A 62 62 SER HA H 62 4.284 4.164 0.120 1
1 768 . 20 1 1 A 62 62 SER C C 62 171.932 173.981 -2.049 1
1 769 . 20 1 1 A 62 62 SER CA C 62 57.279 61.037 -3.758 1
1 770 . 20 1 1 A 62 62 SER CB C 62 60.354 63.112 -2.758 1
1 771 . 20 1 1 A 62 62 SER N N 62 110.946 113.646 -2.700 1
1 772 . 20 1 1 A 63 63 VAL H H 63 7.174 7.682 -0.508 1
1 773 . 20 1 1 A 63 63 VAL HA H 63 4.503 4.608 -0.105 1
1 781 . 20 1 1 A 63 63 VAL C C 63 173.221 174.852 -1.631 1
1 782 . 20 1 1 A 63 63 VAL CA C 63 57.573 59.216 -1.643 1
1 783 . 20 1 1 A 63 63 VAL CB C 63 31.826 34.415 -2.589 1
1 786 . 20 1 1 A 63 63 VAL N N 63 114.625 115.145 -0.520 1
1 787 . 20 1 1 A 64 64 LYS H H 64 8.112 8.288 -0.176 1
1 788 . 20 1 1 A 64 64 LYS HA H 64 4.105 4.402 -0.297 1
1 796 . 20 1 1 A 64 64 LYS C C 64 174.259 176.250 -1.991 1
1 797 . 20 1 1 A 64 64 LYS CA C 64 54.586 57.160 -2.574 1
1 798 . 20 1 1 A 64 64 LYS CB C 64 30.837 33.887 -3.050 1
1 802 . 20 1 1 A 64 64 LYS N N 64 119.722 120.270 -0.548 1
1 803 . 20 1 1 A 65 65 HIS H H 65 7.496 7.964 -0.468 1
1 804 . 20 1 1 A 65 65 HIS HA H 65 4.497 5.190 -0.693 1
1 809 . 20 1 1 A 65 65 HIS C C 65 170.028 174.011 -3.983 1
1 810 . 20 1 1 A 65 65 HIS CA C 65 52.491 54.418 -1.927 1
1 811 . 20 1 1 A 65 65 HIS CB C 65 29.149 31.075 -1.926 1
1 814 . 20 1 1 A 65 65 HIS N N 65 117.336 116.270 1.066 1
1 815 . 20 1 1 A 66 66 ASN H H 66 8.135 8.940 -0.805 1
1 816 . 20 1 1 A 66 66 ASN HA H 66 4.986 5.013 -0.027 1
1 821 . 20 1 1 A 66 66 ASN C C 66 171.088 173.192 -2.104 1
1 822 . 20 1 1 A 66 66 ASN CA C 66 47.732 49.791 -2.059 1
1 823 . 20 1 1 A 66 66 ASN CB C 66 39.365 40.220 -0.855 1
1 824 . 20 1 1 A 66 66 ASN N N 66 118.616 122.279 -3.663 1
1 826 . 20 1 1 A 67 67 PRO HA H 67 4.408 4.175 0.233 1
1 833 . 20 1 1 A 67 67 PRO C C 67 173.325 175.396 -2.071 1
1 834 . 20 1 1 A 67 67 PRO CA C 67 60.535 62.531 -1.996 1
1 835 . 20 1 1 A 67 67 PRO CB C 67 31.065 32.458 -1.393 1
1 838 . 20 1 1 A 68 68 GLN H H 68 8.323 7.750 0.573 1
1 839 . 20 1 1 A 68 68 GLN HA H 68 4.295 4.579 -0.284 1
1 846 . 20 1 1 A 68 68 GLN C C 68 172.005 174.594 -2.589 1
1 847 . 20 1 1 A 68 68 GLN CA C 68 51.805 54.586 -2.781 1
1 848 . 20 1 1 A 68 68 GLN CB C 68 30.014 31.646 -1.632 1
1 850 . 20 1 1 A 68 68 GLN N N 68 118.089 120.902 -2.813 1
1 852 . 20 1 1 A 69 69 LYS H H 69 8.268 8.604 -0.336 1
1 853 . 20 1 1 A 69 69 LYS HA H 69 4.907 4.605 0.302 1
1 862 . 20 1 1 A 69 69 LYS C C 69 174.226 176.448 -2.222 1
1 863 . 20 1 1 A 69 69 LYS CA C 69 53.598 56.243 -2.645 1
1 864 . 20 1 1 A 69 69 LYS CB C 69 30.096 32.999 -2.903 1
1 868 . 20 1 1 A 69 69 LYS N N 69 125.766 127.976 -2.210 1
1 869 . 20 1 1 A 70 70 VAL H H 70 9.409 8.936 0.473 1
1 870 . 20 1 1 A 70 70 VAL HA H 70 4.723 4.972 -0.249 1
1 878 . 20 1 1 A 70 70 VAL C C 70 172.498 175.415 -2.917 1
1 879 . 20 1 1 A 70 70 VAL CA C 70 56.680 59.497 -2.817 1
1 880 . 20 1 1 A 70 70 VAL CB C 70 33.332 35.972 -2.640 1
1 883 . 20 1 1 A 70 70 VAL N N 70 120.660 119.624 1.036 1
1 884 . 20 1 1 A 71 71 GLY H H 71 8.445 8.674 -0.229 1
1 885 . 20 1 1 A 71 71 GLY HA2 H 71 4.961 4.283 0.678 1
1 886 . 20 1 1 A 71 71 GLY HA3 H 71 3.898 4.430 -0.532 1
1 887 . 20 1 1 A 71 71 GLY C C 71 172.669 174.886 -2.217 1
1 888 . 20 1 1 A 71 71 GLY CA C 71 40.896 44.816 -3.920 1
1 889 . 20 1 1 A 71 71 GLY N N 71 106.755 109.669 -2.914 1
1 890 . 20 1 1 A 72 72 LYS H H 72 8.573 8.924 -0.351 1
1 891 . 20 1 1 A 72 72 LYS HA H 72 3.454 4.239 -0.785 1
1 900 . 20 1 1 A 72 72 LYS C C 72 172.853 176.700 -3.847 1
1 901 . 20 1 1 A 72 72 LYS CA C 72 56.108 57.373 -1.265 1
1 902 . 20 1 1 A 72 72 LYS CB C 72 29.993 32.670 -2.677 1
1 906 . 20 1 1 A 72 72 LYS N N 72 114.685 117.835 -3.150 1
1 907 . 20 1 1 A 73 73 ASP H H 73 8.517 8.330 0.187 1
1 908 . 20 1 1 A 73 73 ASP HA H 73 4.543 4.792 -0.249 1
1 911 . 20 1 1 A 73 73 ASP C C 73 173.041 176.027 -2.986 1
1 912 . 20 1 1 A 73 73 ASP CA C 73 51.118 53.370 -2.252 1
1 913 . 20 1 1 A 73 73 ASP CB C 73 38.311 40.240 -1.929 1
1 914 . 20 1 1 A 73 73 ASP N N 73 115.449 117.858 -2.409 1
1 915 . 20 1 1 A 74 74 HIS H H 74 7.173 7.774 -0.601 1
1 916 . 20 1 1 A 74 74 HIS HA H 74 4.084 4.541 -0.457 1
1 921 . 20 1 1 A 74 74 HIS C C 74 172.466 174.545 -2.079 1
1 922 . 20 1 1 A 74 74 HIS CA C 74 55.483 57.510 -2.027 1
1 923 . 20 1 1 A 74 74 HIS CB C 74 29.868 30.699 -0.831 1
1 926 . 20 1 1 A 74 74 HIS N N 74 120.387 121.178 -0.791 1
1 927 . 20 1 1 A 75 75 THR H H 75 7.573 8.070 -0.497 1
1 928 . 20 1 1 A 75 75 THR HA H 75 3.562 4.414 -0.852 1
1 933 . 20 1 1 A 75 75 THR C C 75 170.555 174.174 -3.619 1
1 934 . 20 1 1 A 75 75 THR CA C 75 61.656 62.263 -0.607 1
1 935 . 20 1 1 A 75 75 THR CB C 75 66.449 69.377 -2.928 1
1 937 . 20 1 1 A 75 75 THR N N 75 123.519 120.224 3.295 1
1 938 . 20 1 1 A 76 76 LEU H H 76 8.300 8.643 -0.343 1
1 939 . 20 1 1 A 76 76 LEU HA H 76 4.187 4.597 -0.410 1
1 949 . 20 1 1 A 76 76 LEU C C 76 174.153 176.641 -2.488 1
1 950 . 20 1 1 A 76 76 LEU CA C 76 52.201 54.541 -2.340 1
1 951 . 20 1 1 A 76 76 LEU CB C 76 40.188 42.404 -2.216 1
1 955 . 20 1 1 A 76 76 LEU N N 76 127.705 127.578 0.127 1
1 956 . 20 1 1 A 77 77 GLU H H 77 9.006 8.672 0.334 1
1 957 . 20 1 1 A 77 77 GLU HA H 77 4.295 4.688 -0.393 1
1 962 . 20 1 1 A 77 77 GLU C C 77 172.035 175.818 -3.783 1
1 963 . 20 1 1 A 77 77 GLU CA C 77 51.734 54.329 -2.595 1
1 964 . 20 1 1 A 77 77 GLU CB C 77 30.671 32.470 -1.799 1
1 966 . 20 1 1 A 77 77 GLU N N 77 120.330 122.360 -2.030 1
1 967 . 20 1 1 A 78 78 ASP H H 78 8.375 8.629 -0.254 1
1 968 . 20 1 1 A 78 78 ASP HA H 78 4.289 4.457 -0.168 1
1 971 . 20 1 1 A 78 78 ASP C C 78 174.522 175.980 -1.458 1
1 972 . 20 1 1 A 78 78 ASP CA C 78 54.779 54.812 -0.033 1
1 973 . 20 1 1 A 78 78 ASP CB C 78 39.200 40.696 -1.496 1
1 974 . 20 1 1 A 78 78 ASP N N 78 116.751 121.676 -4.925 1
1 975 . 20 1 1 A 79 79 GLU H H 79 9.867 8.808 1.059 1
1 976 . 20 1 1 A 79 79 GLU HA H 79 3.685 3.866 -0.181 1
1 981 . 20 1 1 A 79 79 GLU C C 79 172.755 174.731 -1.976 1
1 982 . 20 1 1 A 79 79 GLU CA C 79 57.384 57.262 0.122 1
1 983 . 20 1 1 A 79 79 GLU CB C 79 24.429 27.658 -3.229 1
1 985 . 20 1 1 A 79 79 GLU N N 79 119.409 116.969 2.440 1
1 986 . 20 1 1 A 80 80 ASP H H 80 8.212 7.078 1.134 1
1 987 . 20 1 1 A 80 80 ASP HA H 80 4.833 5.374 -0.541 1
1 990 . 20 1 1 A 80 80 ASP C C 80 171.935 174.813 -2.878 1
1 991 . 20 1 1 A 80 80 ASP CA C 80 53.900 53.244 0.656 1
1 992 . 20 1 1 A 80 80 ASP CB C 80 39.633 44.358 -4.725 1
1 993 . 20 1 1 A 80 80 ASP N N 80 121.227 117.409 3.818 1
1 994 . 20 1 1 A 81 81 VAL H H 81 8.638 9.073 -0.435 1
1 995 . 20 1 1 A 81 81 VAL HA H 81 5.055 5.295 -0.240 1
1 1003 . 20 1 1 A 81 81 VAL C C 81 172.826 174.910 -2.084 1
1 1004 . 20 1 1 A 81 81 VAL CA C 81 57.723 61.975 -4.252 1
1 1005 . 20 1 1 A 81 81 VAL CB C 81 31.767 33.434 -1.667 1
1 1008 . 20 1 1 A 81 81 VAL N N 81 118.946 123.491 -4.545 1
1 1009 . 20 1 1 A 82 82 ILE H H 82 9.007 8.507 0.500 1
1 1010 . 20 1 1 A 82 82 ILE HA H 82 5.789 5.301 0.488 1
1 1020 . 20 1 1 A 82 82 ILE C C 82 170.143 173.284 -3.141 1
1 1021 . 20 1 1 A 82 82 ILE CA C 82 55.824 59.197 -3.373 1
1 1022 . 20 1 1 A 82 82 ILE CB C 82 41.574 42.240 -0.666 1
1 1026 . 20 1 1 A 82 82 ILE N N 82 124.391 128.200 -3.809 1
1 1027 . 20 1 1 A 83 83 GLN H H 83 9.415 9.086 0.329 1
1 1028 . 20 1 1 A 83 83 GLN HA H 83 4.815 4.954 -0.139 1
1 1035 . 20 1 1 A 83 83 GLN C C 83 172.719 174.791 -2.072 1
1 1036 . 20 1 1 A 83 83 GLN CA C 83 52.016 54.711 -2.695 1
1 1037 . 20 1 1 A 83 83 GLN CB C 83 32.094 30.592 1.502 1
1 1039 . 20 1 1 A 83 83 GLN N N 83 127.774 128.805 -1.031 1
1 1041 . 20 1 1 A 84 84 ILE H H 84 8.878 8.741 0.137 1
1 1042 . 20 1 1 A 84 84 ILE HA H 84 4.074 4.323 -0.249 1
1 1052 . 20 1 1 A 84 84 ILE C C 84 173.096 175.454 -2.358 1
1 1053 . 20 1 1 A 84 84 ILE CA C 84 57.372 62.061 -4.689 1
1 1054 . 20 1 1 A 84 84 ILE CB C 84 34.771 37.310 -2.539 1
1 1058 . 20 1 1 A 84 84 ILE N N 84 126.673 126.853 -0.180 1
1 1059 . 20 1 1 A 85 85 VAL H H 85 8.562 8.901 -0.339 1
1 1060 . 20 1 1 A 85 85 VAL HA H 85 3.914 4.382 -0.468 1
1 1068 . 20 1 1 A 85 85 VAL C C 85 172.438 174.794 -2.356 1
1 1069 . 20 1 1 A 85 85 VAL CA C 85 60.112 60.837 -0.725 1
1 1070 . 20 1 1 A 85 85 VAL CB C 85 28.964 32.002 -3.038 1
1 1073 . 20 1 1 A 85 85 VAL N N 85 130.400 128.723 1.677 1
1 1074 . 20 1 1 A 86 86 LYS H H 86 8.399 8.674 -0.275 1
1 1075 . 20 1 1 A 86 86 LYS HA H 86 4.640 4.848 -0.208 1
1 1084 . 20 1 1 A 86 86 LYS C C 86 174.388 177.145 -2.757 1
1 1085 . 20 1 1 A 86 86 LYS CA C 86 53.301 55.845 -2.544 1
1 1086 . 20 1 1 A 86 86 LYS CB C 86 32.587 33.324 -0.737 1
1 1090 . 20 1 1 A 86 86 LYS N N 86 126.582 127.523 -0.941 1
1 1091 . 20 1 1 A 87 87 LYS H H 87 8.485 8.636 -0.151 1
1 1092 . 20 1 1 A 87 87 LYS HA H 87 3.923 4.237 -0.314 1
1 1101 . 20 1 1 A 87 87 LYS C C 87 174.196 177.426 -3.230 1
1 1102 . 20 1 1 A 87 87 LYS CA C 87 55.171 55.978 -0.807 1
1 1103 . 20 1 1 A 87 87 LYS CB C 87 31.274 33.058 -1.784 1
1 1107 . 20 1 1 A 87 87 LYS N N 87 119.203 124.319 -5.116 1
1 1108 . 20 1 1 A 89 89 GLY HA2 H 89 4.034 4.020 0.014 1
1 1109 . 20 1 1 A 89 89 GLY HA3 H 89 4.034 4.020 0.014 1
1 1110 . 20 1 1 A 89 89 GLY CA C 89 42.366 43.927 -1.561 1
1 1111 . 20 1 1 A 90 90 PRO HA H 90 4.369 4.654 -0.285 1
1 1118 . 20 1 1 A 90 90 PRO CA C 90 61.070 62.627 -1.557 1
1 1119 . 20 1 1 A 90 90 PRO CB C 90 29.818 32.455 -2.637 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 81 2.669 1
2 1 1 1 "RMS(OBS, PRED)" CA 83 2.764 1
3 1 1 1 "RMS(OBS, PRED)" CB 78 2.648 1
4 1 1 1 "RMS(OBS, PRED)" H 74 0.634 1
5 1 1 1 "RMS(OBS, PRED)" HA 88 0.420 1
6 1 1 1 "RMS(OBS, PRED)" N 74 3.309 1
7 1 2 1 "RMS(OBS, PRED)" C 81 2.775 1
8 1 2 1 "RMS(OBS, PRED)" CA 83 2.763 1
9 1 2 1 "RMS(OBS, PRED)" CB 78 2.703 1
10 1 2 1 "RMS(OBS, PRED)" H 74 0.605 1
11 1 2 1 "RMS(OBS, PRED)" HA 88 0.393 1
12 1 2 1 "RMS(OBS, PRED)" N 74 3.065 1
13 1 3 1 "RMS(OBS, PRED)" C 81 2.750 1
14 1 3 1 "RMS(OBS, PRED)" CA 83 2.862 1
15 1 3 1 "RMS(OBS, PRED)" CB 78 2.675 1
16 1 3 1 "RMS(OBS, PRED)" H 74 0.611 1
17 1 3 1 "RMS(OBS, PRED)" HA 88 0.373 1
18 1 3 1 "RMS(OBS, PRED)" N 74 3.373 1
19 1 4 1 "RMS(OBS, PRED)" C 81 2.724 1
20 1 4 1 "RMS(OBS, PRED)" CA 83 2.758 1
21 1 4 1 "RMS(OBS, PRED)" CB 78 2.677 1
22 1 4 1 "RMS(OBS, PRED)" H 74 0.607 1
23 1 4 1 "RMS(OBS, PRED)" HA 88 0.385 1
24 1 4 1 "RMS(OBS, PRED)" N 74 3.049 1
25 1 5 1 "RMS(OBS, PRED)" C 81 2.768 1
26 1 5 1 "RMS(OBS, PRED)" CA 83 2.840 1
27 1 5 1 "RMS(OBS, PRED)" CB 78 2.675 1
28 1 5 1 "RMS(OBS, PRED)" H 74 0.640 1
29 1 5 1 "RMS(OBS, PRED)" HA 88 0.411 1
30 1 5 1 "RMS(OBS, PRED)" N 74 3.108 1
31 1 6 1 "RMS(OBS, PRED)" C 81 2.774 1
32 1 6 1 "RMS(OBS, PRED)" CA 83 2.876 1
33 1 6 1 "RMS(OBS, PRED)" CB 78 2.561 1
34 1 6 1 "RMS(OBS, PRED)" H 74 0.571 1
35 1 6 1 "RMS(OBS, PRED)" HA 88 0.404 1
36 1 6 1 "RMS(OBS, PRED)" N 74 3.101 1
37 1 7 1 "RMS(OBS, PRED)" C 81 2.783 1
38 1 7 1 "RMS(OBS, PRED)" CA 83 2.875 1
39 1 7 1 "RMS(OBS, PRED)" CB 78 2.649 1
40 1 7 1 "RMS(OBS, PRED)" H 74 0.600 1
41 1 7 1 "RMS(OBS, PRED)" HA 88 0.396 1
42 1 7 1 "RMS(OBS, PRED)" N 74 3.108 1
43 1 8 1 "RMS(OBS, PRED)" C 81 2.829 1
44 1 8 1 "RMS(OBS, PRED)" CA 83 2.931 1
45 1 8 1 "RMS(OBS, PRED)" CB 78 2.563 1
46 1 8 1 "RMS(OBS, PRED)" H 74 0.582 1
47 1 8 1 "RMS(OBS, PRED)" HA 88 0.403 1
48 1 8 1 "RMS(OBS, PRED)" N 74 3.131 1
49 1 9 1 "RMS(OBS, PRED)" C 81 2.888 1
50 1 9 1 "RMS(OBS, PRED)" CA 83 2.960 1
51 1 9 1 "RMS(OBS, PRED)" CB 78 2.557 1
52 1 9 1 "RMS(OBS, PRED)" H 74 0.575 1
53 1 9 1 "RMS(OBS, PRED)" HA 88 0.396 1
54 1 9 1 "RMS(OBS, PRED)" N 74 3.114 1
55 1 10 1 "RMS(OBS, PRED)" C 81 2.761 1
56 1 10 1 "RMS(OBS, PRED)" CA 83 2.841 1
57 1 10 1 "RMS(OBS, PRED)" CB 78 2.606 1
58 1 10 1 "RMS(OBS, PRED)" H 74 0.587 1
59 1 10 1 "RMS(OBS, PRED)" HA 88 0.393 1
60 1 10 1 "RMS(OBS, PRED)" N 74 3.443 1
61 1 11 1 "RMS(OBS, PRED)" C 81 2.808 1
62 1 11 1 "RMS(OBS, PRED)" CA 83 2.751 1
63 1 11 1 "RMS(OBS, PRED)" CB 78 2.582 1
64 1 11 1 "RMS(OBS, PRED)" H 74 0.606 1
65 1 11 1 "RMS(OBS, PRED)" HA 88 0.392 1
66 1 11 1 "RMS(OBS, PRED)" N 74 3.121 1
67 1 12 1 "RMS(OBS, PRED)" C 81 2.808 1
68 1 12 1 "RMS(OBS, PRED)" CA 83 2.941 1
69 1 12 1 "RMS(OBS, PRED)" CB 78 2.600 1
70 1 12 1 "RMS(OBS, PRED)" H 74 0.556 1
71 1 12 1 "RMS(OBS, PRED)" HA 88 0.423 1
72 1 12 1 "RMS(OBS, PRED)" N 74 3.102 1
73 1 13 1 "RMS(OBS, PRED)" C 81 2.686 1
74 1 13 1 "RMS(OBS, PRED)" CA 83 2.737 1
75 1 13 1 "RMS(OBS, PRED)" CB 78 2.618 1
76 1 13 1 "RMS(OBS, PRED)" H 74 0.650 1
77 1 13 1 "RMS(OBS, PRED)" HA 88 0.389 1
78 1 13 1 "RMS(OBS, PRED)" N 74 3.150 1
79 1 14 1 "RMS(OBS, PRED)" C 81 2.710 1
80 1 14 1 "RMS(OBS, PRED)" CA 83 2.763 1
81 1 14 1 "RMS(OBS, PRED)" CB 78 2.674 1
82 1 14 1 "RMS(OBS, PRED)" H 74 0.586 1
83 1 14 1 "RMS(OBS, PRED)" HA 88 0.409 1
84 1 14 1 "RMS(OBS, PRED)" N 74 3.125 1
85 1 15 1 "RMS(OBS, PRED)" C 81 2.857 1
86 1 15 1 "RMS(OBS, PRED)" CA 83 2.901 1
87 1 15 1 "RMS(OBS, PRED)" CB 78 2.655 1
88 1 15 1 "RMS(OBS, PRED)" H 74 0.635 1
89 1 15 1 "RMS(OBS, PRED)" HA 88 0.375 1
90 1 15 1 "RMS(OBS, PRED)" N 74 3.164 1
91 1 16 1 "RMS(OBS, PRED)" C 81 2.735 1
92 1 16 1 "RMS(OBS, PRED)" CA 83 2.818 1
93 1 16 1 "RMS(OBS, PRED)" CB 78 2.633 1
94 1 16 1 "RMS(OBS, PRED)" H 74 0.583 1
95 1 16 1 "RMS(OBS, PRED)" HA 88 0.387 1
96 1 16 1 "RMS(OBS, PRED)" N 74 3.095 1
97 1 17 1 "RMS(OBS, PRED)" C 81 2.809 1
98 1 17 1 "RMS(OBS, PRED)" CA 83 2.910 1
99 1 17 1 "RMS(OBS, PRED)" CB 78 2.580 1
100 1 17 1 "RMS(OBS, PRED)" H 74 0.619 1
101 1 17 1 "RMS(OBS, PRED)" HA 88 0.408 1
102 1 17 1 "RMS(OBS, PRED)" N 74 3.158 1
103 1 18 1 "RMS(OBS, PRED)" C 81 2.748 1
104 1 18 1 "RMS(OBS, PRED)" CA 83 2.867 1
105 1 18 1 "RMS(OBS, PRED)" CB 78 2.592 1
106 1 18 1 "RMS(OBS, PRED)" H 74 0.594 1
107 1 18 1 "RMS(OBS, PRED)" HA 88 0.399 1
108 1 18 1 "RMS(OBS, PRED)" N 74 3.320 1
109 1 19 1 "RMS(OBS, PRED)" C 81 2.756 1
110 1 19 1 "RMS(OBS, PRED)" CA 83 2.842 1
111 1 19 1 "RMS(OBS, PRED)" CB 78 2.578 1
112 1 19 1 "RMS(OBS, PRED)" H 74 0.548 1
113 1 19 1 "RMS(OBS, PRED)" HA 88 0.385 1
114 1 19 1 "RMS(OBS, PRED)" N 74 2.997 1
115 1 20 1 "RMS(OBS, PRED)" C 81 2.739 1
116 1 20 1 "RMS(OBS, PRED)" CA 83 2.839 1
117 1 20 1 "RMS(OBS, PRED)" CB 78 2.562 1
118 1 20 1 "RMS(OBS, PRED)" H 74 0.568 1
119 1 20 1 "RMS(OBS, PRED)" HA 88 0.384 1
120 1 20 1 "RMS(OBS, PRED)" N 74 3.174 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 7 7 GLY HA2 H 7 3.759 3.981 -0.222 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.759 4.072 -0.313 2
1 3 . 1 1 A 7 7 GLY C C 7 171.455 173.875 -2.420 2
1 4 . 1 1 A 7 7 GLY CA C 7 42.980 45.529 -2.549 2
1 5 . 1 1 A 8 8 TYR H H 8 7.813 8.137 -0.324 2
1 6 . 1 1 A 8 8 TYR HA H 8 4.391 4.588 -0.197 2
1 13 . 1 1 A 8 8 TYR C C 8 173.043 175.563 -2.520 2
1 14 . 1 1 A 8 8 TYR CA C 8 55.501 58.163 -2.662 2
1 15 . 1 1 A 8 8 TYR CB C 8 36.317 38.937 -2.620 2
1 20 . 1 1 A 8 8 TYR N N 8 119.411 121.805 -2.394 2
1 21 . 1 1 A 9 9 LEU H H 9 7.861 7.450 0.411 2
1 22 . 1 1 A 9 9 LEU HA H 9 4.118 4.306 -0.188 2
1 32 . 1 1 A 9 9 LEU C C 9 173.714 175.806 -2.092 2
1 33 . 1 1 A 9 9 LEU CA C 9 52.544 54.459 -1.915 2
1 34 . 1 1 A 9 9 LEU CB C 9 40.106 41.453 -1.347 2
1 38 . 1 1 A 9 9 LEU N N 9 123.594 123.025 0.569 2
1 39 . 1 1 A 10 10 LYS H H 10 7.976 8.373 -0.397 2
1 40 . 1 1 A 10 10 LYS HA H 10 4.108 4.403 -0.295 2
1 49 . 1 1 A 10 10 LYS C C 10 172.845 175.786 -2.941 2
1 50 . 1 1 A 10 10 LYS CA C 10 54.150 56.238 -2.088 2
1 51 . 1 1 A 10 10 LYS CB C 10 30.736 33.158 -2.422 2
1 55 . 1 1 A 10 10 LYS N N 10 122.047 127.177 -5.130 2
1 56 . 1 1 A 11 11 LEU H H 11 8.102 8.535 -0.433 2
1 57 . 1 1 A 11 11 LEU HA H 11 4.711 5.113 -0.402 2
1 67 . 1 1 A 11 11 LEU C C 11 173.849 175.915 -2.066 2
1 68 . 1 1 A 11 11 LEU CA C 11 51.523 53.525 -2.002 2
1 69 . 1 1 A 11 11 LEU CB C 11 41.767 43.979 -2.212 2
1 73 . 1 1 A 11 11 LEU N N 11 123.872 125.403 -1.531 2
1 74 . 1 1 A 12 12 VAL H H 12 8.956 8.944 0.012 2
1 75 . 1 1 A 12 12 VAL HA H 12 4.044 4.794 -0.750 2
1 83 . 1 1 A 12 12 VAL C C 12 171.356 174.802 -3.446 2
1 84 . 1 1 A 12 12 VAL CA C 12 59.549 60.527 -0.978 2
1 85 . 1 1 A 12 12 VAL CB C 12 31.500 33.941 -2.441 2
1 88 . 1 1 A 12 12 VAL N N 12 122.036 122.279 -0.243 2
1 89 . 1 1 A 13 13 ARG H H 13 9.211 8.798 0.413 2
1 90 . 1 1 A 13 13 ARG HA H 13 4.434 4.872 -0.438 2
1 98 . 1 1 A 13 13 ARG C C 13 171.964 175.186 -3.222 2
1 99 . 1 1 A 13 13 ARG CA C 13 52.791 55.443 -2.652 2
1 100 . 1 1 A 13 13 ARG CB C 13 29.067 31.659 -2.592 2
1 103 . 1 1 A 13 13 ARG N N 13 125.178 125.006 0.172 2
1 105 . 1 1 A 14 14 ILE H H 14 8.811 8.710 0.101 2
1 106 . 1 1 A 14 14 ILE HA H 14 4.592 4.717 -0.125 2
1 116 . 1 1 A 14 14 ILE C C 14 173.197 174.553 -1.356 2
1 117 . 1 1 A 14 14 ILE CA C 14 55.308 60.119 -4.811 2
1 118 . 1 1 A 14 14 ILE CB C 14 36.411 40.406 -3.995 2
1 122 . 1 1 A 14 14 ILE N N 14 122.061 123.417 -1.356 2
1 123 . 1 1 A 15 15 TYR H H 15 8.781 8.863 -0.082 2
1 124 . 1 1 A 15 15 TYR HA H 15 5.103 4.920 0.183 2
1 131 . 1 1 A 15 15 TYR C C 15 172.764 175.460 -2.696 2
1 132 . 1 1 A 15 15 TYR CA C 15 53.740 57.283 -3.543 2
1 133 . 1 1 A 15 15 TYR CB C 15 37.340 37.894 -0.554 2
1 138 . 1 1 A 15 15 TYR N N 15 125.241 127.460 -2.219 2
1 139 . 1 1 A 16 16 THR H H 16 8.961 8.929 0.032 2
1 140 . 1 1 A 16 16 THR HA H 16 4.806 4.536 0.270 2
1 145 . 1 1 A 16 16 THR C C 16 171.478 173.358 -1.880 2
1 146 . 1 1 A 16 16 THR CA C 16 59.180 62.923 -3.743 2
1 147 . 1 1 A 16 16 THR CB C 16 68.174 69.780 -1.606 2
1 149 . 1 1 A 16 16 THR N N 16 116.007 120.977 -4.970 2
1 150 . 1 1 A 17 17 LYS H H 17 8.397 8.731 -0.334 2
1 151 . 1 1 A 17 17 LYS HA H 17 4.446 4.926 -0.480 2
1 160 . 1 1 A 17 17 LYS C C 17 170.870 174.777 -3.907 2
1 161 . 1 1 A 17 17 LYS CA C 17 50.238 52.746 -2.508 2
1 162 . 1 1 A 17 17 LYS CB C 17 32.677 34.180 -1.503 2
1 166 . 1 1 A 17 17 LYS N N 17 125.122 128.642 -3.520 2
1 167 . 1 1 A 18 18 PRO HA H 18 4.474 4.616 -0.142 2
1 174 . 1 1 A 18 18 PRO C C 18 174.170 176.752 -2.582 2
1 175 . 1 1 A 18 18 PRO CA C 18 59.250 62.598 -3.348 2
1 176 . 1 1 A 18 18 PRO CB C 18 29.517 32.285 -2.768 2
1 179 . 1 1 A 19 19 LYS H H 19 8.467 8.413 0.054 2
1 180 . 1 1 A 19 19 LYS HA H 19 3.887 4.222 -0.335 2
1 187 . 1 1 A 19 19 LYS C C 19 175.944 176.986 -1.041 2
1 188 . 1 1 A 19 19 LYS CA C 19 55.732 56.558 -0.826 2
1 189 . 1 1 A 19 19 LYS CB C 19 29.818 32.106 -2.288 2
1 193 . 1 1 A 19 19 LYS N N 19 121.921 120.016 1.905 2
1 194 . 1 1 A 20 20 GLY HA2 H 20 3.958 4.004 -0.046 2
1 195 . 1 1 A 20 20 GLY HA3 H 20 3.676 4.005 -0.329 2
1 196 . 1 1 A 20 20 GLY C C 20 171.329 174.445 -3.116 2
1 197 . 1 1 A 20 20 GLY CA C 20 43.304 45.275 -1.971 2
1 198 . 1 1 A 21 21 GLN H H 21 7.553 7.819 -0.266 2
1 199 . 1 1 A 21 21 GLN HA H 21 4.581 4.529 0.052 2
1 206 . 1 1 A 21 21 GLN C C 21 172.091 175.546 -3.455 2
1 207 . 1 1 A 21 21 GLN CA C 21 51.330 55.276 -3.946 2
1 208 . 1 1 A 21 21 GLN CB C 21 29.767 30.505 -0.738 2
1 210 . 1 1 A 21 21 GLN N N 21 117.269 120.519 -3.250 2
1 212 . 1 1 A 22 22 LEU H H 22 8.048 8.401 -0.353 2
1 213 . 1 1 A 22 22 LEU HA H 22 4.292 4.742 -0.450 2
1 223 . 1 1 A 22 22 LEU C C 22 171.986 174.919 -2.933 2
1 224 . 1 1 A 22 22 LEU CA C 22 50.950 52.696 -1.746 2
1 225 . 1 1 A 22 22 LEU CB C 22 38.362 41.843 -3.481 2
1 229 . 1 1 A 22 22 LEU N N 22 119.689 121.319 -1.630 2
1 230 . 1 1 A 23 23 PRO HA H 23 4.196 4.741 -0.545 2
1 237 . 1 1 A 23 23 PRO C C 23 172.331 176.392 -4.061 2
1 238 . 1 1 A 23 23 PRO CA C 23 59.882 62.517 -2.635 2
1 239 . 1 1 A 23 23 PRO CB C 23 28.948 31.668 -2.720 2
1 242 . 1 1 A 24 24 ASP H H 24 8.191 8.305 -0.114 2
1 243 . 1 1 A 24 24 ASP HA H 24 4.649 4.536 0.113 2
1 246 . 1 1 A 24 24 ASP C C 24 175.312 175.758 -0.446 2
1 247 . 1 1 A 24 24 ASP CA C 24 49.710 54.352 -4.643 2
1 248 . 1 1 A 24 24 ASP CB C 24 37.229 41.164 -3.935 2
1 249 . 1 1 A 24 24 ASP N N 24 118.307 121.589 -3.282 2
1 250 . 1 1 A 25 25 TYR H H 25 8.171 8.821 -0.650 2
1 251 . 1 1 A 25 25 TYR HA H 25 4.173 4.795 -0.622 2
1 258 . 1 1 A 25 25 TYR C C 25 173.720 176.144 -2.424 2
1 259 . 1 1 A 25 25 TYR CA C 25 57.297 57.999 -0.702 2
1 260 . 1 1 A 25 25 TYR CB C 25 34.897 38.947 -4.050 2
1 265 . 1 1 A 25 25 TYR N N 25 123.576 122.294 1.282 2
1 266 . 1 1 A 26 26 THR H H 26 8.278 8.026 0.252 2
1 267 . 1 1 A 26 26 THR HA H 26 4.343 4.625 -0.282 2
1 272 . 1 1 A 26 26 THR C C 26 173.145 174.831 -1.686 2
1 273 . 1 1 A 26 26 THR CA C 26 60.799 62.933 -2.134 2
1 274 . 1 1 A 26 26 THR CB C 26 67.379 70.433 -3.054 2
1 276 . 1 1 A 26 26 THR N N 26 109.145 113.361 -4.216 2
1 277 . 1 1 A 27 27 SER H H 27 7.085 8.072 -0.987 2
1 278 . 1 1 A 27 27 SER HA H 27 5.002 4.913 0.089 2
1 281 . 1 1 A 27 27 SER C C 27 169.729 172.161 -2.432 2
1 282 . 1 1 A 27 27 SER CA C 27 52.526 55.945 -3.419 2
1 283 . 1 1 A 27 27 SER CB C 27 61.215 63.738 -2.523 2
1 284 . 1 1 A 27 27 SER N N 27 114.134 116.413 -2.279 2
1 285 . 1 1 A 28 28 PRO HA H 28 4.553 4.654 -0.101 2
1 292 . 1 1 A 28 28 PRO C C 28 174.448 175.591 -1.143 2
1 293 . 1 1 A 28 28 PRO CA C 28 60.482 62.455 -1.973 2
1 294 . 1 1 A 28 28 PRO CB C 28 29.224 32.859 -3.635 2
1 297 . 1 1 A 29 29 VAL H H 29 9.191 8.168 1.023 2
1 298 . 1 1 A 29 29 VAL HA H 29 3.946 4.506 -0.560 2
1 306 . 1 1 A 29 29 VAL C C 29 172.641 174.236 -1.595 2
1 307 . 1 1 A 29 29 VAL CA C 29 60.367 60.672 -0.305 2
1 308 . 1 1 A 29 29 VAL CB C 29 30.546 33.829 -3.283 2
1 311 . 1 1 A 29 29 VAL N N 29 123.735 120.916 2.819 2
1 312 . 1 1 A 30 30 VAL H H 30 8.169 8.906 -0.737 2
1 313 . 1 1 A 30 30 VAL HA H 30 4.940 4.569 0.371 2
1 321 . 1 1 A 30 30 VAL C C 30 173.560 175.082 -1.522 2
1 322 . 1 1 A 30 30 VAL CA C 30 58.568 62.020 -3.453 2
1 323 . 1 1 A 30 30 VAL CB C 30 30.303 31.609 -1.306 2
1 326 . 1 1 A 30 30 VAL N N 30 125.255 130.170 -4.915 2
1 327 . 1 1 A 31 31 LEU H H 31 8.889 8.677 0.212 2
1 328 . 1 1 A 31 31 LEU HA H 31 4.816 4.747 0.068 2
1 338 . 1 1 A 31 31 LEU C C 31 171.113 174.765 -3.652 2
1 339 . 1 1 A 31 31 LEU CA C 31 48.760 52.162 -3.402 2
1 340 . 1 1 A 31 31 LEU CB C 31 40.938 42.427 -1.489 2
1 344 . 1 1 A 31 31 LEU N N 31 127.017 129.138 -2.121 2
1 345 . 1 1 A 32 32 PRO HA H 32 4.531 4.690 -0.159 2
1 352 . 1 1 A 32 32 PRO C C 32 174.294 177.559 -3.265 2
1 353 . 1 1 A 32 32 PRO CA C 32 59.648 62.792 -3.144 2
1 354 . 1 1 A 32 32 PRO CB C 32 29.349 31.835 -2.486 2
1 357 . 1 1 A 33 33 TYR H H 33 8.105 8.732 -0.627 2
1 358 . 1 1 A 33 33 TYR HA H 33 3.788 3.991 -0.203 2
1 365 . 1 1 A 33 33 TYR C C 33 173.470 177.159 -3.689 2
1 366 . 1 1 A 33 33 TYR CA C 33 58.159 62.286 -4.127 2
1 367 . 1 1 A 33 33 TYR CB C 33 36.244 39.072 -2.828 2
1 372 . 1 1 A 33 33 TYR N N 33 120.060 126.426 -6.366 2
1 373 . 1 1 A 34 34 SER H H 34 7.868 8.411 -0.543 2
1 374 . 1 1 A 34 34 SER HA H 34 3.814 4.316 -0.502 2
1 377 . 1 1 A 34 34 SER C C 34 171.946 174.400 -2.454 2
1 378 . 1 1 A 34 34 SER CA C 34 58.212 61.566 -3.354 2
1 379 . 1 1 A 34 34 SER CB C 34 60.928 63.123 -2.195 2
1 380 . 1 1 A 34 34 SER N N 34 116.733 114.410 2.323 2
1 381 . 1 1 A 35 35 ARG H H 35 7.883 8.157 -0.274 2
1 382 . 1 1 A 35 35 ARG HA H 35 4.575 4.663 -0.088 2
1 389 . 1 1 A 35 35 ARG C C 35 172.091 174.637 -2.546 2
1 390 . 1 1 A 35 35 ARG CA C 35 52.067 54.870 -2.803 2
1 391 . 1 1 A 35 35 ARG CB C 35 28.228 31.361 -3.133 2
1 394 . 1 1 A 35 35 ARG N N 35 125.492 119.434 6.058 2
1 395 . 1 1 A 36 36 THR H H 36 7.874 8.622 -0.748 2
1 396 . 1 1 A 36 36 THR HA H 36 4.613 5.264 -0.651 2
1 401 . 1 1 A 36 36 THR C C 36 173.095 173.387 -0.292 2
1 402 . 1 1 A 36 36 THR CA C 36 57.029 60.545 -3.516 2
1 403 . 1 1 A 36 36 THR CB C 36 66.113 70.822 -4.709 2
1 405 . 1 1 A 36 36 THR N N 36 107.510 114.561 -7.051 2
1 406 . 1 1 A 37 37 THR H H 37 8.804 8.453 0.351 2
1 407 . 1 1 A 37 37 THR HA H 37 5.288 4.679 0.609 2
1 412 . 1 1 A 37 37 THR C C 37 174.234 174.437 -0.203 2
1 413 . 1 1 A 37 37 THR CA C 37 59.681 60.640 -0.959 2
1 414 . 1 1 A 37 37 THR CB C 37 70.032 70.977 -0.945 2
1 416 . 1 1 A 37 37 THR N N 37 112.714 117.009 -4.295 2
1 417 . 1 1 A 38 38 VAL H H 38 8.269 8.899 -0.630 2
1 418 . 1 1 A 38 38 VAL HA H 38 3.485 3.615 -0.130 2
1 426 . 1 1 A 38 38 VAL C C 38 175.909 177.347 -1.438 2
1 427 . 1 1 A 38 38 VAL CA C 38 64.496 66.762 -2.266 2
1 428 . 1 1 A 38 38 VAL CB C 38 29.015 31.464 -2.449 2
1 431 . 1 1 A 38 38 VAL N N 38 121.372 122.581 -1.209 2
1 432 . 1 1 A 39 39 GLU H H 39 8.597 8.179 0.418 2
1 433 . 1 1 A 39 39 GLU HA H 39 3.495 3.897 -0.402 2
1 438 . 1 1 A 39 39 GLU C C 39 174.769 178.405 -3.636 2
1 439 . 1 1 A 39 39 GLU CA C 39 58.418 58.967 -0.549 2
1 440 . 1 1 A 39 39 GLU CB C 39 27.358 28.872 -1.514 2
1 442 . 1 1 A 39 39 GLU N N 39 121.954 119.195 2.759 2
1 443 . 1 1 A 40 40 ASP H H 40 7.493 8.192 -0.699 2
1 444 . 1 1 A 40 40 ASP HA H 40 4.071 4.326 -0.255 2
1 447 . 1 1 A 40 40 ASP C C 40 176.738 178.595 -1.857 2
1 448 . 1 1 A 40 40 ASP CA C 40 55.877 57.150 -1.273 2
1 449 . 1 1 A 40 40 ASP CB C 40 38.721 40.801 -2.080 2
1 450 . 1 1 A 40 40 ASP N N 40 119.054 120.505 -1.451 2
1 451 . 1 1 A 41 41 PHE H H 41 8.429 8.122 0.307 2
1 452 . 1 1 A 41 41 PHE HA H 41 3.750 4.083 -0.333 2
1 460 . 1 1 A 41 41 PHE C C 41 173.786 177.219 -3.433 2
1 461 . 1 1 A 41 41 PHE CA C 41 59.851 60.964 -1.113 2
1 462 . 1 1 A 41 41 PHE CB C 41 36.135 38.992 -2.857 2
1 468 . 1 1 A 41 41 PHE N N 41 121.017 120.929 0.088 2
1 469 . 1 1 A 42 42 CYS H H 42 8.527 8.134 0.393 2
1 470 . 1 1 A 42 42 CYS HA H 42 3.752 4.281 -0.529 2
1 473 . 1 1 A 42 42 CYS C C 42 174.065 177.470 -3.405 2
1 474 . 1 1 A 42 42 CYS CA C 42 62.453 62.369 0.084 2
1 475 . 1 1 A 42 42 CYS CB C 42 24.429 26.963 -2.534 2
1 476 . 1 1 A 42 42 CYS N N 42 116.390 117.236 -0.846 2
1 477 . 1 1 A 43 43 MET H H 43 7.739 7.999 -0.260 2
1 478 . 1 1 A 43 43 MET HA H 43 3.885 4.189 -0.304 2
1 486 . 1 1 A 43 43 MET C C 43 175.345 178.644 -3.299 2
1 487 . 1 1 A 43 43 MET CA C 43 54.460 58.243 -3.783 2
1 488 . 1 1 A 43 43 MET CB C 43 28.872 32.657 -3.785 2
1 491 . 1 1 A 43 43 MET N N 43 114.377 119.420 -5.043 2
1 492 . 1 1 A 44 44 LYS H H 44 7.257 7.688 -0.431 2
1 493 . 1 1 A 44 44 LYS HA H 44 3.896 3.918 -0.022 2
1 502 . 1 1 A 44 44 LYS C C 44 175.198 178.668 -3.470 2
1 503 . 1 1 A 44 44 LYS CA C 44 54.181 58.825 -4.644 2
1 504 . 1 1 A 44 44 LYS CB C 44 29.291 32.268 -2.977 2
1 508 . 1 1 A 44 44 LYS N N 44 117.480 118.479 -0.999 2
1 509 . 1 1 A 45 45 ILE H H 45 7.146 7.038 0.108 2
1 510 . 1 1 A 45 45 ILE HA H 45 3.697 3.926 -0.229 2
1 520 . 1 1 A 45 45 ILE C C 45 174.894 176.050 -1.156 2
1 521 . 1 1 A 45 45 ILE CA C 45 59.954 63.511 -3.557 2
1 522 . 1 1 A 45 45 ILE CB C 45 33.943 38.595 -4.652 2
1 526 . 1 1 A 45 45 ILE N N 45 119.267 117.312 1.955 2
1 527 . 1 1 A 46 46 HIS H H 46 7.982 7.935 0.047 2
1 528 . 1 1 A 46 46 HIS HA H 46 4.200 4.795 -0.595 2
1 533 . 1 1 A 46 46 HIS C C 46 173.349 175.202 -1.853 2
1 534 . 1 1 A 46 46 HIS CA C 46 56.363 55.725 0.638 2
1 535 . 1 1 A 46 46 HIS CB C 46 30.998 32.696 -1.698 2
1 538 . 1 1 A 46 46 HIS N N 46 116.498 117.230 -0.732 2
1 539 . 1 1 A 47 47 LYS H H 47 8.478 8.638 -0.160 2
1 540 . 1 1 A 47 47 LYS HA H 47 4.091 3.915 0.176 2
1 545 . 1 1 A 47 47 LYS C C 47 174.519 177.471 -2.952 2
1 546 . 1 1 A 47 47 LYS CA C 47 57.279 59.011 -1.732 2
1 547 . 1 1 A 47 47 LYS CB C 47 29.709 32.128 -2.419 2
1 551 . 1 1 A 47 47 LYS N N 47 127.686 124.740 2.946 2
1 552 . 1 1 A 48 48 ASN H H 48 10.623 7.852 2.771 2
1 553 . 1 1 A 48 48 ASN HA H 48 4.839 4.899 -0.060 2
1 558 . 1 1 A 48 48 ASN C C 48 175.138 176.486 -1.348 2
1 559 . 1 1 A 48 48 ASN CA C 48 50.960 53.663 -2.703 2
1 560 . 1 1 A 48 48 ASN CB C 48 36.975 39.189 -2.214 2
1 561 . 1 1 A 48 48 ASN N N 48 118.711 117.297 1.414 2
1 563 . 1 1 A 49 49 LEU H H 49 7.796 7.915 -0.119 2
1 564 . 1 1 A 49 49 LEU HA H 49 4.103 4.213 -0.111 2
1 574 . 1 1 A 49 49 LEU C C 49 176.976 178.324 -1.348 2
1 575 . 1 1 A 49 49 LEU CA C 49 56.381 57.739 -1.359 2
1 576 . 1 1 A 49 49 LEU CB C 49 39.064 42.348 -3.284 2
1 580 . 1 1 A 49 49 LEU N N 49 124.676 121.097 3.579 2
1 581 . 1 1 A 50 50 ILE H H 50 9.052 8.050 1.002 2
1 582 . 1 1 A 50 50 ILE HA H 50 4.060 3.860 0.200 2
1 592 . 1 1 A 50 50 ILE C C 50 173.983 177.787 -3.804 2
1 593 . 1 1 A 50 50 ILE CA C 50 57.842 63.762 -5.920 2
1 594 . 1 1 A 50 50 ILE CB C 50 35.943 37.755 -1.812 2
1 598 . 1 1 A 50 50 ILE N N 50 116.565 119.198 -2.633 2
1 599 . 1 1 A 51 51 LYS H H 51 7.275 8.113 -0.838 2
1 600 . 1 1 A 51 51 LYS HA H 51 4.143 4.045 0.098 2
1 609 . 1 1 A 51 51 LYS C C 51 175.668 178.475 -2.807 2
1 610 . 1 1 A 51 51 LYS CA C 51 55.696 60.010 -4.314 2
1 611 . 1 1 A 51 51 LYS CB C 51 29.767 32.140 -2.373 2
1 615 . 1 1 A 51 51 LYS N N 51 119.864 122.440 -2.576 2
1 616 . 1 1 A 52 52 GLU H H 52 7.590 7.824 -0.234 2
1 617 . 1 1 A 52 52 GLU HA H 52 4.319 4.392 -0.073 2
1 622 . 1 1 A 52 52 GLU C C 52 173.088 176.632 -3.544 2
1 623 . 1 1 A 52 52 GLU CA C 52 53.301 56.910 -3.609 2
1 624 . 1 1 A 52 52 GLU CB C 52 28.778 30.448 -1.670 2
1 626 . 1 1 A 52 52 GLU N N 52 116.453 116.649 -0.196 2
1 627 . 1 1 A 53 53 PHE H H 53 7.423 8.029 -0.606 2
1 628 . 1 1 A 53 53 PHE HA H 53 3.608 4.493 -0.885 2
1 636 . 1 1 A 53 53 PHE C C 53 170.946 175.396 -4.450 2
1 637 . 1 1 A 53 53 PHE CA C 53 57.983 59.105 -1.122 2
1 638 . 1 1 A 53 53 PHE CB C 53 38.913 39.772 -0.859 2
1 644 . 1 1 A 53 53 PHE N N 53 120.950 123.019 -2.069 2
1 645 . 1 1 A 54 54 LYS H H 54 8.385 8.735 -0.350 2
1 646 . 1 1 A 54 54 LYS HA H 54 4.268 4.183 0.085 2
1 655 . 1 1 A 54 54 LYS C C 54 173.038 175.289 -2.251 2
1 656 . 1 1 A 54 54 LYS CA C 54 55.263 57.210 -1.947 2
1 657 . 1 1 A 54 54 LYS CB C 54 32.730 34.020 -1.290 2
1 661 . 1 1 A 54 54 LYS N N 54 128.686 127.088 1.598 2
1 662 . 1 1 A 55 55 TYR H H 55 7.083 6.945 0.138 2
1 663 . 1 1 A 55 55 TYR HA H 55 4.120 4.625 -0.505 2
1 670 . 1 1 A 55 55 TYR C C 55 168.503 173.058 -4.555 2
1 671 . 1 1 A 55 55 TYR CA C 55 55.198 56.030 -0.832 2
1 672 . 1 1 A 55 55 TYR CB C 55 35.633 39.987 -4.354 2
1 677 . 1 1 A 55 55 TYR N N 55 110.963 112.955 -1.992 2
1 678 . 1 1 A 56 56 ALA H H 56 8.836 8.783 0.053 2
1 679 . 1 1 A 56 56 ALA HA H 56 5.293 5.376 -0.083 2
1 683 . 1 1 A 56 56 ALA C C 56 172.993 175.946 -2.953 2
1 684 . 1 1 A 56 56 ALA CA C 56 47.088 50.617 -3.529 2
1 685 . 1 1 A 56 56 ALA CB C 56 20.287 22.748 -2.461 2
1 686 . 1 1 A 56 56 ALA N N 56 118.379 122.150 -3.771 2
1 687 . 1 1 A 57 57 LEU H H 57 8.880 8.751 0.129 2
1 688 . 1 1 A 57 57 LEU HA H 57 4.854 4.791 0.063 2
1 698 . 1 1 A 57 57 LEU C C 57 172.904 175.333 -2.429 2
1 699 . 1 1 A 57 57 LEU CA C 57 50.872 53.348 -2.476 2
1 700 . 1 1 A 57 57 LEU CB C 57 42.160 41.716 0.444 2
1 704 . 1 1 A 57 57 LEU N N 57 121.382 122.475 -1.093 2
1 705 . 1 1 A 58 58 VAL H H 58 8.123 8.198 -0.075 2
1 706 . 1 1 A 58 58 VAL HA H 58 5.243 4.465 0.778 2
1 714 . 1 1 A 58 58 VAL C C 58 171.929 175.243 -3.314 2
1 715 . 1 1 A 58 58 VAL CA C 58 57.683 62.134 -4.451 2
1 716 . 1 1 A 58 58 VAL CB C 58 33.036 32.243 0.793 2
1 719 . 1 1 A 58 58 VAL N N 58 120.400 124.724 -4.324 2
1 720 . 1 1 A 59 59 TRP H H 59 9.316 8.822 0.494 2
1 721 . 1 1 A 59 59 TRP HA H 59 4.843 5.201 -0.358 2
1 730 . 1 1 A 59 59 TRP C C 59 173.582 176.461 -2.879 2
1 731 . 1 1 A 59 59 TRP CA C 59 54.736 55.597 -0.861 2
1 732 . 1 1 A 59 59 TRP CB C 59 30.514 30.394 0.120 2
1 738 . 1 1 A 59 59 TRP N N 59 127.196 127.882 -0.686 2
1 740 . 1 1 A 60 60 GLY H H 60 8.531 8.374 0.157 2
1 741 . 1 1 A 60 60 GLY HA2 H 60 4.934 4.307 0.627 2
1 742 . 1 1 A 60 60 GLY HA3 H 60 4.123 4.315 -0.192 2
1 743 . 1 1 A 60 60 GLY C C 60 171.378 174.436 -3.058 2
1 744 . 1 1 A 60 60 GLY CA C 60 42.587 45.435 -2.848 2
1 745 . 1 1 A 60 60 GLY N N 60 110.481 109.946 0.535 2
1 746 . 1 1 A 61 61 LEU H H 61 8.188 8.888 -0.700 2
1 747 . 1 1 A 61 61 LEU HA H 61 4.141 4.031 0.110 2
1 757 . 1 1 A 61 61 LEU C C 61 176.897 178.950 -2.053 2
1 758 . 1 1 A 61 61 LEU CA C 61 54.357 57.317 -2.960 2
1 759 . 1 1 A 61 61 LEU CB C 61 39.942 41.596 -1.654 2
1 763 . 1 1 A 61 61 LEU N N 61 118.667 121.017 -2.350 2
1 764 . 1 1 A 62 62 SER H H 62 8.123 8.045 0.078 2
1 765 . 1 1 A 62 62 SER HA H 62 4.284 4.284 -0.000 2
1 768 . 1 1 A 62 62 SER C C 62 171.932 174.301 -2.369 2
1 769 . 1 1 A 62 62 SER CA C 62 57.279 61.498 -4.219 2
1 770 . 1 1 A 62 62 SER CB C 62 60.354 63.051 -2.697 2
1 771 . 1 1 A 62 62 SER N N 62 110.946 113.455 -2.509 2
1 772 . 1 1 A 63 63 VAL H H 63 7.174 7.589 -0.415 2
1 773 . 1 1 A 63 63 VAL HA H 63 4.503 4.561 -0.058 2
1 781 . 1 1 A 63 63 VAL C C 63 173.221 175.656 -2.435 2
1 782 . 1 1 A 63 63 VAL CA C 63 57.573 59.321 -1.748 2
1 783 . 1 1 A 63 63 VAL CB C 63 31.826 34.448 -2.622 2
1 786 . 1 1 A 63 63 VAL N N 63 114.625 116.583 -1.958 2
1 787 . 1 1 A 64 64 LYS H H 64 8.112 8.631 -0.519 2
1 788 . 1 1 A 64 64 LYS HA H 64 4.105 4.185 -0.080 2
1 796 . 1 1 A 64 64 LYS C C 64 174.259 176.696 -2.437 2
1 797 . 1 1 A 64 64 LYS CA C 64 54.586 58.034 -3.448 2
1 798 . 1 1 A 64 64 LYS CB C 64 30.837 32.987 -2.150 2
1 802 . 1 1 A 64 64 LYS N N 64 119.722 122.690 -2.968 2
1 803 . 1 1 A 65 65 HIS H H 65 7.496 7.711 -0.215 2
1 804 . 1 1 A 65 65 HIS HA H 65 4.497 5.210 -0.713 2
1 809 . 1 1 A 65 65 HIS C C 65 170.028 174.333 -4.305 2
1 810 . 1 1 A 65 65 HIS CA C 65 52.491 54.729 -2.238 2
1 811 . 1 1 A 65 65 HIS CB C 65 29.149 32.077 -2.928 2
1 814 . 1 1 A 65 65 HIS N N 65 117.336 115.427 1.909 2
1 815 . 1 1 A 66 66 ASN H H 66 8.135 9.122 -0.987 2
1 816 . 1 1 A 66 66 ASN HA H 66 4.986 5.167 -0.181 2
1 821 . 1 1 A 66 66 ASN C C 66 171.088 173.084 -1.996 2
1 822 . 1 1 A 66 66 ASN CA C 66 47.732 50.303 -2.571 2
1 823 . 1 1 A 66 66 ASN CB C 66 39.365 40.531 -1.166 2
1 824 . 1 1 A 66 66 ASN N N 66 118.616 120.804 -2.188 2
1 826 . 1 1 A 67 67 PRO HA H 67 4.408 4.248 0.160 2
1 833 . 1 1 A 67 67 PRO C C 67 173.325 175.344 -2.019 2
1 834 . 1 1 A 67 67 PRO CA C 67 60.535 62.608 -2.073 2
1 835 . 1 1 A 67 67 PRO CB C 67 31.065 32.485 -1.420 2
1 838 . 1 1 A 68 68 GLN H H 68 8.323 8.121 0.202 2
1 839 . 1 1 A 68 68 GLN HA H 68 4.295 4.625 -0.331 2
1 846 . 1 1 A 68 68 GLN C C 68 172.005 174.447 -2.442 2
1 847 . 1 1 A 68 68 GLN CA C 68 51.805 54.752 -2.947 2
1 848 . 1 1 A 68 68 GLN CB C 68 30.014 31.809 -1.795 2
1 850 . 1 1 A 68 68 GLN N N 68 118.089 121.193 -3.104 2
1 852 . 1 1 A 69 69 LYS H H 69 8.268 8.523 -0.255 2
1 853 . 1 1 A 69 69 LYS HA H 69 4.907 4.536 0.371 2
1 862 . 1 1 A 69 69 LYS C C 69 174.226 176.253 -2.027 2
1 863 . 1 1 A 69 69 LYS CA C 69 53.598 56.220 -2.622 2
1 864 . 1 1 A 69 69 LYS CB C 69 30.096 32.894 -2.798 2
1 868 . 1 1 A 69 69 LYS N N 69 125.766 127.522 -1.756 2
1 869 . 1 1 A 70 70 VAL H H 70 9.409 8.835 0.574 2
1 870 . 1 1 A 70 70 VAL HA H 70 4.723 4.956 -0.233 2
1 878 . 1 1 A 70 70 VAL C C 70 172.498 175.853 -3.356 2
1 879 . 1 1 A 70 70 VAL CA C 70 56.680 59.780 -3.100 2
1 880 . 1 1 A 70 70 VAL CB C 70 33.332 34.578 -1.246 2
1 883 . 1 1 A 70 70 VAL N N 70 120.660 120.807 -0.147 2
1 884 . 1 1 A 71 71 GLY H H 71 8.445 8.573 -0.128 2
1 885 . 1 1 A 71 71 GLY HA2 H 71 4.961 4.268 0.693 2
1 886 . 1 1 A 71 71 GLY HA3 H 71 3.898 4.351 -0.453 2
1 887 . 1 1 A 71 71 GLY C C 71 172.669 174.874 -2.205 2
1 888 . 1 1 A 71 71 GLY CA C 71 40.896 44.556 -3.660 2
1 889 . 1 1 A 71 71 GLY N N 71 106.755 109.739 -2.984 2
1 890 . 1 1 A 72 72 LYS H H 72 8.573 8.890 -0.317 2
1 891 . 1 1 A 72 72 LYS HA H 72 3.454 4.115 -0.661 2
1 900 . 1 1 A 72 72 LYS C C 72 172.853 177.508 -4.655 2
1 901 . 1 1 A 72 72 LYS CA C 72 56.108 58.128 -2.020 2
1 902 . 1 1 A 72 72 LYS CB C 72 29.993 32.896 -2.903 2
1 906 . 1 1 A 72 72 LYS N N 72 114.685 118.269 -3.584 2
1 907 . 1 1 A 73 73 ASP H H 73 8.517 8.010 0.507 2
1 908 . 1 1 A 73 73 ASP HA H 73 4.543 4.657 -0.114 2
1 911 . 1 1 A 73 73 ASP C C 73 173.041 176.275 -3.234 2
1 912 . 1 1 A 73 73 ASP CA C 73 51.118 54.761 -3.643 2
1 913 . 1 1 A 73 73 ASP CB C 73 38.311 41.093 -2.782 2
1 914 . 1 1 A 73 73 ASP N N 73 115.449 119.005 -3.556 2
1 915 . 1 1 A 74 74 HIS H H 74 7.173 7.687 -0.514 2
1 916 . 1 1 A 74 74 HIS HA H 74 4.084 4.450 -0.366 2
1 921 . 1 1 A 74 74 HIS C C 74 172.466 174.888 -2.422 2
1 922 . 1 1 A 74 74 HIS CA C 74 55.483 57.323 -1.840 2
1 923 . 1 1 A 74 74 HIS CB C 74 29.868 30.525 -0.657 2
1 926 . 1 1 A 74 74 HIS N N 74 120.387 120.463 -0.076 2
1 927 . 1 1 A 75 75 THR H H 75 7.573 8.222 -0.649 2
1 928 . 1 1 A 75 75 THR HA H 75 3.562 4.295 -0.733 2
1 933 . 1 1 A 75 75 THR C C 75 170.555 174.066 -3.511 2
1 934 . 1 1 A 75 75 THR CA C 75 61.656 62.464 -0.808 2
1 935 . 1 1 A 75 75 THR CB C 75 66.449 69.398 -2.949 2
1 937 . 1 1 A 75 75 THR N N 75 123.519 120.644 2.875 2
1 938 . 1 1 A 76 76 LEU H H 76 8.300 8.547 -0.247 2
1 939 . 1 1 A 76 76 LEU HA H 76 4.187 4.685 -0.498 2
1 949 . 1 1 A 76 76 LEU C C 76 174.153 176.100 -1.947 2
1 950 . 1 1 A 76 76 LEU CA C 76 52.201 53.915 -1.714 2
1 951 . 1 1 A 76 76 LEU CB C 76 40.188 43.094 -2.906 2
1 955 . 1 1 A 76 76 LEU N N 76 127.705 127.163 0.542 2
1 956 . 1 1 A 77 77 GLU H H 77 9.006 8.867 0.139 2
1 957 . 1 1 A 77 77 GLU HA H 77 4.295 4.808 -0.513 2
1 962 . 1 1 A 77 77 GLU C C 77 172.035 175.511 -3.476 2
1 963 . 1 1 A 77 77 GLU CA C 77 51.734 54.386 -2.652 2
1 964 . 1 1 A 77 77 GLU CB C 77 30.671 32.762 -2.091 2
1 966 . 1 1 A 77 77 GLU N N 77 120.330 121.156 -0.826 2
1 967 . 1 1 A 78 78 ASP H H 78 8.375 8.687 -0.311 2
1 968 . 1 1 A 78 78 ASP HA H 78 4.289 4.457 -0.168 2
1 971 . 1 1 A 78 78 ASP C C 78 174.522 176.415 -1.893 2
1 972 . 1 1 A 78 78 ASP CA C 78 54.779 54.599 0.180 2
1 973 . 1 1 A 78 78 ASP CB C 78 39.200 41.174 -1.974 2
1 974 . 1 1 A 78 78 ASP N N 78 116.751 122.046 -5.295 2
1 975 . 1 1 A 79 79 GLU H H 79 9.867 8.876 0.991 2
1 976 . 1 1 A 79 79 GLU HA H 79 3.685 3.934 -0.249 2
1 981 . 1 1 A 79 79 GLU C C 79 172.755 174.680 -1.925 2
1 982 . 1 1 A 79 79 GLU CA C 79 57.384 57.389 -0.005 2
1 983 . 1 1 A 79 79 GLU CB C 79 24.429 27.972 -3.543 2
1 985 . 1 1 A 79 79 GLU N N 79 119.409 118.055 1.354 2
1 986 . 1 1 A 80 80 ASP H H 80 8.212 7.362 0.850 2
1 987 . 1 1 A 80 80 ASP HA H 80 4.833 5.370 -0.537 2
1 990 . 1 1 A 80 80 ASP C C 80 171.935 174.736 -2.801 2
1 991 . 1 1 A 80 80 ASP CA C 80 53.900 53.069 0.831 2
1 992 . 1 1 A 80 80 ASP CB C 80 39.633 44.322 -4.689 2
1 993 . 1 1 A 80 80 ASP N N 80 121.227 118.154 3.073 2
1 994 . 1 1 A 81 81 VAL H H 81 8.638 9.047 -0.409 2
1 995 . 1 1 A 81 81 VAL HA H 81 5.055 5.278 -0.223 2
1 1003 . 1 1 A 81 81 VAL C C 81 172.826 174.880 -2.054 2
1 1004 . 1 1 A 81 81 VAL CA C 81 57.723 61.914 -4.191 2
1 1005 . 1 1 A 81 81 VAL CB C 81 31.767 33.387 -1.620 2
1 1008 . 1 1 A 81 81 VAL N N 81 118.946 124.450 -5.504 2
1 1009 . 1 1 A 82 82 ILE H H 82 9.007 8.733 0.274 2
1 1010 . 1 1 A 82 82 ILE HA H 82 5.789 5.118 0.671 2
1 1020 . 1 1 A 82 82 ILE C C 82 170.143 173.315 -3.172 2
1 1021 . 1 1 A 82 82 ILE CA C 82 55.824 59.145 -3.321 2
1 1022 . 1 1 A 82 82 ILE CB C 82 41.574 41.982 -0.408 2
1 1026 . 1 1 A 82 82 ILE N N 82 124.391 128.468 -4.077 2
1 1027 . 1 1 A 83 83 GLN H H 83 9.415 8.915 0.500 2
1 1028 . 1 1 A 83 83 GLN HA H 83 4.815 4.931 -0.116 2
1 1035 . 1 1 A 83 83 GLN C C 83 172.719 174.484 -1.765 2
1 1036 . 1 1 A 83 83 GLN CA C 83 52.016 54.673 -2.657 2
1 1037 . 1 1 A 83 83 GLN CB C 83 32.094 30.568 1.526 2
1 1039 . 1 1 A 83 83 GLN N N 83 127.774 128.763 -0.989 2
1 1041 . 1 1 A 84 84 ILE H H 84 8.878 8.625 0.253 2
1 1042 . 1 1 A 84 84 ILE HA H 84 4.074 4.402 -0.328 2
1 1052 . 1 1 A 84 84 ILE C C 84 173.096 175.467 -2.371 2
1 1053 . 1 1 A 84 84 ILE CA C 84 57.372 61.372 -4.000 2
1 1054 . 1 1 A 84 84 ILE CB C 84 34.771 37.371 -2.600 2
1 1058 . 1 1 A 84 84 ILE N N 84 126.673 126.968 -0.295 2
1 1059 . 1 1 A 85 85 VAL H H 85 8.562 8.461 0.101 2
1 1060 . 1 1 A 85 85 VAL HA H 85 3.914 4.591 -0.677 2
1 1068 . 1 1 A 85 85 VAL C C 85 172.438 174.567 -2.129 2
1 1069 . 1 1 A 85 85 VAL CA C 85 60.112 60.300 -0.188 2
1 1070 . 1 1 A 85 85 VAL CB C 85 28.964 33.129 -4.165 2
1 1073 . 1 1 A 85 85 VAL N N 85 130.400 126.401 3.999 2
1 1074 . 1 1 A 86 86 LYS H H 86 8.399 8.589 -0.190 2
1 1075 . 1 1 A 86 86 LYS HA H 86 4.640 4.850 -0.210 2
1 1084 . 1 1 A 86 86 LYS C C 86 174.388 176.693 -2.305 2
1 1085 . 1 1 A 86 86 LYS CA C 86 53.301 54.639 -1.338 2
1 1086 . 1 1 A 86 86 LYS CB C 86 32.587 34.302 -1.715 2
1 1090 . 1 1 A 86 86 LYS N N 86 126.582 125.447 1.135 2
1 1091 . 1 1 A 87 87 LYS H H 87 8.485 8.505 -0.020 2
1 1092 . 1 1 A 87 87 LYS HA H 87 3.923 4.163 -0.240 2
1 1101 . 1 1 A 87 87 LYS C C 87 174.196 176.534 -2.338 2
1 1102 . 1 1 A 87 87 LYS CA C 87 55.171 57.078 -1.907 2
1 1103 . 1 1 A 87 87 LYS CB C 87 31.274 32.727 -1.453 2
1 1107 . 1 1 A 87 87 LYS N N 87 119.203 123.561 -4.358 2
1 1108 . 1 1 A 89 89 GLY HA2 H 89 4.034 4.190 -0.156 2
1 1109 . 1 1 A 89 89 GLY HA3 H 89 4.034 4.191 -0.157 2
1 1110 . 1 1 A 89 89 GLY CA C 89 42.366 44.877 -2.511 2
1 1111 . 1 1 A 90 90 PRO HA H 90 4.369 4.567 -0.198 2
1 1118 . 1 1 A 90 90 PRO CA C 90 61.070 63.381 -2.311 2
1 1119 . 1 1 A 90 90 PRO CB C 90 29.818 31.945 -2.127 2
stop_
save_