data_15491_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15491
_Entry.PDB_ID 2JVW
_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 2 2 ALA HA H 2 4.081 4.130 -0.049 1
1 5 . 1 1 1 A 2 2 ALA C C 2 173.423 178.298 -4.875 1
1 6 . 1 1 1 A 2 2 ALA CA C 2 51.798 54.312 -2.514 1
1 7 . 1 1 1 A 2 2 ALA CB C 2 19.502 18.820 0.682 1
1 8 . 1 1 1 A 3 3 LEU H H 3 8.547 7.499 1.048 1
1 9 . 1 1 1 A 3 3 LEU HA H 3 4.394 4.152 0.242 1
1 19 . 1 1 1 A 3 3 LEU C C 3 176.779 176.295 0.484 1
1 20 . 1 1 1 A 3 3 LEU CA C 3 55.226 55.236 -0.010 1
1 21 . 1 1 1 A 3 3 LEU CB C 3 42.472 41.705 0.767 1
1 25 . 1 1 1 A 3 3 LEU N N 3 122.089 120.987 1.102 1
1 26 . 1 1 1 A 4 4 ILE H H 4 8.319 8.220 0.099 1
1 27 . 1 1 1 A 4 4 ILE HA H 4 4.167 4.400 -0.233 1
1 37 . 1 1 1 A 4 4 ILE C C 4 176.138 175.745 0.393 1
1 38 . 1 1 1 A 4 4 ILE CA C 4 60.894 60.342 0.552 1
1 39 . 1 1 1 A 4 4 ILE CB C 4 38.595 38.950 -0.355 1
1 43 . 1 1 1 A 4 4 ILE N N 4 123.468 122.669 0.799 1
1 44 . 1 1 1 A 5 5 MET H H 5 8.574 8.874 -0.300 1
1 45 . 1 1 1 A 5 5 MET HA H 5 4.584 4.568 0.016 1
1 50 . 1 1 1 A 5 5 MET C C 5 176.274 176.676 -0.402 1
1 51 . 1 1 1 A 5 5 MET CA C 5 55.348 54.064 1.284 1
1 52 . 1 1 1 A 5 5 MET CB C 5 32.961 30.845 2.116 1
1 54 . 1 1 1 A 5 5 MET N N 5 125.527 123.782 1.745 1
1 55 . 1 1 1 A 6 6 THR H H 6 8.172 7.875 0.297 1
1 56 . 1 1 1 A 6 6 THR HA H 6 4.331 4.444 -0.113 1
1 61 . 1 1 1 A 6 6 THR C C 6 174.578 173.249 1.329 1
1 62 . 1 1 1 A 6 6 THR CA C 6 61.849 61.408 0.441 1
1 63 . 1 1 1 A 6 6 THR CB C 6 69.904 68.417 1.487 1
1 65 . 1 1 1 A 6 6 THR N N 6 115.487 114.541 0.946 1
1 66 . 1 1 1 A 7 7 GLN H H 7 8.461 7.321 1.140 1
1 67 . 1 1 1 A 7 7 GLN HA H 7 4.317 4.672 -0.355 1
1 74 . 1 1 1 A 7 7 GLN C C 7 176.108 176.668 -0.560 1
1 75 . 1 1 1 A 7 7 GLN CA C 7 56.149 54.368 1.781 1
1 76 . 1 1 1 A 7 7 GLN CB C 7 29.491 31.287 -1.796 1
1 79 . 1 1 1 A 7 7 GLN N N 7 122.199 121.480 0.719 1
1 81 . 1 1 1 A 8 8 GLN H H 8 8.418 8.832 -0.414 1
1 82 . 1 1 1 A 8 8 GLN HA H 8 4.219 4.163 0.056 1
1 89 . 1 1 1 A 8 8 GLN C C 8 175.704 176.397 -0.693 1
1 90 . 1 1 1 A 8 8 GLN CA C 8 56.112 57.664 -1.552 1
1 91 . 1 1 1 A 8 8 GLN CB C 8 29.435 28.460 0.975 1
1 94 . 1 1 1 A 8 8 GLN N N 8 121.100 120.192 0.908 1
1 96 . 1 1 1 A 9 9 ASN H H 9 8.404 8.069 0.335 1
1 97 . 1 1 1 A 9 9 ASN HA H 9 4.654 4.742 -0.088 1
1 102 . 1 1 1 A 9 9 ASN C C 9 174.445 175.042 -0.597 1
1 103 . 1 1 1 A 9 9 ASN CA C 9 53.190 53.897 -0.707 1
1 104 . 1 1 1 A 9 9 ASN CB C 9 38.913 38.903 0.010 1
1 106 . 1 1 1 A 9 9 ASN N N 9 119.104 119.688 -0.584 1
1 108 . 1 1 1 A 10 10 ASN H H 10 8.306 8.721 -0.415 1
1 109 . 1 1 1 A 10 10 ASN HA H 10 4.964 5.493 -0.529 1
1 114 . 1 1 1 A 10 10 ASN C C 10 174.315 174.017 0.298 1
1 115 . 1 1 1 A 10 10 ASN CA C 10 51.318 50.382 0.936 1
1 116 . 1 1 1 A 10 10 ASN CB C 10 38.992 39.495 -0.503 1
1 118 . 1 1 1 A 10 10 ASN N N 10 119.847 120.937 -1.090 1
1 120 . 1 1 1 A 11 11 PRO HA H 11 4.427 4.523 -0.096 1
1 127 . 1 1 1 A 11 11 PRO C C 11 177.095 177.017 0.078 1
1 128 . 1 1 1 A 11 11 PRO CA C 11 64.214 63.978 0.236 1
1 129 . 1 1 1 A 11 11 PRO CB C 11 32.355 31.603 0.752 1
1 132 . 1 1 1 A 12 12 LEU H H 12 8.102 8.218 -0.116 1
1 133 . 1 1 1 A 12 12 LEU HA H 12 4.320 4.717 -0.397 1
1 143 . 1 1 1 A 12 12 LEU C C 12 177.341 177.747 -0.406 1
1 144 . 1 1 1 A 12 12 LEU CA C 12 54.883 53.949 0.934 1
1 145 . 1 1 1 A 12 12 LEU CB C 12 41.300 42.102 -0.802 1
1 149 . 1 1 1 A 12 12 LEU N N 12 117.525 116.893 0.632 1
1 150 . 1 1 1 A 13 13 HIS H H 13 8.004 7.623 0.381 1
1 151 . 1 1 1 A 13 13 HIS HA H 13 4.453 4.394 0.059 1
1 154 . 1 1 1 A 13 13 HIS C C 13 175.375 175.843 -0.468 1
1 155 . 1 1 1 A 13 13 HIS CA C 13 56.796 58.481 -1.685 1
1 156 . 1 1 1 A 13 13 HIS CB C 13 28.248 30.254 -2.006 1
1 157 . 1 1 1 A 13 13 HIS N N 13 117.833 119.620 -1.787 1
1 158 . 1 1 1 A 14 14 GLY H H 14 8.530 7.561 0.969 1
1 159 . 1 1 1 A 14 14 GLY HA2 H 14 3.930 4.065 -0.135 1
1 160 . 1 1 1 A 14 14 GLY HA3 H 14 3.755 4.105 -0.350 1
1 161 . 1 1 1 A 14 14 GLY C C 14 173.536 172.690 0.846 1
1 162 . 1 1 1 A 14 14 GLY CA C 14 45.529 45.474 0.055 1
1 163 . 1 1 1 A 14 14 GLY N N 14 110.385 106.299 4.086 1
1 164 . 1 1 1 A 15 15 ILE H H 15 7.563 8.861 -1.298 1
1 165 . 1 1 1 A 15 15 ILE HA H 15 4.392 4.418 -0.026 1
1 175 . 1 1 1 A 15 15 ILE C C 15 174.878 176.661 -1.783 1
1 176 . 1 1 1 A 15 15 ILE CA C 15 60.102 60.994 -0.892 1
1 177 . 1 1 1 A 15 15 ILE CB C 15 39.383 38.415 0.968 1
1 181 . 1 1 1 A 15 15 ILE N N 15 120.363 125.639 -5.276 1
1 182 . 1 1 1 A 16 16 THR H H 16 7.643 8.440 -0.797 1
1 183 . 1 1 1 A 16 16 THR HA H 16 4.381 4.743 -0.362 1
1 188 . 1 1 1 A 16 16 THR C C 16 174.950 175.623 -0.673 1
1 189 . 1 1 1 A 16 16 THR CA C 16 60.355 60.191 0.164 1
1 190 . 1 1 1 A 16 16 THR CB C 16 70.834 71.379 -0.545 1
1 192 . 1 1 1 A 16 16 THR N N 16 115.980 118.094 -2.114 1
1 193 . 1 1 1 A 17 17 LEU H H 17 8.712 8.865 -0.153 1
1 194 . 1 1 1 A 17 17 LEU HA H 17 4.029 4.007 0.022 1
1 204 . 1 1 1 A 17 17 LEU C C 17 178.125 178.094 0.031 1
1 205 . 1 1 1 A 17 17 LEU CA C 17 57.582 58.541 -0.959 1
1 206 . 1 1 1 A 17 17 LEU CB C 17 40.906 41.263 -0.357 1
1 210 . 1 1 1 A 17 17 LEU N N 17 123.337 123.552 -0.215 1
1 211 . 1 1 1 A 18 18 GLN H H 18 8.611 8.080 0.531 1
1 212 . 1 1 1 A 18 18 GLN HA H 18 3.774 3.940 -0.166 1
1 219 . 1 1 1 A 18 18 GLN C C 18 178.211 178.408 -0.197 1
1 220 . 1 1 1 A 18 18 GLN CA C 18 60.388 59.441 0.947 1
1 221 . 1 1 1 A 18 18 GLN CB C 18 27.809 28.762 -0.953 1
1 224 . 1 1 1 A 18 18 GLN N N 18 116.423 118.370 -1.947 1
1 226 . 1 1 1 A 19 19 LYS H H 19 7.861 7.297 0.564 1
1 227 . 1 1 1 A 19 19 LYS HA H 19 3.957 4.153 -0.196 1
1 236 . 1 1 1 A 19 19 LYS C C 19 177.806 178.540 -0.734 1
1 237 . 1 1 1 A 19 19 LYS CA C 19 59.684 59.129 0.555 1
1 238 . 1 1 1 A 19 19 LYS CB C 19 32.300 32.374 -0.074 1
1 242 . 1 1 1 A 19 19 LYS N N 19 123.583 120.120 3.463 1
1 243 . 1 1 1 A 20 20 LEU H H 20 8.223 8.174 0.049 1
1 244 . 1 1 1 A 20 20 LEU HA H 20 3.418 3.635 -0.217 1
1 254 . 1 1 1 A 20 20 LEU C C 20 178.417 178.273 0.144 1
1 255 . 1 1 1 A 20 20 LEU CA C 20 59.301 58.053 1.248 1
1 256 . 1 1 1 A 20 20 LEU CB C 20 41.370 41.534 -0.164 1
1 260 . 1 1 1 A 20 20 LEU N N 20 121.397 120.944 0.453 1
1 261 . 1 1 1 A 21 21 LEU H H 21 8.649 8.469 0.180 1
1 262 . 1 1 1 A 21 21 LEU HA H 21 3.872 3.940 -0.068 1
1 272 . 1 1 1 A 21 21 LEU C C 21 178.009 178.614 -0.605 1
1 273 . 1 1 1 A 21 21 LEU CA C 21 58.027 58.203 -0.176 1
1 274 . 1 1 1 A 21 21 LEU CB C 21 42.279 41.507 0.772 1
1 278 . 1 1 1 A 21 21 LEU N N 21 118.999 119.612 -0.613 1
1 279 . 1 1 1 A 22 22 THR H H 22 8.025 7.745 0.280 1
1 280 . 1 1 1 A 22 22 THR HA H 22 3.592 3.782 -0.190 1
1 285 . 1 1 1 A 22 22 THR C C 22 176.358 175.963 0.395 1
1 286 . 1 1 1 A 22 22 THR CA C 22 67.879 66.926 0.953 1
1 287 . 1 1 1 A 22 22 THR CB C 22 68.717 68.599 0.118 1
1 289 . 1 1 1 A 22 22 THR N N 22 115.015 114.942 0.073 1
1 290 . 1 1 1 A 23 23 GLU H H 23 8.158 8.356 -0.198 1
1 291 . 1 1 1 A 23 23 GLU HA H 23 4.068 3.890 0.178 1
1 296 . 1 1 1 A 23 23 GLU C C 23 180.091 179.904 0.187 1
1 297 . 1 1 1 A 23 23 GLU CA C 23 59.845 59.340 0.505 1
1 298 . 1 1 1 A 23 23 GLU CB C 23 29.101 29.505 -0.404 1
1 300 . 1 1 1 A 23 23 GLU N N 23 120.691 119.983 0.708 1
1 301 . 1 1 1 A 24 24 LEU H H 24 8.121 7.991 0.130 1
1 302 . 1 1 1 A 24 24 LEU HA H 24 4.140 4.291 -0.151 1
1 312 . 1 1 1 A 24 24 LEU C C 24 179.047 179.054 -0.007 1
1 313 . 1 1 1 A 24 24 LEU CA C 24 58.438 58.005 0.433 1
1 314 . 1 1 1 A 24 24 LEU CB C 24 42.715 41.717 0.998 1
1 318 . 1 1 1 A 24 24 LEU N N 24 119.210 120.513 -1.303 1
1 319 . 1 1 1 A 25 25 VAL H H 25 8.577 8.055 0.522 1
1 320 . 1 1 1 A 25 25 VAL HA H 25 2.698 3.163 -0.465 1
1 328 . 1 1 1 A 25 25 VAL C C 25 179.143 177.828 1.315 1
1 329 . 1 1 1 A 25 25 VAL CA C 25 67.077 66.903 0.174 1
1 330 . 1 1 1 A 25 25 VAL CB C 25 31.127 30.833 0.294 1
1 333 . 1 1 1 A 25 25 VAL N N 25 122.036 120.435 1.601 1
1 334 . 1 1 1 A 26 26 GLU H H 26 8.216 8.019 0.197 1
1 335 . 1 1 1 A 26 26 GLU HA H 26 3.858 3.919 -0.061 1
1 340 . 1 1 1 A 26 26 GLU C C 26 177.409 178.036 -0.627 1
1 341 . 1 1 1 A 26 26 GLU CA C 26 59.105 59.008 0.097 1
1 342 . 1 1 1 A 26 26 GLU CB C 26 29.025 29.484 -0.459 1
1 344 . 1 1 1 A 26 26 GLU N N 26 119.262 119.139 0.123 1
1 345 . 1 1 1 A 27 27 HIS H H 27 7.815 7.878 -0.063 1
1 346 . 1 1 1 A 27 27 HIS HA H 27 4.183 4.354 -0.171 1
1 349 . 1 1 1 A 27 27 HIS C C 27 175.618 175.137 0.481 1
1 350 . 1 1 1 A 27 27 HIS CA C 27 58.932 57.194 1.738 1
1 351 . 1 1 1 A 27 27 HIS CB C 27 29.358 30.895 -1.537 1
1 352 . 1 1 1 A 27 27 HIS N N 27 114.100 117.364 -3.264 1
1 353 . 1 1 1 A 28 28 TYR H H 28 8.628 8.055 0.573 1
1 354 . 1 1 1 A 28 28 TYR HA H 28 4.424 4.555 -0.131 1
1 361 . 1 1 1 A 28 28 TYR C C 28 177.445 176.177 1.268 1
1 362 . 1 1 1 A 28 28 TYR CA C 28 60.294 59.231 1.063 1
1 363 . 1 1 1 A 28 28 TYR CB C 28 40.851 40.230 0.621 1
1 368 . 1 1 1 A 28 28 TYR N N 28 113.706 115.353 -1.647 1
1 369 . 1 1 1 A 29 29 GLY H H 29 7.713 7.546 0.167 1
1 370 . 1 1 1 A 29 29 GLY HA2 H 29 4.366 3.885 0.481 1
1 371 . 1 1 1 A 29 29 GLY HA3 H 29 3.846 4.061 -0.215 1
1 372 . 1 1 1 A 29 29 GLY C C 29 172.549 175.045 -2.496 1
1 373 . 1 1 1 A 29 29 GLY CA C 29 44.258 43.975 0.283 1
1 374 . 1 1 1 A 29 29 GLY N N 29 107.840 104.592 3.248 1
1 375 . 1 1 1 A 30 30 TRP H H 30 7.960 8.728 -0.768 1
1 376 . 1 1 1 A 30 30 TRP HA H 30 4.136 4.259 -0.123 1
1 385 . 1 1 1 A 30 30 TRP C C 30 178.090 178.858 -0.768 1
1 386 . 1 1 1 A 30 30 TRP CA C 30 60.502 60.370 0.132 1
1 387 . 1 1 1 A 30 30 TRP CB C 30 30.304 29.474 0.830 1
1 393 . 1 1 1 A 30 30 TRP N N 30 118.175 121.296 -3.121 1
1 395 . 1 1 1 A 31 31 GLU H H 31 8.549 8.191 0.358 1
1 396 . 1 1 1 A 31 31 GLU HA H 31 3.992 4.008 -0.016 1
1 401 . 1 1 1 A 31 31 GLU C C 31 179.942 179.321 0.621 1
1 402 . 1 1 1 A 31 31 GLU CA C 31 60.090 59.666 0.424 1
1 403 . 1 1 1 A 31 31 GLU CB C 31 28.474 29.088 -0.614 1
1 405 . 1 1 1 A 31 31 GLU N N 31 118.099 119.818 -1.719 1
1 406 . 1 1 1 A 32 32 GLU H H 32 8.962 8.227 0.735 1
1 407 . 1 1 1 A 32 32 GLU HA H 32 4.137 4.083 0.054 1
1 412 . 1 1 1 A 32 32 GLU C C 32 179.651 179.494 0.157 1
1 413 . 1 1 1 A 32 32 GLU CA C 32 58.745 59.201 -0.456 1
1 414 . 1 1 1 A 32 32 GLU CB C 32 28.145 29.452 -1.307 1
1 416 . 1 1 1 A 32 32 GLU N N 32 120.094 120.628 -0.534 1
1 417 . 1 1 1 A 33 33 LEU H H 33 7.748 7.794 -0.046 1
1 418 . 1 1 1 A 33 33 LEU HA H 33 3.922 3.730 0.192 1
1 428 . 1 1 1 A 33 33 LEU C C 33 178.833 179.164 -0.331 1
1 429 . 1 1 1 A 33 33 LEU CA C 33 58.577 57.544 1.033 1
1 430 . 1 1 1 A 33 33 LEU CB C 33 41.269 40.974 0.295 1
1 434 . 1 1 1 A 33 33 LEU N N 33 118.890 120.543 -1.653 1
1 435 . 1 1 1 A 34 34 SER H H 34 8.607 8.340 0.267 1
1 436 . 1 1 1 A 34 34 SER HA H 34 4.642 4.580 0.062 1
1 439 . 1 1 1 A 34 34 SER C C 34 175.346 176.555 -1.209 1
1 440 . 1 1 1 A 34 34 SER CA C 34 61.247 60.357 0.890 1
1 441 . 1 1 1 A 34 34 SER CB C 34 63.043 63.242 -0.199 1
1 442 . 1 1 1 A 34 34 SER N N 34 114.464 113.791 0.673 1
1 443 . 1 1 1 A 35 35 TYR H H 35 7.395 7.825 -0.430 1
1 444 . 1 1 1 A 35 35 TYR HA H 35 4.537 4.268 0.269 1
1 451 . 1 1 1 A 35 35 TYR C C 35 177.940 177.427 0.513 1
1 452 . 1 1 1 A 35 35 TYR CA C 35 58.907 61.348 -2.441 1
1 453 . 1 1 1 A 35 35 TYR CB C 35 37.852 38.407 -0.555 1
1 458 . 1 1 1 A 35 35 TYR N N 35 120.804 122.825 -2.021 1
1 459 . 1 1 1 A 36 36 MET H H 36 7.840 8.452 -0.612 1
1 460 . 1 1 1 A 36 36 MET HA H 36 4.158 4.089 0.069 1
1 468 . 1 1 1 A 36 36 MET C C 36 177.049 176.642 0.407 1
1 469 . 1 1 1 A 36 36 MET CA C 36 58.684 58.516 0.168 1
1 470 . 1 1 1 A 36 36 MET CB C 36 34.927 33.435 1.492 1
1 473 . 1 1 1 A 36 36 MET N N 36 118.425 117.122 1.303 1
1 474 . 1 1 1 A 37 37 VAL H H 37 8.469 8.021 0.448 1
1 475 . 1 1 1 A 37 37 VAL HA H 37 4.265 4.332 -0.067 1
1 483 . 1 1 1 A 37 37 VAL C C 37 173.959 175.367 -1.408 1
1 484 . 1 1 1 A 37 37 VAL CA C 37 61.621 61.732 -0.111 1
1 485 . 1 1 1 A 37 37 VAL CB C 37 32.527 31.977 0.550 1
1 488 . 1 1 1 A 37 37 VAL N N 37 117.997 118.959 -0.962 1
1 489 . 1 1 1 A 38 38 ASN H H 38 8.677 8.776 -0.099 1
1 490 . 1 1 1 A 38 38 ASN HA H 38 4.948 4.910 0.038 1
1 495 . 1 1 1 A 38 38 ASN C C 38 174.710 174.084 0.626 1
1 496 . 1 1 1 A 38 38 ASN CA C 38 53.444 52.982 0.462 1
1 497 . 1 1 1 A 38 38 ASN CB C 38 37.001 36.548 0.453 1
1 499 . 1 1 1 A 38 38 ASN N N 38 123.121 126.841 -3.720 1
1 501 . 1 1 1 A 39 39 ILE H H 39 7.744 8.561 -0.817 1
1 502 . 1 1 1 A 39 39 ILE HA H 39 4.655 4.966 -0.311 1
1 512 . 1 1 1 A 39 39 ILE C C 39 176.996 173.995 3.001 1
1 513 . 1 1 1 A 39 39 ILE CA C 39 59.201 58.849 0.352 1
1 514 . 1 1 1 A 39 39 ILE CB C 39 40.558 42.169 -1.611 1
1 518 . 1 1 1 A 39 39 ILE N N 39 115.722 115.205 0.517 1
1 519 . 1 1 1 A 40 40 ASN H H 40 8.881 8.826 0.055 1
1 520 . 1 1 1 A 40 40 ASN HA H 40 4.192 4.836 -0.644 1
1 525 . 1 1 1 A 40 40 ASN C C 40 177.705 174.700 3.005 1
1 526 . 1 1 1 A 40 40 ASN CA C 40 56.883 51.885 4.998 1
1 527 . 1 1 1 A 40 40 ASN CB C 40 38.313 37.455 0.858 1
1 529 . 1 1 1 A 40 40 ASN N N 40 124.600 122.838 1.762 1
1 531 . 1 1 1 A 41 41 CYS H H 41 8.034 8.308 -0.274 1
1 532 . 1 1 1 A 41 41 CYS HA H 41 4.373 4.296 0.077 1
1 535 . 1 1 1 A 41 41 CYS C C 41 174.303 175.900 -1.597 1
1 536 . 1 1 1 A 41 41 CYS CA C 41 59.164 60.157 -0.993 1
1 537 . 1 1 1 A 41 41 CYS CB C 41 26.126 28.594 -2.468 1
1 538 . 1 1 1 A 41 41 CYS N N 41 115.097 124.858 -9.761 1
1 539 . 1 1 1 A 42 42 PHE H H 42 7.031 8.085 -1.054 1
1 540 . 1 1 1 A 42 42 PHE HA H 42 4.937 4.385 0.552 1
1 548 . 1 1 1 A 42 42 PHE C C 42 174.437 177.277 -2.840 1
1 549 . 1 1 1 A 42 42 PHE CA C 42 54.439 61.580 -7.141 1
1 550 . 1 1 1 A 42 42 PHE CB C 42 38.059 38.663 -0.604 1
1 556 . 1 1 1 A 42 42 PHE N N 42 117.304 119.132 -1.828 1
1 557 . 1 1 1 A 43 43 LYS H H 43 7.371 7.843 -0.472 1
1 558 . 1 1 1 A 43 43 LYS HA H 43 4.304 4.398 -0.094 1
1 567 . 1 1 1 A 43 43 LYS C C 43 175.800 176.069 -0.269 1
1 568 . 1 1 1 A 43 43 LYS CA C 43 57.474 56.451 1.023 1
1 569 . 1 1 1 A 43 43 LYS CB C 43 34.978 32.989 1.989 1
1 573 . 1 1 1 A 43 43 LYS N N 43 116.029 118.922 -2.893 1
1 574 . 1 1 1 A 44 44 LYS H H 44 7.593 7.426 0.167 1
1 575 . 1 1 1 A 44 44 LYS HA H 44 4.302 4.545 -0.243 1
1 584 . 1 1 1 A 44 44 LYS C C 44 173.608 174.943 -1.335 1
1 585 . 1 1 1 A 44 44 LYS CA C 44 55.169 55.147 0.022 1
1 586 . 1 1 1 A 44 44 LYS CB C 44 33.123 34.405 -1.282 1
1 590 . 1 1 1 A 44 44 LYS N N 44 119.851 120.488 -0.637 1
1 591 . 1 1 1 A 45 45 ASP H H 45 8.774 8.812 -0.038 1
1 592 . 1 1 1 A 45 45 ASP HA H 45 4.200 4.026 0.174 1
1 595 . 1 1 1 A 45 45 ASP C C 45 172.128 174.801 -2.673 1
1 596 . 1 1 1 A 45 45 ASP CA C 45 53.963 54.535 -0.572 1
1 597 . 1 1 1 A 45 45 ASP CB C 45 40.263 39.260 1.003 1
1 598 . 1 1 1 A 45 45 ASP N N 45 122.276 125.746 -3.470 1
1 599 . 1 1 1 A 46 46 PRO HA H 46 3.930 3.512 0.418 1
1 606 . 1 1 1 A 46 46 PRO C C 46 176.968 175.466 1.502 1
1 607 . 1 1 1 A 46 46 PRO CA C 46 62.964 62.141 0.823 1
1 608 . 1 1 1 A 46 46 PRO CB C 46 30.892 29.933 0.959 1
1 611 . 1 1 1 A 47 47 SER H H 47 8.018 8.227 -0.209 1
1 612 . 1 1 1 A 47 47 SER HA H 47 4.676 4.898 -0.222 1
1 615 . 1 1 1 A 47 47 SER C C 47 175.465 174.243 1.222 1
1 616 . 1 1 1 A 47 47 SER CA C 47 57.014 57.821 -0.807 1
1 617 . 1 1 1 A 47 47 SER CB C 47 66.436 65.838 0.598 1
1 618 . 1 1 1 A 47 47 SER N N 47 112.273 118.913 -6.640 1
1 619 . 1 1 1 A 48 48 ILE H H 48 9.489 9.007 0.482 1
1 620 . 1 1 1 A 48 48 ILE HA H 48 4.013 4.046 -0.033 1
1 630 . 1 1 1 A 48 48 ILE C C 48 177.681 177.528 0.153 1
1 631 . 1 1 1 A 48 48 ILE CA C 48 64.456 65.859 -1.403 1
1 632 . 1 1 1 A 48 48 ILE CB C 48 36.382 38.109 -1.727 1
1 636 . 1 1 1 A 48 48 ILE N N 48 126.826 126.011 0.815 1
1 637 . 1 1 1 A 49 49 LYS H H 49 8.735 8.262 0.473 1
1 638 . 1 1 1 A 49 49 LYS HA H 49 3.984 3.948 0.036 1
1 647 . 1 1 1 A 49 49 LYS C C 49 179.784 179.204 0.580 1
1 648 . 1 1 1 A 49 49 LYS CA C 49 60.562 59.616 0.946 1
1 649 . 1 1 1 A 49 49 LYS CB C 49 32.533 31.987 0.546 1
1 653 . 1 1 1 A 49 49 LYS N N 49 118.592 120.563 -1.971 1
1 654 . 1 1 1 A 50 50 SER H H 50 8.065 7.781 0.284 1
1 655 . 1 1 1 A 50 50 SER HA H 50 4.270 4.212 0.058 1
1 658 . 1 1 1 A 50 50 SER C C 50 178.135 177.509 0.626 1
1 659 . 1 1 1 A 50 50 SER CA C 50 61.431 61.607 -0.176 1
1 660 . 1 1 1 A 50 50 SER CB C 50 62.672 62.870 -0.198 1
1 661 . 1 1 1 A 50 50 SER N N 50 114.354 115.580 -1.226 1
1 662 . 1 1 1 A 51 51 SER H H 51 8.300 8.012 0.288 1
1 663 . 1 1 1 A 51 51 SER HA H 51 4.681 4.103 0.578 1
1 666 . 1 1 1 A 51 51 SER C C 51 176.245 176.023 0.222 1
1 667 . 1 1 1 A 51 51 SER CA C 51 63.327 62.445 0.882 1
1 668 . 1 1 1 A 51 51 SER CB C 51 64.340 63.092 1.248 1
1 669 . 1 1 1 A 51 51 SER N N 51 120.855 117.735 3.120 1
1 670 . 1 1 1 A 52 52 LEU H H 52 8.849 8.556 0.293 1
1 671 . 1 1 1 A 52 52 LEU HA H 52 3.902 3.975 -0.073 1
1 681 . 1 1 1 A 52 52 LEU C C 52 178.339 179.029 -0.690 1
1 682 . 1 1 1 A 52 52 LEU CA C 52 58.600 58.235 0.365 1
1 683 . 1 1 1 A 52 52 LEU CB C 52 41.685 41.882 -0.197 1
1 687 . 1 1 1 A 52 52 LEU N N 52 122.627 120.965 1.662 1
1 688 . 1 1 1 A 53 53 LYS H H 53 7.268 8.051 -0.783 1
1 689 . 1 1 1 A 53 53 LYS HA H 53 3.957 3.887 0.070 1
1 698 . 1 1 1 A 53 53 LYS C C 53 178.750 178.791 -0.041 1
1 699 . 1 1 1 A 53 53 LYS CA C 53 59.867 59.427 0.440 1
1 700 . 1 1 1 A 53 53 LYS CB C 53 32.475 32.008 0.467 1
1 704 . 1 1 1 A 53 53 LYS N N 53 117.100 119.701 -2.601 1
1 705 . 1 1 1 A 54 54 PHE H H 54 7.388 8.122 -0.734 1
1 706 . 1 1 1 A 54 54 PHE HA H 54 4.167 4.075 0.092 1
1 714 . 1 1 1 A 54 54 PHE C C 54 178.975 176.660 2.315 1
1 715 . 1 1 1 A 54 54 PHE CA C 54 61.515 61.340 0.175 1
1 716 . 1 1 1 A 54 54 PHE CB C 54 39.619 39.175 0.444 1
1 722 . 1 1 1 A 54 54 PHE N N 54 117.704 120.788 -3.084 1
1 723 . 1 1 1 A 55 55 LEU H H 55 9.142 8.527 0.615 1
1 724 . 1 1 1 A 55 55 LEU HA H 55 3.720 3.809 -0.089 1
1 734 . 1 1 1 A 55 55 LEU C C 55 178.763 179.339 -0.576 1
1 735 . 1 1 1 A 55 55 LEU CA C 55 57.656 57.706 -0.050 1
1 736 . 1 1 1 A 55 55 LEU CB C 55 42.837 41.109 1.728 1
1 740 . 1 1 1 A 55 55 LEU N N 55 120.396 118.431 1.965 1
1 741 . 1 1 1 A 56 56 ARG H H 56 8.338 8.061 0.277 1
1 742 . 1 1 1 A 56 56 ARG HA H 56 3.855 3.957 -0.102 1
1 750 . 1 1 1 A 56 56 ARG C C 56 176.697 178.622 -1.925 1
1 751 . 1 1 1 A 56 56 ARG CA C 56 59.452 59.658 -0.206 1
1 752 . 1 1 1 A 56 56 ARG CB C 56 30.239 29.827 0.412 1
1 755 . 1 1 1 A 56 56 ARG N N 56 116.866 119.418 -2.552 1
1 757 . 1 1 1 A 57 57 LYS H H 57 6.770 7.757 -0.987 1
1 758 . 1 1 1 A 57 57 LYS HA H 57 4.542 4.011 0.531 1
1 767 . 1 1 1 A 57 57 LYS C C 57 176.148 176.631 -0.483 1
1 768 . 1 1 1 A 57 57 LYS CA C 57 55.545 58.846 -3.301 1
1 769 . 1 1 1 A 57 57 LYS CB C 57 33.805 32.147 1.658 1
1 773 . 1 1 1 A 57 57 LYS N N 57 113.205 118.426 -5.221 1
1 774 . 1 1 1 A 58 58 THR H H 58 6.908 7.609 -0.701 1
1 775 . 1 1 1 A 58 58 THR HA H 58 4.212 4.330 -0.118 1
1 780 . 1 1 1 A 58 58 THR C C 58 173.643 174.100 -0.457 1
1 781 . 1 1 1 A 58 58 THR CA C 58 60.688 61.300 -0.612 1
1 782 . 1 1 1 A 58 58 THR CB C 58 67.557 66.089 1.468 1
1 784 . 1 1 1 A 58 58 THR N N 58 117.915 113.728 4.187 1
1 785 . 1 1 1 A 59 59 ASP H H 59 8.789 7.860 0.929 1
1 786 . 1 1 1 A 59 59 ASP HA H 59 4.128 4.153 -0.025 1
1 789 . 1 1 1 A 59 59 ASP C C 59 178.565 177.878 0.687 1
1 790 . 1 1 1 A 59 59 ASP CA C 59 58.506 57.362 1.144 1
1 791 . 1 1 1 A 59 59 ASP CB C 59 39.530 41.248 -1.718 1
1 792 . 1 1 1 A 59 59 ASP N N 59 128.511 126.522 1.989 1
1 793 . 1 1 1 A 60 60 TRP H H 60 8.638 8.321 0.317 1
1 794 . 1 1 1 A 60 60 TRP HA H 60 4.375 4.546 -0.171 1
1 803 . 1 1 1 A 60 60 TRP C C 60 178.277 178.705 -0.428 1
1 804 . 1 1 1 A 60 60 TRP CA C 60 59.183 60.350 -1.167 1
1 805 . 1 1 1 A 60 60 TRP CB C 60 26.962 27.926 -0.964 1
1 811 . 1 1 1 A 60 60 TRP N N 60 117.515 119.044 -1.529 1
1 813 . 1 1 1 A 61 61 ALA H H 61 5.533 7.380 -1.847 1
1 814 . 1 1 1 A 61 61 ALA HA H 61 3.414 3.607 -0.193 1
1 818 . 1 1 1 A 61 61 ALA C C 61 177.616 179.806 -2.190 1
1 819 . 1 1 1 A 61 61 ALA CA C 61 54.478 54.995 -0.517 1
1 820 . 1 1 1 A 61 61 ALA CB C 61 17.904 17.620 0.284 1
1 821 . 1 1 1 A 61 61 ALA N N 61 125.465 123.713 1.752 1
1 822 . 1 1 1 A 62 62 ARG H H 62 7.811 7.360 0.451 1
1 823 . 1 1 1 A 62 62 ARG HA H 62 3.617 4.093 -0.476 1
1 831 . 1 1 1 A 62 62 ARG C C 62 177.918 179.143 -1.225 1
1 832 . 1 1 1 A 62 62 ARG CA C 62 60.708 59.226 1.482 1
1 833 . 1 1 1 A 62 62 ARG CB C 62 29.156 29.892 -0.736 1
1 836 . 1 1 1 A 62 62 ARG N N 62 120.420 118.488 1.932 1
1 838 . 1 1 1 A 63 63 GLU H H 63 8.412 8.209 0.203 1
1 839 . 1 1 1 A 63 63 GLU HA H 63 4.041 4.293 -0.252 1
1 844 . 1 1 1 A 63 63 GLU C C 63 178.935 179.010 -0.075 1
1 845 . 1 1 1 A 63 63 GLU CA C 63 59.509 59.024 0.485 1
1 846 . 1 1 1 A 63 63 GLU CB C 63 28.759 29.385 -0.626 1
1 848 . 1 1 1 A 63 63 GLU N N 63 117.144 118.048 -0.904 1
1 849 . 1 1 1 A 64 64 ARG H H 64 7.603 7.895 -0.292 1
1 850 . 1 1 1 A 64 64 ARG HA H 64 4.256 4.116 0.140 1
1 858 . 1 1 1 A 64 64 ARG C C 64 179.133 178.533 0.600 1
1 859 . 1 1 1 A 64 64 ARG CA C 64 59.340 59.364 -0.024 1
1 860 . 1 1 1 A 64 64 ARG CB C 64 30.067 30.155 -0.088 1
1 863 . 1 1 1 A 64 64 ARG N N 64 118.298 120.040 -1.742 1
1 865 . 1 1 1 A 65 65 VAL H H 65 8.065 8.382 -0.317 1
1 866 . 1 1 1 A 65 65 VAL HA H 65 3.713 3.550 0.163 1
1 874 . 1 1 1 A 65 65 VAL C C 65 177.638 177.697 -0.059 1
1 875 . 1 1 1 A 65 65 VAL CA C 65 66.891 66.716 0.175 1
1 876 . 1 1 1 A 65 65 VAL CB C 65 31.480 31.449 0.031 1
1 879 . 1 1 1 A 65 65 VAL N N 65 117.270 120.436 -3.166 1
1 880 . 1 1 1 A 66 66 GLU H H 66 8.583 8.513 0.070 1
1 881 . 1 1 1 A 66 66 GLU HA H 66 3.912 3.961 -0.049 1
1 886 . 1 1 1 A 66 66 GLU C C 66 178.380 179.271 -0.891 1
1 887 . 1 1 1 A 66 66 GLU CA C 66 60.256 60.386 -0.130 1
1 888 . 1 1 1 A 66 66 GLU CB C 66 28.691 29.211 -0.520 1
1 890 . 1 1 1 A 66 66 GLU N N 66 119.924 118.893 1.031 1
1 891 . 1 1 1 A 67 67 ASN H H 67 8.267 8.068 0.199 1
1 892 . 1 1 1 A 67 67 ASN HA H 67 4.567 4.494 0.073 1
1 897 . 1 1 1 A 67 67 ASN C C 67 178.338 178.013 0.325 1
1 898 . 1 1 1 A 67 67 ASN CA C 67 56.900 56.551 0.349 1
1 899 . 1 1 1 A 67 67 ASN CB C 67 38.802 39.893 -1.091 1
1 901 . 1 1 1 A 67 67 ASN N N 67 117.574 117.968 -0.394 1
1 903 . 1 1 1 A 68 68 ILE H H 68 8.132 7.696 0.436 1
1 904 . 1 1 1 A 68 68 ILE HA H 68 3.726 3.578 0.148 1
1 914 . 1 1 1 A 68 68 ILE C C 68 178.722 178.010 0.712 1
1 915 . 1 1 1 A 68 68 ILE CA C 68 65.388 65.528 -0.140 1
1 916 . 1 1 1 A 68 68 ILE CB C 68 37.841 37.548 0.293 1
1 920 . 1 1 1 A 68 68 ILE N N 68 121.125 119.794 1.331 1
1 921 . 1 1 1 A 69 69 TYR H H 69 8.146 8.439 -0.293 1
1 922 . 1 1 1 A 69 69 TYR HA H 69 4.058 4.151 -0.093 1
1 929 . 1 1 1 A 69 69 TYR C C 69 177.061 177.392 -0.331 1
1 930 . 1 1 1 A 69 69 TYR CA C 69 62.828 61.653 1.175 1
1 931 . 1 1 1 A 69 69 TYR CB C 69 38.747 38.711 0.036 1
1 936 . 1 1 1 A 69 69 TYR N N 69 121.378 121.154 0.224 1
1 937 . 1 1 1 A 70 70 LEU H H 70 8.630 8.263 0.367 1
1 938 . 1 1 1 A 70 70 LEU HA H 70 3.875 3.890 -0.015 1
1 948 . 1 1 1 A 70 70 LEU C C 70 179.755 179.340 0.415 1
1 949 . 1 1 1 A 70 70 LEU CA C 70 58.230 57.883 0.347 1
1 950 . 1 1 1 A 70 70 LEU CB C 70 41.733 41.372 0.361 1
1 954 . 1 1 1 A 70 70 LEU N N 70 120.179 119.521 0.658 1
1 955 . 1 1 1 A 71 71 LYS H H 71 7.950 8.054 -0.104 1
1 956 . 1 1 1 A 71 71 LYS HA H 71 3.957 3.969 -0.012 1
1 965 . 1 1 1 A 71 71 LYS C C 71 178.961 179.091 -0.130 1
1 966 . 1 1 1 A 71 71 LYS CA C 71 59.684 60.128 -0.444 1
1 967 . 1 1 1 A 71 71 LYS CB C 71 32.421 32.514 -0.093 1
1 971 . 1 1 1 A 71 71 LYS N N 71 118.820 118.874 -0.054 1
1 972 . 1 1 1 A 72 72 LEU H H 72 7.731 7.841 -0.110 1
1 973 . 1 1 1 A 72 72 LEU HA H 72 4.037 4.271 -0.234 1
1 983 . 1 1 1 A 72 72 LEU C C 72 178.533 178.728 -0.195 1
1 984 . 1 1 1 A 72 72 LEU CA C 72 57.352 57.895 -0.543 1
1 985 . 1 1 1 A 72 72 LEU CB C 72 41.406 41.585 -0.179 1
1 989 . 1 1 1 A 72 72 LEU N N 72 121.367 120.653 0.714 1
1 990 . 1 1 1 A 73 73 GLN H H 73 7.884 8.086 -0.202 1
1 991 . 1 1 1 A 73 73 GLN HA H 73 3.852 3.872 -0.020 1
1 998 . 1 1 1 A 73 73 GLN C C 73 177.679 178.767 -1.088 1
1 999 . 1 1 1 A 73 73 GLN CA C 73 57.026 59.183 -2.157 1
1 1000 . 1 1 1 A 73 73 GLN CB C 73 28.148 28.226 -0.078 1
1 1003 . 1 1 1 A 73 73 GLN N N 73 116.639 118.187 -1.548 1
1 1005 . 1 1 1 A 74 74 ARG H H 74 7.725 8.477 -0.752 1
1 1006 . 1 1 1 A 74 74 ARG HA H 74 4.136 4.178 -0.042 1
1 1013 . 1 1 1 A 74 74 ARG C C 74 177.235 177.503 -0.268 1
1 1014 . 1 1 1 A 74 74 ARG CA C 74 57.452 58.034 -0.582 1
1 1015 . 1 1 1 A 74 74 ARG CB C 74 30.308 28.981 1.327 1
1 1018 . 1 1 1 A 74 74 ARG N N 74 118.122 118.645 -0.523 1
1 1019 . 1 1 1 A 75 75 HIS H H 75 7.982 7.793 0.189 1
1 1020 . 1 1 1 A 75 75 HIS HA H 75 4.564 4.516 0.048 1
1 1023 . 1 1 1 A 75 75 HIS C C 75 175.202 174.974 0.228 1
1 1024 . 1 1 1 A 75 75 HIS CA C 75 56.587 57.626 -1.039 1
1 1025 . 1 1 1 A 75 75 HIS CB C 75 28.477 31.202 -2.725 1
1 1026 . 1 1 1 A 75 75 HIS N N 75 117.995 118.775 -0.780 1
1 1027 . 1 1 1 A 76 76 LYS H H 76 8.180 7.589 0.591 1
1 1028 . 1 1 1 A 76 76 LYS HA H 76 4.148 4.119 0.029 1
1 1037 . 1 1 1 A 76 76 LYS C C 76 177.303 175.903 1.400 1
1 1038 . 1 1 1 A 76 76 LYS CA C 76 57.550 55.383 2.167 1
1 1039 . 1 1 1 A 76 76 LYS CB C 76 32.789 33.379 -0.590 1
1 1043 . 1 1 1 A 76 76 LYS N N 76 121.510 119.680 1.830 1
1 1044 . 1 1 1 A 77 77 GLU H H 77 8.321 8.495 -0.174 1
1 1045 . 1 1 1 A 77 77 GLU HA H 77 4.224 4.198 0.026 1
1 1050 . 1 1 1 A 77 77 GLU C C 77 177.067 176.395 0.672 1
1 1051 . 1 1 1 A 77 77 GLU CA C 77 56.991 56.693 0.298 1
1 1052 . 1 1 1 A 77 77 GLU CB C 77 29.841 29.499 0.342 1
1 1054 . 1 1 1 A 77 77 GLU N N 77 120.860 123.574 -2.714 1
1 1055 . 1 1 1 A 78 78 ARG H H 78 8.228 8.471 -0.243 1
1 1056 . 1 1 1 A 78 78 ARG HA H 78 4.240 4.582 -0.342 1
1 1063 . 1 1 1 A 78 78 ARG C C 78 176.577 175.989 0.588 1
1 1064 . 1 1 1 A 78 78 ARG CA C 78 56.786 56.020 0.766 1
1 1065 . 1 1 1 A 78 78 ARG CB C 78 30.413 30.961 -0.548 1
1 1068 . 1 1 1 A 78 78 ARG N N 78 121.081 125.579 -4.498 1
1 1069 . 1 1 1 A 79 79 ASN H H 79 8.333 8.527 -0.194 1
1 1070 . 1 1 1 A 79 79 ASN HA H 79 4.617 4.679 -0.062 1
1 1075 . 1 1 1 A 79 79 ASN C C 79 175.605 176.117 -0.512 1
1 1076 . 1 1 1 A 79 79 ASN CA C 79 53.938 53.528 0.410 1
1 1077 . 1 1 1 A 79 79 ASN CB C 79 38.748 38.617 0.131 1
1 1079 . 1 1 1 A 79 79 ASN N N 79 118.880 122.358 -3.478 1
1 1081 . 1 1 1 A 80 80 GLN H H 80 8.285 8.331 -0.046 1
1 1082 . 1 1 1 A 80 80 GLN HA H 80 4.253 4.489 -0.236 1
1 1089 . 1 1 1 A 80 80 GLN C C 80 176.304 175.394 0.910 1
1 1090 . 1 1 1 A 80 80 GLN CA C 80 56.545 54.671 1.874 1
1 1091 . 1 1 1 A 80 80 GLN CB C 80 29.274 29.151 0.123 1
1 1094 . 1 1 1 A 80 80 GLN N N 80 120.222 123.120 -2.898 1
1 1096 . 1 1 1 A 81 81 LEU H H 81 8.130 8.617 -0.487 1
1 1097 . 1 1 1 A 81 81 LEU HA H 81 4.222 4.423 -0.201 1
1 1107 . 1 1 1 A 81 81 LEU C C 81 177.542 177.842 -0.300 1
1 1108 . 1 1 1 A 81 81 LEU CA C 81 55.736 54.504 1.232 1
1 1109 . 1 1 1 A 81 81 LEU CB C 81 42.196 42.522 -0.326 1
1 1113 . 1 1 1 A 81 81 LEU N N 81 122.119 120.240 1.879 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.081 4.613 -0.532 1
1 5 . 2 1 1 A 2 2 ALA C C 2 173.423 176.596 -3.173 1
1 6 . 2 1 1 A 2 2 ALA CA C 2 51.798 51.166 0.632 1
1 7 . 2 1 1 A 2 2 ALA CB C 2 19.502 20.964 -1.462 1
1 8 . 2 1 1 A 3 3 LEU H H 3 8.547 8.764 -0.217 1
1 9 . 2 1 1 A 3 3 LEU HA H 3 4.394 4.905 -0.511 1
1 19 . 2 1 1 A 3 3 LEU C C 3 176.779 175.041 1.738 1
1 20 . 2 1 1 A 3 3 LEU CA C 3 55.226 53.868 1.358 1
1 21 . 2 1 1 A 3 3 LEU CB C 3 42.472 45.444 -2.972 1
1 25 . 2 1 1 A 3 3 LEU N N 3 122.089 117.548 4.541 1
1 26 . 2 1 1 A 4 4 ILE H H 4 8.319 8.374 -0.055 1
1 27 . 2 1 1 A 4 4 ILE HA H 4 4.167 4.814 -0.647 1
1 37 . 2 1 1 A 4 4 ILE C C 4 176.138 175.304 0.834 1
1 38 . 2 1 1 A 4 4 ILE CA C 4 60.894 59.299 1.595 1
1 39 . 2 1 1 A 4 4 ILE CB C 4 38.595 39.422 -0.827 1
1 43 . 2 1 1 A 4 4 ILE N N 4 123.468 117.383 6.085 1
1 44 . 2 1 1 A 5 5 MET H H 5 8.574 8.686 -0.112 1
1 45 . 2 1 1 A 5 5 MET HA H 5 4.584 4.666 -0.082 1
1 50 . 2 1 1 A 5 5 MET C C 5 176.274 175.690 0.584 1
1 51 . 2 1 1 A 5 5 MET CA C 5 55.348 54.098 1.250 1
1 52 . 2 1 1 A 5 5 MET CB C 5 32.961 30.820 2.141 1
1 54 . 2 1 1 A 5 5 MET N N 5 125.527 123.615 1.912 1
1 55 . 2 1 1 A 6 6 THR H H 6 8.172 8.177 -0.005 1
1 56 . 2 1 1 A 6 6 THR HA H 6 4.331 4.313 0.018 1
1 61 . 2 1 1 A 6 6 THR C C 6 174.578 174.631 -0.053 1
1 62 . 2 1 1 A 6 6 THR CA C 6 61.849 61.929 -0.080 1
1 63 . 2 1 1 A 6 6 THR CB C 6 69.904 68.199 1.705 1
1 65 . 2 1 1 A 6 6 THR N N 6 115.487 117.128 -1.641 1
1 66 . 2 1 1 A 7 7 GLN H H 7 8.461 8.580 -0.119 1
1 67 . 2 1 1 A 7 7 GLN HA H 7 4.317 3.836 0.481 1
1 74 . 2 1 1 A 7 7 GLN C C 7 176.108 174.295 1.813 1
1 75 . 2 1 1 A 7 7 GLN CA C 7 56.149 57.394 -1.245 1
1 76 . 2 1 1 A 7 7 GLN CB C 7 29.491 26.395 3.096 1
1 79 . 2 1 1 A 7 7 GLN N N 7 122.199 118.743 3.456 1
1 81 . 2 1 1 A 8 8 GLN H H 8 8.418 7.720 0.698 1
1 82 . 2 1 1 A 8 8 GLN HA H 8 4.219 4.312 -0.093 1
1 89 . 2 1 1 A 8 8 GLN C C 8 175.704 174.571 1.133 1
1 90 . 2 1 1 A 8 8 GLN CA C 8 56.112 55.344 0.768 1
1 91 . 2 1 1 A 8 8 GLN CB C 8 29.435 28.288 1.147 1
1 94 . 2 1 1 A 8 8 GLN N N 8 121.100 119.523 1.577 1
1 96 . 2 1 1 A 9 9 ASN H H 9 8.404 9.059 -0.655 1
1 97 . 2 1 1 A 9 9 ASN HA H 9 4.654 5.047 -0.393 1
1 102 . 2 1 1 A 9 9 ASN C C 9 174.445 174.093 0.352 1
1 103 . 2 1 1 A 9 9 ASN CA C 9 53.190 52.319 0.871 1
1 104 . 2 1 1 A 9 9 ASN CB C 9 38.913 38.339 0.574 1
1 106 . 2 1 1 A 9 9 ASN N N 9 119.104 125.445 -6.341 1
1 108 . 2 1 1 A 10 10 ASN H H 10 8.306 8.601 -0.295 1
1 109 . 2 1 1 A 10 10 ASN HA H 10 4.964 5.286 -0.322 1
1 114 . 2 1 1 A 10 10 ASN C C 10 174.315 174.729 -0.414 1
1 115 . 2 1 1 A 10 10 ASN CA C 10 51.318 49.201 2.117 1
1 116 . 2 1 1 A 10 10 ASN CB C 10 38.992 40.653 -1.661 1
1 118 . 2 1 1 A 10 10 ASN N N 10 119.847 123.414 -3.567 1
1 120 . 2 1 1 A 11 11 PRO HA H 11 4.427 4.534 -0.107 1
1 127 . 2 1 1 A 11 11 PRO C C 11 177.095 177.842 -0.747 1
1 128 . 2 1 1 A 11 11 PRO CA C 11 64.214 64.513 -0.299 1
1 129 . 2 1 1 A 11 11 PRO CB C 11 32.355 32.222 0.133 1
1 132 . 2 1 1 A 12 12 LEU H H 12 8.102 7.823 0.279 1
1 133 . 2 1 1 A 12 12 LEU HA H 12 4.320 4.370 -0.050 1
1 143 . 2 1 1 A 12 12 LEU C C 12 177.341 178.277 -0.936 1
1 144 . 2 1 1 A 12 12 LEU CA C 12 54.883 54.936 -0.053 1
1 145 . 2 1 1 A 12 12 LEU CB C 12 41.300 41.255 0.045 1
1 149 . 2 1 1 A 12 12 LEU N N 12 117.525 117.534 -0.009 1
1 150 . 2 1 1 A 13 13 HIS H H 13 8.004 7.732 0.272 1
1 151 . 2 1 1 A 13 13 HIS HA H 13 4.453 4.595 -0.142 1
1 154 . 2 1 1 A 13 13 HIS C C 13 175.375 175.385 -0.010 1
1 155 . 2 1 1 A 13 13 HIS CA C 13 56.796 57.422 -0.626 1
1 156 . 2 1 1 A 13 13 HIS CB C 13 28.248 30.293 -2.045 1
1 157 . 2 1 1 A 13 13 HIS N N 13 117.833 120.005 -2.172 1
1 158 . 2 1 1 A 14 14 GLY H H 14 8.530 8.237 0.293 1
1 159 . 2 1 1 A 14 14 GLY HA2 H 14 3.930 3.817 0.113 1
1 160 . 2 1 1 A 14 14 GLY HA3 H 14 3.755 3.855 -0.100 1
1 161 . 2 1 1 A 14 14 GLY C C 14 173.536 174.367 -0.831 1
1 162 . 2 1 1 A 14 14 GLY CA C 14 45.529 46.744 -1.215 1
1 163 . 2 1 1 A 14 14 GLY N N 14 110.385 108.184 2.201 1
1 164 . 2 1 1 A 15 15 ILE H H 15 7.563 7.691 -0.128 1
1 165 . 2 1 1 A 15 15 ILE HA H 15 4.392 4.614 -0.222 1
1 175 . 2 1 1 A 15 15 ILE C C 15 174.878 175.231 -0.353 1
1 176 . 2 1 1 A 15 15 ILE CA C 15 60.102 59.915 0.187 1
1 177 . 2 1 1 A 15 15 ILE CB C 15 39.383 41.687 -2.304 1
1 181 . 2 1 1 A 15 15 ILE N N 15 120.363 119.757 0.606 1
1 182 . 2 1 1 A 16 16 THR H H 16 7.643 8.625 -0.982 1
1 183 . 2 1 1 A 16 16 THR HA H 16 4.381 4.722 -0.341 1
1 188 . 2 1 1 A 16 16 THR C C 16 174.950 175.517 -0.567 1
1 189 . 2 1 1 A 16 16 THR CA C 16 60.355 60.134 0.221 1
1 190 . 2 1 1 A 16 16 THR CB C 16 70.834 71.400 -0.566 1
1 192 . 2 1 1 A 16 16 THR N N 16 115.980 118.018 -2.038 1
1 193 . 2 1 1 A 17 17 LEU H H 17 8.712 8.845 -0.133 1
1 194 . 2 1 1 A 17 17 LEU HA H 17 4.029 4.015 0.014 1
1 204 . 2 1 1 A 17 17 LEU C C 17 178.125 177.832 0.293 1
1 205 . 2 1 1 A 17 17 LEU CA C 17 57.582 58.328 -0.746 1
1 206 . 2 1 1 A 17 17 LEU CB C 17 40.906 41.442 -0.536 1
1 210 . 2 1 1 A 17 17 LEU N N 17 123.337 123.472 -0.135 1
1 211 . 2 1 1 A 18 18 GLN H H 18 8.611 8.272 0.339 1
1 212 . 2 1 1 A 18 18 GLN HA H 18 3.774 4.009 -0.235 1
1 219 . 2 1 1 A 18 18 GLN C C 18 178.211 178.623 -0.412 1
1 220 . 2 1 1 A 18 18 GLN CA C 18 60.388 59.233 1.155 1
1 221 . 2 1 1 A 18 18 GLN CB C 18 27.809 28.776 -0.967 1
1 224 . 2 1 1 A 18 18 GLN N N 18 116.423 118.837 -2.414 1
1 226 . 2 1 1 A 19 19 LYS H H 19 7.861 7.389 0.472 1
1 227 . 2 1 1 A 19 19 LYS HA H 19 3.957 4.175 -0.218 1
1 236 . 2 1 1 A 19 19 LYS C C 19 177.806 178.640 -0.834 1
1 237 . 2 1 1 A 19 19 LYS CA C 19 59.684 58.893 0.791 1
1 238 . 2 1 1 A 19 19 LYS CB C 19 32.300 32.082 0.218 1
1 242 . 2 1 1 A 19 19 LYS N N 19 123.583 120.021 3.562 1
1 243 . 2 1 1 A 20 20 LEU H H 20 8.223 8.059 0.164 1
1 244 . 2 1 1 A 20 20 LEU HA H 20 3.418 3.575 -0.157 1
1 254 . 2 1 1 A 20 20 LEU C C 20 178.417 178.278 0.139 1
1 255 . 2 1 1 A 20 20 LEU CA C 20 59.301 58.051 1.250 1
1 256 . 2 1 1 A 20 20 LEU CB C 20 41.370 41.490 -0.120 1
1 260 . 2 1 1 A 20 20 LEU N N 20 121.397 120.903 0.494 1
1 261 . 2 1 1 A 21 21 LEU H H 21 8.649 8.416 0.233 1
1 262 . 2 1 1 A 21 21 LEU HA H 21 3.872 3.954 -0.082 1
1 272 . 2 1 1 A 21 21 LEU C C 21 178.009 178.741 -0.732 1
1 273 . 2 1 1 A 21 21 LEU CA C 21 58.027 57.996 0.031 1
1 274 . 2 1 1 A 21 21 LEU CB C 21 42.279 41.565 0.714 1
1 278 . 2 1 1 A 21 21 LEU N N 21 118.999 119.787 -0.788 1
1 279 . 2 1 1 A 22 22 THR H H 22 8.025 8.067 -0.042 1
1 280 . 2 1 1 A 22 22 THR HA H 22 3.592 3.796 -0.204 1
1 285 . 2 1 1 A 22 22 THR C C 22 176.358 176.304 0.054 1
1 286 . 2 1 1 A 22 22 THR CA C 22 67.879 66.933 0.946 1
1 287 . 2 1 1 A 22 22 THR CB C 22 68.717 68.542 0.175 1
1 289 . 2 1 1 A 22 22 THR N N 22 115.015 114.976 0.039 1
1 290 . 2 1 1 A 23 23 GLU H H 23 8.158 8.605 -0.447 1
1 291 . 2 1 1 A 23 23 GLU HA H 23 4.068 4.168 -0.100 1
1 296 . 2 1 1 A 23 23 GLU C C 23 180.091 179.701 0.390 1
1 297 . 2 1 1 A 23 23 GLU CA C 23 59.845 59.555 0.290 1
1 298 . 2 1 1 A 23 23 GLU CB C 23 29.101 29.714 -0.613 1
1 300 . 2 1 1 A 23 23 GLU N N 23 120.691 119.584 1.107 1
1 301 . 2 1 1 A 24 24 LEU H H 24 8.121 7.906 0.215 1
1 302 . 2 1 1 A 24 24 LEU HA H 24 4.140 4.347 -0.207 1
1 312 . 2 1 1 A 24 24 LEU C C 24 179.047 179.202 -0.155 1
1 313 . 2 1 1 A 24 24 LEU CA C 24 58.438 58.101 0.337 1
1 314 . 2 1 1 A 24 24 LEU CB C 24 42.715 41.840 0.875 1
1 318 . 2 1 1 A 24 24 LEU N N 24 119.210 120.361 -1.151 1
1 319 . 2 1 1 A 25 25 VAL H H 25 8.577 8.350 0.227 1
1 320 . 2 1 1 A 25 25 VAL HA H 25 2.698 3.179 -0.481 1
1 328 . 2 1 1 A 25 25 VAL C C 25 179.143 177.969 1.174 1
1 329 . 2 1 1 A 25 25 VAL CA C 25 67.077 66.570 0.507 1
1 330 . 2 1 1 A 25 25 VAL CB C 25 31.127 31.037 0.090 1
1 333 . 2 1 1 A 25 25 VAL N N 25 122.036 119.906 2.130 1
1 334 . 2 1 1 A 26 26 GLU H H 26 8.216 8.374 -0.158 1
1 335 . 2 1 1 A 26 26 GLU HA H 26 3.858 3.928 -0.070 1
1 340 . 2 1 1 A 26 26 GLU C C 26 177.409 177.832 -0.423 1
1 341 . 2 1 1 A 26 26 GLU CA C 26 59.105 58.852 0.253 1
1 342 . 2 1 1 A 26 26 GLU CB C 26 29.025 29.256 -0.231 1
1 344 . 2 1 1 A 26 26 GLU N N 26 119.262 118.968 0.294 1
1 345 . 2 1 1 A 27 27 HIS H H 27 7.815 7.418 0.397 1
1 346 . 2 1 1 A 27 27 HIS HA H 27 4.183 4.274 -0.091 1
1 349 . 2 1 1 A 27 27 HIS C C 27 175.618 175.985 -0.367 1
1 350 . 2 1 1 A 27 27 HIS CA C 27 58.932 57.877 1.055 1
1 351 . 2 1 1 A 27 27 HIS CB C 27 29.358 30.718 -1.360 1
1 352 . 2 1 1 A 27 27 HIS N N 27 114.100 117.401 -3.301 1
1 353 . 2 1 1 A 28 28 TYR H H 28 8.628 8.048 0.580 1
1 354 . 2 1 1 A 28 28 TYR HA H 28 4.424 4.376 0.048 1
1 361 . 2 1 1 A 28 28 TYR C C 28 177.445 176.573 0.872 1
1 362 . 2 1 1 A 28 28 TYR CA C 28 60.294 60.035 0.259 1
1 363 . 2 1 1 A 28 28 TYR CB C 28 40.851 39.436 1.415 1
1 368 . 2 1 1 A 28 28 TYR N N 28 113.706 114.537 -0.831 1
1 369 . 2 1 1 A 29 29 GLY H H 29 7.713 7.730 -0.017 1
1 370 . 2 1 1 A 29 29 GLY HA2 H 29 4.366 3.816 0.550 1
1 371 . 2 1 1 A 29 29 GLY HA3 H 29 3.846 4.018 -0.172 1
1 372 . 2 1 1 A 29 29 GLY C C 29 172.549 175.087 -2.538 1
1 373 . 2 1 1 A 29 29 GLY CA C 29 44.258 44.251 0.007 1
1 374 . 2 1 1 A 29 29 GLY N N 29 107.840 105.654 2.186 1
1 375 . 2 1 1 A 30 30 TRP H H 30 7.960 8.512 -0.552 1
1 376 . 2 1 1 A 30 30 TRP HA H 30 4.136 4.150 -0.014 1
1 385 . 2 1 1 A 30 30 TRP C C 30 178.090 178.714 -0.624 1
1 386 . 2 1 1 A 30 30 TRP CA C 30 60.502 60.072 0.430 1
1 387 . 2 1 1 A 30 30 TRP CB C 30 30.304 29.048 1.256 1
1 393 . 2 1 1 A 30 30 TRP N N 30 118.175 121.374 -3.199 1
1 395 . 2 1 1 A 31 31 GLU H H 31 8.549 8.268 0.281 1
1 396 . 2 1 1 A 31 31 GLU HA H 31 3.992 3.792 0.200 1
1 401 . 2 1 1 A 31 31 GLU C C 31 179.942 178.943 0.999 1
1 402 . 2 1 1 A 31 31 GLU CA C 31 60.090 59.541 0.549 1
1 403 . 2 1 1 A 31 31 GLU CB C 31 28.474 28.973 -0.499 1
1 405 . 2 1 1 A 31 31 GLU N N 31 118.099 119.333 -1.234 1
1 406 . 2 1 1 A 32 32 GLU H H 32 8.962 8.218 0.744 1
1 407 . 2 1 1 A 32 32 GLU HA H 32 4.137 4.072 0.065 1
1 412 . 2 1 1 A 32 32 GLU C C 32 179.651 179.444 0.207 1
1 413 . 2 1 1 A 32 32 GLU CA C 32 58.745 58.876 -0.131 1
1 414 . 2 1 1 A 32 32 GLU CB C 32 28.145 29.747 -1.602 1
1 416 . 2 1 1 A 32 32 GLU N N 32 120.094 119.774 0.320 1
1 417 . 2 1 1 A 33 33 LEU H H 33 7.748 8.263 -0.515 1
1 418 . 2 1 1 A 33 33 LEU HA H 33 3.922 3.810 0.112 1
1 428 . 2 1 1 A 33 33 LEU C C 33 178.833 178.513 0.320 1
1 429 . 2 1 1 A 33 33 LEU CA C 33 58.577 57.661 0.916 1
1 430 . 2 1 1 A 33 33 LEU CB C 33 41.269 41.141 0.128 1
1 434 . 2 1 1 A 33 33 LEU N N 33 118.890 120.713 -1.823 1
1 435 . 2 1 1 A 34 34 SER H H 34 8.607 7.978 0.629 1
1 436 . 2 1 1 A 34 34 SER HA H 34 4.642 4.593 0.049 1
1 439 . 2 1 1 A 34 34 SER C C 34 175.346 175.384 -0.038 1
1 440 . 2 1 1 A 34 34 SER CA C 34 61.247 60.563 0.684 1
1 441 . 2 1 1 A 34 34 SER CB C 34 63.043 63.056 -0.013 1
1 442 . 2 1 1 A 34 34 SER N N 34 114.464 113.440 1.024 1
1 443 . 2 1 1 A 35 35 TYR H H 35 7.395 7.732 -0.337 1
1 444 . 2 1 1 A 35 35 TYR HA H 35 4.537 4.546 -0.009 1
1 451 . 2 1 1 A 35 35 TYR C C 35 177.940 178.438 -0.498 1
1 452 . 2 1 1 A 35 35 TYR CA C 35 58.907 60.220 -1.313 1
1 453 . 2 1 1 A 35 35 TYR CB C 35 37.852 39.345 -1.493 1
1 458 . 2 1 1 A 35 35 TYR N N 35 120.804 120.540 0.264 1
1 459 . 2 1 1 A 36 36 MET H H 36 7.840 8.128 -0.288 1
1 460 . 2 1 1 A 36 36 MET HA H 36 4.158 4.124 0.034 1
1 468 . 2 1 1 A 36 36 MET C C 36 177.049 176.429 0.620 1
1 469 . 2 1 1 A 36 36 MET CA C 36 58.684 58.689 -0.005 1
1 470 . 2 1 1 A 36 36 MET CB C 36 34.927 32.830 2.097 1
1 473 . 2 1 1 A 36 36 MET N N 36 118.425 118.218 0.207 1
1 474 . 2 1 1 A 37 37 VAL H H 37 8.469 8.027 0.442 1
1 475 . 2 1 1 A 37 37 VAL HA H 37 4.265 4.435 -0.170 1
1 483 . 2 1 1 A 37 37 VAL C C 37 173.959 174.879 -0.920 1
1 484 . 2 1 1 A 37 37 VAL CA C 37 61.621 61.836 -0.215 1
1 485 . 2 1 1 A 37 37 VAL CB C 37 32.527 33.060 -0.533 1
1 488 . 2 1 1 A 37 37 VAL N N 37 117.997 118.479 -0.482 1
1 489 . 2 1 1 A 38 38 ASN H H 38 8.677 8.861 -0.184 1
1 490 . 2 1 1 A 38 38 ASN HA H 38 4.948 5.320 -0.372 1
1 495 . 2 1 1 A 38 38 ASN C C 38 174.710 174.353 0.357 1
1 496 . 2 1 1 A 38 38 ASN CA C 38 53.444 53.096 0.348 1
1 497 . 2 1 1 A 38 38 ASN CB C 38 37.001 36.875 0.126 1
1 499 . 2 1 1 A 38 38 ASN N N 38 123.121 126.856 -3.735 1
1 501 . 2 1 1 A 39 39 ILE H H 39 7.744 8.484 -0.740 1
1 502 . 2 1 1 A 39 39 ILE HA H 39 4.655 5.011 -0.356 1
1 512 . 2 1 1 A 39 39 ILE C C 39 176.996 174.180 2.816 1
1 513 . 2 1 1 A 39 39 ILE CA C 39 59.201 58.673 0.528 1
1 514 . 2 1 1 A 39 39 ILE CB C 39 40.558 41.612 -1.054 1
1 518 . 2 1 1 A 39 39 ILE N N 39 115.722 117.747 -2.025 1
1 519 . 2 1 1 A 40 40 ASN H H 40 8.881 8.693 0.188 1
1 520 . 2 1 1 A 40 40 ASN HA H 40 4.192 4.674 -0.482 1
1 525 . 2 1 1 A 40 40 ASN C C 40 177.705 174.812 2.893 1
1 526 . 2 1 1 A 40 40 ASN CA C 40 56.883 52.246 4.637 1
1 527 . 2 1 1 A 40 40 ASN CB C 40 38.313 37.048 1.265 1
1 529 . 2 1 1 A 40 40 ASN N N 40 124.600 123.815 0.785 1
1 531 . 2 1 1 A 41 41 CYS H H 41 8.034 8.442 -0.408 1
1 532 . 2 1 1 A 41 41 CYS HA H 41 4.373 4.340 0.033 1
1 535 . 2 1 1 A 41 41 CYS C C 41 174.303 175.543 -1.240 1
1 536 . 2 1 1 A 41 41 CYS CA C 41 59.164 59.432 -0.268 1
1 537 . 2 1 1 A 41 41 CYS CB C 41 26.126 29.824 -3.698 1
1 538 . 2 1 1 A 41 41 CYS N N 41 115.097 124.264 -9.167 1
1 539 . 2 1 1 A 42 42 PHE H H 42 7.031 7.255 -0.224 1
1 540 . 2 1 1 A 42 42 PHE HA H 42 4.937 4.435 0.502 1
1 548 . 2 1 1 A 42 42 PHE C C 42 174.437 177.080 -2.643 1
1 549 . 2 1 1 A 42 42 PHE CA C 42 54.439 59.793 -5.354 1
1 550 . 2 1 1 A 42 42 PHE CB C 42 38.059 38.603 -0.544 1
1 556 . 2 1 1 A 42 42 PHE N N 42 117.304 119.139 -1.835 1
1 557 . 2 1 1 A 43 43 LYS H H 43 7.371 7.591 -0.220 1
1 558 . 2 1 1 A 43 43 LYS HA H 43 4.304 4.312 -0.008 1
1 567 . 2 1 1 A 43 43 LYS C C 43 175.800 176.312 -0.512 1
1 568 . 2 1 1 A 43 43 LYS CA C 43 57.474 57.505 -0.031 1
1 569 . 2 1 1 A 43 43 LYS CB C 43 34.978 33.102 1.876 1
1 573 . 2 1 1 A 43 43 LYS N N 43 116.029 116.821 -0.792 1
1 574 . 2 1 1 A 44 44 LYS H H 44 7.593 7.764 -0.171 1
1 575 . 2 1 1 A 44 44 LYS HA H 44 4.302 4.284 0.018 1
1 584 . 2 1 1 A 44 44 LYS C C 44 173.608 176.025 -2.417 1
1 585 . 2 1 1 A 44 44 LYS CA C 44 55.169 56.614 -1.445 1
1 586 . 2 1 1 A 44 44 LYS CB C 44 33.123 32.897 0.226 1
1 590 . 2 1 1 A 44 44 LYS N N 44 119.851 117.222 2.629 1
1 591 . 2 1 1 A 45 45 ASP H H 45 8.774 8.973 -0.199 1
1 592 . 2 1 1 A 45 45 ASP HA H 45 4.200 4.140 0.060 1
1 595 . 2 1 1 A 45 45 ASP C C 45 172.128 174.914 -2.786 1
1 596 . 2 1 1 A 45 45 ASP CA C 45 53.963 54.792 -0.829 1
1 597 . 2 1 1 A 45 45 ASP CB C 45 40.263 39.441 0.822 1
1 598 . 2 1 1 A 45 45 ASP N N 45 122.276 119.843 2.433 1
1 599 . 2 1 1 A 46 46 PRO HA H 46 3.930 3.688 0.242 1
1 606 . 2 1 1 A 46 46 PRO C C 46 176.968 174.742 2.226 1
1 607 . 2 1 1 A 46 46 PRO CA C 46 62.964 61.801 1.163 1
1 608 . 2 1 1 A 46 46 PRO CB C 46 30.892 28.856 2.036 1
1 611 . 2 1 1 A 47 47 SER H H 47 8.018 8.070 -0.052 1
1 612 . 2 1 1 A 47 47 SER HA H 47 4.676 4.982 -0.306 1
1 615 . 2 1 1 A 47 47 SER C C 47 175.465 174.717 0.748 1
1 616 . 2 1 1 A 47 47 SER CA C 47 57.014 56.539 0.475 1
1 617 . 2 1 1 A 47 47 SER CB C 47 66.436 65.158 1.278 1
1 618 . 2 1 1 A 47 47 SER N N 47 112.273 117.976 -5.703 1
1 619 . 2 1 1 A 48 48 ILE H H 48 9.489 9.056 0.433 1
1 620 . 2 1 1 A 48 48 ILE HA H 48 4.013 4.067 -0.054 1
1 630 . 2 1 1 A 48 48 ILE C C 48 177.681 178.124 -0.443 1
1 631 . 2 1 1 A 48 48 ILE CA C 48 64.456 65.478 -1.022 1
1 632 . 2 1 1 A 48 48 ILE CB C 48 36.382 37.603 -1.221 1
1 636 . 2 1 1 A 48 48 ILE N N 48 126.826 129.156 -2.330 1
1 637 . 2 1 1 A 49 49 LYS H H 49 8.735 7.612 1.123 1
1 638 . 2 1 1 A 49 49 LYS HA H 49 3.984 4.077 -0.093 1
1 647 . 2 1 1 A 49 49 LYS C C 49 179.784 178.692 1.092 1
1 648 . 2 1 1 A 49 49 LYS CA C 49 60.562 59.527 1.035 1
1 649 . 2 1 1 A 49 49 LYS CB C 49 32.533 32.394 0.139 1
1 653 . 2 1 1 A 49 49 LYS N N 49 118.592 122.067 -3.475 1
1 654 . 2 1 1 A 50 50 SER H H 50 8.065 8.337 -0.272 1
1 655 . 2 1 1 A 50 50 SER HA H 50 4.270 4.182 0.088 1
1 658 . 2 1 1 A 50 50 SER C C 50 178.135 176.696 1.439 1
1 659 . 2 1 1 A 50 50 SER CA C 50 61.431 61.331 0.100 1
1 660 . 2 1 1 A 50 50 SER CB C 50 62.672 62.455 0.217 1
1 661 . 2 1 1 A 50 50 SER N N 50 114.354 116.045 -1.691 1
1 662 . 2 1 1 A 51 51 SER H H 51 8.300 8.421 -0.121 1
1 663 . 2 1 1 A 51 51 SER HA H 51 4.681 4.334 0.347 1
1 666 . 2 1 1 A 51 51 SER C C 51 176.245 176.791 -0.546 1
1 667 . 2 1 1 A 51 51 SER CA C 51 63.327 61.645 1.682 1
1 668 . 2 1 1 A 51 51 SER CB C 51 64.340 62.609 1.731 1
1 669 . 2 1 1 A 51 51 SER N N 51 120.855 115.899 4.956 1
1 670 . 2 1 1 A 52 52 LEU H H 52 8.849 8.292 0.557 1
1 671 . 2 1 1 A 52 52 LEU HA H 52 3.902 4.020 -0.118 1
1 681 . 2 1 1 A 52 52 LEU C C 52 178.339 179.176 -0.837 1
1 682 . 2 1 1 A 52 52 LEU CA C 52 58.600 58.139 0.461 1
1 683 . 2 1 1 A 52 52 LEU CB C 52 41.685 41.640 0.045 1
1 687 . 2 1 1 A 52 52 LEU N N 52 122.627 122.172 0.455 1
1 688 . 2 1 1 A 53 53 LYS H H 53 7.268 8.138 -0.870 1
1 689 . 2 1 1 A 53 53 LYS HA H 53 3.957 3.875 0.082 1
1 698 . 2 1 1 A 53 53 LYS C C 53 178.750 179.052 -0.302 1
1 699 . 2 1 1 A 53 53 LYS CA C 53 59.867 59.271 0.596 1
1 700 . 2 1 1 A 53 53 LYS CB C 53 32.475 32.118 0.357 1
1 704 . 2 1 1 A 53 53 LYS N N 53 117.100 119.690 -2.590 1
1 705 . 2 1 1 A 54 54 PHE H H 54 7.388 8.055 -0.667 1
1 706 . 2 1 1 A 54 54 PHE HA H 54 4.167 4.104 0.063 1
1 714 . 2 1 1 A 54 54 PHE C C 54 178.975 176.883 2.092 1
1 715 . 2 1 1 A 54 54 PHE CA C 54 61.515 61.353 0.162 1
1 716 . 2 1 1 A 54 54 PHE CB C 54 39.619 38.813 0.806 1
1 722 . 2 1 1 A 54 54 PHE N N 54 117.704 120.522 -2.818 1
1 723 . 2 1 1 A 55 55 LEU H H 55 9.142 8.669 0.473 1
1 724 . 2 1 1 A 55 55 LEU HA H 55 3.720 3.789 -0.069 1
1 734 . 2 1 1 A 55 55 LEU C C 55 178.763 179.313 -0.550 1
1 735 . 2 1 1 A 55 55 LEU CA C 55 57.656 57.706 -0.050 1
1 736 . 2 1 1 A 55 55 LEU CB C 55 42.837 41.408 1.429 1
1 740 . 2 1 1 A 55 55 LEU N N 55 120.396 118.867 1.529 1
1 741 . 2 1 1 A 56 56 ARG H H 56 8.338 8.359 -0.021 1
1 742 . 2 1 1 A 56 56 ARG HA H 56 3.855 3.950 -0.095 1
1 750 . 2 1 1 A 56 56 ARG C C 56 176.697 178.961 -2.264 1
1 751 . 2 1 1 A 56 56 ARG CA C 56 59.452 59.598 -0.146 1
1 752 . 2 1 1 A 56 56 ARG CB C 56 30.239 29.706 0.533 1
1 755 . 2 1 1 A 56 56 ARG N N 56 116.866 119.147 -2.281 1
1 757 . 2 1 1 A 57 57 LYS H H 57 6.770 8.145 -1.375 1
1 758 . 2 1 1 A 57 57 LYS HA H 57 4.542 4.140 0.402 1
1 767 . 2 1 1 A 57 57 LYS C C 57 176.148 176.064 0.084 1
1 768 . 2 1 1 A 57 57 LYS CA C 57 55.545 57.913 -2.368 1
1 769 . 2 1 1 A 57 57 LYS CB C 57 33.805 31.791 2.014 1
1 773 . 2 1 1 A 57 57 LYS N N 57 113.205 116.994 -3.789 1
1 774 . 2 1 1 A 58 58 THR H H 58 6.908 7.252 -0.344 1
1 775 . 2 1 1 A 58 58 THR HA H 58 4.212 4.247 -0.035 1
1 780 . 2 1 1 A 58 58 THR C C 58 173.643 173.897 -0.254 1
1 781 . 2 1 1 A 58 58 THR CA C 58 60.688 61.190 -0.502 1
1 782 . 2 1 1 A 58 58 THR CB C 58 67.557 67.687 -0.130 1
1 784 . 2 1 1 A 58 58 THR N N 58 117.915 114.723 3.192 1
1 785 . 2 1 1 A 59 59 ASP H H 59 8.789 8.661 0.128 1
1 786 . 2 1 1 A 59 59 ASP HA H 59 4.128 4.181 -0.053 1
1 789 . 2 1 1 A 59 59 ASP C C 59 178.565 178.905 -0.340 1
1 790 . 2 1 1 A 59 59 ASP CA C 59 58.506 58.106 0.400 1
1 791 . 2 1 1 A 59 59 ASP CB C 59 39.530 40.357 -0.827 1
1 792 . 2 1 1 A 59 59 ASP N N 59 128.511 127.624 0.887 1
1 793 . 2 1 1 A 60 60 TRP H H 60 8.638 8.415 0.223 1
1 794 . 2 1 1 A 60 60 TRP HA H 60 4.375 4.533 -0.158 1
1 803 . 2 1 1 A 60 60 TRP C C 60 178.277 178.544 -0.267 1
1 804 . 2 1 1 A 60 60 TRP CA C 60 59.183 58.923 0.260 1
1 805 . 2 1 1 A 60 60 TRP CB C 60 26.962 27.673 -0.711 1
1 811 . 2 1 1 A 60 60 TRP N N 60 117.515 118.843 -1.328 1
1 813 . 2 1 1 A 61 61 ALA H H 61 5.533 7.437 -1.904 1
1 814 . 2 1 1 A 61 61 ALA HA H 61 3.414 3.771 -0.357 1
1 818 . 2 1 1 A 61 61 ALA C C 61 177.616 179.671 -2.055 1
1 819 . 2 1 1 A 61 61 ALA CA C 61 54.478 54.874 -0.396 1
1 820 . 2 1 1 A 61 61 ALA CB C 61 17.904 18.010 -0.106 1
1 821 . 2 1 1 A 61 61 ALA N N 61 125.465 123.854 1.611 1
1 822 . 2 1 1 A 62 62 ARG H H 62 7.811 7.733 0.078 1
1 823 . 2 1 1 A 62 62 ARG HA H 62 3.617 3.935 -0.318 1
1 831 . 2 1 1 A 62 62 ARG C C 62 177.918 179.176 -1.258 1
1 832 . 2 1 1 A 62 62 ARG CA C 62 60.708 59.971 0.737 1
1 833 . 2 1 1 A 62 62 ARG CB C 62 29.156 30.013 -0.857 1
1 836 . 2 1 1 A 62 62 ARG N N 62 120.420 117.946 2.474 1
1 838 . 2 1 1 A 63 63 GLU H H 63 8.412 8.653 -0.241 1
1 839 . 2 1 1 A 63 63 GLU HA H 63 4.041 4.096 -0.055 1
1 844 . 2 1 1 A 63 63 GLU C C 63 178.935 179.269 -0.334 1
1 845 . 2 1 1 A 63 63 GLU CA C 63 59.509 59.294 0.215 1
1 846 . 2 1 1 A 63 63 GLU CB C 63 28.759 29.310 -0.551 1
1 848 . 2 1 1 A 63 63 GLU N N 63 117.144 119.626 -2.482 1
1 849 . 2 1 1 A 64 64 ARG H H 64 7.603 7.895 -0.292 1
1 850 . 2 1 1 A 64 64 ARG HA H 64 4.256 4.095 0.161 1
1 858 . 2 1 1 A 64 64 ARG C C 64 179.133 178.360 0.773 1
1 859 . 2 1 1 A 64 64 ARG CA C 64 59.340 59.624 -0.284 1
1 860 . 2 1 1 A 64 64 ARG CB C 64 30.067 30.892 -0.825 1
1 863 . 2 1 1 A 64 64 ARG N N 64 118.298 120.087 -1.789 1
1 865 . 2 1 1 A 65 65 VAL H H 65 8.065 8.451 -0.386 1
1 866 . 2 1 1 A 65 65 VAL HA H 65 3.713 3.656 0.057 1
1 874 . 2 1 1 A 65 65 VAL C C 65 177.638 177.951 -0.313 1
1 875 . 2 1 1 A 65 65 VAL CA C 65 66.891 66.466 0.425 1
1 876 . 2 1 1 A 65 65 VAL CB C 65 31.480 31.452 0.028 1
1 879 . 2 1 1 A 65 65 VAL N N 65 117.270 119.625 -2.355 1
1 880 . 2 1 1 A 66 66 GLU H H 66 8.583 8.518 0.065 1
1 881 . 2 1 1 A 66 66 GLU HA H 66 3.912 3.997 -0.085 1
1 886 . 2 1 1 A 66 66 GLU C C 66 178.380 179.550 -1.170 1
1 887 . 2 1 1 A 66 66 GLU CA C 66 60.256 59.803 0.453 1
1 888 . 2 1 1 A 66 66 GLU CB C 66 28.691 29.244 -0.553 1
1 890 . 2 1 1 A 66 66 GLU N N 66 119.924 119.115 0.809 1
1 891 . 2 1 1 A 67 67 ASN H H 67 8.267 8.268 -0.001 1
1 892 . 2 1 1 A 67 67 ASN HA H 67 4.567 4.546 0.021 1
1 897 . 2 1 1 A 67 67 ASN C C 67 178.338 177.861 0.477 1
1 898 . 2 1 1 A 67 67 ASN CA C 67 56.900 56.568 0.332 1
1 899 . 2 1 1 A 67 67 ASN CB C 67 38.802 38.943 -0.141 1
1 901 . 2 1 1 A 67 67 ASN N N 67 117.574 117.665 -0.091 1
1 903 . 2 1 1 A 68 68 ILE H H 68 8.132 7.686 0.446 1
1 904 . 2 1 1 A 68 68 ILE HA H 68 3.726 3.600 0.126 1
1 914 . 2 1 1 A 68 68 ILE C C 68 178.722 178.167 0.555 1
1 915 . 2 1 1 A 68 68 ILE CA C 68 65.388 65.185 0.203 1
1 916 . 2 1 1 A 68 68 ILE CB C 68 37.841 37.314 0.527 1
1 920 . 2 1 1 A 68 68 ILE N N 68 121.125 119.421 1.704 1
1 921 . 2 1 1 A 69 69 TYR H H 69 8.146 8.071 0.075 1
1 922 . 2 1 1 A 69 69 TYR HA H 69 4.058 4.201 -0.143 1
1 929 . 2 1 1 A 69 69 TYR C C 69 177.061 177.461 -0.400 1
1 930 . 2 1 1 A 69 69 TYR CA C 69 62.828 61.402 1.426 1
1 931 . 2 1 1 A 69 69 TYR CB C 69 38.747 38.810 -0.063 1
1 936 . 2 1 1 A 69 69 TYR N N 69 121.378 121.847 -0.469 1
1 937 . 2 1 1 A 70 70 LEU H H 70 8.630 8.329 0.301 1
1 938 . 2 1 1 A 70 70 LEU HA H 70 3.875 3.843 0.032 1
1 948 . 2 1 1 A 70 70 LEU C C 70 179.755 179.119 0.636 1
1 949 . 2 1 1 A 70 70 LEU CA C 70 58.230 58.209 0.021 1
1 950 . 2 1 1 A 70 70 LEU CB C 70 41.733 41.322 0.411 1
1 954 . 2 1 1 A 70 70 LEU N N 70 120.179 119.672 0.507 1
1 955 . 2 1 1 A 71 71 LYS H H 71 7.950 8.250 -0.300 1
1 956 . 2 1 1 A 71 71 LYS HA H 71 3.957 3.964 -0.007 1
1 965 . 2 1 1 A 71 71 LYS C C 71 178.961 178.769 0.192 1
1 966 . 2 1 1 A 71 71 LYS CA C 71 59.684 60.037 -0.353 1
1 967 . 2 1 1 A 71 71 LYS CB C 71 32.421 31.824 0.597 1
1 971 . 2 1 1 A 71 71 LYS N N 71 118.820 120.650 -1.830 1
1 972 . 2 1 1 A 72 72 LEU H H 72 7.731 7.834 -0.103 1
1 973 . 2 1 1 A 72 72 LEU HA H 72 4.037 4.311 -0.274 1
1 983 . 2 1 1 A 72 72 LEU C C 72 178.533 178.673 -0.140 1
1 984 . 2 1 1 A 72 72 LEU CA C 72 57.352 57.560 -0.208 1
1 985 . 2 1 1 A 72 72 LEU CB C 72 41.406 41.564 -0.158 1
1 989 . 2 1 1 A 72 72 LEU N N 72 121.367 120.915 0.452 1
1 990 . 2 1 1 A 73 73 GLN H H 73 7.884 8.030 -0.146 1
1 991 . 2 1 1 A 73 73 GLN HA H 73 3.852 3.842 0.010 1
1 998 . 2 1 1 A 73 73 GLN C C 73 177.679 177.874 -0.195 1
1 999 . 2 1 1 A 73 73 GLN CA C 73 57.026 59.013 -1.987 1
1 1000 . 2 1 1 A 73 73 GLN CB C 73 28.148 28.234 -0.086 1
1 1003 . 2 1 1 A 73 73 GLN N N 73 116.639 118.555 -1.916 1
1 1005 . 2 1 1 A 74 74 ARG H H 74 7.725 7.847 -0.122 1
1 1006 . 2 1 1 A 74 74 ARG HA H 74 4.136 4.206 -0.070 1
1 1013 . 2 1 1 A 74 74 ARG C C 74 177.235 176.503 0.732 1
1 1014 . 2 1 1 A 74 74 ARG CA C 74 57.452 57.254 0.198 1
1 1015 . 2 1 1 A 74 74 ARG CB C 74 30.308 29.957 0.351 1
1 1018 . 2 1 1 A 74 74 ARG N N 74 118.122 117.553 0.569 1
1 1019 . 2 1 1 A 75 75 HIS H H 75 7.982 8.010 -0.028 1
1 1020 . 2 1 1 A 75 75 HIS HA H 75 4.564 4.770 -0.206 1
1 1023 . 2 1 1 A 75 75 HIS C C 75 175.202 175.143 0.059 1
1 1024 . 2 1 1 A 75 75 HIS CA C 75 56.587 56.089 0.498 1
1 1025 . 2 1 1 A 75 75 HIS CB C 75 28.477 32.130 -3.653 1
1 1026 . 2 1 1 A 75 75 HIS N N 75 117.995 118.965 -0.970 1
1 1027 . 2 1 1 A 76 76 LYS H H 76 8.180 7.734 0.446 1
1 1028 . 2 1 1 A 76 76 LYS HA H 76 4.148 3.945 0.203 1
1 1037 . 2 1 1 A 76 76 LYS C C 76 177.303 176.950 0.353 1
1 1038 . 2 1 1 A 76 76 LYS CA C 76 57.550 54.790 2.760 1
1 1039 . 2 1 1 A 76 76 LYS CB C 76 32.789 30.457 2.332 1
1 1043 . 2 1 1 A 76 76 LYS N N 76 121.510 119.664 1.846 1
1 1044 . 2 1 1 A 77 77 GLU H H 77 8.321 8.129 0.192 1
1 1045 . 2 1 1 A 77 77 GLU HA H 77 4.224 4.218 0.006 1
1 1050 . 2 1 1 A 77 77 GLU C C 77 177.067 176.966 0.101 1
1 1051 . 2 1 1 A 77 77 GLU CA C 77 56.991 57.744 -0.753 1
1 1052 . 2 1 1 A 77 77 GLU CB C 77 29.841 30.079 -0.238 1
1 1054 . 2 1 1 A 77 77 GLU N N 77 120.860 125.009 -4.149 1
1 1055 . 2 1 1 A 78 78 ARG H H 78 8.228 7.618 0.610 1
1 1056 . 2 1 1 A 78 78 ARG HA H 78 4.240 4.313 -0.073 1
1 1063 . 2 1 1 A 78 78 ARG C C 78 176.577 175.449 1.128 1
1 1064 . 2 1 1 A 78 78 ARG CA C 78 56.786 55.911 0.875 1
1 1065 . 2 1 1 A 78 78 ARG CB C 78 30.413 31.099 -0.686 1
1 1068 . 2 1 1 A 78 78 ARG N N 78 121.081 118.765 2.316 1
1 1069 . 2 1 1 A 79 79 ASN H H 79 8.333 8.902 -0.569 1
1 1070 . 2 1 1 A 79 79 ASN HA H 79 4.617 4.766 -0.149 1
1 1075 . 2 1 1 A 79 79 ASN C C 79 175.605 174.637 0.968 1
1 1076 . 2 1 1 A 79 79 ASN CA C 79 53.938 53.126 0.812 1
1 1077 . 2 1 1 A 79 79 ASN CB C 79 38.748 39.609 -0.861 1
1 1079 . 2 1 1 A 79 79 ASN N N 79 118.880 124.591 -5.711 1
1 1081 . 2 1 1 A 80 80 GLN H H 80 8.285 8.553 -0.268 1
1 1082 . 2 1 1 A 80 80 GLN HA H 80 4.253 4.885 -0.632 1
1 1089 . 2 1 1 A 80 80 GLN C C 80 176.304 174.944 1.360 1
1 1090 . 2 1 1 A 80 80 GLN CA C 80 56.545 54.782 1.763 1
1 1091 . 2 1 1 A 80 80 GLN CB C 80 29.274 31.853 -2.579 1
1 1094 . 2 1 1 A 80 80 GLN N N 80 120.222 123.984 -3.762 1
1 1096 . 2 1 1 A 81 81 LEU H H 81 8.130 8.535 -0.405 1
1 1097 . 2 1 1 A 81 81 LEU HA H 81 4.222 4.364 -0.142 1
1 1107 . 2 1 1 A 81 81 LEU C C 81 177.542 177.173 0.369 1
1 1108 . 2 1 1 A 81 81 LEU CA C 81 55.736 54.586 1.150 1
1 1109 . 2 1 1 A 81 81 LEU CB C 81 42.196 42.243 -0.047 1
1 1113 . 2 1 1 A 81 81 LEU N N 81 122.119 127.768 -5.649 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.081 4.312 -0.231 1
1 5 . 3 1 1 A 2 2 ALA C C 2 173.423 177.773 -4.350 1
1 6 . 3 1 1 A 2 2 ALA CA C 2 51.798 52.711 -0.913 1
1 7 . 3 1 1 A 2 2 ALA CB C 2 19.502 19.217 0.285 1
1 8 . 3 1 1 A 3 3 LEU H H 3 8.547 8.406 0.141 1
1 9 . 3 1 1 A 3 3 LEU HA H 3 4.394 4.318 0.076 1
1 19 . 3 1 1 A 3 3 LEU C C 3 176.779 176.986 -0.207 1
1 20 . 3 1 1 A 3 3 LEU CA C 3 55.226 55.642 -0.416 1
1 21 . 3 1 1 A 3 3 LEU CB C 3 42.472 42.360 0.112 1
1 25 . 3 1 1 A 3 3 LEU N N 3 122.089 121.951 0.138 1
1 26 . 3 1 1 A 4 4 ILE H H 4 8.319 8.514 -0.195 1
1 27 . 3 1 1 A 4 4 ILE HA H 4 4.167 4.678 -0.511 1
1 37 . 3 1 1 A 4 4 ILE C C 4 176.138 173.437 2.701 1
1 38 . 3 1 1 A 4 4 ILE CA C 4 60.894 59.346 1.548 1
1 39 . 3 1 1 A 4 4 ILE CB C 4 38.595 42.068 -3.473 1
1 43 . 3 1 1 A 4 4 ILE N N 4 123.468 121.887 1.581 1
1 44 . 3 1 1 A 5 5 MET H H 5 8.574 9.052 -0.478 1
1 45 . 3 1 1 A 5 5 MET HA H 5 4.584 5.336 -0.752 1
1 50 . 3 1 1 A 5 5 MET C C 5 176.274 174.738 1.536 1
1 51 . 3 1 1 A 5 5 MET CA C 5 55.348 54.094 1.254 1
1 52 . 3 1 1 A 5 5 MET CB C 5 32.961 34.737 -1.776 1
1 54 . 3 1 1 A 5 5 MET N N 5 125.527 127.514 -1.987 1
1 55 . 3 1 1 A 6 6 THR H H 6 8.172 8.728 -0.556 1
1 56 . 3 1 1 A 6 6 THR HA H 6 4.331 5.146 -0.815 1
1 61 . 3 1 1 A 6 6 THR C C 6 174.578 173.320 1.258 1
1 62 . 3 1 1 A 6 6 THR CA C 6 61.849 60.640 1.209 1
1 63 . 3 1 1 A 6 6 THR CB C 6 69.904 70.275 -0.371 1
1 65 . 3 1 1 A 6 6 THR N N 6 115.487 116.930 -1.443 1
1 66 . 3 1 1 A 7 7 GLN H H 7 8.461 8.664 -0.203 1
1 67 . 3 1 1 A 7 7 GLN HA H 7 4.317 4.422 -0.105 1
1 74 . 3 1 1 A 7 7 GLN C C 7 176.108 174.860 1.248 1
1 75 . 3 1 1 A 7 7 GLN CA C 7 56.149 55.956 0.193 1
1 76 . 3 1 1 A 7 7 GLN CB C 7 29.491 29.074 0.417 1
1 79 . 3 1 1 A 7 7 GLN N N 7 122.199 126.613 -4.414 1
1 81 . 3 1 1 A 8 8 GLN H H 8 8.418 8.574 -0.156 1
1 82 . 3 1 1 A 8 8 GLN HA H 8 4.219 4.545 -0.326 1
1 89 . 3 1 1 A 8 8 GLN C C 8 175.704 174.752 0.952 1
1 90 . 3 1 1 A 8 8 GLN CA C 8 56.112 55.145 0.967 1
1 91 . 3 1 1 A 8 8 GLN CB C 8 29.435 28.347 1.088 1
1 94 . 3 1 1 A 8 8 GLN N N 8 121.100 126.404 -5.304 1
1 96 . 3 1 1 A 9 9 ASN H H 9 8.404 8.375 0.029 1
1 97 . 3 1 1 A 9 9 ASN HA H 9 4.654 4.578 0.076 1
1 102 . 3 1 1 A 9 9 ASN C C 9 174.445 175.648 -1.203 1
1 103 . 3 1 1 A 9 9 ASN CA C 9 53.190 53.788 -0.598 1
1 104 . 3 1 1 A 9 9 ASN CB C 9 38.913 38.773 0.140 1
1 106 . 3 1 1 A 9 9 ASN N N 9 119.104 123.145 -4.041 1
1 108 . 3 1 1 A 10 10 ASN H H 10 8.306 9.030 -0.724 1
1 109 . 3 1 1 A 10 10 ASN HA H 10 4.964 4.305 0.659 1
1 114 . 3 1 1 A 10 10 ASN C C 10 174.315 175.639 -1.324 1
1 115 . 3 1 1 A 10 10 ASN CA C 10 51.318 53.869 -2.551 1
1 116 . 3 1 1 A 10 10 ASN CB C 10 38.992 36.823 2.169 1
1 118 . 3 1 1 A 10 10 ASN N N 10 119.847 117.004 2.843 1
1 120 . 3 1 1 A 11 11 PRO HA H 11 4.427 4.530 -0.103 1
1 127 . 3 1 1 A 11 11 PRO C C 11 177.095 176.494 0.601 1
1 128 . 3 1 1 A 11 11 PRO CA C 11 64.214 64.052 0.162 1
1 129 . 3 1 1 A 11 11 PRO CB C 11 32.355 31.864 0.491 1
1 132 . 3 1 1 A 12 12 LEU H H 12 8.102 8.083 0.019 1
1 133 . 3 1 1 A 12 12 LEU HA H 12 4.320 4.809 -0.489 1
1 143 . 3 1 1 A 12 12 LEU C C 12 177.341 175.679 1.662 1
1 144 . 3 1 1 A 12 12 LEU CA C 12 54.883 53.862 1.021 1
1 145 . 3 1 1 A 12 12 LEU CB C 12 41.300 42.033 -0.733 1
1 149 . 3 1 1 A 12 12 LEU N N 12 117.525 115.762 1.763 1
1 150 . 3 1 1 A 13 13 HIS H H 13 8.004 8.779 -0.775 1
1 151 . 3 1 1 A 13 13 HIS HA H 13 4.453 5.037 -0.584 1
1 154 . 3 1 1 A 13 13 HIS C C 13 175.375 175.087 0.288 1
1 155 . 3 1 1 A 13 13 HIS CA C 13 56.796 55.117 1.679 1
1 156 . 3 1 1 A 13 13 HIS CB C 13 28.248 33.219 -4.971 1
1 157 . 3 1 1 A 13 13 HIS N N 13 117.833 120.013 -2.180 1
1 158 . 3 1 1 A 14 14 GLY H H 14 8.530 8.397 0.133 1
1 159 . 3 1 1 A 14 14 GLY HA2 H 14 3.930 3.679 0.251 1
1 160 . 3 1 1 A 14 14 GLY HA3 H 14 3.755 3.804 -0.049 1
1 161 . 3 1 1 A 14 14 GLY C C 14 173.536 174.013 -0.477 1
1 162 . 3 1 1 A 14 14 GLY CA C 14 45.529 45.007 0.522 1
1 163 . 3 1 1 A 14 14 GLY N N 14 110.385 114.185 -3.800 1
1 164 . 3 1 1 A 15 15 ILE H H 15 7.563 7.608 -0.045 1
1 165 . 3 1 1 A 15 15 ILE HA H 15 4.392 4.025 0.367 1
1 175 . 3 1 1 A 15 15 ILE C C 15 174.878 176.170 -1.292 1
1 176 . 3 1 1 A 15 15 ILE CA C 15 60.102 61.207 -1.105 1
1 177 . 3 1 1 A 15 15 ILE CB C 15 39.383 38.099 1.284 1
1 181 . 3 1 1 A 15 15 ILE N N 15 120.363 121.843 -1.480 1
1 182 . 3 1 1 A 16 16 THR H H 16 7.643 8.309 -0.666 1
1 183 . 3 1 1 A 16 16 THR HA H 16 4.381 4.661 -0.280 1
1 188 . 3 1 1 A 16 16 THR C C 16 174.950 175.500 -0.550 1
1 189 . 3 1 1 A 16 16 THR CA C 16 60.355 60.590 -0.235 1
1 190 . 3 1 1 A 16 16 THR CB C 16 70.834 70.965 -0.131 1
1 192 . 3 1 1 A 16 16 THR N N 16 115.980 118.375 -2.395 1
1 193 . 3 1 1 A 17 17 LEU H H 17 8.712 8.745 -0.033 1
1 194 . 3 1 1 A 17 17 LEU HA H 17 4.029 4.013 0.016 1
1 204 . 3 1 1 A 17 17 LEU C C 17 178.125 177.812 0.313 1
1 205 . 3 1 1 A 17 17 LEU CA C 17 57.582 58.284 -0.702 1
1 206 . 3 1 1 A 17 17 LEU CB C 17 40.906 41.557 -0.651 1
1 210 . 3 1 1 A 17 17 LEU N N 17 123.337 123.660 -0.323 1
1 211 . 3 1 1 A 18 18 GLN H H 18 8.611 8.292 0.319 1
1 212 . 3 1 1 A 18 18 GLN HA H 18 3.774 4.030 -0.256 1
1 219 . 3 1 1 A 18 18 GLN C C 18 178.211 178.268 -0.057 1
1 220 . 3 1 1 A 18 18 GLN CA C 18 60.388 59.272 1.116 1
1 221 . 3 1 1 A 18 18 GLN CB C 18 27.809 28.622 -0.813 1
1 224 . 3 1 1 A 18 18 GLN N N 18 116.423 118.881 -2.458 1
1 226 . 3 1 1 A 19 19 LYS H H 19 7.861 7.526 0.335 1
1 227 . 3 1 1 A 19 19 LYS HA H 19 3.957 4.103 -0.146 1
1 236 . 3 1 1 A 19 19 LYS C C 19 177.806 178.668 -0.862 1
1 237 . 3 1 1 A 19 19 LYS CA C 19 59.684 59.139 0.545 1
1 238 . 3 1 1 A 19 19 LYS CB C 19 32.300 32.193 0.107 1
1 242 . 3 1 1 A 19 19 LYS N N 19 123.583 120.051 3.532 1
1 243 . 3 1 1 A 20 20 LEU H H 20 8.223 8.138 0.085 1
1 244 . 3 1 1 A 20 20 LEU HA H 20 3.418 3.753 -0.335 1
1 254 . 3 1 1 A 20 20 LEU C C 20 178.417 178.368 0.049 1
1 255 . 3 1 1 A 20 20 LEU CA C 20 59.301 58.236 1.065 1
1 256 . 3 1 1 A 20 20 LEU CB C 20 41.370 41.532 -0.162 1
1 260 . 3 1 1 A 20 20 LEU N N 20 121.397 120.758 0.639 1
1 261 . 3 1 1 A 21 21 LEU H H 21 8.649 8.333 0.316 1
1 262 . 3 1 1 A 21 21 LEU HA H 21 3.872 3.939 -0.067 1
1 272 . 3 1 1 A 21 21 LEU C C 21 178.009 178.664 -0.655 1
1 273 . 3 1 1 A 21 21 LEU CA C 21 58.027 57.853 0.174 1
1 274 . 3 1 1 A 21 21 LEU CB C 21 42.279 41.423 0.856 1
1 278 . 3 1 1 A 21 21 LEU N N 21 118.999 119.682 -0.683 1
1 279 . 3 1 1 A 22 22 THR H H 22 8.025 8.233 -0.208 1
1 280 . 3 1 1 A 22 22 THR HA H 22 3.592 3.765 -0.173 1
1 285 . 3 1 1 A 22 22 THR C C 22 176.358 176.377 -0.019 1
1 286 . 3 1 1 A 22 22 THR CA C 22 67.879 67.041 0.838 1
1 287 . 3 1 1 A 22 22 THR CB C 22 68.717 68.677 0.040 1
1 289 . 3 1 1 A 22 22 THR N N 22 115.015 114.774 0.241 1
1 290 . 3 1 1 A 23 23 GLU H H 23 8.158 8.473 -0.315 1
1 291 . 3 1 1 A 23 23 GLU HA H 23 4.068 3.987 0.081 1
1 296 . 3 1 1 A 23 23 GLU C C 23 180.091 179.659 0.432 1
1 297 . 3 1 1 A 23 23 GLU CA C 23 59.845 59.383 0.462 1
1 298 . 3 1 1 A 23 23 GLU CB C 23 29.101 29.189 -0.088 1
1 300 . 3 1 1 A 23 23 GLU N N 23 120.691 119.317 1.374 1
1 301 . 3 1 1 A 24 24 LEU H H 24 8.121 7.876 0.245 1
1 302 . 3 1 1 A 24 24 LEU HA H 24 4.140 4.288 -0.148 1
1 312 . 3 1 1 A 24 24 LEU C C 24 179.047 178.984 0.063 1
1 313 . 3 1 1 A 24 24 LEU CA C 24 58.438 58.071 0.367 1
1 314 . 3 1 1 A 24 24 LEU CB C 24 42.715 41.946 0.769 1
1 318 . 3 1 1 A 24 24 LEU N N 24 119.210 120.338 -1.128 1
1 319 . 3 1 1 A 25 25 VAL H H 25 8.577 8.251 0.326 1
1 320 . 3 1 1 A 25 25 VAL HA H 25 2.698 3.139 -0.441 1
1 328 . 3 1 1 A 25 25 VAL C C 25 179.143 178.016 1.127 1
1 329 . 3 1 1 A 25 25 VAL CA C 25 67.077 66.760 0.317 1
1 330 . 3 1 1 A 25 25 VAL CB C 25 31.127 30.923 0.204 1
1 333 . 3 1 1 A 25 25 VAL N N 25 122.036 118.727 3.309 1
1 334 . 3 1 1 A 26 26 GLU H H 26 8.216 8.343 -0.127 1
1 335 . 3 1 1 A 26 26 GLU HA H 26 3.858 3.879 -0.021 1
1 340 . 3 1 1 A 26 26 GLU C C 26 177.409 178.941 -1.532 1
1 341 . 3 1 1 A 26 26 GLU CA C 26 59.105 59.564 -0.459 1
1 342 . 3 1 1 A 26 26 GLU CB C 26 29.025 29.312 -0.287 1
1 344 . 3 1 1 A 26 26 GLU N N 26 119.262 118.772 0.490 1
1 345 . 3 1 1 A 27 27 HIS H H 27 7.815 8.069 -0.254 1
1 346 . 3 1 1 A 27 27 HIS HA H 27 4.183 4.160 0.023 1
1 349 . 3 1 1 A 27 27 HIS C C 27 175.618 176.566 -0.948 1
1 350 . 3 1 1 A 27 27 HIS CA C 27 58.932 59.546 -0.614 1
1 351 . 3 1 1 A 27 27 HIS CB C 27 29.358 30.190 -0.832 1
1 352 . 3 1 1 A 27 27 HIS N N 27 114.100 119.696 -5.596 1
1 353 . 3 1 1 A 28 28 TYR H H 28 8.628 8.130 0.498 1
1 354 . 3 1 1 A 28 28 TYR HA H 28 4.424 4.133 0.291 1
1 361 . 3 1 1 A 28 28 TYR C C 28 177.445 176.477 0.968 1
1 362 . 3 1 1 A 28 28 TYR CA C 28 60.294 60.798 -0.504 1
1 363 . 3 1 1 A 28 28 TYR CB C 28 40.851 38.906 1.945 1
1 368 . 3 1 1 A 28 28 TYR N N 28 113.706 115.140 -1.434 1
1 369 . 3 1 1 A 29 29 GLY H H 29 7.713 7.687 0.026 1
1 370 . 3 1 1 A 29 29 GLY HA2 H 29 4.366 3.912 0.454 1
1 371 . 3 1 1 A 29 29 GLY HA3 H 29 3.846 4.046 -0.200 1
1 372 . 3 1 1 A 29 29 GLY C C 29 172.549 175.169 -2.620 1
1 373 . 3 1 1 A 29 29 GLY CA C 29 44.258 44.427 -0.169 1
1 374 . 3 1 1 A 29 29 GLY N N 29 107.840 105.401 2.439 1
1 375 . 3 1 1 A 30 30 TRP H H 30 7.960 8.617 -0.657 1
1 376 . 3 1 1 A 30 30 TRP HA H 30 4.136 4.181 -0.045 1
1 385 . 3 1 1 A 30 30 TRP C C 30 178.090 178.677 -0.587 1
1 386 . 3 1 1 A 30 30 TRP CA C 30 60.502 59.743 0.759 1
1 387 . 3 1 1 A 30 30 TRP CB C 30 30.304 29.022 1.282 1
1 393 . 3 1 1 A 30 30 TRP N N 30 118.175 122.478 -4.303 1
1 395 . 3 1 1 A 31 31 GLU H H 31 8.549 8.442 0.107 1
1 396 . 3 1 1 A 31 31 GLU HA H 31 3.992 4.034 -0.042 1
1 401 . 3 1 1 A 31 31 GLU C C 31 179.942 179.644 0.298 1
1 402 . 3 1 1 A 31 31 GLU CA C 31 60.090 59.769 0.321 1
1 403 . 3 1 1 A 31 31 GLU CB C 31 28.474 28.906 -0.432 1
1 405 . 3 1 1 A 31 31 GLU N N 31 118.099 119.230 -1.131 1
1 406 . 3 1 1 A 32 32 GLU H H 32 8.962 8.222 0.740 1
1 407 . 3 1 1 A 32 32 GLU HA H 32 4.137 4.136 0.001 1
1 412 . 3 1 1 A 32 32 GLU C C 32 179.651 180.012 -0.361 1
1 413 . 3 1 1 A 32 32 GLU CA C 32 58.745 59.323 -0.578 1
1 414 . 3 1 1 A 32 32 GLU CB C 32 28.145 29.580 -1.435 1
1 416 . 3 1 1 A 32 32 GLU N N 32 120.094 119.994 0.100 1
1 417 . 3 1 1 A 33 33 LEU H H 33 7.748 8.505 -0.757 1
1 418 . 3 1 1 A 33 33 LEU HA H 33 3.922 3.914 0.008 1
1 428 . 3 1 1 A 33 33 LEU C C 33 178.833 179.583 -0.750 1
1 429 . 3 1 1 A 33 33 LEU CA C 33 58.577 57.715 0.862 1
1 430 . 3 1 1 A 33 33 LEU CB C 33 41.269 40.973 0.296 1
1 434 . 3 1 1 A 33 33 LEU N N 33 118.890 120.370 -1.480 1
1 435 . 3 1 1 A 34 34 SER H H 34 8.607 8.503 0.104 1
1 436 . 3 1 1 A 34 34 SER HA H 34 4.642 4.555 0.087 1
1 439 . 3 1 1 A 34 34 SER C C 34 175.346 176.003 -0.657 1
1 440 . 3 1 1 A 34 34 SER CA C 34 61.247 62.217 -0.970 1
1 441 . 3 1 1 A 34 34 SER CB C 34 63.043 63.400 -0.357 1
1 442 . 3 1 1 A 34 34 SER N N 34 114.464 114.878 -0.414 1
1 443 . 3 1 1 A 35 35 TYR H H 35 7.395 7.979 -0.584 1
1 444 . 3 1 1 A 35 35 TYR HA H 35 4.537 4.285 0.252 1
1 451 . 3 1 1 A 35 35 TYR C C 35 177.940 177.551 0.389 1
1 452 . 3 1 1 A 35 35 TYR CA C 35 58.907 61.522 -2.615 1
1 453 . 3 1 1 A 35 35 TYR CB C 35 37.852 38.734 -0.882 1
1 458 . 3 1 1 A 35 35 TYR N N 35 120.804 123.933 -3.129 1
1 459 . 3 1 1 A 36 36 MET H H 36 7.840 8.560 -0.720 1
1 460 . 3 1 1 A 36 36 MET HA H 36 4.158 4.292 -0.134 1
1 468 . 3 1 1 A 36 36 MET C C 36 177.049 176.376 0.673 1
1 469 . 3 1 1 A 36 36 MET CA C 36 58.684 58.848 -0.164 1
1 470 . 3 1 1 A 36 36 MET CB C 36 34.927 33.785 1.142 1
1 473 . 3 1 1 A 36 36 MET N N 36 118.425 117.560 0.865 1
1 474 . 3 1 1 A 37 37 VAL H H 37 8.469 8.343 0.126 1
1 475 . 3 1 1 A 37 37 VAL HA H 37 4.265 4.277 -0.012 1
1 483 . 3 1 1 A 37 37 VAL C C 37 173.959 175.100 -1.141 1
1 484 . 3 1 1 A 37 37 VAL CA C 37 61.621 61.970 -0.349 1
1 485 . 3 1 1 A 37 37 VAL CB C 37 32.527 31.080 1.447 1
1 488 . 3 1 1 A 37 37 VAL N N 37 117.997 118.421 -0.424 1
1 489 . 3 1 1 A 38 38 ASN H H 38 8.677 9.090 -0.413 1
1 490 . 3 1 1 A 38 38 ASN HA H 38 4.948 5.047 -0.099 1
1 495 . 3 1 1 A 38 38 ASN C C 38 174.710 174.182 0.528 1
1 496 . 3 1 1 A 38 38 ASN CA C 38 53.444 52.713 0.731 1
1 497 . 3 1 1 A 38 38 ASN CB C 38 37.001 37.099 -0.098 1
1 499 . 3 1 1 A 38 38 ASN N N 38 123.121 126.704 -3.583 1
1 501 . 3 1 1 A 39 39 ILE H H 39 7.744 8.207 -0.463 1
1 502 . 3 1 1 A 39 39 ILE HA H 39 4.655 4.729 -0.074 1
1 512 . 3 1 1 A 39 39 ILE C C 39 176.996 176.034 0.962 1
1 513 . 3 1 1 A 39 39 ILE CA C 39 59.201 58.114 1.087 1
1 514 . 3 1 1 A 39 39 ILE CB C 39 40.558 40.889 -0.331 1
1 518 . 3 1 1 A 39 39 ILE N N 39 115.722 121.450 -5.728 1
1 519 . 3 1 1 A 40 40 ASN H H 40 8.881 8.640 0.241 1
1 520 . 3 1 1 A 40 40 ASN HA H 40 4.192 4.242 -0.050 1
1 525 . 3 1 1 A 40 40 ASN C C 40 177.705 176.761 0.944 1
1 526 . 3 1 1 A 40 40 ASN CA C 40 56.883 55.635 1.248 1
1 527 . 3 1 1 A 40 40 ASN CB C 40 38.313 37.926 0.387 1
1 529 . 3 1 1 A 40 40 ASN N N 40 124.600 120.741 3.859 1
1 531 . 3 1 1 A 41 41 CYS H H 41 8.034 7.615 0.419 1
1 532 . 3 1 1 A 41 41 CYS HA H 41 4.373 3.910 0.463 1
1 535 . 3 1 1 A 41 41 CYS C C 41 174.303 176.942 -2.639 1
1 536 . 3 1 1 A 41 41 CYS CA C 41 59.164 63.154 -3.990 1
1 537 . 3 1 1 A 41 41 CYS CB C 41 26.126 26.505 -0.379 1
1 538 . 3 1 1 A 41 41 CYS N N 41 115.097 117.093 -1.996 1
1 539 . 3 1 1 A 42 42 PHE H H 42 7.031 7.340 -0.309 1
1 540 . 3 1 1 A 42 42 PHE HA H 42 4.937 4.300 0.637 1
1 548 . 3 1 1 A 42 42 PHE C C 42 174.437 177.334 -2.897 1
1 549 . 3 1 1 A 42 42 PHE CA C 42 54.439 60.791 -6.352 1
1 550 . 3 1 1 A 42 42 PHE CB C 42 38.059 38.325 -0.266 1
1 556 . 3 1 1 A 42 42 PHE N N 42 117.304 118.076 -0.772 1
1 557 . 3 1 1 A 43 43 LYS H H 43 7.371 7.412 -0.041 1
1 558 . 3 1 1 A 43 43 LYS HA H 43 4.304 4.386 -0.082 1
1 567 . 3 1 1 A 43 43 LYS C C 43 175.800 177.159 -1.359 1
1 568 . 3 1 1 A 43 43 LYS CA C 43 57.474 57.719 -0.245 1
1 569 . 3 1 1 A 43 43 LYS CB C 43 34.978 33.536 1.442 1
1 573 . 3 1 1 A 43 43 LYS N N 43 116.029 117.230 -1.201 1
1 574 . 3 1 1 A 44 44 LYS H H 44 7.593 8.231 -0.638 1
1 575 . 3 1 1 A 44 44 LYS HA H 44 4.302 4.141 0.161 1
1 584 . 3 1 1 A 44 44 LYS C C 44 173.608 176.022 -2.414 1
1 585 . 3 1 1 A 44 44 LYS CA C 44 55.169 56.081 -0.912 1
1 586 . 3 1 1 A 44 44 LYS CB C 44 33.123 33.174 -0.051 1
1 590 . 3 1 1 A 44 44 LYS N N 44 119.851 118.983 0.868 1
1 591 . 3 1 1 A 45 45 ASP H H 45 8.774 8.899 -0.125 1
1 592 . 3 1 1 A 45 45 ASP HA H 45 4.200 4.091 0.109 1
1 595 . 3 1 1 A 45 45 ASP C C 45 172.128 174.572 -2.444 1
1 596 . 3 1 1 A 45 45 ASP CA C 45 53.963 54.571 -0.608 1
1 597 . 3 1 1 A 45 45 ASP CB C 45 40.263 39.269 0.994 1
1 598 . 3 1 1 A 45 45 ASP N N 45 122.276 122.421 -0.145 1
1 599 . 3 1 1 A 46 46 PRO HA H 46 3.930 3.952 -0.022 1
1 606 . 3 1 1 A 46 46 PRO C C 46 176.968 174.807 2.161 1
1 607 . 3 1 1 A 46 46 PRO CA C 46 62.964 62.522 0.442 1
1 608 . 3 1 1 A 46 46 PRO CB C 46 30.892 31.104 -0.212 1
1 611 . 3 1 1 A 47 47 SER H H 47 8.018 8.250 -0.232 1
1 612 . 3 1 1 A 47 47 SER HA H 47 4.676 4.961 -0.285 1
1 615 . 3 1 1 A 47 47 SER C C 47 175.465 174.138 1.327 1
1 616 . 3 1 1 A 47 47 SER CA C 47 57.014 56.572 0.442 1
1 617 . 3 1 1 A 47 47 SER CB C 47 66.436 64.828 1.608 1
1 618 . 3 1 1 A 47 47 SER N N 47 112.273 117.424 -5.151 1
1 619 . 3 1 1 A 48 48 ILE H H 48 9.489 9.140 0.349 1
1 620 . 3 1 1 A 48 48 ILE HA H 48 4.013 4.156 -0.143 1
1 630 . 3 1 1 A 48 48 ILE C C 48 177.681 177.821 -0.140 1
1 631 . 3 1 1 A 48 48 ILE CA C 48 64.456 65.792 -1.336 1
1 632 . 3 1 1 A 48 48 ILE CB C 48 36.382 37.925 -1.543 1
1 636 . 3 1 1 A 48 48 ILE N N 48 126.826 128.055 -1.229 1
1 637 . 3 1 1 A 49 49 LYS H H 49 8.735 8.273 0.462 1
1 638 . 3 1 1 A 49 49 LYS HA H 49 3.984 4.113 -0.129 1
1 647 . 3 1 1 A 49 49 LYS C C 49 179.784 178.756 1.028 1
1 648 . 3 1 1 A 49 49 LYS CA C 49 60.562 58.599 1.963 1
1 649 . 3 1 1 A 49 49 LYS CB C 49 32.533 31.996 0.537 1
1 653 . 3 1 1 A 49 49 LYS N N 49 118.592 120.897 -2.305 1
1 654 . 3 1 1 A 50 50 SER H H 50 8.065 7.795 0.270 1
1 655 . 3 1 1 A 50 50 SER HA H 50 4.270 4.172 0.098 1
1 658 . 3 1 1 A 50 50 SER C C 50 178.135 177.250 0.885 1
1 659 . 3 1 1 A 50 50 SER CA C 50 61.431 61.668 -0.237 1
1 660 . 3 1 1 A 50 50 SER CB C 50 62.672 62.897 -0.225 1
1 661 . 3 1 1 A 50 50 SER N N 50 114.354 115.551 -1.197 1
1 662 . 3 1 1 A 51 51 SER H H 51 8.300 8.164 0.136 1
1 663 . 3 1 1 A 51 51 SER HA H 51 4.681 4.205 0.476 1
1 666 . 3 1 1 A 51 51 SER C C 51 176.245 177.539 -1.294 1
1 667 . 3 1 1 A 51 51 SER CA C 51 63.327 61.572 1.755 1
1 668 . 3 1 1 A 51 51 SER CB C 51 64.340 63.220 1.120 1
1 669 . 3 1 1 A 51 51 SER N N 51 120.855 115.449 5.406 1
1 670 . 3 1 1 A 52 52 LEU H H 52 8.849 8.589 0.260 1
1 671 . 3 1 1 A 52 52 LEU HA H 52 3.902 3.993 -0.091 1
1 681 . 3 1 1 A 52 52 LEU C C 52 178.339 179.456 -1.117 1
1 682 . 3 1 1 A 52 52 LEU CA C 52 58.600 58.099 0.501 1
1 683 . 3 1 1 A 52 52 LEU CB C 52 41.685 41.590 0.095 1
1 687 . 3 1 1 A 52 52 LEU N N 52 122.627 121.820 0.807 1
1 688 . 3 1 1 A 53 53 LYS H H 53 7.268 7.676 -0.408 1
1 689 . 3 1 1 A 53 53 LYS HA H 53 3.957 4.038 -0.081 1
1 698 . 3 1 1 A 53 53 LYS C C 53 178.750 178.595 0.155 1
1 699 . 3 1 1 A 53 53 LYS CA C 53 59.867 58.701 1.166 1
1 700 . 3 1 1 A 53 53 LYS CB C 53 32.475 32.278 0.197 1
1 704 . 3 1 1 A 53 53 LYS N N 53 117.100 117.797 -0.697 1
1 705 . 3 1 1 A 54 54 PHE H H 54 7.388 8.248 -0.860 1
1 706 . 3 1 1 A 54 54 PHE HA H 54 4.167 4.132 0.035 1
1 714 . 3 1 1 A 54 54 PHE C C 54 178.975 177.220 1.755 1
1 715 . 3 1 1 A 54 54 PHE CA C 54 61.515 60.847 0.668 1
1 716 . 3 1 1 A 54 54 PHE CB C 54 39.619 39.187 0.432 1
1 722 . 3 1 1 A 54 54 PHE N N 54 117.704 121.836 -4.132 1
1 723 . 3 1 1 A 55 55 LEU H H 55 9.142 8.087 1.055 1
1 724 . 3 1 1 A 55 55 LEU HA H 55 3.720 4.041 -0.321 1
1 734 . 3 1 1 A 55 55 LEU C C 55 178.763 177.241 1.522 1
1 735 . 3 1 1 A 55 55 LEU CA C 55 57.656 56.440 1.216 1
1 736 . 3 1 1 A 55 55 LEU CB C 55 42.837 41.692 1.145 1
1 740 . 3 1 1 A 55 55 LEU N N 55 120.396 118.831 1.565 1
1 741 . 3 1 1 A 56 56 ARG H H 56 8.338 7.747 0.591 1
1 742 . 3 1 1 A 56 56 ARG HA H 56 3.855 4.524 -0.669 1
1 750 . 3 1 1 A 56 56 ARG C C 56 176.697 176.483 0.214 1
1 751 . 3 1 1 A 56 56 ARG CA C 56 59.452 55.587 3.865 1
1 752 . 3 1 1 A 56 56 ARG CB C 56 30.239 30.183 0.056 1
1 755 . 3 1 1 A 56 56 ARG N N 56 116.866 117.529 -0.663 1
1 757 . 3 1 1 A 57 57 LYS H H 57 6.770 7.565 -0.795 1
1 758 . 3 1 1 A 57 57 LYS HA H 57 4.542 4.254 0.288 1
1 767 . 3 1 1 A 57 57 LYS C C 57 176.148 175.759 0.389 1
1 768 . 3 1 1 A 57 57 LYS CA C 57 55.545 57.017 -1.472 1
1 769 . 3 1 1 A 57 57 LYS CB C 57 33.805 34.596 -0.791 1
1 773 . 3 1 1 A 57 57 LYS N N 57 113.205 116.382 -3.177 1
1 774 . 3 1 1 A 58 58 THR H H 58 6.908 7.682 -0.774 1
1 775 . 3 1 1 A 58 58 THR HA H 58 4.212 4.139 0.073 1
1 780 . 3 1 1 A 58 58 THR C C 58 173.643 173.953 -0.310 1
1 781 . 3 1 1 A 58 58 THR CA C 58 60.688 62.764 -2.076 1
1 782 . 3 1 1 A 58 58 THR CB C 58 67.557 68.581 -1.024 1
1 784 . 3 1 1 A 58 58 THR N N 58 117.915 113.710 4.205 1
1 785 . 3 1 1 A 59 59 ASP H H 59 8.789 8.992 -0.203 1
1 786 . 3 1 1 A 59 59 ASP HA H 59 4.128 4.231 -0.103 1
1 789 . 3 1 1 A 59 59 ASP C C 59 178.565 177.994 0.571 1
1 790 . 3 1 1 A 59 59 ASP CA C 59 58.506 57.279 1.227 1
1 791 . 3 1 1 A 59 59 ASP CB C 59 39.530 40.859 -1.329 1
1 792 . 3 1 1 A 59 59 ASP N N 59 128.511 126.780 1.731 1
1 793 . 3 1 1 A 60 60 TRP H H 60 8.638 8.159 0.479 1
1 794 . 3 1 1 A 60 60 TRP HA H 60 4.375 4.548 -0.173 1
1 803 . 3 1 1 A 60 60 TRP C C 60 178.277 178.531 -0.254 1
1 804 . 3 1 1 A 60 60 TRP CA C 60 59.183 59.567 -0.384 1
1 805 . 3 1 1 A 60 60 TRP CB C 60 26.962 27.820 -0.858 1
1 811 . 3 1 1 A 60 60 TRP N N 60 117.515 119.324 -1.809 1
1 813 . 3 1 1 A 61 61 ALA H H 61 5.533 7.674 -2.141 1
1 814 . 3 1 1 A 61 61 ALA HA H 61 3.414 4.026 -0.612 1
1 818 . 3 1 1 A 61 61 ALA C C 61 177.616 179.664 -2.048 1
1 819 . 3 1 1 A 61 61 ALA CA C 61 54.478 55.165 -0.687 1
1 820 . 3 1 1 A 61 61 ALA CB C 61 17.904 17.915 -0.011 1
1 821 . 3 1 1 A 61 61 ALA N N 61 125.465 124.007 1.458 1
1 822 . 3 1 1 A 62 62 ARG H H 62 7.811 7.795 0.016 1
1 823 . 3 1 1 A 62 62 ARG HA H 62 3.617 3.990 -0.373 1
1 831 . 3 1 1 A 62 62 ARG C C 62 177.918 178.551 -0.633 1
1 832 . 3 1 1 A 62 62 ARG CA C 62 60.708 59.772 0.936 1
1 833 . 3 1 1 A 62 62 ARG CB C 62 29.156 30.120 -0.964 1
1 836 . 3 1 1 A 62 62 ARG N N 62 120.420 117.734 2.686 1
1 838 . 3 1 1 A 63 63 GLU H H 63 8.412 8.250 0.162 1
1 839 . 3 1 1 A 63 63 GLU HA H 63 4.041 4.134 -0.093 1
1 844 . 3 1 1 A 63 63 GLU C C 63 178.935 178.729 0.206 1
1 845 . 3 1 1 A 63 63 GLU CA C 63 59.509 59.437 0.072 1
1 846 . 3 1 1 A 63 63 GLU CB C 63 28.759 29.382 -0.623 1
1 848 . 3 1 1 A 63 63 GLU N N 63 117.144 118.085 -0.941 1
1 849 . 3 1 1 A 64 64 ARG H H 64 7.603 7.966 -0.363 1
1 850 . 3 1 1 A 64 64 ARG HA H 64 4.256 4.118 0.138 1
1 858 . 3 1 1 A 64 64 ARG C C 64 179.133 178.790 0.343 1
1 859 . 3 1 1 A 64 64 ARG CA C 64 59.340 59.547 -0.207 1
1 860 . 3 1 1 A 64 64 ARG CB C 64 30.067 30.907 -0.840 1
1 863 . 3 1 1 A 64 64 ARG N N 64 118.298 119.704 -1.406 1
1 865 . 3 1 1 A 65 65 VAL H H 65 8.065 7.929 0.136 1
1 866 . 3 1 1 A 65 65 VAL HA H 65 3.713 3.536 0.177 1
1 874 . 3 1 1 A 65 65 VAL C C 65 177.638 177.832 -0.194 1
1 875 . 3 1 1 A 65 65 VAL CA C 65 66.891 66.569 0.322 1
1 876 . 3 1 1 A 65 65 VAL CB C 65 31.480 31.676 -0.196 1
1 879 . 3 1 1 A 65 65 VAL N N 65 117.270 120.149 -2.879 1
1 880 . 3 1 1 A 66 66 GLU H H 66 8.583 8.751 -0.168 1
1 881 . 3 1 1 A 66 66 GLU HA H 66 3.912 4.027 -0.115 1
1 886 . 3 1 1 A 66 66 GLU C C 66 178.380 179.592 -1.212 1
1 887 . 3 1 1 A 66 66 GLU CA C 66 60.256 59.647 0.609 1
1 888 . 3 1 1 A 66 66 GLU CB C 66 28.691 29.101 -0.410 1
1 890 . 3 1 1 A 66 66 GLU N N 66 119.924 118.979 0.945 1
1 891 . 3 1 1 A 67 67 ASN H H 67 8.267 8.129 0.138 1
1 892 . 3 1 1 A 67 67 ASN HA H 67 4.567 4.558 0.009 1
1 897 . 3 1 1 A 67 67 ASN C C 67 178.338 177.903 0.435 1
1 898 . 3 1 1 A 67 67 ASN CA C 67 56.900 56.593 0.307 1
1 899 . 3 1 1 A 67 67 ASN CB C 67 38.802 38.953 -0.151 1
1 901 . 3 1 1 A 67 67 ASN N N 67 117.574 117.830 -0.256 1
1 903 . 3 1 1 A 68 68 ILE H H 68 8.132 7.727 0.405 1
1 904 . 3 1 1 A 68 68 ILE HA H 68 3.726 3.615 0.111 1
1 914 . 3 1 1 A 68 68 ILE C C 68 178.722 178.037 0.685 1
1 915 . 3 1 1 A 68 68 ILE CA C 68 65.388 65.303 0.085 1
1 916 . 3 1 1 A 68 68 ILE CB C 68 37.841 37.535 0.306 1
1 920 . 3 1 1 A 68 68 ILE N N 68 121.125 119.324 1.801 1
1 921 . 3 1 1 A 69 69 TYR H H 69 8.146 8.195 -0.049 1
1 922 . 3 1 1 A 69 69 TYR HA H 69 4.058 4.156 -0.098 1
1 929 . 3 1 1 A 69 69 TYR C C 69 177.061 177.368 -0.307 1
1 930 . 3 1 1 A 69 69 TYR CA C 69 62.828 61.501 1.327 1
1 931 . 3 1 1 A 69 69 TYR CB C 69 38.747 38.941 -0.194 1
1 936 . 3 1 1 A 69 69 TYR N N 69 121.378 121.519 -0.141 1
1 937 . 3 1 1 A 70 70 LEU H H 70 8.630 8.610 0.020 1
1 938 . 3 1 1 A 70 70 LEU HA H 70 3.875 3.742 0.133 1
1 948 . 3 1 1 A 70 70 LEU C C 70 179.755 179.084 0.671 1
1 949 . 3 1 1 A 70 70 LEU CA C 70 58.230 58.059 0.171 1
1 950 . 3 1 1 A 70 70 LEU CB C 70 41.733 41.584 0.149 1
1 954 . 3 1 1 A 70 70 LEU N N 70 120.179 119.766 0.413 1
1 955 . 3 1 1 A 71 71 LYS H H 71 7.950 8.321 -0.371 1
1 956 . 3 1 1 A 71 71 LYS HA H 71 3.957 3.978 -0.021 1
1 965 . 3 1 1 A 71 71 LYS C C 71 178.961 178.643 0.318 1
1 966 . 3 1 1 A 71 71 LYS CA C 71 59.684 60.316 -0.632 1
1 967 . 3 1 1 A 71 71 LYS CB C 71 32.421 31.951 0.470 1
1 971 . 3 1 1 A 71 71 LYS N N 71 118.820 119.872 -1.052 1
1 972 . 3 1 1 A 72 72 LEU H H 72 7.731 8.155 -0.424 1
1 973 . 3 1 1 A 72 72 LEU HA H 72 4.037 4.002 0.035 1
1 983 . 3 1 1 A 72 72 LEU C C 72 178.533 178.498 0.035 1
1 984 . 3 1 1 A 72 72 LEU CA C 72 57.352 58.083 -0.731 1
1 985 . 3 1 1 A 72 72 LEU CB C 72 41.406 41.366 0.040 1
1 989 . 3 1 1 A 72 72 LEU N N 72 121.367 120.608 0.759 1
1 990 . 3 1 1 A 73 73 GLN H H 73 7.884 7.806 0.078 1
1 991 . 3 1 1 A 73 73 GLN HA H 73 3.852 3.935 -0.083 1
1 998 . 3 1 1 A 73 73 GLN C C 73 177.679 178.741 -1.062 1
1 999 . 3 1 1 A 73 73 GLN CA C 73 57.026 59.067 -2.041 1
1 1000 . 3 1 1 A 73 73 GLN CB C 73 28.148 27.681 0.467 1
1 1003 . 3 1 1 A 73 73 GLN N N 73 116.639 117.626 -0.987 1
1 1005 . 3 1 1 A 74 74 ARG H H 74 7.725 7.405 0.320 1
1 1006 . 3 1 1 A 74 74 ARG HA H 74 4.136 4.024 0.112 1
1 1013 . 3 1 1 A 74 74 ARG C C 74 177.235 179.054 -1.819 1
1 1014 . 3 1 1 A 74 74 ARG CA C 74 57.452 59.140 -1.688 1
1 1015 . 3 1 1 A 74 74 ARG CB C 74 30.308 30.484 -0.176 1
1 1018 . 3 1 1 A 74 74 ARG N N 74 118.122 119.823 -1.701 1
1 1019 . 3 1 1 A 75 75 HIS H H 75 7.982 8.025 -0.043 1
1 1020 . 3 1 1 A 75 75 HIS HA H 75 4.564 4.233 0.331 1
1 1023 . 3 1 1 A 75 75 HIS C C 75 175.202 175.522 -0.320 1
1 1024 . 3 1 1 A 75 75 HIS CA C 75 56.587 57.992 -1.405 1
1 1025 . 3 1 1 A 75 75 HIS CB C 75 28.477 30.696 -2.219 1
1 1026 . 3 1 1 A 75 75 HIS N N 75 117.995 120.025 -2.030 1
1 1027 . 3 1 1 A 76 76 LYS H H 76 8.180 7.718 0.462 1
1 1028 . 3 1 1 A 76 76 LYS HA H 76 4.148 4.102 0.046 1
1 1037 . 3 1 1 A 76 76 LYS C C 76 177.303 176.119 1.184 1
1 1038 . 3 1 1 A 76 76 LYS CA C 76 57.550 56.781 0.769 1
1 1039 . 3 1 1 A 76 76 LYS CB C 76 32.789 33.062 -0.273 1
1 1043 . 3 1 1 A 76 76 LYS N N 76 121.510 119.360 2.150 1
1 1044 . 3 1 1 A 77 77 GLU H H 77 8.321 8.478 -0.157 1
1 1045 . 3 1 1 A 77 77 GLU HA H 77 4.224 4.272 -0.048 1
1 1050 . 3 1 1 A 77 77 GLU C C 77 177.067 176.725 0.342 1
1 1051 . 3 1 1 A 77 77 GLU CA C 77 56.991 57.301 -0.310 1
1 1052 . 3 1 1 A 77 77 GLU CB C 77 29.841 30.372 -0.531 1
1 1054 . 3 1 1 A 77 77 GLU N N 77 120.860 126.714 -5.854 1
1 1055 . 3 1 1 A 78 78 ARG H H 78 8.228 8.857 -0.629 1
1 1056 . 3 1 1 A 78 78 ARG HA H 78 4.240 5.129 -0.889 1
1 1063 . 3 1 1 A 78 78 ARG C C 78 176.577 174.551 2.026 1
1 1064 . 3 1 1 A 78 78 ARG CA C 78 56.786 54.386 2.400 1
1 1065 . 3 1 1 A 78 78 ARG CB C 78 30.413 33.877 -3.464 1
1 1068 . 3 1 1 A 78 78 ARG N N 78 121.081 120.768 0.313 1
1 1069 . 3 1 1 A 79 79 ASN H H 79 8.333 8.804 -0.471 1
1 1070 . 3 1 1 A 79 79 ASN HA H 79 4.617 5.170 -0.553 1
1 1075 . 3 1 1 A 79 79 ASN C C 79 175.605 173.172 2.433 1
1 1076 . 3 1 1 A 79 79 ASN CA C 79 53.938 52.962 0.976 1
1 1077 . 3 1 1 A 79 79 ASN CB C 79 38.748 40.830 -2.082 1
1 1079 . 3 1 1 A 79 79 ASN N N 79 118.880 119.264 -0.384 1
1 1081 . 3 1 1 A 80 80 GLN H H 80 8.285 9.223 -0.938 1
1 1082 . 3 1 1 A 80 80 GLN HA H 80 4.253 5.035 -0.782 1
1 1089 . 3 1 1 A 80 80 GLN C C 80 176.304 174.645 1.659 1
1 1090 . 3 1 1 A 80 80 GLN CA C 80 56.545 54.252 2.293 1
1 1091 . 3 1 1 A 80 80 GLN CB C 80 29.274 31.134 -1.860 1
1 1094 . 3 1 1 A 80 80 GLN N N 80 120.222 127.419 -7.197 1
1 1096 . 3 1 1 A 81 81 LEU H H 81 8.130 9.005 -0.875 1
1 1097 . 3 1 1 A 81 81 LEU HA H 81 4.222 5.310 -1.088 1
1 1107 . 3 1 1 A 81 81 LEU C C 81 177.542 175.724 1.818 1
1 1108 . 3 1 1 A 81 81 LEU CA C 81 55.736 52.526 3.210 1
1 1109 . 3 1 1 A 81 81 LEU CB C 81 42.196 46.076 -3.880 1
1 1113 . 3 1 1 A 81 81 LEU N N 81 122.119 122.732 -0.613 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.081 4.321 -0.240 1
1 5 . 4 1 1 A 2 2 ALA C C 2 173.423 177.280 -3.857 1
1 6 . 4 1 1 A 2 2 ALA CA C 2 51.798 51.792 0.006 1
1 7 . 4 1 1 A 2 2 ALA CB C 2 19.502 18.026 1.476 1
1 8 . 4 1 1 A 3 3 LEU H H 3 8.547 8.221 0.326 1
1 9 . 4 1 1 A 3 3 LEU HA H 3 4.394 4.723 -0.329 1
1 19 . 4 1 1 A 3 3 LEU C C 3 176.779 176.816 -0.037 1
1 20 . 4 1 1 A 3 3 LEU CA C 3 55.226 54.346 0.880 1
1 21 . 4 1 1 A 3 3 LEU CB C 3 42.472 43.183 -0.711 1
1 25 . 4 1 1 A 3 3 LEU N N 3 122.089 123.554 -1.465 1
1 26 . 4 1 1 A 4 4 ILE H H 4 8.319 7.412 0.907 1
1 27 . 4 1 1 A 4 4 ILE HA H 4 4.167 4.353 -0.186 1
1 37 . 4 1 1 A 4 4 ILE C C 4 176.138 175.693 0.445 1
1 38 . 4 1 1 A 4 4 ILE CA C 4 60.894 61.095 -0.201 1
1 39 . 4 1 1 A 4 4 ILE CB C 4 38.595 35.941 2.654 1
1 43 . 4 1 1 A 4 4 ILE N N 4 123.468 121.071 2.397 1
1 44 . 4 1 1 A 5 5 MET H H 5 8.574 8.383 0.191 1
1 45 . 4 1 1 A 5 5 MET HA H 5 4.584 4.857 -0.273 1
1 50 . 4 1 1 A 5 5 MET C C 5 176.274 175.136 1.138 1
1 51 . 4 1 1 A 5 5 MET CA C 5 55.348 54.949 0.399 1
1 52 . 4 1 1 A 5 5 MET CB C 5 32.961 34.039 -1.078 1
1 54 . 4 1 1 A 5 5 MET N N 5 125.527 126.247 -0.720 1
1 55 . 4 1 1 A 6 6 THR H H 6 8.172 7.682 0.490 1
1 56 . 4 1 1 A 6 6 THR HA H 6 4.331 4.395 -0.064 1
1 61 . 4 1 1 A 6 6 THR C C 6 174.578 173.944 0.634 1
1 62 . 4 1 1 A 6 6 THR CA C 6 61.849 62.677 -0.828 1
1 63 . 4 1 1 A 6 6 THR CB C 6 69.904 69.701 0.203 1
1 65 . 4 1 1 A 6 6 THR N N 6 115.487 116.555 -1.068 1
1 66 . 4 1 1 A 7 7 GLN H H 7 8.461 8.559 -0.098 1
1 67 . 4 1 1 A 7 7 GLN HA H 7 4.317 4.620 -0.303 1
1 74 . 4 1 1 A 7 7 GLN C C 7 176.108 174.574 1.534 1
1 75 . 4 1 1 A 7 7 GLN CA C 7 56.149 55.559 0.590 1
1 76 . 4 1 1 A 7 7 GLN CB C 7 29.491 29.417 0.074 1
1 79 . 4 1 1 A 7 7 GLN N N 7 122.199 127.115 -4.916 1
1 81 . 4 1 1 A 8 8 GLN H H 8 8.418 8.732 -0.314 1
1 82 . 4 1 1 A 8 8 GLN HA H 8 4.219 4.574 -0.355 1
1 89 . 4 1 1 A 8 8 GLN C C 8 175.704 175.948 -0.244 1
1 90 . 4 1 1 A 8 8 GLN CA C 8 56.112 55.112 1.000 1
1 91 . 4 1 1 A 8 8 GLN CB C 8 29.435 30.265 -0.830 1
1 94 . 4 1 1 A 8 8 GLN N N 8 121.100 123.237 -2.137 1
1 96 . 4 1 1 A 9 9 ASN H H 9 8.404 8.928 -0.524 1
1 97 . 4 1 1 A 9 9 ASN HA H 9 4.654 4.702 -0.048 1
1 102 . 4 1 1 A 9 9 ASN C C 9 174.445 173.504 0.941 1
1 103 . 4 1 1 A 9 9 ASN CA C 9 53.190 53.824 -0.634 1
1 104 . 4 1 1 A 9 9 ASN CB C 9 38.913 37.584 1.329 1
1 106 . 4 1 1 A 9 9 ASN N N 9 119.104 120.475 -1.371 1
1 108 . 4 1 1 A 10 10 ASN H H 10 8.306 9.044 -0.738 1
1 109 . 4 1 1 A 10 10 ASN HA H 10 4.964 5.192 -0.228 1
1 114 . 4 1 1 A 10 10 ASN C C 10 174.315 175.297 -0.982 1
1 115 . 4 1 1 A 10 10 ASN CA C 10 51.318 49.964 1.354 1
1 116 . 4 1 1 A 10 10 ASN CB C 10 38.992 41.292 -2.300 1
1 118 . 4 1 1 A 10 10 ASN N N 10 119.847 122.015 -2.168 1
1 120 . 4 1 1 A 11 11 PRO HA H 11 4.427 4.454 -0.027 1
1 127 . 4 1 1 A 11 11 PRO C C 11 177.095 177.696 -0.601 1
1 128 . 4 1 1 A 11 11 PRO CA C 11 64.214 64.802 -0.588 1
1 129 . 4 1 1 A 11 11 PRO CB C 11 32.355 31.933 0.422 1
1 132 . 4 1 1 A 12 12 LEU H H 12 8.102 8.129 -0.027 1
1 133 . 4 1 1 A 12 12 LEU HA H 12 4.320 4.480 -0.160 1
1 143 . 4 1 1 A 12 12 LEU C C 12 177.341 176.488 0.853 1
1 144 . 4 1 1 A 12 12 LEU CA C 12 54.883 54.320 0.563 1
1 145 . 4 1 1 A 12 12 LEU CB C 12 41.300 41.609 -0.309 1
1 149 . 4 1 1 A 12 12 LEU N N 12 117.525 117.298 0.227 1
1 150 . 4 1 1 A 13 13 HIS H H 13 8.004 7.413 0.591 1
1 151 . 4 1 1 A 13 13 HIS HA H 13 4.453 4.410 0.043 1
1 154 . 4 1 1 A 13 13 HIS C C 13 175.375 176.058 -0.683 1
1 155 . 4 1 1 A 13 13 HIS CA C 13 56.796 56.434 0.362 1
1 156 . 4 1 1 A 13 13 HIS CB C 13 28.248 29.327 -1.079 1
1 157 . 4 1 1 A 13 13 HIS N N 13 117.833 122.345 -4.512 1
1 158 . 4 1 1 A 14 14 GLY H H 14 8.530 8.586 -0.056 1
1 159 . 4 1 1 A 14 14 GLY HA2 H 14 3.930 3.601 0.329 1
1 160 . 4 1 1 A 14 14 GLY HA3 H 14 3.755 3.722 0.033 1
1 161 . 4 1 1 A 14 14 GLY C C 14 173.536 173.426 0.110 1
1 162 . 4 1 1 A 14 14 GLY CA C 14 45.529 45.931 -0.402 1
1 163 . 4 1 1 A 14 14 GLY N N 14 110.385 113.178 -2.793 1
1 164 . 4 1 1 A 15 15 ILE H H 15 7.563 7.638 -0.075 1
1 165 . 4 1 1 A 15 15 ILE HA H 15 4.392 4.656 -0.264 1
1 175 . 4 1 1 A 15 15 ILE C C 15 174.878 175.132 -0.254 1
1 176 . 4 1 1 A 15 15 ILE CA C 15 60.102 59.445 0.657 1
1 177 . 4 1 1 A 15 15 ILE CB C 15 39.383 42.397 -3.014 1
1 181 . 4 1 1 A 15 15 ILE N N 15 120.363 120.461 -0.098 1
1 182 . 4 1 1 A 16 16 THR H H 16 7.643 8.368 -0.725 1
1 183 . 4 1 1 A 16 16 THR HA H 16 4.381 4.814 -0.433 1
1 188 . 4 1 1 A 16 16 THR C C 16 174.950 175.502 -0.552 1
1 189 . 4 1 1 A 16 16 THR CA C 16 60.355 59.579 0.776 1
1 190 . 4 1 1 A 16 16 THR CB C 16 70.834 71.987 -1.153 1
1 192 . 4 1 1 A 16 16 THR N N 16 115.980 115.392 0.588 1
1 193 . 4 1 1 A 17 17 LEU H H 17 8.712 8.746 -0.034 1
1 194 . 4 1 1 A 17 17 LEU HA H 17 4.029 3.981 0.048 1
1 204 . 4 1 1 A 17 17 LEU C C 17 178.125 177.902 0.223 1
1 205 . 4 1 1 A 17 17 LEU CA C 17 57.582 58.640 -1.058 1
1 206 . 4 1 1 A 17 17 LEU CB C 17 40.906 41.577 -0.671 1
1 210 . 4 1 1 A 17 17 LEU N N 17 123.337 123.602 -0.265 1
1 211 . 4 1 1 A 18 18 GLN H H 18 8.611 8.194 0.417 1
1 212 . 4 1 1 A 18 18 GLN HA H 18 3.774 3.996 -0.222 1
1 219 . 4 1 1 A 18 18 GLN C C 18 178.211 178.546 -0.335 1
1 220 . 4 1 1 A 18 18 GLN CA C 18 60.388 59.046 1.342 1
1 221 . 4 1 1 A 18 18 GLN CB C 18 27.809 29.086 -1.277 1
1 224 . 4 1 1 A 18 18 GLN N N 18 116.423 118.319 -1.896 1
1 226 . 4 1 1 A 19 19 LYS H H 19 7.861 7.847 0.014 1
1 227 . 4 1 1 A 19 19 LYS HA H 19 3.957 4.159 -0.202 1
1 236 . 4 1 1 A 19 19 LYS C C 19 177.806 178.875 -1.069 1
1 237 . 4 1 1 A 19 19 LYS CA C 19 59.684 58.812 0.872 1
1 238 . 4 1 1 A 19 19 LYS CB C 19 32.300 32.052 0.248 1
1 242 . 4 1 1 A 19 19 LYS N N 19 123.583 119.660 3.923 1
1 243 . 4 1 1 A 20 20 LEU H H 20 8.223 8.189 0.034 1
1 244 . 4 1 1 A 20 20 LEU HA H 20 3.418 3.724 -0.306 1
1 254 . 4 1 1 A 20 20 LEU C C 20 178.417 178.290 0.127 1
1 255 . 4 1 1 A 20 20 LEU CA C 20 59.301 58.115 1.186 1
1 256 . 4 1 1 A 20 20 LEU CB C 20 41.370 41.671 -0.301 1
1 260 . 4 1 1 A 20 20 LEU N N 20 121.397 120.916 0.481 1
1 261 . 4 1 1 A 21 21 LEU H H 21 8.649 8.325 0.324 1
1 262 . 4 1 1 A 21 21 LEU HA H 21 3.872 3.956 -0.084 1
1 272 . 4 1 1 A 21 21 LEU C C 21 178.009 178.549 -0.540 1
1 273 . 4 1 1 A 21 21 LEU CA C 21 58.027 57.976 0.051 1
1 274 . 4 1 1 A 21 21 LEU CB C 21 42.279 41.432 0.847 1
1 278 . 4 1 1 A 21 21 LEU N N 21 118.999 119.627 -0.628 1
1 279 . 4 1 1 A 22 22 THR H H 22 8.025 8.168 -0.143 1
1 280 . 4 1 1 A 22 22 THR HA H 22 3.592 3.770 -0.178 1
1 285 . 4 1 1 A 22 22 THR C C 22 176.358 175.837 0.521 1
1 286 . 4 1 1 A 22 22 THR CA C 22 67.879 67.155 0.724 1
1 287 . 4 1 1 A 22 22 THR CB C 22 68.717 68.625 0.092 1
1 289 . 4 1 1 A 22 22 THR N N 22 115.015 115.260 -0.245 1
1 290 . 4 1 1 A 23 23 GLU H H 23 8.158 8.435 -0.277 1
1 291 . 4 1 1 A 23 23 GLU HA H 23 4.068 3.978 0.090 1
1 296 . 4 1 1 A 23 23 GLU C C 23 180.091 179.982 0.109 1
1 297 . 4 1 1 A 23 23 GLU CA C 23 59.845 59.347 0.498 1
1 298 . 4 1 1 A 23 23 GLU CB C 23 29.101 29.389 -0.288 1
1 300 . 4 1 1 A 23 23 GLU N N 23 120.691 120.107 0.584 1
1 301 . 4 1 1 A 24 24 LEU H H 24 8.121 8.033 0.088 1
1 302 . 4 1 1 A 24 24 LEU HA H 24 4.140 4.269 -0.129 1
1 312 . 4 1 1 A 24 24 LEU C C 24 179.047 178.881 0.166 1
1 313 . 4 1 1 A 24 24 LEU CA C 24 58.438 57.984 0.454 1
1 314 . 4 1 1 A 24 24 LEU CB C 24 42.715 41.743 0.972 1
1 318 . 4 1 1 A 24 24 LEU N N 24 119.210 120.195 -0.985 1
1 319 . 4 1 1 A 25 25 VAL H H 25 8.577 8.203 0.374 1
1 320 . 4 1 1 A 25 25 VAL HA H 25 2.698 3.120 -0.422 1
1 328 . 4 1 1 A 25 25 VAL C C 25 179.143 178.045 1.098 1
1 329 . 4 1 1 A 25 25 VAL CA C 25 67.077 66.669 0.408 1
1 330 . 4 1 1 A 25 25 VAL CB C 25 31.127 30.937 0.190 1
1 333 . 4 1 1 A 25 25 VAL N N 25 122.036 119.531 2.505 1
1 334 . 4 1 1 A 26 26 GLU H H 26 8.216 8.072 0.144 1
1 335 . 4 1 1 A 26 26 GLU HA H 26 3.858 3.833 0.025 1
1 340 . 4 1 1 A 26 26 GLU C C 26 177.409 178.768 -1.359 1
1 341 . 4 1 1 A 26 26 GLU CA C 26 59.105 59.320 -0.215 1
1 342 . 4 1 1 A 26 26 GLU CB C 26 29.025 29.389 -0.364 1
1 344 . 4 1 1 A 26 26 GLU N N 26 119.262 119.803 -0.541 1
1 345 . 4 1 1 A 27 27 HIS H H 27 7.815 7.884 -0.069 1
1 346 . 4 1 1 A 27 27 HIS HA H 27 4.183 4.163 0.020 1
1 349 . 4 1 1 A 27 27 HIS C C 27 175.618 176.154 -0.536 1
1 350 . 4 1 1 A 27 27 HIS CA C 27 58.932 59.542 -0.610 1
1 351 . 4 1 1 A 27 27 HIS CB C 27 29.358 30.497 -1.139 1
1 352 . 4 1 1 A 27 27 HIS N N 27 114.100 117.882 -3.782 1
1 353 . 4 1 1 A 28 28 TYR H H 28 8.628 8.090 0.538 1
1 354 . 4 1 1 A 28 28 TYR HA H 28 4.424 4.319 0.105 1
1 361 . 4 1 1 A 28 28 TYR C C 28 177.445 176.430 1.015 1
1 362 . 4 1 1 A 28 28 TYR CA C 28 60.294 60.126 0.168 1
1 363 . 4 1 1 A 28 28 TYR CB C 28 40.851 39.312 1.539 1
1 368 . 4 1 1 A 28 28 TYR N N 28 113.706 114.642 -0.936 1
1 369 . 4 1 1 A 29 29 GLY H H 29 7.713 7.648 0.065 1
1 370 . 4 1 1 A 29 29 GLY HA2 H 29 4.366 3.955 0.411 1
1 371 . 4 1 1 A 29 29 GLY HA3 H 29 3.846 4.097 -0.251 1
1 372 . 4 1 1 A 29 29 GLY C C 29 172.549 175.051 -2.502 1
1 373 . 4 1 1 A 29 29 GLY CA C 29 44.258 44.440 -0.182 1
1 374 . 4 1 1 A 29 29 GLY N N 29 107.840 104.747 3.093 1
1 375 . 4 1 1 A 30 30 TRP H H 30 7.960 8.724 -0.764 1
1 376 . 4 1 1 A 30 30 TRP HA H 30 4.136 4.029 0.107 1
1 385 . 4 1 1 A 30 30 TRP C C 30 178.090 178.633 -0.543 1
1 386 . 4 1 1 A 30 30 TRP CA C 30 60.502 59.539 0.963 1
1 387 . 4 1 1 A 30 30 TRP CB C 30 30.304 29.005 1.299 1
1 393 . 4 1 1 A 30 30 TRP N N 30 118.175 122.609 -4.434 1
1 395 . 4 1 1 A 31 31 GLU H H 31 8.549 8.434 0.115 1
1 396 . 4 1 1 A 31 31 GLU HA H 31 3.992 3.954 0.038 1
1 401 . 4 1 1 A 31 31 GLU C C 31 179.942 179.488 0.454 1
1 402 . 4 1 1 A 31 31 GLU CA C 31 60.090 59.973 0.117 1
1 403 . 4 1 1 A 31 31 GLU CB C 31 28.474 29.493 -1.019 1
1 405 . 4 1 1 A 31 31 GLU N N 31 118.099 119.168 -1.069 1
1 406 . 4 1 1 A 32 32 GLU H H 32 8.962 8.181 0.781 1
1 407 . 4 1 1 A 32 32 GLU HA H 32 4.137 4.041 0.096 1
1 412 . 4 1 1 A 32 32 GLU C C 32 179.651 179.259 0.392 1
1 413 . 4 1 1 A 32 32 GLU CA C 32 58.745 59.151 -0.406 1
1 414 . 4 1 1 A 32 32 GLU CB C 32 28.145 29.149 -1.004 1
1 416 . 4 1 1 A 32 32 GLU N N 32 120.094 120.728 -0.634 1
1 417 . 4 1 1 A 33 33 LEU H H 33 7.748 8.335 -0.587 1
1 418 . 4 1 1 A 33 33 LEU HA H 33 3.922 3.868 0.054 1
1 428 . 4 1 1 A 33 33 LEU C C 33 178.833 179.213 -0.380 1
1 429 . 4 1 1 A 33 33 LEU CA C 33 58.577 57.613 0.964 1
1 430 . 4 1 1 A 33 33 LEU CB C 33 41.269 40.988 0.281 1
1 434 . 4 1 1 A 33 33 LEU N N 33 118.890 120.661 -1.771 1
1 435 . 4 1 1 A 34 34 SER H H 34 8.607 8.212 0.395 1
1 436 . 4 1 1 A 34 34 SER HA H 34 4.642 4.710 -0.068 1
1 439 . 4 1 1 A 34 34 SER C C 34 175.346 176.329 -0.983 1
1 440 . 4 1 1 A 34 34 SER CA C 34 61.247 60.990 0.257 1
1 441 . 4 1 1 A 34 34 SER CB C 34 63.043 63.168 -0.125 1
1 442 . 4 1 1 A 34 34 SER N N 34 114.464 112.740 1.724 1
1 443 . 4 1 1 A 35 35 TYR H H 35 7.395 7.799 -0.404 1
1 444 . 4 1 1 A 35 35 TYR HA H 35 4.537 4.206 0.331 1
1 451 . 4 1 1 A 35 35 TYR C C 35 177.940 177.330 0.610 1
1 452 . 4 1 1 A 35 35 TYR CA C 35 58.907 61.085 -2.178 1
1 453 . 4 1 1 A 35 35 TYR CB C 35 37.852 38.708 -0.856 1
1 458 . 4 1 1 A 35 35 TYR N N 35 120.804 123.736 -2.932 1
1 459 . 4 1 1 A 36 36 MET H H 36 7.840 8.547 -0.707 1
1 460 . 4 1 1 A 36 36 MET HA H 36 4.158 4.269 -0.111 1
1 468 . 4 1 1 A 36 36 MET C C 36 177.049 176.210 0.839 1
1 469 . 4 1 1 A 36 36 MET CA C 36 58.684 58.538 0.146 1
1 470 . 4 1 1 A 36 36 MET CB C 36 34.927 32.955 1.972 1
1 473 . 4 1 1 A 36 36 MET N N 36 118.425 117.526 0.899 1
1 474 . 4 1 1 A 37 37 VAL H H 37 8.469 8.272 0.197 1
1 475 . 4 1 1 A 37 37 VAL HA H 37 4.265 4.286 -0.021 1
1 483 . 4 1 1 A 37 37 VAL C C 37 173.959 174.937 -0.978 1
1 484 . 4 1 1 A 37 37 VAL CA C 37 61.621 61.667 -0.046 1
1 485 . 4 1 1 A 37 37 VAL CB C 37 32.527 32.318 0.209 1
1 488 . 4 1 1 A 37 37 VAL N N 37 117.997 118.703 -0.706 1
1 489 . 4 1 1 A 38 38 ASN H H 38 8.677 9.028 -0.351 1
1 490 . 4 1 1 A 38 38 ASN HA H 38 4.948 4.803 0.145 1
1 495 . 4 1 1 A 38 38 ASN C C 38 174.710 174.078 0.632 1
1 496 . 4 1 1 A 38 38 ASN CA C 38 53.444 52.519 0.925 1
1 497 . 4 1 1 A 38 38 ASN CB C 38 37.001 36.943 0.058 1
1 499 . 4 1 1 A 38 38 ASN N N 38 123.121 126.870 -3.749 1
1 501 . 4 1 1 A 39 39 ILE H H 39 7.744 8.370 -0.626 1
1 502 . 4 1 1 A 39 39 ILE HA H 39 4.655 4.839 -0.184 1
1 512 . 4 1 1 A 39 39 ILE C C 39 176.996 175.659 1.337 1
1 513 . 4 1 1 A 39 39 ILE CA C 39 59.201 58.715 0.486 1
1 514 . 4 1 1 A 39 39 ILE CB C 39 40.558 41.468 -0.910 1
1 518 . 4 1 1 A 39 39 ILE N N 39 115.722 120.288 -4.566 1
1 519 . 4 1 1 A 40 40 ASN H H 40 8.881 9.072 -0.191 1
1 520 . 4 1 1 A 40 40 ASN HA H 40 4.192 4.718 -0.526 1
1 525 . 4 1 1 A 40 40 ASN C C 40 177.705 176.545 1.160 1
1 526 . 4 1 1 A 40 40 ASN CA C 40 56.883 53.901 2.982 1
1 527 . 4 1 1 A 40 40 ASN CB C 40 38.313 38.237 0.076 1
1 529 . 4 1 1 A 40 40 ASN N N 40 124.600 122.237 2.363 1
1 531 . 4 1 1 A 41 41 CYS H H 41 8.034 7.662 0.372 1
1 532 . 4 1 1 A 41 41 CYS HA H 41 4.373 3.564 0.809 1
1 535 . 4 1 1 A 41 41 CYS C C 41 174.303 177.184 -2.881 1
1 536 . 4 1 1 A 41 41 CYS CA C 41 59.164 62.761 -3.597 1
1 537 . 4 1 1 A 41 41 CYS CB C 41 26.126 25.590 0.536 1
1 538 . 4 1 1 A 41 41 CYS N N 41 115.097 117.878 -2.781 1
1 539 . 4 1 1 A 42 42 PHE H H 42 7.031 7.651 -0.620 1
1 540 . 4 1 1 A 42 42 PHE HA H 42 4.937 4.494 0.443 1
1 548 . 4 1 1 A 42 42 PHE C C 42 174.437 176.865 -2.428 1
1 549 . 4 1 1 A 42 42 PHE CA C 42 54.439 60.702 -6.263 1
1 550 . 4 1 1 A 42 42 PHE CB C 42 38.059 38.115 -0.056 1
1 556 . 4 1 1 A 42 42 PHE N N 42 117.304 118.544 -1.240 1
1 557 . 4 1 1 A 43 43 LYS H H 43 7.371 7.855 -0.484 1
1 558 . 4 1 1 A 43 43 LYS HA H 43 4.304 4.389 -0.085 1
1 567 . 4 1 1 A 43 43 LYS C C 43 175.800 178.512 -2.712 1
1 568 . 4 1 1 A 43 43 LYS CA C 43 57.474 56.633 0.841 1
1 569 . 4 1 1 A 43 43 LYS CB C 43 34.978 33.069 1.909 1
1 573 . 4 1 1 A 43 43 LYS N N 43 116.029 119.537 -3.508 1
1 574 . 4 1 1 A 44 44 LYS H H 44 7.593 7.862 -0.269 1
1 575 . 4 1 1 A 44 44 LYS HA H 44 4.302 4.078 0.224 1
1 584 . 4 1 1 A 44 44 LYS C C 44 173.608 176.330 -2.722 1
1 585 . 4 1 1 A 44 44 LYS CA C 44 55.169 58.548 -3.379 1
1 586 . 4 1 1 A 44 44 LYS CB C 44 33.123 33.661 -0.538 1
1 590 . 4 1 1 A 44 44 LYS N N 44 119.851 119.132 0.719 1
1 591 . 4 1 1 A 45 45 ASP H H 45 8.774 7.715 1.059 1
1 592 . 4 1 1 A 45 45 ASP HA H 45 4.200 4.918 -0.718 1
1 595 . 4 1 1 A 45 45 ASP C C 45 172.128 174.038 -1.910 1
1 596 . 4 1 1 A 45 45 ASP CA C 45 53.963 51.417 2.546 1
1 597 . 4 1 1 A 45 45 ASP CB C 45 40.263 41.159 -0.896 1
1 598 . 4 1 1 A 45 45 ASP N N 45 122.276 118.493 3.783 1
1 599 . 4 1 1 A 46 46 PRO HA H 46 3.930 4.497 -0.567 1
1 606 . 4 1 1 A 46 46 PRO C C 46 176.968 174.848 2.120 1
1 607 . 4 1 1 A 46 46 PRO CA C 46 62.964 62.087 0.877 1
1 608 . 4 1 1 A 46 46 PRO CB C 46 30.892 29.147 1.745 1
1 611 . 4 1 1 A 47 47 SER H H 47 8.018 8.190 -0.172 1
1 612 . 4 1 1 A 47 47 SER HA H 47 4.676 4.962 -0.286 1
1 615 . 4 1 1 A 47 47 SER C C 47 175.465 174.430 1.035 1
1 616 . 4 1 1 A 47 47 SER CA C 47 57.014 56.748 0.266 1
1 617 . 4 1 1 A 47 47 SER CB C 47 66.436 65.354 1.082 1
1 618 . 4 1 1 A 47 47 SER N N 47 112.273 117.823 -5.550 1
1 619 . 4 1 1 A 48 48 ILE H H 48 9.489 9.123 0.366 1
1 620 . 4 1 1 A 48 48 ILE HA H 48 4.013 4.034 -0.021 1
1 630 . 4 1 1 A 48 48 ILE C C 48 177.681 177.552 0.129 1
1 631 . 4 1 1 A 48 48 ILE CA C 48 64.456 65.859 -1.403 1
1 632 . 4 1 1 A 48 48 ILE CB C 48 36.382 37.895 -1.513 1
1 636 . 4 1 1 A 48 48 ILE N N 48 126.826 127.338 -0.512 1
1 637 . 4 1 1 A 49 49 LYS H H 49 8.735 8.120 0.615 1
1 638 . 4 1 1 A 49 49 LYS HA H 49 3.984 4.106 -0.122 1
1 647 . 4 1 1 A 49 49 LYS C C 49 179.784 179.379 0.405 1
1 648 . 4 1 1 A 49 49 LYS CA C 49 60.562 59.488 1.074 1
1 649 . 4 1 1 A 49 49 LYS CB C 49 32.533 32.220 0.313 1
1 653 . 4 1 1 A 49 49 LYS N N 49 118.592 120.132 -1.540 1
1 654 . 4 1 1 A 50 50 SER H H 50 8.065 8.107 -0.042 1
1 655 . 4 1 1 A 50 50 SER HA H 50 4.270 4.323 -0.053 1
1 658 . 4 1 1 A 50 50 SER C C 50 178.135 175.447 2.688 1
1 659 . 4 1 1 A 50 50 SER CA C 50 61.431 61.426 0.005 1
1 660 . 4 1 1 A 50 50 SER CB C 50 62.672 63.279 -0.607 1
1 661 . 4 1 1 A 50 50 SER N N 50 114.354 116.887 -2.533 1
1 662 . 4 1 1 A 51 51 SER H H 51 8.300 8.170 0.130 1
1 663 . 4 1 1 A 51 51 SER HA H 51 4.681 4.385 0.296 1
1 666 . 4 1 1 A 51 51 SER C C 51 176.245 176.240 0.005 1
1 667 . 4 1 1 A 51 51 SER CA C 51 63.327 62.105 1.222 1
1 668 . 4 1 1 A 51 51 SER CB C 51 64.340 63.633 0.707 1
1 669 . 4 1 1 A 51 51 SER N N 51 120.855 118.831 2.024 1
1 670 . 4 1 1 A 52 52 LEU H H 52 8.849 8.316 0.533 1
1 671 . 4 1 1 A 52 52 LEU HA H 52 3.902 3.958 -0.056 1
1 681 . 4 1 1 A 52 52 LEU C C 52 178.339 179.417 -1.078 1
1 682 . 4 1 1 A 52 52 LEU CA C 52 58.600 58.134 0.466 1
1 683 . 4 1 1 A 52 52 LEU CB C 52 41.685 41.636 0.049 1
1 687 . 4 1 1 A 52 52 LEU N N 52 122.627 120.951 1.676 1
1 688 . 4 1 1 A 53 53 LYS H H 53 7.268 8.300 -1.032 1
1 689 . 4 1 1 A 53 53 LYS HA H 53 3.957 4.125 -0.168 1
1 698 . 4 1 1 A 53 53 LYS C C 53 178.750 178.501 0.249 1
1 699 . 4 1 1 A 53 53 LYS CA C 53 59.867 58.844 1.023 1
1 700 . 4 1 1 A 53 53 LYS CB C 53 32.475 32.281 0.194 1
1 704 . 4 1 1 A 53 53 LYS N N 53 117.100 117.441 -0.341 1
1 705 . 4 1 1 A 54 54 PHE H H 54 7.388 8.250 -0.862 1
1 706 . 4 1 1 A 54 54 PHE HA H 54 4.167 4.102 0.065 1
1 714 . 4 1 1 A 54 54 PHE C C 54 178.975 177.227 1.748 1
1 715 . 4 1 1 A 54 54 PHE CA C 54 61.515 60.987 0.528 1
1 716 . 4 1 1 A 54 54 PHE CB C 54 39.619 39.314 0.305 1
1 722 . 4 1 1 A 54 54 PHE N N 54 117.704 120.576 -2.872 1
1 723 . 4 1 1 A 55 55 LEU H H 55 9.142 8.490 0.652 1
1 724 . 4 1 1 A 55 55 LEU HA H 55 3.720 3.696 0.024 1
1 734 . 4 1 1 A 55 55 LEU C C 55 178.763 179.338 -0.575 1
1 735 . 4 1 1 A 55 55 LEU CA C 55 57.656 57.730 -0.074 1
1 736 . 4 1 1 A 55 55 LEU CB C 55 42.837 41.287 1.550 1
1 740 . 4 1 1 A 55 55 LEU N N 55 120.396 118.846 1.550 1
1 741 . 4 1 1 A 56 56 ARG H H 56 8.338 8.068 0.270 1
1 742 . 4 1 1 A 56 56 ARG HA H 56 3.855 4.031 -0.176 1
1 750 . 4 1 1 A 56 56 ARG C C 56 176.697 178.717 -2.020 1
1 751 . 4 1 1 A 56 56 ARG CA C 56 59.452 58.799 0.653 1
1 752 . 4 1 1 A 56 56 ARG CB C 56 30.239 29.603 0.636 1
1 755 . 4 1 1 A 56 56 ARG N N 56 116.866 119.136 -2.270 1
1 757 . 4 1 1 A 57 57 LYS H H 57 6.770 7.549 -0.779 1
1 758 . 4 1 1 A 57 57 LYS HA H 57 4.542 4.177 0.365 1
1 767 . 4 1 1 A 57 57 LYS C C 57 176.148 177.351 -1.203 1
1 768 . 4 1 1 A 57 57 LYS CA C 57 55.545 58.358 -2.813 1
1 769 . 4 1 1 A 57 57 LYS CB C 57 33.805 32.957 0.848 1
1 773 . 4 1 1 A 57 57 LYS N N 57 113.205 117.525 -4.320 1
1 774 . 4 1 1 A 58 58 THR H H 58 6.908 7.776 -0.868 1
1 775 . 4 1 1 A 58 58 THR HA H 58 4.212 4.223 -0.011 1
1 780 . 4 1 1 A 58 58 THR C C 58 173.643 173.722 -0.079 1
1 781 . 4 1 1 A 58 58 THR CA C 58 60.688 62.110 -1.422 1
1 782 . 4 1 1 A 58 58 THR CB C 58 67.557 67.261 0.296 1
1 784 . 4 1 1 A 58 58 THR N N 58 117.915 113.281 4.634 1
1 785 . 4 1 1 A 59 59 ASP H H 59 8.789 8.552 0.237 1
1 786 . 4 1 1 A 59 59 ASP HA H 59 4.128 4.121 0.007 1
1 789 . 4 1 1 A 59 59 ASP C C 59 178.565 178.667 -0.102 1
1 790 . 4 1 1 A 59 59 ASP CA C 59 58.506 57.799 0.707 1
1 791 . 4 1 1 A 59 59 ASP CB C 59 39.530 40.294 -0.764 1
1 792 . 4 1 1 A 59 59 ASP N N 59 128.511 127.339 1.172 1
1 793 . 4 1 1 A 60 60 TRP H H 60 8.638 8.460 0.178 1
1 794 . 4 1 1 A 60 60 TRP HA H 60 4.375 4.427 -0.052 1
1 803 . 4 1 1 A 60 60 TRP C C 60 178.277 178.751 -0.474 1
1 804 . 4 1 1 A 60 60 TRP CA C 60 59.183 60.438 -1.255 1
1 805 . 4 1 1 A 60 60 TRP CB C 60 26.962 27.988 -1.026 1
1 811 . 4 1 1 A 60 60 TRP N N 60 117.515 119.139 -1.624 1
1 813 . 4 1 1 A 61 61 ALA H H 61 5.533 7.151 -1.618 1
1 814 . 4 1 1 A 61 61 ALA HA H 61 3.414 3.664 -0.250 1
1 818 . 4 1 1 A 61 61 ALA C C 61 177.616 179.210 -1.594 1
1 819 . 4 1 1 A 61 61 ALA CA C 61 54.478 54.961 -0.483 1
1 820 . 4 1 1 A 61 61 ALA CB C 61 17.904 17.380 0.524 1
1 821 . 4 1 1 A 61 61 ALA N N 61 125.465 123.698 1.767 1
1 822 . 4 1 1 A 62 62 ARG H H 62 7.811 7.588 0.223 1
1 823 . 4 1 1 A 62 62 ARG HA H 62 3.617 3.958 -0.341 1
1 831 . 4 1 1 A 62 62 ARG C C 62 177.918 179.272 -1.354 1
1 832 . 4 1 1 A 62 62 ARG CA C 62 60.708 59.538 1.170 1
1 833 . 4 1 1 A 62 62 ARG CB C 62 29.156 29.875 -0.719 1
1 836 . 4 1 1 A 62 62 ARG N N 62 120.420 118.372 2.048 1
1 838 . 4 1 1 A 63 63 GLU H H 63 8.412 8.636 -0.224 1
1 839 . 4 1 1 A 63 63 GLU HA H 63 4.041 4.103 -0.062 1
1 844 . 4 1 1 A 63 63 GLU C C 63 178.935 179.473 -0.538 1
1 845 . 4 1 1 A 63 63 GLU CA C 63 59.509 59.338 0.171 1
1 846 . 4 1 1 A 63 63 GLU CB C 63 28.759 29.319 -0.560 1
1 848 . 4 1 1 A 63 63 GLU N N 63 117.144 117.891 -0.747 1
1 849 . 4 1 1 A 64 64 ARG H H 64 7.603 7.993 -0.390 1
1 850 . 4 1 1 A 64 64 ARG HA H 64 4.256 4.123 0.133 1
1 858 . 4 1 1 A 64 64 ARG C C 64 179.133 178.551 0.582 1
1 859 . 4 1 1 A 64 64 ARG CA C 64 59.340 59.550 -0.210 1
1 860 . 4 1 1 A 64 64 ARG CB C 64 30.067 30.636 -0.569 1
1 863 . 4 1 1 A 64 64 ARG N N 64 118.298 120.777 -2.479 1
1 865 . 4 1 1 A 65 65 VAL H H 65 8.065 8.100 -0.035 1
1 866 . 4 1 1 A 65 65 VAL HA H 65 3.713 3.601 0.112 1
1 874 . 4 1 1 A 65 65 VAL C C 65 177.638 177.858 -0.220 1
1 875 . 4 1 1 A 65 65 VAL CA C 65 66.891 66.583 0.308 1
1 876 . 4 1 1 A 65 65 VAL CB C 65 31.480 31.658 -0.178 1
1 879 . 4 1 1 A 65 65 VAL N N 65 117.270 120.283 -3.013 1
1 880 . 4 1 1 A 66 66 GLU H H 66 8.583 8.893 -0.310 1
1 881 . 4 1 1 A 66 66 GLU HA H 66 3.912 4.027 -0.115 1
1 886 . 4 1 1 A 66 66 GLU C C 66 178.380 179.134 -0.754 1
1 887 . 4 1 1 A 66 66 GLU CA C 66 60.256 59.990 0.266 1
1 888 . 4 1 1 A 66 66 GLU CB C 66 28.691 29.226 -0.535 1
1 890 . 4 1 1 A 66 66 GLU N N 66 119.924 118.935 0.989 1
1 891 . 4 1 1 A 67 67 ASN H H 67 8.267 8.343 -0.076 1
1 892 . 4 1 1 A 67 67 ASN HA H 67 4.567 4.516 0.051 1
1 897 . 4 1 1 A 67 67 ASN C C 67 178.338 177.912 0.426 1
1 898 . 4 1 1 A 67 67 ASN CA C 67 56.900 56.847 0.053 1
1 899 . 4 1 1 A 67 67 ASN CB C 67 38.802 39.712 -0.910 1
1 901 . 4 1 1 A 67 67 ASN N N 67 117.574 118.063 -0.489 1
1 903 . 4 1 1 A 68 68 ILE H H 68 8.132 7.815 0.317 1
1 904 . 4 1 1 A 68 68 ILE HA H 68 3.726 3.628 0.098 1
1 914 . 4 1 1 A 68 68 ILE C C 68 178.722 177.908 0.814 1
1 915 . 4 1 1 A 68 68 ILE CA C 68 65.388 65.480 -0.092 1
1 916 . 4 1 1 A 68 68 ILE CB C 68 37.841 37.694 0.147 1
1 920 . 4 1 1 A 68 68 ILE N N 68 121.125 119.488 1.637 1
1 921 . 4 1 1 A 69 69 TYR H H 69 8.146 8.344 -0.198 1
1 922 . 4 1 1 A 69 69 TYR HA H 69 4.058 4.215 -0.157 1
1 929 . 4 1 1 A 69 69 TYR C C 69 177.061 177.583 -0.522 1
1 930 . 4 1 1 A 69 69 TYR CA C 69 62.828 61.564 1.264 1
1 931 . 4 1 1 A 69 69 TYR CB C 69 38.747 38.813 -0.066 1
1 936 . 4 1 1 A 69 69 TYR N N 69 121.378 121.275 0.103 1
1 937 . 4 1 1 A 70 70 LEU H H 70 8.630 8.352 0.278 1
1 938 . 4 1 1 A 70 70 LEU HA H 70 3.875 3.925 -0.050 1
1 948 . 4 1 1 A 70 70 LEU C C 70 179.755 179.427 0.328 1
1 949 . 4 1 1 A 70 70 LEU CA C 70 58.230 57.724 0.506 1
1 950 . 4 1 1 A 70 70 LEU CB C 70 41.733 40.894 0.839 1
1 954 . 4 1 1 A 70 70 LEU N N 70 120.179 119.440 0.739 1
1 955 . 4 1 1 A 71 71 LYS H H 71 7.950 8.048 -0.098 1
1 956 . 4 1 1 A 71 71 LYS HA H 71 3.957 4.066 -0.109 1
1 965 . 4 1 1 A 71 71 LYS C C 71 178.961 178.941 0.020 1
1 966 . 4 1 1 A 71 71 LYS CA C 71 59.684 59.712 -0.028 1
1 967 . 4 1 1 A 71 71 LYS CB C 71 32.421 32.176 0.245 1
1 971 . 4 1 1 A 71 71 LYS N N 71 118.820 118.953 -0.133 1
1 972 . 4 1 1 A 72 72 LEU H H 72 7.731 7.553 0.178 1
1 973 . 4 1 1 A 72 72 LEU HA H 72 4.037 4.048 -0.011 1
1 983 . 4 1 1 A 72 72 LEU C C 72 178.533 178.528 0.005 1
1 984 . 4 1 1 A 72 72 LEU CA C 72 57.352 57.337 0.015 1
1 985 . 4 1 1 A 72 72 LEU CB C 72 41.406 41.520 -0.114 1
1 989 . 4 1 1 A 72 72 LEU N N 72 121.367 121.846 -0.479 1
1 990 . 4 1 1 A 73 73 GLN H H 73 7.884 8.309 -0.425 1
1 991 . 4 1 1 A 73 73 GLN HA H 73 3.852 3.838 0.014 1
1 998 . 4 1 1 A 73 73 GLN C C 73 177.679 178.921 -1.242 1
1 999 . 4 1 1 A 73 73 GLN CA C 73 57.026 59.210 -2.184 1
1 1000 . 4 1 1 A 73 73 GLN CB C 73 28.148 28.358 -0.210 1
1 1003 . 4 1 1 A 73 73 GLN N N 73 116.639 118.077 -1.438 1
1 1005 . 4 1 1 A 74 74 ARG H H 74 7.725 8.447 -0.722 1
1 1006 . 4 1 1 A 74 74 ARG HA H 74 4.136 4.108 0.028 1
1 1013 . 4 1 1 A 74 74 ARG C C 74 177.235 178.294 -1.059 1
1 1014 . 4 1 1 A 74 74 ARG CA C 74 57.452 58.567 -1.115 1
1 1015 . 4 1 1 A 74 74 ARG CB C 74 30.308 30.167 0.141 1
1 1018 . 4 1 1 A 74 74 ARG N N 74 118.122 118.346 -0.224 1
1 1019 . 4 1 1 A 75 75 HIS H H 75 7.982 7.979 0.003 1
1 1020 . 4 1 1 A 75 75 HIS HA H 75 4.564 4.196 0.368 1
1 1023 . 4 1 1 A 75 75 HIS C C 75 175.202 175.842 -0.640 1
1 1024 . 4 1 1 A 75 75 HIS CA C 75 56.587 58.472 -1.885 1
1 1025 . 4 1 1 A 75 75 HIS CB C 75 28.477 30.209 -1.732 1
1 1026 . 4 1 1 A 75 75 HIS N N 75 117.995 120.084 -2.089 1
1 1027 . 4 1 1 A 76 76 LYS H H 76 8.180 7.593 0.587 1
1 1028 . 4 1 1 A 76 76 LYS HA H 76 4.148 4.108 0.040 1
1 1037 . 4 1 1 A 76 76 LYS C C 76 177.303 176.415 0.888 1
1 1038 . 4 1 1 A 76 76 LYS CA C 76 57.550 56.585 0.965 1
1 1039 . 4 1 1 A 76 76 LYS CB C 76 32.789 32.941 -0.152 1
1 1043 . 4 1 1 A 76 76 LYS N N 76 121.510 119.578 1.932 1
1 1044 . 4 1 1 A 77 77 GLU H H 77 8.321 8.400 -0.079 1
1 1045 . 4 1 1 A 77 77 GLU HA H 77 4.224 4.189 0.035 1
1 1050 . 4 1 1 A 77 77 GLU C C 77 177.067 176.192 0.875 1
1 1051 . 4 1 1 A 77 77 GLU CA C 77 56.991 56.514 0.477 1
1 1052 . 4 1 1 A 77 77 GLU CB C 77 29.841 29.948 -0.107 1
1 1054 . 4 1 1 A 77 77 GLU N N 77 120.860 122.838 -1.978 1
1 1055 . 4 1 1 A 78 78 ARG H H 78 8.228 8.850 -0.622 1
1 1056 . 4 1 1 A 78 78 ARG HA H 78 4.240 4.426 -0.186 1
1 1063 . 4 1 1 A 78 78 ARG C C 78 176.577 176.272 0.305 1
1 1064 . 4 1 1 A 78 78 ARG CA C 78 56.786 55.240 1.546 1
1 1065 . 4 1 1 A 78 78 ARG CB C 78 30.413 29.994 0.419 1
1 1068 . 4 1 1 A 78 78 ARG N N 78 121.081 123.980 -2.899 1
1 1069 . 4 1 1 A 79 79 ASN H H 79 8.333 9.043 -0.710 1
1 1070 . 4 1 1 A 79 79 ASN HA H 79 4.617 4.761 -0.144 1
1 1075 . 4 1 1 A 79 79 ASN C C 79 175.605 174.459 1.146 1
1 1076 . 4 1 1 A 79 79 ASN CA C 79 53.938 54.653 -0.715 1
1 1077 . 4 1 1 A 79 79 ASN CB C 79 38.748 40.764 -2.016 1
1 1079 . 4 1 1 A 79 79 ASN N N 79 118.880 125.031 -6.151 1
1 1081 . 4 1 1 A 80 80 GLN H H 80 8.285 7.661 0.624 1
1 1082 . 4 1 1 A 80 80 GLN HA H 80 4.253 4.741 -0.488 1
1 1089 . 4 1 1 A 80 80 GLN C C 80 176.304 174.357 1.947 1
1 1090 . 4 1 1 A 80 80 GLN CA C 80 56.545 54.763 1.782 1
1 1091 . 4 1 1 A 80 80 GLN CB C 80 29.274 32.206 -2.932 1
1 1094 . 4 1 1 A 80 80 GLN N N 80 120.222 117.036 3.186 1
1 1096 . 4 1 1 A 81 81 LEU H H 81 8.130 8.565 -0.435 1
1 1097 . 4 1 1 A 81 81 LEU HA H 81 4.222 4.486 -0.264 1
1 1107 . 4 1 1 A 81 81 LEU C C 81 177.542 177.501 0.041 1
1 1108 . 4 1 1 A 81 81 LEU CA C 81 55.736 54.278 1.458 1
1 1109 . 4 1 1 A 81 81 LEU CB C 81 42.196 42.435 -0.239 1
1 1113 . 4 1 1 A 81 81 LEU N N 81 122.119 123.260 -1.141 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.081 5.158 -1.077 1
1 5 . 5 1 1 A 2 2 ALA C C 2 173.423 176.229 -2.806 1
1 6 . 5 1 1 A 2 2 ALA CA C 2 51.798 50.801 0.997 1
1 7 . 5 1 1 A 2 2 ALA CB C 2 19.502 22.014 -2.512 1
1 8 . 5 1 1 A 3 3 LEU H H 3 8.547 8.406 0.141 1
1 9 . 5 1 1 A 3 3 LEU HA H 3 4.394 4.325 0.069 1
1 19 . 5 1 1 A 3 3 LEU C C 3 176.779 176.546 0.233 1
1 20 . 5 1 1 A 3 3 LEU CA C 3 55.226 54.770 0.456 1
1 21 . 5 1 1 A 3 3 LEU CB C 3 42.472 42.109 0.363 1
1 25 . 5 1 1 A 3 3 LEU N N 3 122.089 122.235 -0.146 1
1 26 . 5 1 1 A 4 4 ILE H H 4 8.319 9.121 -0.802 1
1 27 . 5 1 1 A 4 4 ILE HA H 4 4.167 4.534 -0.367 1
1 37 . 5 1 1 A 4 4 ILE C C 4 176.138 176.835 -0.697 1
1 38 . 5 1 1 A 4 4 ILE CA C 4 60.894 60.297 0.597 1
1 39 . 5 1 1 A 4 4 ILE CB C 4 38.595 40.424 -1.829 1
1 43 . 5 1 1 A 4 4 ILE N N 4 123.468 125.988 -2.520 1
1 44 . 5 1 1 A 5 5 MET H H 5 8.574 8.372 0.202 1
1 45 . 5 1 1 A 5 5 MET HA H 5 4.584 4.873 -0.289 1
1 50 . 5 1 1 A 5 5 MET C C 5 176.274 176.927 -0.653 1
1 51 . 5 1 1 A 5 5 MET CA C 5 55.348 54.160 1.188 1
1 52 . 5 1 1 A 5 5 MET CB C 5 32.961 32.537 0.424 1
1 54 . 5 1 1 A 5 5 MET N N 5 125.527 121.250 4.277 1
1 55 . 5 1 1 A 6 6 THR H H 6 8.172 7.810 0.362 1
1 56 . 5 1 1 A 6 6 THR HA H 6 4.331 4.325 0.006 1
1 61 . 5 1 1 A 6 6 THR C C 6 174.578 174.054 0.524 1
1 62 . 5 1 1 A 6 6 THR CA C 6 61.849 63.312 -1.463 1
1 63 . 5 1 1 A 6 6 THR CB C 6 69.904 69.480 0.424 1
1 65 . 5 1 1 A 6 6 THR N N 6 115.487 114.259 1.228 1
1 66 . 5 1 1 A 7 7 GLN H H 7 8.461 7.445 1.016 1
1 67 . 5 1 1 A 7 7 GLN HA H 7 4.317 4.380 -0.063 1
1 74 . 5 1 1 A 7 7 GLN C C 7 176.108 175.834 0.274 1
1 75 . 5 1 1 A 7 7 GLN CA C 7 56.149 54.082 2.067 1
1 76 . 5 1 1 A 7 7 GLN CB C 7 29.491 29.582 -0.091 1
1 79 . 5 1 1 A 7 7 GLN N N 7 122.199 117.906 4.293 1
1 81 . 5 1 1 A 8 8 GLN H H 8 8.418 8.163 0.255 1
1 82 . 5 1 1 A 8 8 GLN HA H 8 4.219 4.328 -0.109 1
1 89 . 5 1 1 A 8 8 GLN C C 8 175.704 175.201 0.503 1
1 90 . 5 1 1 A 8 8 GLN CA C 8 56.112 56.309 -0.197 1
1 91 . 5 1 1 A 8 8 GLN CB C 8 29.435 29.137 0.298 1
1 94 . 5 1 1 A 8 8 GLN N N 8 121.100 120.404 0.696 1
1 96 . 5 1 1 A 9 9 ASN H H 9 8.404 8.723 -0.319 1
1 97 . 5 1 1 A 9 9 ASN HA H 9 4.654 4.897 -0.243 1
1 102 . 5 1 1 A 9 9 ASN C C 9 174.445 174.734 -0.289 1
1 103 . 5 1 1 A 9 9 ASN CA C 9 53.190 51.687 1.503 1
1 104 . 5 1 1 A 9 9 ASN CB C 9 38.913 37.309 1.604 1
1 106 . 5 1 1 A 9 9 ASN N N 9 119.104 126.303 -7.199 1
1 108 . 5 1 1 A 10 10 ASN H H 10 8.306 8.391 -0.085 1
1 109 . 5 1 1 A 10 10 ASN HA H 10 4.964 4.679 0.285 1
1 114 . 5 1 1 A 10 10 ASN C C 10 174.315 175.445 -1.130 1
1 115 . 5 1 1 A 10 10 ASN CA C 10 51.318 54.165 -2.847 1
1 116 . 5 1 1 A 10 10 ASN CB C 10 38.992 37.414 1.578 1
1 118 . 5 1 1 A 10 10 ASN N N 10 119.847 120.510 -0.663 1
1 120 . 5 1 1 A 11 11 PRO HA H 11 4.427 4.539 -0.112 1
1 127 . 5 1 1 A 11 11 PRO C C 11 177.095 176.246 0.849 1
1 128 . 5 1 1 A 11 11 PRO CA C 11 64.214 63.929 0.285 1
1 129 . 5 1 1 A 11 11 PRO CB C 11 32.355 32.171 0.184 1
1 132 . 5 1 1 A 12 12 LEU H H 12 8.102 8.263 -0.161 1
1 133 . 5 1 1 A 12 12 LEU HA H 12 4.320 4.623 -0.303 1
1 143 . 5 1 1 A 12 12 LEU C C 12 177.341 177.441 -0.100 1
1 144 . 5 1 1 A 12 12 LEU CA C 12 54.883 54.287 0.596 1
1 145 . 5 1 1 A 12 12 LEU CB C 12 41.300 42.799 -1.499 1
1 149 . 5 1 1 A 12 12 LEU N N 12 117.525 120.526 -3.001 1
1 150 . 5 1 1 A 13 13 HIS H H 13 8.004 7.811 0.193 1
1 151 . 5 1 1 A 13 13 HIS HA H 13 4.453 4.279 0.174 1
1 154 . 5 1 1 A 13 13 HIS C C 13 175.375 176.797 -1.422 1
1 155 . 5 1 1 A 13 13 HIS CA C 13 56.796 59.087 -2.291 1
1 156 . 5 1 1 A 13 13 HIS CB C 13 28.248 29.812 -1.564 1
1 157 . 5 1 1 A 13 13 HIS N N 13 117.833 119.779 -1.946 1
1 158 . 5 1 1 A 14 14 GLY H H 14 8.530 8.268 0.262 1
1 159 . 5 1 1 A 14 14 GLY HA2 H 14 3.930 3.788 0.142 1
1 160 . 5 1 1 A 14 14 GLY HA3 H 14 3.755 3.832 -0.077 1
1 161 . 5 1 1 A 14 14 GLY C C 14 173.536 173.919 -0.383 1
1 162 . 5 1 1 A 14 14 GLY CA C 14 45.529 46.576 -1.047 1
1 163 . 5 1 1 A 14 14 GLY N N 14 110.385 104.717 5.668 1
1 164 . 5 1 1 A 15 15 ILE H H 15 7.563 7.757 -0.194 1
1 165 . 5 1 1 A 15 15 ILE HA H 15 4.392 4.287 0.105 1
1 175 . 5 1 1 A 15 15 ILE C C 15 174.878 175.972 -1.094 1
1 176 . 5 1 1 A 15 15 ILE CA C 15 60.102 60.821 -0.719 1
1 177 . 5 1 1 A 15 15 ILE CB C 15 39.383 38.792 0.591 1
1 181 . 5 1 1 A 15 15 ILE N N 15 120.363 120.081 0.282 1
1 182 . 5 1 1 A 16 16 THR H H 16 7.643 8.684 -1.041 1
1 183 . 5 1 1 A 16 16 THR HA H 16 4.381 4.685 -0.304 1
1 188 . 5 1 1 A 16 16 THR C C 16 174.950 175.561 -0.611 1
1 189 . 5 1 1 A 16 16 THR CA C 16 60.355 60.129 0.226 1
1 190 . 5 1 1 A 16 16 THR CB C 16 70.834 71.346 -0.512 1
1 192 . 5 1 1 A 16 16 THR N N 16 115.980 119.280 -3.300 1
1 193 . 5 1 1 A 17 17 LEU H H 17 8.712 8.932 -0.220 1
1 194 . 5 1 1 A 17 17 LEU HA H 17 4.029 4.039 -0.010 1
1 204 . 5 1 1 A 17 17 LEU C C 17 178.125 178.028 0.097 1
1 205 . 5 1 1 A 17 17 LEU CA C 17 57.582 58.495 -0.913 1
1 206 . 5 1 1 A 17 17 LEU CB C 17 40.906 41.104 -0.198 1
1 210 . 5 1 1 A 17 17 LEU N N 17 123.337 123.709 -0.372 1
1 211 . 5 1 1 A 18 18 GLN H H 18 8.611 8.193 0.418 1
1 212 . 5 1 1 A 18 18 GLN HA H 18 3.774 3.947 -0.173 1
1 219 . 5 1 1 A 18 18 GLN C C 18 178.211 178.486 -0.275 1
1 220 . 5 1 1 A 18 18 GLN CA C 18 60.388 59.208 1.180 1
1 221 . 5 1 1 A 18 18 GLN CB C 18 27.809 29.026 -1.217 1
1 224 . 5 1 1 A 18 18 GLN N N 18 116.423 118.735 -2.312 1
1 226 . 5 1 1 A 19 19 LYS H H 19 7.861 7.304 0.557 1
1 227 . 5 1 1 A 19 19 LYS HA H 19 3.957 4.104 -0.147 1
1 236 . 5 1 1 A 19 19 LYS C C 19 177.806 178.681 -0.875 1
1 237 . 5 1 1 A 19 19 LYS CA C 19 59.684 58.688 0.996 1
1 238 . 5 1 1 A 19 19 LYS CB C 19 32.300 31.893 0.407 1
1 242 . 5 1 1 A 19 19 LYS N N 19 123.583 119.756 3.827 1
1 243 . 5 1 1 A 20 20 LEU H H 20 8.223 7.935 0.288 1
1 244 . 5 1 1 A 20 20 LEU HA H 20 3.418 3.514 -0.096 1
1 254 . 5 1 1 A 20 20 LEU C C 20 178.417 178.129 0.288 1
1 255 . 5 1 1 A 20 20 LEU CA C 20 59.301 57.981 1.320 1
1 256 . 5 1 1 A 20 20 LEU CB C 20 41.370 41.640 -0.270 1
1 260 . 5 1 1 A 20 20 LEU N N 20 121.397 120.975 0.422 1
1 261 . 5 1 1 A 21 21 LEU H H 21 8.649 8.391 0.258 1
1 262 . 5 1 1 A 21 21 LEU HA H 21 3.872 3.882 -0.010 1
1 272 . 5 1 1 A 21 21 LEU C C 21 178.009 178.638 -0.629 1
1 273 . 5 1 1 A 21 21 LEU CA C 21 58.027 58.130 -0.103 1
1 274 . 5 1 1 A 21 21 LEU CB C 21 42.279 41.398 0.881 1
1 278 . 5 1 1 A 21 21 LEU N N 21 118.999 119.661 -0.662 1
1 279 . 5 1 1 A 22 22 THR H H 22 8.025 7.996 0.029 1
1 280 . 5 1 1 A 22 22 THR HA H 22 3.592 3.692 -0.100 1
1 285 . 5 1 1 A 22 22 THR C C 22 176.358 176.260 0.098 1
1 286 . 5 1 1 A 22 22 THR CA C 22 67.879 66.861 1.018 1
1 287 . 5 1 1 A 22 22 THR CB C 22 68.717 68.475 0.242 1
1 289 . 5 1 1 A 22 22 THR N N 22 115.015 114.671 0.344 1
1 290 . 5 1 1 A 23 23 GLU H H 23 8.158 8.632 -0.474 1
1 291 . 5 1 1 A 23 23 GLU HA H 23 4.068 4.034 0.034 1
1 296 . 5 1 1 A 23 23 GLU C C 23 180.091 179.609 0.482 1
1 297 . 5 1 1 A 23 23 GLU CA C 23 59.845 59.505 0.340 1
1 298 . 5 1 1 A 23 23 GLU CB C 23 29.101 29.285 -0.184 1
1 300 . 5 1 1 A 23 23 GLU N N 23 120.691 119.383 1.308 1
1 301 . 5 1 1 A 24 24 LEU H H 24 8.121 7.853 0.268 1
1 302 . 5 1 1 A 24 24 LEU HA H 24 4.140 4.349 -0.209 1
1 312 . 5 1 1 A 24 24 LEU C C 24 179.047 178.864 0.183 1
1 313 . 5 1 1 A 24 24 LEU CA C 24 58.438 57.987 0.451 1
1 314 . 5 1 1 A 24 24 LEU CB C 24 42.715 41.731 0.984 1
1 318 . 5 1 1 A 24 24 LEU N N 24 119.210 120.587 -1.377 1
1 319 . 5 1 1 A 25 25 VAL H H 25 8.577 8.243 0.334 1
1 320 . 5 1 1 A 25 25 VAL HA H 25 2.698 3.089 -0.391 1
1 328 . 5 1 1 A 25 25 VAL C C 25 179.143 177.335 1.808 1
1 329 . 5 1 1 A 25 25 VAL CA C 25 67.077 66.419 0.658 1
1 330 . 5 1 1 A 25 25 VAL CB C 25 31.127 30.923 0.204 1
1 333 . 5 1 1 A 25 25 VAL N N 25 122.036 119.566 2.470 1
1 334 . 5 1 1 A 26 26 GLU H H 26 8.216 8.240 -0.024 1
1 335 . 5 1 1 A 26 26 GLU HA H 26 3.858 3.898 -0.040 1
1 340 . 5 1 1 A 26 26 GLU C C 26 177.409 178.708 -1.299 1
1 341 . 5 1 1 A 26 26 GLU CA C 26 59.105 59.269 -0.164 1
1 342 . 5 1 1 A 26 26 GLU CB C 26 29.025 29.021 0.004 1
1 344 . 5 1 1 A 26 26 GLU N N 26 119.262 118.629 0.633 1
1 345 . 5 1 1 A 27 27 HIS H H 27 7.815 7.712 0.103 1
1 346 . 5 1 1 A 27 27 HIS HA H 27 4.183 4.267 -0.084 1
1 349 . 5 1 1 A 27 27 HIS C C 27 175.618 176.274 -0.656 1
1 350 . 5 1 1 A 27 27 HIS CA C 27 58.932 58.907 0.025 1
1 351 . 5 1 1 A 27 27 HIS CB C 27 29.358 30.535 -1.177 1
1 352 . 5 1 1 A 27 27 HIS N N 27 114.100 118.688 -4.588 1
1 353 . 5 1 1 A 28 28 TYR H H 28 8.628 8.018 0.610 1
1 354 . 5 1 1 A 28 28 TYR HA H 28 4.424 4.286 0.138 1
1 361 . 5 1 1 A 28 28 TYR C C 28 177.445 176.460 0.985 1
1 362 . 5 1 1 A 28 28 TYR CA C 28 60.294 60.271 0.023 1
1 363 . 5 1 1 A 28 28 TYR CB C 28 40.851 39.089 1.762 1
1 368 . 5 1 1 A 28 28 TYR N N 28 113.706 114.733 -1.027 1
1 369 . 5 1 1 A 29 29 GLY H H 29 7.713 7.444 0.269 1
1 370 . 5 1 1 A 29 29 GLY HA2 H 29 4.366 3.981 0.385 1
1 371 . 5 1 1 A 29 29 GLY HA3 H 29 3.846 4.104 -0.258 1
1 372 . 5 1 1 A 29 29 GLY C C 29 172.549 175.034 -2.485 1
1 373 . 5 1 1 A 29 29 GLY CA C 29 44.258 44.567 -0.309 1
1 374 . 5 1 1 A 29 29 GLY N N 29 107.840 104.169 3.671 1
1 375 . 5 1 1 A 30 30 TRP H H 30 7.960 8.915 -0.955 1
1 376 . 5 1 1 A 30 30 TRP HA H 30 4.136 4.173 -0.037 1
1 385 . 5 1 1 A 30 30 TRP C C 30 178.090 178.706 -0.616 1
1 386 . 5 1 1 A 30 30 TRP CA C 30 60.502 59.759 0.743 1
1 387 . 5 1 1 A 30 30 TRP CB C 30 30.304 29.121 1.183 1
1 393 . 5 1 1 A 30 30 TRP N N 30 118.175 122.351 -4.176 1
1 395 . 5 1 1 A 31 31 GLU H H 31 8.549 8.437 0.112 1
1 396 . 5 1 1 A 31 31 GLU HA H 31 3.992 3.961 0.031 1
1 401 . 5 1 1 A 31 31 GLU C C 31 179.942 179.550 0.392 1
1 402 . 5 1 1 A 31 31 GLU CA C 31 60.090 60.119 -0.029 1
1 403 . 5 1 1 A 31 31 GLU CB C 31 28.474 29.422 -0.948 1
1 405 . 5 1 1 A 31 31 GLU N N 31 118.099 119.731 -1.632 1
1 406 . 5 1 1 A 32 32 GLU H H 32 8.962 7.996 0.966 1
1 407 . 5 1 1 A 32 32 GLU HA H 32 4.137 4.150 -0.013 1
1 412 . 5 1 1 A 32 32 GLU C C 32 179.651 179.714 -0.063 1
1 413 . 5 1 1 A 32 32 GLU CA C 32 58.745 59.115 -0.370 1
1 414 . 5 1 1 A 32 32 GLU CB C 32 28.145 30.189 -2.044 1
1 416 . 5 1 1 A 32 32 GLU N N 32 120.094 120.658 -0.564 1
1 417 . 5 1 1 A 33 33 LEU H H 33 7.748 8.400 -0.652 1
1 418 . 5 1 1 A 33 33 LEU HA H 33 3.922 3.883 0.039 1
1 428 . 5 1 1 A 33 33 LEU C C 33 178.833 179.356 -0.523 1
1 429 . 5 1 1 A 33 33 LEU CA C 33 58.577 57.815 0.762 1
1 430 . 5 1 1 A 33 33 LEU CB C 33 41.269 41.396 -0.127 1
1 434 . 5 1 1 A 33 33 LEU N N 33 118.890 120.820 -1.930 1
1 435 . 5 1 1 A 34 34 SER H H 34 8.607 8.404 0.203 1
1 436 . 5 1 1 A 34 34 SER HA H 34 4.642 4.516 0.126 1
1 439 . 5 1 1 A 34 34 SER C C 34 175.346 176.132 -0.786 1
1 440 . 5 1 1 A 34 34 SER CA C 34 61.247 62.365 -1.118 1
1 441 . 5 1 1 A 34 34 SER CB C 34 63.043 63.473 -0.430 1
1 442 . 5 1 1 A 34 34 SER N N 34 114.464 114.096 0.368 1
1 443 . 5 1 1 A 35 35 TYR H H 35 7.395 7.493 -0.098 1
1 444 . 5 1 1 A 35 35 TYR HA H 35 4.537 4.277 0.260 1
1 451 . 5 1 1 A 35 35 TYR C C 35 177.940 177.288 0.652 1
1 452 . 5 1 1 A 35 35 TYR CA C 35 58.907 61.384 -2.477 1
1 453 . 5 1 1 A 35 35 TYR CB C 35 37.852 38.473 -0.621 1
1 458 . 5 1 1 A 35 35 TYR N N 35 120.804 123.030 -2.226 1
1 459 . 5 1 1 A 36 36 MET H H 36 7.840 8.316 -0.476 1
1 460 . 5 1 1 A 36 36 MET HA H 36 4.158 4.170 -0.012 1
1 468 . 5 1 1 A 36 36 MET C C 36 177.049 176.808 0.241 1
1 469 . 5 1 1 A 36 36 MET CA C 36 58.684 58.568 0.116 1
1 470 . 5 1 1 A 36 36 MET CB C 36 34.927 33.745 1.182 1
1 473 . 5 1 1 A 36 36 MET N N 36 118.425 117.504 0.921 1
1 474 . 5 1 1 A 37 37 VAL H H 37 8.469 8.391 0.078 1
1 475 . 5 1 1 A 37 37 VAL HA H 37 4.265 4.280 -0.015 1
1 483 . 5 1 1 A 37 37 VAL C C 37 173.959 174.666 -0.707 1
1 484 . 5 1 1 A 37 37 VAL CA C 37 61.621 61.883 -0.262 1
1 485 . 5 1 1 A 37 37 VAL CB C 37 32.527 30.928 1.599 1
1 488 . 5 1 1 A 37 37 VAL N N 37 117.997 118.707 -0.710 1
1 489 . 5 1 1 A 38 38 ASN H H 38 8.677 9.237 -0.560 1
1 490 . 5 1 1 A 38 38 ASN HA H 38 4.948 5.178 -0.230 1
1 495 . 5 1 1 A 38 38 ASN C C 38 174.710 174.595 0.115 1
1 496 . 5 1 1 A 38 38 ASN CA C 38 53.444 52.784 0.660 1
1 497 . 5 1 1 A 38 38 ASN CB C 38 37.001 37.616 -0.615 1
1 499 . 5 1 1 A 38 38 ASN N N 38 123.121 126.783 -3.662 1
1 501 . 5 1 1 A 39 39 ILE H H 39 7.744 8.253 -0.509 1
1 502 . 5 1 1 A 39 39 ILE HA H 39 4.655 4.948 -0.293 1
1 512 . 5 1 1 A 39 39 ILE C C 39 176.996 174.200 2.796 1
1 513 . 5 1 1 A 39 39 ILE CA C 39 59.201 58.639 0.562 1
1 514 . 5 1 1 A 39 39 ILE CB C 39 40.558 41.482 -0.924 1
1 518 . 5 1 1 A 39 39 ILE N N 39 115.722 121.420 -5.698 1
1 519 . 5 1 1 A 40 40 ASN H H 40 8.881 8.615 0.266 1
1 520 . 5 1 1 A 40 40 ASN HA H 40 4.192 4.629 -0.437 1
1 525 . 5 1 1 A 40 40 ASN C C 40 177.705 174.727 2.978 1
1 526 . 5 1 1 A 40 40 ASN CA C 40 56.883 52.321 4.562 1
1 527 . 5 1 1 A 40 40 ASN CB C 40 38.313 36.927 1.386 1
1 529 . 5 1 1 A 40 40 ASN N N 40 124.600 123.699 0.901 1
1 531 . 5 1 1 A 41 41 CYS H H 41 8.034 8.508 -0.474 1
1 532 . 5 1 1 A 41 41 CYS HA H 41 4.373 4.490 -0.117 1
1 535 . 5 1 1 A 41 41 CYS C C 41 174.303 175.782 -1.479 1
1 536 . 5 1 1 A 41 41 CYS CA C 41 59.164 60.337 -1.173 1
1 537 . 5 1 1 A 41 41 CYS CB C 41 26.126 29.340 -3.214 1
1 538 . 5 1 1 A 41 41 CYS N N 41 115.097 123.601 -8.504 1
1 539 . 5 1 1 A 42 42 PHE H H 42 7.031 7.991 -0.960 1
1 540 . 5 1 1 A 42 42 PHE HA H 42 4.937 4.325 0.612 1
1 548 . 5 1 1 A 42 42 PHE C C 42 174.437 178.236 -3.799 1
1 549 . 5 1 1 A 42 42 PHE CA C 42 54.439 61.239 -6.800 1
1 550 . 5 1 1 A 42 42 PHE CB C 42 38.059 38.394 -0.335 1
1 556 . 5 1 1 A 42 42 PHE N N 42 117.304 119.362 -2.058 1
1 557 . 5 1 1 A 43 43 LYS H H 43 7.371 7.901 -0.530 1
1 558 . 5 1 1 A 43 43 LYS HA H 43 4.304 4.106 0.198 1
1 567 . 5 1 1 A 43 43 LYS C C 43 175.800 176.846 -1.046 1
1 568 . 5 1 1 A 43 43 LYS CA C 43 57.474 59.678 -2.204 1
1 569 . 5 1 1 A 43 43 LYS CB C 43 34.978 32.965 2.013 1
1 573 . 5 1 1 A 43 43 LYS N N 43 116.029 120.543 -4.514 1
1 574 . 5 1 1 A 44 44 LYS H H 44 7.593 7.945 -0.352 1
1 575 . 5 1 1 A 44 44 LYS HA H 44 4.302 4.429 -0.127 1
1 584 . 5 1 1 A 44 44 LYS C C 44 173.608 175.481 -1.873 1
1 585 . 5 1 1 A 44 44 LYS CA C 44 55.169 55.117 0.052 1
1 586 . 5 1 1 A 44 44 LYS CB C 44 33.123 33.855 -0.732 1
1 590 . 5 1 1 A 44 44 LYS N N 44 119.851 119.153 0.698 1
1 591 . 5 1 1 A 45 45 ASP H H 45 8.774 8.815 -0.041 1
1 592 . 5 1 1 A 45 45 ASP HA H 45 4.200 4.093 0.107 1
1 595 . 5 1 1 A 45 45 ASP C C 45 172.128 175.140 -3.012 1
1 596 . 5 1 1 A 45 45 ASP CA C 45 53.963 54.577 -0.614 1
1 597 . 5 1 1 A 45 45 ASP CB C 45 40.263 39.372 0.891 1
1 598 . 5 1 1 A 45 45 ASP N N 45 122.276 123.191 -0.915 1
1 599 . 5 1 1 A 46 46 PRO HA H 46 3.930 4.266 -0.336 1
1 606 . 5 1 1 A 46 46 PRO C C 46 176.968 174.388 2.580 1
1 607 . 5 1 1 A 46 46 PRO CA C 46 62.964 61.902 1.062 1
1 608 . 5 1 1 A 46 46 PRO CB C 46 30.892 28.270 2.622 1
1 611 . 5 1 1 A 47 47 SER H H 47 8.018 8.131 -0.113 1
1 612 . 5 1 1 A 47 47 SER HA H 47 4.676 4.634 0.042 1
1 615 . 5 1 1 A 47 47 SER C C 47 175.465 175.766 -0.301 1
1 616 . 5 1 1 A 47 47 SER CA C 47 57.014 56.501 0.513 1
1 617 . 5 1 1 A 47 47 SER CB C 47 66.436 64.441 1.995 1
1 618 . 5 1 1 A 47 47 SER N N 47 112.273 117.919 -5.646 1
1 619 . 5 1 1 A 48 48 ILE H H 48 9.489 8.894 0.595 1
1 620 . 5 1 1 A 48 48 ILE HA H 48 4.013 4.007 0.006 1
1 630 . 5 1 1 A 48 48 ILE C C 48 177.681 178.158 -0.477 1
1 631 . 5 1 1 A 48 48 ILE CA C 48 64.456 65.955 -1.499 1
1 632 . 5 1 1 A 48 48 ILE CB C 48 36.382 37.941 -1.559 1
1 636 . 5 1 1 A 48 48 ILE N N 48 126.826 129.278 -2.452 1
1 637 . 5 1 1 A 49 49 LYS H H 49 8.735 8.080 0.655 1
1 638 . 5 1 1 A 49 49 LYS HA H 49 3.984 4.031 -0.047 1
1 647 . 5 1 1 A 49 49 LYS C C 49 179.784 178.580 1.204 1
1 648 . 5 1 1 A 49 49 LYS CA C 49 60.562 58.929 1.633 1
1 649 . 5 1 1 A 49 49 LYS CB C 49 32.533 32.144 0.389 1
1 653 . 5 1 1 A 49 49 LYS N N 49 118.592 121.117 -2.525 1
1 654 . 5 1 1 A 50 50 SER H H 50 8.065 7.843 0.222 1
1 655 . 5 1 1 A 50 50 SER HA H 50 4.270 4.217 0.053 1
1 658 . 5 1 1 A 50 50 SER C C 50 178.135 177.503 0.632 1
1 659 . 5 1 1 A 50 50 SER CA C 50 61.431 61.685 -0.254 1
1 660 . 5 1 1 A 50 50 SER CB C 50 62.672 62.927 -0.255 1
1 661 . 5 1 1 A 50 50 SER N N 50 114.354 114.931 -0.577 1
1 662 . 5 1 1 A 51 51 SER H H 51 8.300 8.419 -0.119 1
1 663 . 5 1 1 A 51 51 SER HA H 51 4.681 4.479 0.202 1
1 666 . 5 1 1 A 51 51 SER C C 51 176.245 176.204 0.041 1
1 667 . 5 1 1 A 51 51 SER CA C 51 63.327 62.620 0.707 1
1 668 . 5 1 1 A 51 51 SER CB C 51 64.340 63.622 0.718 1
1 669 . 5 1 1 A 51 51 SER N N 51 120.855 117.528 3.327 1
1 670 . 5 1 1 A 52 52 LEU H H 52 8.849 8.510 0.339 1
1 671 . 5 1 1 A 52 52 LEU HA H 52 3.902 3.981 -0.079 1
1 681 . 5 1 1 A 52 52 LEU C C 52 178.339 179.162 -0.823 1
1 682 . 5 1 1 A 52 52 LEU CA C 52 58.600 58.255 0.345 1
1 683 . 5 1 1 A 52 52 LEU CB C 52 41.685 41.543 0.142 1
1 687 . 5 1 1 A 52 52 LEU N N 52 122.627 121.076 1.551 1
1 688 . 5 1 1 A 53 53 LYS H H 53 7.268 8.497 -1.229 1
1 689 . 5 1 1 A 53 53 LYS HA H 53 3.957 3.907 0.050 1
1 698 . 5 1 1 A 53 53 LYS C C 53 178.750 178.670 0.080 1
1 699 . 5 1 1 A 53 53 LYS CA C 53 59.867 59.291 0.576 1
1 700 . 5 1 1 A 53 53 LYS CB C 53 32.475 32.125 0.350 1
1 704 . 5 1 1 A 53 53 LYS N N 53 117.100 120.409 -3.309 1
1 705 . 5 1 1 A 54 54 PHE H H 54 7.388 8.147 -0.759 1
1 706 . 5 1 1 A 54 54 PHE HA H 54 4.167 4.145 0.022 1
1 714 . 5 1 1 A 54 54 PHE C C 54 178.975 177.117 1.858 1
1 715 . 5 1 1 A 54 54 PHE CA C 54 61.515 61.258 0.257 1
1 716 . 5 1 1 A 54 54 PHE CB C 54 39.619 39.135 0.484 1
1 722 . 5 1 1 A 54 54 PHE N N 54 117.704 120.486 -2.782 1
1 723 . 5 1 1 A 55 55 LEU H H 55 9.142 8.771 0.371 1
1 724 . 5 1 1 A 55 55 LEU HA H 55 3.720 3.734 -0.014 1
1 734 . 5 1 1 A 55 55 LEU C C 55 178.763 179.173 -0.410 1
1 735 . 5 1 1 A 55 55 LEU CA C 55 57.656 57.685 -0.029 1
1 736 . 5 1 1 A 55 55 LEU CB C 55 42.837 41.340 1.497 1
1 740 . 5 1 1 A 55 55 LEU N N 55 120.396 118.752 1.644 1
1 741 . 5 1 1 A 56 56 ARG H H 56 8.338 8.082 0.256 1
1 742 . 5 1 1 A 56 56 ARG HA H 56 3.855 3.964 -0.109 1
1 750 . 5 1 1 A 56 56 ARG C C 56 176.697 178.250 -1.553 1
1 751 . 5 1 1 A 56 56 ARG CA C 56 59.452 59.549 -0.097 1
1 752 . 5 1 1 A 56 56 ARG CB C 56 30.239 29.896 0.343 1
1 755 . 5 1 1 A 56 56 ARG N N 56 116.866 118.753 -1.887 1
1 757 . 5 1 1 A 57 57 LYS H H 57 6.770 7.987 -1.217 1
1 758 . 5 1 1 A 57 57 LYS HA H 57 4.542 4.303 0.239 1
1 767 . 5 1 1 A 57 57 LYS C C 57 176.148 176.420 -0.272 1
1 768 . 5 1 1 A 57 57 LYS CA C 57 55.545 57.600 -2.055 1
1 769 . 5 1 1 A 57 57 LYS CB C 57 33.805 33.209 0.596 1
1 773 . 5 1 1 A 57 57 LYS N N 57 113.205 116.249 -3.044 1
1 774 . 5 1 1 A 58 58 THR H H 58 6.908 7.359 -0.451 1
1 775 . 5 1 1 A 58 58 THR HA H 58 4.212 4.278 -0.066 1
1 780 . 5 1 1 A 58 58 THR C C 58 173.643 174.693 -1.050 1
1 781 . 5 1 1 A 58 58 THR CA C 58 60.688 62.341 -1.653 1
1 782 . 5 1 1 A 58 58 THR CB C 58 67.557 67.756 -0.199 1
1 784 . 5 1 1 A 58 58 THR N N 58 117.915 114.382 3.533 1
1 785 . 5 1 1 A 59 59 ASP H H 59 8.789 8.675 0.114 1
1 786 . 5 1 1 A 59 59 ASP HA H 59 4.128 4.203 -0.075 1
1 789 . 5 1 1 A 59 59 ASP C C 59 178.565 177.669 0.896 1
1 790 . 5 1 1 A 59 59 ASP CA C 59 58.506 57.631 0.875 1
1 791 . 5 1 1 A 59 59 ASP CB C 59 39.530 41.018 -1.488 1
1 792 . 5 1 1 A 59 59 ASP N N 59 128.511 127.965 0.546 1
1 793 . 5 1 1 A 60 60 TRP H H 60 8.638 8.525 0.113 1
1 794 . 5 1 1 A 60 60 TRP HA H 60 4.375 4.443 -0.068 1
1 803 . 5 1 1 A 60 60 TRP C C 60 178.277 178.864 -0.587 1
1 804 . 5 1 1 A 60 60 TRP CA C 60 59.183 60.140 -0.957 1
1 805 . 5 1 1 A 60 60 TRP CB C 60 26.962 28.338 -1.376 1
1 811 . 5 1 1 A 60 60 TRP N N 60 117.515 119.436 -1.921 1
1 813 . 5 1 1 A 61 61 ALA H H 61 5.533 7.433 -1.900 1
1 814 . 5 1 1 A 61 61 ALA HA H 61 3.414 3.176 0.238 1
1 818 . 5 1 1 A 61 61 ALA C C 61 177.616 179.332 -1.716 1
1 819 . 5 1 1 A 61 61 ALA CA C 61 54.478 54.755 -0.277 1
1 820 . 5 1 1 A 61 61 ALA CB C 61 17.904 17.531 0.373 1
1 821 . 5 1 1 A 61 61 ALA N N 61 125.465 123.617 1.848 1
1 822 . 5 1 1 A 62 62 ARG H H 62 7.811 7.437 0.374 1
1 823 . 5 1 1 A 62 62 ARG HA H 62 3.617 3.936 -0.319 1
1 831 . 5 1 1 A 62 62 ARG C C 62 177.918 178.642 -0.724 1
1 832 . 5 1 1 A 62 62 ARG CA C 62 60.708 59.580 1.128 1
1 833 . 5 1 1 A 62 62 ARG CB C 62 29.156 29.930 -0.774 1
1 836 . 5 1 1 A 62 62 ARG N N 62 120.420 118.464 1.956 1
1 838 . 5 1 1 A 63 63 GLU H H 63 8.412 7.867 0.545 1
1 839 . 5 1 1 A 63 63 GLU HA H 63 4.041 4.051 -0.010 1
1 844 . 5 1 1 A 63 63 GLU C C 63 178.935 178.638 0.297 1
1 845 . 5 1 1 A 63 63 GLU CA C 63 59.509 58.881 0.628 1
1 846 . 5 1 1 A 63 63 GLU CB C 63 28.759 28.645 0.114 1
1 848 . 5 1 1 A 63 63 GLU N N 63 117.144 117.181 -0.037 1
1 849 . 5 1 1 A 64 64 ARG H H 64 7.603 7.810 -0.207 1
1 850 . 5 1 1 A 64 64 ARG HA H 64 4.256 4.114 0.142 1
1 858 . 5 1 1 A 64 64 ARG C C 64 179.133 178.514 0.619 1
1 859 . 5 1 1 A 64 64 ARG CA C 64 59.340 59.287 0.053 1
1 860 . 5 1 1 A 64 64 ARG CB C 64 30.067 30.152 -0.085 1
1 863 . 5 1 1 A 64 64 ARG N N 64 118.298 119.365 -1.067 1
1 865 . 5 1 1 A 65 65 VAL H H 65 8.065 7.992 0.073 1
1 866 . 5 1 1 A 65 65 VAL HA H 65 3.713 3.560 0.153 1
1 874 . 5 1 1 A 65 65 VAL C C 65 177.638 177.826 -0.188 1
1 875 . 5 1 1 A 65 65 VAL CA C 65 66.891 66.383 0.508 1
1 876 . 5 1 1 A 65 65 VAL CB C 65 31.480 31.615 -0.135 1
1 879 . 5 1 1 A 65 65 VAL N N 65 117.270 119.995 -2.725 1
1 880 . 5 1 1 A 66 66 GLU H H 66 8.583 8.953 -0.370 1
1 881 . 5 1 1 A 66 66 GLU HA H 66 3.912 3.973 -0.061 1
1 886 . 5 1 1 A 66 66 GLU C C 66 178.380 178.822 -0.442 1
1 887 . 5 1 1 A 66 66 GLU CA C 66 60.256 59.959 0.297 1
1 888 . 5 1 1 A 66 66 GLU CB C 66 28.691 29.314 -0.623 1
1 890 . 5 1 1 A 66 66 GLU N N 66 119.924 118.911 1.013 1
1 891 . 5 1 1 A 67 67 ASN H H 67 8.267 7.979 0.288 1
1 892 . 5 1 1 A 67 67 ASN HA H 67 4.567 4.538 0.029 1
1 897 . 5 1 1 A 67 67 ASN C C 67 178.338 177.908 0.430 1
1 898 . 5 1 1 A 67 67 ASN CA C 67 56.900 56.397 0.503 1
1 899 . 5 1 1 A 67 67 ASN CB C 67 38.802 38.746 0.056 1
1 901 . 5 1 1 A 67 67 ASN N N 67 117.574 117.794 -0.220 1
1 903 . 5 1 1 A 68 68 ILE H H 68 8.132 7.985 0.147 1
1 904 . 5 1 1 A 68 68 ILE HA H 68 3.726 3.607 0.119 1
1 914 . 5 1 1 A 68 68 ILE C C 68 178.722 177.986 0.736 1
1 915 . 5 1 1 A 68 68 ILE CA C 68 65.388 65.311 0.077 1
1 916 . 5 1 1 A 68 68 ILE CB C 68 37.841 37.605 0.236 1
1 920 . 5 1 1 A 68 68 ILE N N 68 121.125 119.323 1.802 1
1 921 . 5 1 1 A 69 69 TYR H H 69 8.146 8.284 -0.138 1
1 922 . 5 1 1 A 69 69 TYR HA H 69 4.058 4.187 -0.129 1
1 929 . 5 1 1 A 69 69 TYR C C 69 177.061 177.313 -0.252 1
1 930 . 5 1 1 A 69 69 TYR CA C 69 62.828 61.653 1.175 1
1 931 . 5 1 1 A 69 69 TYR CB C 69 38.747 38.839 -0.092 1
1 936 . 5 1 1 A 69 69 TYR N N 69 121.378 121.560 -0.182 1
1 937 . 5 1 1 A 70 70 LEU H H 70 8.630 8.285 0.345 1
1 938 . 5 1 1 A 70 70 LEU HA H 70 3.875 3.889 -0.014 1
1 948 . 5 1 1 A 70 70 LEU C C 70 179.755 179.444 0.311 1
1 949 . 5 1 1 A 70 70 LEU CA C 70 58.230 58.156 0.074 1
1 950 . 5 1 1 A 70 70 LEU CB C 70 41.733 41.437 0.296 1
1 954 . 5 1 1 A 70 70 LEU N N 70 120.179 119.575 0.604 1
1 955 . 5 1 1 A 71 71 LYS H H 71 7.950 8.066 -0.116 1
1 956 . 5 1 1 A 71 71 LYS HA H 71 3.957 4.043 -0.086 1
1 965 . 5 1 1 A 71 71 LYS C C 71 178.961 179.092 -0.131 1
1 966 . 5 1 1 A 71 71 LYS CA C 71 59.684 59.195 0.489 1
1 967 . 5 1 1 A 71 71 LYS CB C 71 32.421 31.642 0.779 1
1 971 . 5 1 1 A 71 71 LYS N N 71 118.820 118.889 -0.069 1
1 972 . 5 1 1 A 72 72 LEU H H 72 7.731 7.898 -0.167 1
1 973 . 5 1 1 A 72 72 LEU HA H 72 4.037 4.194 -0.157 1
1 983 . 5 1 1 A 72 72 LEU C C 72 178.533 178.699 -0.166 1
1 984 . 5 1 1 A 72 72 LEU CA C 72 57.352 57.908 -0.556 1
1 985 . 5 1 1 A 72 72 LEU CB C 72 41.406 41.428 -0.022 1
1 989 . 5 1 1 A 72 72 LEU N N 72 121.367 121.924 -0.557 1
1 990 . 5 1 1 A 73 73 GLN H H 73 7.884 7.801 0.083 1
1 991 . 5 1 1 A 73 73 GLN HA H 73 3.852 3.946 -0.094 1
1 998 . 5 1 1 A 73 73 GLN C C 73 177.679 178.781 -1.102 1
1 999 . 5 1 1 A 73 73 GLN CA C 73 57.026 59.150 -2.124 1
1 1000 . 5 1 1 A 73 73 GLN CB C 73 28.148 27.932 0.216 1
1 1003 . 5 1 1 A 73 73 GLN N N 73 116.639 117.955 -1.316 1
1 1005 . 5 1 1 A 74 74 ARG H H 74 7.725 7.925 -0.200 1
1 1006 . 5 1 1 A 74 74 ARG HA H 74 4.136 4.045 0.091 1
1 1013 . 5 1 1 A 74 74 ARG C C 74 177.235 178.969 -1.734 1
1 1014 . 5 1 1 A 74 74 ARG CA C 74 57.452 59.335 -1.883 1
1 1015 . 5 1 1 A 74 74 ARG CB C 74 30.308 30.012 0.296 1
1 1018 . 5 1 1 A 74 74 ARG N N 74 118.122 119.674 -1.552 1
1 1019 . 5 1 1 A 75 75 HIS H H 75 7.982 8.284 -0.302 1
1 1020 . 5 1 1 A 75 75 HIS HA H 75 4.564 4.222 0.342 1
1 1023 . 5 1 1 A 75 75 HIS C C 75 175.202 176.026 -0.824 1
1 1024 . 5 1 1 A 75 75 HIS CA C 75 56.587 58.061 -1.474 1
1 1025 . 5 1 1 A 75 75 HIS CB C 75 28.477 30.545 -2.068 1
1 1026 . 5 1 1 A 75 75 HIS N N 75 117.995 120.048 -2.053 1
1 1027 . 5 1 1 A 76 76 LYS H H 76 8.180 7.838 0.342 1
1 1028 . 5 1 1 A 76 76 LYS HA H 76 4.148 4.167 -0.019 1
1 1037 . 5 1 1 A 76 76 LYS C C 76 177.303 176.974 0.329 1
1 1038 . 5 1 1 A 76 76 LYS CA C 76 57.550 54.997 2.553 1
1 1039 . 5 1 1 A 76 76 LYS CB C 76 32.789 30.717 2.072 1
1 1043 . 5 1 1 A 76 76 LYS N N 76 121.510 118.794 2.716 1
1 1044 . 5 1 1 A 77 77 GLU H H 77 8.321 8.319 0.002 1
1 1045 . 5 1 1 A 77 77 GLU HA H 77 4.224 4.240 -0.016 1
1 1050 . 5 1 1 A 77 77 GLU C C 77 177.067 177.378 -0.311 1
1 1051 . 5 1 1 A 77 77 GLU CA C 77 56.991 58.190 -1.199 1
1 1052 . 5 1 1 A 77 77 GLU CB C 77 29.841 30.045 -0.204 1
1 1054 . 5 1 1 A 77 77 GLU N N 77 120.860 125.829 -4.969 1
1 1055 . 5 1 1 A 78 78 ARG H H 78 8.228 7.446 0.782 1
1 1056 . 5 1 1 A 78 78 ARG HA H 78 4.240 4.328 -0.088 1
1 1063 . 5 1 1 A 78 78 ARG C C 78 176.577 174.237 2.340 1
1 1064 . 5 1 1 A 78 78 ARG CA C 78 56.786 55.140 1.646 1
1 1065 . 5 1 1 A 78 78 ARG CB C 78 30.413 28.951 1.462 1
1 1068 . 5 1 1 A 78 78 ARG N N 78 121.081 120.788 0.293 1
1 1069 . 5 1 1 A 79 79 ASN H H 79 8.333 8.206 0.127 1
1 1070 . 5 1 1 A 79 79 ASN HA H 79 4.617 5.497 -0.880 1
1 1075 . 5 1 1 A 79 79 ASN C C 79 175.605 174.255 1.350 1
1 1076 . 5 1 1 A 79 79 ASN CA C 79 53.938 51.912 2.026 1
1 1077 . 5 1 1 A 79 79 ASN CB C 79 38.748 42.344 -3.596 1
1 1079 . 5 1 1 A 79 79 ASN N N 79 118.880 123.825 -4.945 1
1 1081 . 5 1 1 A 80 80 GLN H H 80 8.285 8.582 -0.297 1
1 1082 . 5 1 1 A 80 80 GLN HA H 80 4.253 4.653 -0.400 1
1 1089 . 5 1 1 A 80 80 GLN C C 80 176.304 174.420 1.884 1
1 1090 . 5 1 1 A 80 80 GLN CA C 80 56.545 55.355 1.190 1
1 1091 . 5 1 1 A 80 80 GLN CB C 80 29.274 32.962 -3.688 1
1 1094 . 5 1 1 A 80 80 GLN N N 80 120.222 121.769 -1.547 1
1 1096 . 5 1 1 A 81 81 LEU H H 81 8.130 8.618 -0.488 1
1 1097 . 5 1 1 A 81 81 LEU HA H 81 4.222 4.526 -0.304 1
1 1107 . 5 1 1 A 81 81 LEU C C 81 177.542 177.414 0.128 1
1 1108 . 5 1 1 A 81 81 LEU CA C 81 55.736 54.156 1.580 1
1 1109 . 5 1 1 A 81 81 LEU CB C 81 42.196 42.238 -0.042 1
1 1113 . 5 1 1 A 81 81 LEU N N 81 122.119 127.511 -5.392 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.081 4.235 -0.154 1
1 5 . 6 1 1 A 2 2 ALA C C 2 173.423 176.957 -3.534 1
1 6 . 6 1 1 A 2 2 ALA CA C 2 51.798 51.969 -0.171 1
1 7 . 6 1 1 A 2 2 ALA CB C 2 19.502 18.571 0.931 1
1 8 . 6 1 1 A 3 3 LEU H H 3 8.547 8.135 0.412 1
1 9 . 6 1 1 A 3 3 LEU HA H 3 4.394 4.119 0.275 1
1 19 . 6 1 1 A 3 3 LEU C C 3 176.779 177.022 -0.243 1
1 20 . 6 1 1 A 3 3 LEU CA C 3 55.226 57.914 -2.688 1
1 21 . 6 1 1 A 3 3 LEU CB C 3 42.472 42.007 0.465 1
1 25 . 6 1 1 A 3 3 LEU N N 3 122.089 125.564 -3.475 1
1 26 . 6 1 1 A 4 4 ILE H H 4 8.319 8.126 0.193 1
1 27 . 6 1 1 A 4 4 ILE HA H 4 4.167 4.230 -0.063 1
1 37 . 6 1 1 A 4 4 ILE C C 4 176.138 175.041 1.097 1
1 38 . 6 1 1 A 4 4 ILE CA C 4 60.894 60.941 -0.047 1
1 39 . 6 1 1 A 4 4 ILE CB C 4 38.595 36.647 1.948 1
1 43 . 6 1 1 A 4 4 ILE N N 4 123.468 118.798 4.670 1
1 44 . 6 1 1 A 5 5 MET H H 5 8.574 8.993 -0.419 1
1 45 . 6 1 1 A 5 5 MET HA H 5 4.584 4.632 -0.048 1
1 50 . 6 1 1 A 5 5 MET C C 5 176.274 175.444 0.830 1
1 51 . 6 1 1 A 5 5 MET CA C 5 55.348 55.295 0.053 1
1 52 . 6 1 1 A 5 5 MET CB C 5 32.961 32.593 0.368 1
1 54 . 6 1 1 A 5 5 MET N N 5 125.527 127.678 -2.151 1
1 55 . 6 1 1 A 6 6 THR H H 6 8.172 8.604 -0.432 1
1 56 . 6 1 1 A 6 6 THR HA H 6 4.331 4.969 -0.638 1
1 61 . 6 1 1 A 6 6 THR C C 6 174.578 172.589 1.989 1
1 62 . 6 1 1 A 6 6 THR CA C 6 61.849 60.795 1.054 1
1 63 . 6 1 1 A 6 6 THR CB C 6 69.904 69.994 -0.090 1
1 65 . 6 1 1 A 6 6 THR N N 6 115.487 121.480 -5.993 1
1 66 . 6 1 1 A 7 7 GLN H H 7 8.461 8.786 -0.325 1
1 67 . 6 1 1 A 7 7 GLN HA H 7 4.317 4.535 -0.218 1
1 74 . 6 1 1 A 7 7 GLN C C 7 176.108 174.722 1.386 1
1 75 . 6 1 1 A 7 7 GLN CA C 7 56.149 55.725 0.424 1
1 76 . 6 1 1 A 7 7 GLN CB C 7 29.491 31.369 -1.878 1
1 79 . 6 1 1 A 7 7 GLN N N 7 122.199 127.794 -5.595 1
1 81 . 6 1 1 A 8 8 GLN H H 8 8.418 8.716 -0.298 1
1 82 . 6 1 1 A 8 8 GLN HA H 8 4.219 3.808 0.411 1
1 89 . 6 1 1 A 8 8 GLN C C 8 175.704 174.675 1.029 1
1 90 . 6 1 1 A 8 8 GLN CA C 8 56.112 56.997 -0.885 1
1 91 . 6 1 1 A 8 8 GLN CB C 8 29.435 26.938 2.497 1
1 94 . 6 1 1 A 8 8 GLN N N 8 121.100 124.395 -3.295 1
1 96 . 6 1 1 A 9 9 ASN H H 9 8.404 7.871 0.533 1
1 97 . 6 1 1 A 9 9 ASN HA H 9 4.654 4.799 -0.145 1
1 102 . 6 1 1 A 9 9 ASN C C 9 174.445 175.024 -0.579 1
1 103 . 6 1 1 A 9 9 ASN CA C 9 53.190 53.353 -0.163 1
1 104 . 6 1 1 A 9 9 ASN CB C 9 38.913 38.739 0.174 1
1 106 . 6 1 1 A 9 9 ASN N N 9 119.104 116.879 2.225 1
1 108 . 6 1 1 A 10 10 ASN H H 10 8.306 8.835 -0.529 1
1 109 . 6 1 1 A 10 10 ASN HA H 10 4.964 5.158 -0.194 1
1 114 . 6 1 1 A 10 10 ASN C C 10 174.315 175.308 -0.993 1
1 115 . 6 1 1 A 10 10 ASN CA C 10 51.318 49.712 1.606 1
1 116 . 6 1 1 A 10 10 ASN CB C 10 38.992 38.865 0.127 1
1 118 . 6 1 1 A 10 10 ASN N N 10 119.847 122.435 -2.588 1
1 120 . 6 1 1 A 11 11 PRO HA H 11 4.427 4.310 0.117 1
1 127 . 6 1 1 A 11 11 PRO C C 11 177.095 177.390 -0.295 1
1 128 . 6 1 1 A 11 11 PRO CA C 11 64.214 64.893 -0.679 1
1 129 . 6 1 1 A 11 11 PRO CB C 11 32.355 32.117 0.238 1
1 132 . 6 1 1 A 12 12 LEU H H 12 8.102 8.099 0.003 1
1 133 . 6 1 1 A 12 12 LEU HA H 12 4.320 4.638 -0.318 1
1 143 . 6 1 1 A 12 12 LEU C C 12 177.341 176.806 0.535 1
1 144 . 6 1 1 A 12 12 LEU CA C 12 54.883 54.610 0.273 1
1 145 . 6 1 1 A 12 12 LEU CB C 12 41.300 44.219 -2.919 1
1 149 . 6 1 1 A 12 12 LEU N N 12 117.525 115.440 2.085 1
1 150 . 6 1 1 A 13 13 HIS H H 13 8.004 7.973 0.031 1
1 151 . 6 1 1 A 13 13 HIS HA H 13 4.453 4.369 0.084 1
1 154 . 6 1 1 A 13 13 HIS C C 13 175.375 175.895 -0.520 1
1 155 . 6 1 1 A 13 13 HIS CA C 13 56.796 56.703 0.093 1
1 156 . 6 1 1 A 13 13 HIS CB C 13 28.248 29.316 -1.068 1
1 157 . 6 1 1 A 13 13 HIS N N 13 117.833 120.614 -2.781 1
1 158 . 6 1 1 A 14 14 GLY H H 14 8.530 8.855 -0.325 1
1 159 . 6 1 1 A 14 14 GLY HA2 H 14 3.930 3.817 0.113 1
1 160 . 6 1 1 A 14 14 GLY HA3 H 14 3.755 3.843 -0.088 1
1 161 . 6 1 1 A 14 14 GLY C C 14 173.536 174.829 -1.293 1
1 162 . 6 1 1 A 14 14 GLY CA C 14 45.529 46.648 -1.119 1
1 163 . 6 1 1 A 14 14 GLY N N 14 110.385 112.955 -2.570 1
1 164 . 6 1 1 A 15 15 ILE H H 15 7.563 8.065 -0.502 1
1 165 . 6 1 1 A 15 15 ILE HA H 15 4.392 3.985 0.407 1
1 175 . 6 1 1 A 15 15 ILE C C 15 174.878 175.870 -0.992 1
1 176 . 6 1 1 A 15 15 ILE CA C 15 60.102 61.407 -1.305 1
1 177 . 6 1 1 A 15 15 ILE CB C 15 39.383 37.540 1.843 1
1 181 . 6 1 1 A 15 15 ILE N N 15 120.363 120.428 -0.065 1
1 182 . 6 1 1 A 16 16 THR H H 16 7.643 8.538 -0.895 1
1 183 . 6 1 1 A 16 16 THR HA H 16 4.381 4.754 -0.373 1
1 188 . 6 1 1 A 16 16 THR C C 16 174.950 175.557 -0.607 1
1 189 . 6 1 1 A 16 16 THR CA C 16 60.355 60.298 0.057 1
1 190 . 6 1 1 A 16 16 THR CB C 16 70.834 71.260 -0.426 1
1 192 . 6 1 1 A 16 16 THR N N 16 115.980 120.503 -4.523 1
1 193 . 6 1 1 A 17 17 LEU H H 17 8.712 8.902 -0.190 1
1 194 . 6 1 1 A 17 17 LEU HA H 17 4.029 4.007 0.022 1
1 204 . 6 1 1 A 17 17 LEU C C 17 178.125 177.903 0.222 1
1 205 . 6 1 1 A 17 17 LEU CA C 17 57.582 58.409 -0.827 1
1 206 . 6 1 1 A 17 17 LEU CB C 17 40.906 41.270 -0.364 1
1 210 . 6 1 1 A 17 17 LEU N N 17 123.337 123.648 -0.311 1
1 211 . 6 1 1 A 18 18 GLN H H 18 8.611 8.316 0.295 1
1 212 . 6 1 1 A 18 18 GLN HA H 18 3.774 3.981 -0.207 1
1 219 . 6 1 1 A 18 18 GLN C C 18 178.211 178.507 -0.296 1
1 220 . 6 1 1 A 18 18 GLN CA C 18 60.388 59.332 1.056 1
1 221 . 6 1 1 A 18 18 GLN CB C 18 27.809 28.223 -0.414 1
1 224 . 6 1 1 A 18 18 GLN N N 18 116.423 118.719 -2.296 1
1 226 . 6 1 1 A 19 19 LYS H H 19 7.861 7.795 0.066 1
1 227 . 6 1 1 A 19 19 LYS HA H 19 3.957 4.193 -0.236 1
1 236 . 6 1 1 A 19 19 LYS C C 19 177.806 178.465 -0.659 1
1 237 . 6 1 1 A 19 19 LYS CA C 19 59.684 58.966 0.718 1
1 238 . 6 1 1 A 19 19 LYS CB C 19 32.300 31.825 0.475 1
1 242 . 6 1 1 A 19 19 LYS N N 19 123.583 120.203 3.380 1
1 243 . 6 1 1 A 20 20 LEU H H 20 8.223 8.144 0.079 1
1 244 . 6 1 1 A 20 20 LEU HA H 20 3.418 3.295 0.123 1
1 254 . 6 1 1 A 20 20 LEU C C 20 178.417 178.130 0.287 1
1 255 . 6 1 1 A 20 20 LEU CA C 20 59.301 57.878 1.423 1
1 256 . 6 1 1 A 20 20 LEU CB C 20 41.370 41.354 0.016 1
1 260 . 6 1 1 A 20 20 LEU N N 20 121.397 120.926 0.471 1
1 261 . 6 1 1 A 21 21 LEU H H 21 8.649 8.229 0.420 1
1 262 . 6 1 1 A 21 21 LEU HA H 21 3.872 3.801 0.071 1
1 272 . 6 1 1 A 21 21 LEU C C 21 178.009 178.603 -0.594 1
1 273 . 6 1 1 A 21 21 LEU CA C 21 58.027 58.171 -0.144 1
1 274 . 6 1 1 A 21 21 LEU CB C 21 42.279 41.620 0.659 1
1 278 . 6 1 1 A 21 21 LEU N N 21 118.999 119.613 -0.614 1
1 279 . 6 1 1 A 22 22 THR H H 22 8.025 7.822 0.203 1
1 280 . 6 1 1 A 22 22 THR HA H 22 3.592 3.702 -0.110 1
1 285 . 6 1 1 A 22 22 THR C C 22 176.358 176.393 -0.035 1
1 286 . 6 1 1 A 22 22 THR CA C 22 67.879 66.734 1.145 1
1 287 . 6 1 1 A 22 22 THR CB C 22 68.717 68.614 0.103 1
1 289 . 6 1 1 A 22 22 THR N N 22 115.015 114.306 0.709 1
1 290 . 6 1 1 A 23 23 GLU H H 23 8.158 8.635 -0.477 1
1 291 . 6 1 1 A 23 23 GLU HA H 23 4.068 4.141 -0.073 1
1 296 . 6 1 1 A 23 23 GLU C C 23 180.091 179.668 0.423 1
1 297 . 6 1 1 A 23 23 GLU CA C 23 59.845 59.688 0.157 1
1 298 . 6 1 1 A 23 23 GLU CB C 23 29.101 29.545 -0.444 1
1 300 . 6 1 1 A 23 23 GLU N N 23 120.691 119.648 1.043 1
1 301 . 6 1 1 A 24 24 LEU H H 24 8.121 7.776 0.345 1
1 302 . 6 1 1 A 24 24 LEU HA H 24 4.140 4.341 -0.201 1
1 312 . 6 1 1 A 24 24 LEU C C 24 179.047 178.987 0.060 1
1 313 . 6 1 1 A 24 24 LEU CA C 24 58.438 58.055 0.383 1
1 314 . 6 1 1 A 24 24 LEU CB C 24 42.715 41.810 0.905 1
1 318 . 6 1 1 A 24 24 LEU N N 24 119.210 120.643 -1.433 1
1 319 . 6 1 1 A 25 25 VAL H H 25 8.577 8.087 0.490 1
1 320 . 6 1 1 A 25 25 VAL HA H 25 2.698 3.121 -0.423 1
1 328 . 6 1 1 A 25 25 VAL C C 25 179.143 177.947 1.196 1
1 329 . 6 1 1 A 25 25 VAL CA C 25 67.077 66.721 0.356 1
1 330 . 6 1 1 A 25 25 VAL CB C 25 31.127 30.914 0.213 1
1 333 . 6 1 1 A 25 25 VAL N N 25 122.036 118.573 3.463 1
1 334 . 6 1 1 A 26 26 GLU H H 26 8.216 8.184 0.032 1
1 335 . 6 1 1 A 26 26 GLU HA H 26 3.858 3.993 -0.135 1
1 340 . 6 1 1 A 26 26 GLU C C 26 177.409 177.936 -0.527 1
1 341 . 6 1 1 A 26 26 GLU CA C 26 59.105 58.781 0.324 1
1 342 . 6 1 1 A 26 26 GLU CB C 26 29.025 29.633 -0.608 1
1 344 . 6 1 1 A 26 26 GLU N N 26 119.262 118.994 0.268 1
1 345 . 6 1 1 A 27 27 HIS H H 27 7.815 7.914 -0.099 1
1 346 . 6 1 1 A 27 27 HIS HA H 27 4.183 4.326 -0.143 1
1 349 . 6 1 1 A 27 27 HIS C C 27 175.618 175.289 0.329 1
1 350 . 6 1 1 A 27 27 HIS CA C 27 58.932 56.947 1.985 1
1 351 . 6 1 1 A 27 27 HIS CB C 27 29.358 30.424 -1.066 1
1 352 . 6 1 1 A 27 27 HIS N N 27 114.100 117.688 -3.588 1
1 353 . 6 1 1 A 28 28 TYR H H 28 8.628 7.992 0.636 1
1 354 . 6 1 1 A 28 28 TYR HA H 28 4.424 4.581 -0.157 1
1 361 . 6 1 1 A 28 28 TYR C C 28 177.445 176.167 1.278 1
1 362 . 6 1 1 A 28 28 TYR CA C 28 60.294 59.162 1.132 1
1 363 . 6 1 1 A 28 28 TYR CB C 28 40.851 40.806 0.045 1
1 368 . 6 1 1 A 28 28 TYR N N 28 113.706 115.602 -1.896 1
1 369 . 6 1 1 A 29 29 GLY H H 29 7.713 7.786 -0.073 1
1 370 . 6 1 1 A 29 29 GLY HA2 H 29 4.366 3.959 0.407 1
1 371 . 6 1 1 A 29 29 GLY HA3 H 29 3.846 4.076 -0.230 1
1 372 . 6 1 1 A 29 29 GLY C C 29 172.549 175.176 -2.627 1
1 373 . 6 1 1 A 29 29 GLY CA C 29 44.258 44.393 -0.135 1
1 374 . 6 1 1 A 29 29 GLY N N 29 107.840 105.723 2.117 1
1 375 . 6 1 1 A 30 30 TRP H H 30 7.960 8.716 -0.756 1
1 376 . 6 1 1 A 30 30 TRP HA H 30 4.136 4.194 -0.058 1
1 385 . 6 1 1 A 30 30 TRP C C 30 178.090 178.776 -0.686 1
1 386 . 6 1 1 A 30 30 TRP CA C 30 60.502 60.340 0.162 1
1 387 . 6 1 1 A 30 30 TRP CB C 30 30.304 29.324 0.980 1
1 393 . 6 1 1 A 30 30 TRP N N 30 118.175 121.975 -3.800 1
1 395 . 6 1 1 A 31 31 GLU H H 31 8.549 8.313 0.236 1
1 396 . 6 1 1 A 31 31 GLU HA H 31 3.992 4.059 -0.067 1
1 401 . 6 1 1 A 31 31 GLU C C 31 179.942 179.492 0.450 1
1 402 . 6 1 1 A 31 31 GLU CA C 31 60.090 59.646 0.444 1
1 403 . 6 1 1 A 31 31 GLU CB C 31 28.474 29.314 -0.840 1
1 405 . 6 1 1 A 31 31 GLU N N 31 118.099 119.733 -1.634 1
1 406 . 6 1 1 A 32 32 GLU H H 32 8.962 8.327 0.635 1
1 407 . 6 1 1 A 32 32 GLU HA H 32 4.137 4.141 -0.004 1
1 412 . 6 1 1 A 32 32 GLU C C 32 179.651 179.319 0.332 1
1 413 . 6 1 1 A 32 32 GLU CA C 32 58.745 59.048 -0.303 1
1 414 . 6 1 1 A 32 32 GLU CB C 32 28.145 29.718 -1.573 1
1 416 . 6 1 1 A 32 32 GLU N N 32 120.094 120.016 0.078 1
1 417 . 6 1 1 A 33 33 LEU H H 33 7.748 8.089 -0.341 1
1 418 . 6 1 1 A 33 33 LEU HA H 33 3.922 3.979 -0.057 1
1 428 . 6 1 1 A 33 33 LEU C C 33 178.833 178.846 -0.013 1
1 429 . 6 1 1 A 33 33 LEU CA C 33 58.577 57.733 0.844 1
1 430 . 6 1 1 A 33 33 LEU CB C 33 41.269 41.316 -0.047 1
1 434 . 6 1 1 A 33 33 LEU N N 33 118.890 121.129 -2.239 1
1 435 . 6 1 1 A 34 34 SER H H 34 8.607 8.506 0.101 1
1 436 . 6 1 1 A 34 34 SER HA H 34 4.642 4.686 -0.044 1
1 439 . 6 1 1 A 34 34 SER C C 34 175.346 176.887 -1.541 1
1 440 . 6 1 1 A 34 34 SER CA C 34 61.247 61.087 0.160 1
1 441 . 6 1 1 A 34 34 SER CB C 34 63.043 62.961 0.082 1
1 442 . 6 1 1 A 34 34 SER N N 34 114.464 113.289 1.175 1
1 443 . 6 1 1 A 35 35 TYR H H 35 7.395 8.006 -0.611 1
1 444 . 6 1 1 A 35 35 TYR HA H 35 4.537 4.265 0.272 1
1 451 . 6 1 1 A 35 35 TYR C C 35 177.940 177.695 0.245 1
1 452 . 6 1 1 A 35 35 TYR CA C 35 58.907 60.178 -1.271 1
1 453 . 6 1 1 A 35 35 TYR CB C 35 37.852 38.854 -1.002 1
1 458 . 6 1 1 A 35 35 TYR N N 35 120.804 123.115 -2.311 1
1 459 . 6 1 1 A 36 36 MET H H 36 7.840 7.902 -0.062 1
1 460 . 6 1 1 A 36 36 MET HA H 36 4.158 4.547 -0.389 1
1 468 . 6 1 1 A 36 36 MET C C 36 177.049 175.875 1.174 1
1 469 . 6 1 1 A 36 36 MET CA C 36 58.684 58.334 0.350 1
1 470 . 6 1 1 A 36 36 MET CB C 36 34.927 33.784 1.143 1
1 473 . 6 1 1 A 36 36 MET N N 36 118.425 116.782 1.643 1
1 474 . 6 1 1 A 37 37 VAL H H 37 8.469 8.292 0.177 1
1 475 . 6 1 1 A 37 37 VAL HA H 37 4.265 4.282 -0.017 1
1 483 . 6 1 1 A 37 37 VAL C C 37 173.959 175.646 -1.687 1
1 484 . 6 1 1 A 37 37 VAL CA C 37 61.621 61.740 -0.119 1
1 485 . 6 1 1 A 37 37 VAL CB C 37 32.527 32.290 0.237 1
1 488 . 6 1 1 A 37 37 VAL N N 37 117.997 118.774 -0.777 1
1 489 . 6 1 1 A 38 38 ASN H H 38 8.677 8.917 -0.240 1
1 490 . 6 1 1 A 38 38 ASN HA H 38 4.948 4.835 0.113 1
1 495 . 6 1 1 A 38 38 ASN C C 38 174.710 173.957 0.753 1
1 496 . 6 1 1 A 38 38 ASN CA C 38 53.444 53.092 0.352 1
1 497 . 6 1 1 A 38 38 ASN CB C 38 37.001 37.422 -0.421 1
1 499 . 6 1 1 A 38 38 ASN N N 38 123.121 126.222 -3.101 1
1 501 . 6 1 1 A 39 39 ILE H H 39 7.744 7.824 -0.080 1
1 502 . 6 1 1 A 39 39 ILE HA H 39 4.655 4.597 0.058 1
1 512 . 6 1 1 A 39 39 ILE C C 39 176.996 175.647 1.349 1
1 513 . 6 1 1 A 39 39 ILE CA C 39 59.201 59.279 -0.078 1
1 514 . 6 1 1 A 39 39 ILE CB C 39 40.558 39.617 0.941 1
1 518 . 6 1 1 A 39 39 ILE N N 39 115.722 117.349 -1.627 1
1 519 . 6 1 1 A 40 40 ASN H H 40 8.881 9.027 -0.146 1
1 520 . 6 1 1 A 40 40 ASN HA H 40 4.192 4.293 -0.101 1
1 525 . 6 1 1 A 40 40 ASN C C 40 177.705 176.998 0.707 1
1 526 . 6 1 1 A 40 40 ASN CA C 40 56.883 55.244 1.639 1
1 527 . 6 1 1 A 40 40 ASN CB C 40 38.313 38.426 -0.113 1
1 529 . 6 1 1 A 40 40 ASN N N 40 124.600 122.274 2.326 1
1 531 . 6 1 1 A 41 41 CYS H H 41 8.034 8.049 -0.015 1
1 532 . 6 1 1 A 41 41 CYS HA H 41 4.373 4.050 0.323 1
1 535 . 6 1 1 A 41 41 CYS C C 41 174.303 176.355 -2.052 1
1 536 . 6 1 1 A 41 41 CYS CA C 41 59.164 61.399 -2.235 1
1 537 . 6 1 1 A 41 41 CYS CB C 41 26.126 26.704 -0.578 1
1 538 . 6 1 1 A 41 41 CYS N N 41 115.097 116.372 -1.275 1
1 539 . 6 1 1 A 42 42 PHE H H 42 7.031 7.160 -0.129 1
1 540 . 6 1 1 A 42 42 PHE HA H 42 4.937 4.243 0.694 1
1 548 . 6 1 1 A 42 42 PHE C C 42 174.437 177.860 -3.423 1
1 549 . 6 1 1 A 42 42 PHE CA C 42 54.439 61.357 -6.918 1
1 550 . 6 1 1 A 42 42 PHE CB C 42 38.059 38.610 -0.551 1
1 556 . 6 1 1 A 42 42 PHE N N 42 117.304 118.303 -0.999 1
1 557 . 6 1 1 A 43 43 LYS H H 43 7.371 7.704 -0.333 1
1 558 . 6 1 1 A 43 43 LYS HA H 43 4.304 4.294 0.010 1
1 567 . 6 1 1 A 43 43 LYS C C 43 175.800 177.215 -1.415 1
1 568 . 6 1 1 A 43 43 LYS CA C 43 57.474 57.790 -0.316 1
1 569 . 6 1 1 A 43 43 LYS CB C 43 34.978 33.454 1.524 1
1 573 . 6 1 1 A 43 43 LYS N N 43 116.029 117.817 -1.788 1
1 574 . 6 1 1 A 44 44 LYS H H 44 7.593 8.042 -0.449 1
1 575 . 6 1 1 A 44 44 LYS HA H 44 4.302 4.108 0.194 1
1 584 . 6 1 1 A 44 44 LYS C C 44 173.608 176.134 -2.526 1
1 585 . 6 1 1 A 44 44 LYS CA C 44 55.169 56.257 -1.088 1
1 586 . 6 1 1 A 44 44 LYS CB C 44 33.123 33.249 -0.126 1
1 590 . 6 1 1 A 44 44 LYS N N 44 119.851 119.625 0.226 1
1 591 . 6 1 1 A 45 45 ASP H H 45 8.774 8.999 -0.225 1
1 592 . 6 1 1 A 45 45 ASP HA H 45 4.200 4.166 0.034 1
1 595 . 6 1 1 A 45 45 ASP C C 45 172.128 175.073 -2.945 1
1 596 . 6 1 1 A 45 45 ASP CA C 45 53.963 54.779 -0.816 1
1 597 . 6 1 1 A 45 45 ASP CB C 45 40.263 39.300 0.963 1
1 598 . 6 1 1 A 45 45 ASP N N 45 122.276 126.128 -3.852 1
1 599 . 6 1 1 A 46 46 PRO HA H 46 3.930 3.799 0.131 1
1 606 . 6 1 1 A 46 46 PRO C C 46 176.968 175.505 1.463 1
1 607 . 6 1 1 A 46 46 PRO CA C 46 62.964 61.967 0.997 1
1 608 . 6 1 1 A 46 46 PRO CB C 46 30.892 28.386 2.506 1
1 611 . 6 1 1 A 47 47 SER H H 47 8.018 7.994 0.024 1
1 612 . 6 1 1 A 47 47 SER HA H 47 4.676 4.662 0.014 1
1 615 . 6 1 1 A 47 47 SER C C 47 175.465 175.410 0.055 1
1 616 . 6 1 1 A 47 47 SER CA C 47 57.014 58.571 -1.557 1
1 617 . 6 1 1 A 47 47 SER CB C 47 66.436 64.566 1.870 1
1 618 . 6 1 1 A 47 47 SER N N 47 112.273 117.611 -5.338 1
1 619 . 6 1 1 A 48 48 ILE H H 48 9.489 8.884 0.605 1
1 620 . 6 1 1 A 48 48 ILE HA H 48 4.013 4.013 0.000 1
1 630 . 6 1 1 A 48 48 ILE C C 48 177.681 177.438 0.243 1
1 631 . 6 1 1 A 48 48 ILE CA C 48 64.456 65.810 -1.354 1
1 632 . 6 1 1 A 48 48 ILE CB C 48 36.382 38.207 -1.825 1
1 636 . 6 1 1 A 48 48 ILE N N 48 126.826 124.965 1.861 1
1 637 . 6 1 1 A 49 49 LYS H H 49 8.735 8.242 0.493 1
1 638 . 6 1 1 A 49 49 LYS HA H 49 3.984 3.979 0.005 1
1 647 . 6 1 1 A 49 49 LYS C C 49 179.784 179.568 0.216 1
1 648 . 6 1 1 A 49 49 LYS CA C 49 60.562 59.498 1.064 1
1 649 . 6 1 1 A 49 49 LYS CB C 49 32.533 32.006 0.527 1
1 653 . 6 1 1 A 49 49 LYS N N 49 118.592 120.813 -2.221 1
1 654 . 6 1 1 A 50 50 SER H H 50 8.065 8.158 -0.093 1
1 655 . 6 1 1 A 50 50 SER HA H 50 4.270 4.161 0.109 1
1 658 . 6 1 1 A 50 50 SER C C 50 178.135 176.329 1.806 1
1 659 . 6 1 1 A 50 50 SER CA C 50 61.431 61.937 -0.506 1
1 660 . 6 1 1 A 50 50 SER CB C 50 62.672 62.858 -0.186 1
1 661 . 6 1 1 A 50 50 SER N N 50 114.354 116.793 -2.439 1
1 662 . 6 1 1 A 51 51 SER H H 51 8.300 8.600 -0.300 1
1 663 . 6 1 1 A 51 51 SER HA H 51 4.681 4.384 0.297 1
1 666 . 6 1 1 A 51 51 SER C C 51 176.245 177.586 -1.341 1
1 667 . 6 1 1 A 51 51 SER CA C 51 63.327 61.832 1.495 1
1 668 . 6 1 1 A 51 51 SER CB C 51 64.340 62.823 1.517 1
1 669 . 6 1 1 A 51 51 SER N N 51 120.855 116.642 4.213 1
1 670 . 6 1 1 A 52 52 LEU H H 52 8.849 8.709 0.140 1
1 671 . 6 1 1 A 52 52 LEU HA H 52 3.902 4.026 -0.124 1
1 681 . 6 1 1 A 52 52 LEU C C 52 178.339 178.733 -0.394 1
1 682 . 6 1 1 A 52 52 LEU CA C 52 58.600 58.281 0.319 1
1 683 . 6 1 1 A 52 52 LEU CB C 52 41.685 41.547 0.138 1
1 687 . 6 1 1 A 52 52 LEU N N 52 122.627 123.328 -0.701 1
1 688 . 6 1 1 A 53 53 LYS H H 53 7.268 8.293 -1.025 1
1 689 . 6 1 1 A 53 53 LYS HA H 53 3.957 3.899 0.058 1
1 698 . 6 1 1 A 53 53 LYS C C 53 178.750 178.888 -0.138 1
1 699 . 6 1 1 A 53 53 LYS CA C 53 59.867 59.931 -0.064 1
1 700 . 6 1 1 A 53 53 LYS CB C 53 32.475 32.158 0.317 1
1 704 . 6 1 1 A 53 53 LYS N N 53 117.100 120.289 -3.189 1
1 705 . 6 1 1 A 54 54 PHE H H 54 7.388 7.927 -0.539 1
1 706 . 6 1 1 A 54 54 PHE HA H 54 4.167 4.087 0.080 1
1 714 . 6 1 1 A 54 54 PHE C C 54 178.975 177.134 1.841 1
1 715 . 6 1 1 A 54 54 PHE CA C 54 61.515 61.330 0.185 1
1 716 . 6 1 1 A 54 54 PHE CB C 54 39.619 39.386 0.233 1
1 722 . 6 1 1 A 54 54 PHE N N 54 117.704 121.186 -3.482 1
1 723 . 6 1 1 A 55 55 LEU H H 55 9.142 8.497 0.645 1
1 724 . 6 1 1 A 55 55 LEU HA H 55 3.720 3.996 -0.276 1
1 734 . 6 1 1 A 55 55 LEU C C 55 178.763 179.505 -0.742 1
1 735 . 6 1 1 A 55 55 LEU CA C 55 57.656 56.870 0.786 1
1 736 . 6 1 1 A 55 55 LEU CB C 55 42.837 41.509 1.328 1
1 740 . 6 1 1 A 55 55 LEU N N 55 120.396 118.467 1.929 1
1 741 . 6 1 1 A 56 56 ARG H H 56 8.338 7.995 0.343 1
1 742 . 6 1 1 A 56 56 ARG HA H 56 3.855 4.088 -0.233 1
1 750 . 6 1 1 A 56 56 ARG C C 56 176.697 179.109 -2.412 1
1 751 . 6 1 1 A 56 56 ARG CA C 56 59.452 59.432 0.020 1
1 752 . 6 1 1 A 56 56 ARG CB C 56 30.239 30.448 -0.209 1
1 755 . 6 1 1 A 56 56 ARG N N 56 116.866 119.650 -2.784 1
1 757 . 6 1 1 A 57 57 LYS H H 57 6.770 7.877 -1.107 1
1 758 . 6 1 1 A 57 57 LYS HA H 57 4.542 4.130 0.412 1
1 767 . 6 1 1 A 57 57 LYS C C 57 176.148 176.114 0.034 1
1 768 . 6 1 1 A 57 57 LYS CA C 57 55.545 58.247 -2.702 1
1 769 . 6 1 1 A 57 57 LYS CB C 57 33.805 32.229 1.576 1
1 773 . 6 1 1 A 57 57 LYS N N 57 113.205 117.709 -4.504 1
1 774 . 6 1 1 A 58 58 THR H H 58 6.908 7.260 -0.352 1
1 775 . 6 1 1 A 58 58 THR HA H 58 4.212 4.571 -0.359 1
1 780 . 6 1 1 A 58 58 THR C C 58 173.643 174.279 -0.636 1
1 781 . 6 1 1 A 58 58 THR CA C 58 60.688 59.469 1.219 1
1 782 . 6 1 1 A 58 58 THR CB C 58 67.557 70.799 -3.242 1
1 784 . 6 1 1 A 58 58 THR N N 58 117.915 109.925 7.990 1
1 785 . 6 1 1 A 59 59 ASP H H 59 8.789 9.125 -0.336 1
1 786 . 6 1 1 A 59 59 ASP HA H 59 4.128 4.421 -0.293 1
1 789 . 6 1 1 A 59 59 ASP C C 59 178.565 178.503 0.062 1
1 790 . 6 1 1 A 59 59 ASP CA C 59 58.506 56.807 1.699 1
1 791 . 6 1 1 A 59 59 ASP CB C 59 39.530 41.373 -1.843 1
1 792 . 6 1 1 A 59 59 ASP N N 59 128.511 123.001 5.510 1
1 793 . 6 1 1 A 60 60 TRP H H 60 8.638 8.434 0.204 1
1 794 . 6 1 1 A 60 60 TRP HA H 60 4.375 4.456 -0.081 1
1 803 . 6 1 1 A 60 60 TRP C C 60 178.277 178.865 -0.588 1
1 804 . 6 1 1 A 60 60 TRP CA C 60 59.183 60.529 -1.346 1
1 805 . 6 1 1 A 60 60 TRP CB C 60 26.962 28.294 -1.332 1
1 811 . 6 1 1 A 60 60 TRP N N 60 117.515 119.201 -1.686 1
1 813 . 6 1 1 A 61 61 ALA H H 61 5.533 7.291 -1.758 1
1 814 . 6 1 1 A 61 61 ALA HA H 61 3.414 3.450 -0.036 1
1 818 . 6 1 1 A 61 61 ALA C C 61 177.616 179.479 -1.863 1
1 819 . 6 1 1 A 61 61 ALA CA C 61 54.478 54.868 -0.390 1
1 820 . 6 1 1 A 61 61 ALA CB C 61 17.904 17.764 0.140 1
1 821 . 6 1 1 A 61 61 ALA N N 61 125.465 123.661 1.804 1
1 822 . 6 1 1 A 62 62 ARG H H 62 7.811 7.727 0.084 1
1 823 . 6 1 1 A 62 62 ARG HA H 62 3.617 4.006 -0.389 1
1 831 . 6 1 1 A 62 62 ARG C C 62 177.918 178.477 -0.559 1
1 832 . 6 1 1 A 62 62 ARG CA C 62 60.708 59.510 1.198 1
1 833 . 6 1 1 A 62 62 ARG CB C 62 29.156 29.821 -0.665 1
1 836 . 6 1 1 A 62 62 ARG N N 62 120.420 118.684 1.736 1
1 838 . 6 1 1 A 63 63 GLU H H 63 8.412 8.503 -0.091 1
1 839 . 6 1 1 A 63 63 GLU HA H 63 4.041 4.005 0.036 1
1 844 . 6 1 1 A 63 63 GLU C C 63 178.935 179.350 -0.415 1
1 845 . 6 1 1 A 63 63 GLU CA C 63 59.509 59.495 0.014 1
1 846 . 6 1 1 A 63 63 GLU CB C 63 28.759 29.229 -0.470 1
1 848 . 6 1 1 A 63 63 GLU N N 63 117.144 117.494 -0.350 1
1 849 . 6 1 1 A 64 64 ARG H H 64 7.603 7.756 -0.153 1
1 850 . 6 1 1 A 64 64 ARG HA H 64 4.256 4.109 0.147 1
1 858 . 6 1 1 A 64 64 ARG C C 64 179.133 178.701 0.432 1
1 859 . 6 1 1 A 64 64 ARG CA C 64 59.340 59.175 0.165 1
1 860 . 6 1 1 A 64 64 ARG CB C 64 30.067 29.889 0.178 1
1 863 . 6 1 1 A 64 64 ARG N N 64 118.298 119.935 -1.637 1
1 865 . 6 1 1 A 65 65 VAL H H 65 8.065 7.949 0.116 1
1 866 . 6 1 1 A 65 65 VAL HA H 65 3.713 3.491 0.222 1
1 874 . 6 1 1 A 65 65 VAL C C 65 177.638 177.604 0.034 1
1 875 . 6 1 1 A 65 65 VAL CA C 65 66.891 66.579 0.312 1
1 876 . 6 1 1 A 65 65 VAL CB C 65 31.480 31.546 -0.066 1
1 879 . 6 1 1 A 65 65 VAL N N 65 117.270 120.186 -2.916 1
1 880 . 6 1 1 A 66 66 GLU H H 66 8.583 8.511 0.072 1
1 881 . 6 1 1 A 66 66 GLU HA H 66 3.912 3.990 -0.078 1
1 886 . 6 1 1 A 66 66 GLU C C 66 178.380 179.455 -1.075 1
1 887 . 6 1 1 A 66 66 GLU CA C 66 60.256 59.739 0.517 1
1 888 . 6 1 1 A 66 66 GLU CB C 66 28.691 29.253 -0.562 1
1 890 . 6 1 1 A 66 66 GLU N N 66 119.924 118.962 0.962 1
1 891 . 6 1 1 A 67 67 ASN H H 67 8.267 8.334 -0.067 1
1 892 . 6 1 1 A 67 67 ASN HA H 67 4.567 4.558 0.009 1
1 897 . 6 1 1 A 67 67 ASN C C 67 178.338 178.186 0.152 1
1 898 . 6 1 1 A 67 67 ASN CA C 67 56.900 56.380 0.520 1
1 899 . 6 1 1 A 67 67 ASN CB C 67 38.802 37.987 0.815 1
1 901 . 6 1 1 A 67 67 ASN N N 67 117.574 117.977 -0.403 1
1 903 . 6 1 1 A 68 68 ILE H H 68 8.132 7.739 0.393 1
1 904 . 6 1 1 A 68 68 ILE HA H 68 3.726 3.592 0.134 1
1 914 . 6 1 1 A 68 68 ILE C C 68 178.722 178.013 0.709 1
1 915 . 6 1 1 A 68 68 ILE CA C 68 65.388 65.477 -0.089 1
1 916 . 6 1 1 A 68 68 ILE CB C 68 37.841 37.560 0.281 1
1 920 . 6 1 1 A 68 68 ILE N N 68 121.125 119.928 1.197 1
1 921 . 6 1 1 A 69 69 TYR H H 69 8.146 8.325 -0.179 1
1 922 . 6 1 1 A 69 69 TYR HA H 69 4.058 4.086 -0.028 1
1 929 . 6 1 1 A 69 69 TYR C C 69 177.061 177.640 -0.579 1
1 930 . 6 1 1 A 69 69 TYR CA C 69 62.828 61.544 1.284 1
1 931 . 6 1 1 A 69 69 TYR CB C 69 38.747 38.658 0.089 1
1 936 . 6 1 1 A 69 69 TYR N N 69 121.378 121.489 -0.111 1
1 937 . 6 1 1 A 70 70 LEU H H 70 8.630 8.532 0.098 1
1 938 . 6 1 1 A 70 70 LEU HA H 70 3.875 3.789 0.086 1
1 948 . 6 1 1 A 70 70 LEU C C 70 179.755 179.236 0.519 1
1 949 . 6 1 1 A 70 70 LEU CA C 70 58.230 58.036 0.194 1
1 950 . 6 1 1 A 70 70 LEU CB C 70 41.733 41.364 0.369 1
1 954 . 6 1 1 A 70 70 LEU N N 70 120.179 119.481 0.698 1
1 955 . 6 1 1 A 71 71 LYS H H 71 7.950 8.034 -0.084 1
1 956 . 6 1 1 A 71 71 LYS HA H 71 3.957 3.967 -0.010 1
1 965 . 6 1 1 A 71 71 LYS C C 71 178.961 178.897 0.064 1
1 966 . 6 1 1 A 71 71 LYS CA C 71 59.684 59.994 -0.310 1
1 967 . 6 1 1 A 71 71 LYS CB C 71 32.421 31.898 0.523 1
1 971 . 6 1 1 A 71 71 LYS N N 71 118.820 120.394 -1.574 1
1 972 . 6 1 1 A 72 72 LEU H H 72 7.731 7.812 -0.081 1
1 973 . 6 1 1 A 72 72 LEU HA H 72 4.037 4.103 -0.066 1
1 983 . 6 1 1 A 72 72 LEU C C 72 178.533 178.649 -0.116 1
1 984 . 6 1 1 A 72 72 LEU CA C 72 57.352 57.883 -0.531 1
1 985 . 6 1 1 A 72 72 LEU CB C 72 41.406 41.816 -0.410 1
1 989 . 6 1 1 A 72 72 LEU N N 72 121.367 120.900 0.467 1
1 990 . 6 1 1 A 73 73 GLN H H 73 7.884 7.988 -0.104 1
1 991 . 6 1 1 A 73 73 GLN HA H 73 3.852 4.120 -0.268 1
1 998 . 6 1 1 A 73 73 GLN C C 73 177.679 177.196 0.483 1
1 999 . 6 1 1 A 73 73 GLN CA C 73 57.026 57.538 -0.512 1
1 1000 . 6 1 1 A 73 73 GLN CB C 73 28.148 28.326 -0.178 1
1 1003 . 6 1 1 A 73 73 GLN N N 73 116.639 117.981 -1.342 1
1 1005 . 6 1 1 A 74 74 ARG H H 74 7.725 7.907 -0.182 1
1 1006 . 6 1 1 A 74 74 ARG HA H 74 4.136 4.186 -0.050 1
1 1013 . 6 1 1 A 74 74 ARG C C 74 177.235 177.919 -0.684 1
1 1014 . 6 1 1 A 74 74 ARG CA C 74 57.452 57.623 -0.171 1
1 1015 . 6 1 1 A 74 74 ARG CB C 74 30.308 29.882 0.426 1
1 1018 . 6 1 1 A 74 74 ARG N N 74 118.122 120.118 -1.996 1
1 1019 . 6 1 1 A 75 75 HIS H H 75 7.982 8.031 -0.049 1
1 1020 . 6 1 1 A 75 75 HIS HA H 75 4.564 4.373 0.191 1
1 1023 . 6 1 1 A 75 75 HIS C C 75 175.202 174.603 0.599 1
1 1024 . 6 1 1 A 75 75 HIS CA C 75 56.587 58.316 -1.729 1
1 1025 . 6 1 1 A 75 75 HIS CB C 75 28.477 30.801 -2.324 1
1 1026 . 6 1 1 A 75 75 HIS N N 75 117.995 119.768 -1.773 1
1 1027 . 6 1 1 A 76 76 LYS H H 76 8.180 7.756 0.424 1
1 1028 . 6 1 1 A 76 76 LYS HA H 76 4.148 4.460 -0.312 1
1 1037 . 6 1 1 A 76 76 LYS C C 76 177.303 175.545 1.758 1
1 1038 . 6 1 1 A 76 76 LYS CA C 76 57.550 55.299 2.251 1
1 1039 . 6 1 1 A 76 76 LYS CB C 76 32.789 33.615 -0.826 1
1 1043 . 6 1 1 A 76 76 LYS N N 76 121.510 115.287 6.223 1
1 1044 . 6 1 1 A 77 77 GLU H H 77 8.321 8.573 -0.252 1
1 1045 . 6 1 1 A 77 77 GLU HA H 77 4.224 4.323 -0.099 1
1 1050 . 6 1 1 A 77 77 GLU C C 77 177.067 175.868 1.199 1
1 1051 . 6 1 1 A 77 77 GLU CA C 77 56.991 56.686 0.305 1
1 1052 . 6 1 1 A 77 77 GLU CB C 77 29.841 29.919 -0.078 1
1 1054 . 6 1 1 A 77 77 GLU N N 77 120.860 126.226 -5.366 1
1 1055 . 6 1 1 A 78 78 ARG H H 78 8.228 8.672 -0.444 1
1 1056 . 6 1 1 A 78 78 ARG HA H 78 4.240 4.989 -0.749 1
1 1063 . 6 1 1 A 78 78 ARG C C 78 176.577 174.880 1.697 1
1 1064 . 6 1 1 A 78 78 ARG CA C 78 56.786 54.600 2.186 1
1 1065 . 6 1 1 A 78 78 ARG CB C 78 30.413 31.789 -1.376 1
1 1068 . 6 1 1 A 78 78 ARG N N 78 121.081 125.208 -4.127 1
1 1069 . 6 1 1 A 79 79 ASN H H 79 8.333 8.626 -0.293 1
1 1070 . 6 1 1 A 79 79 ASN HA H 79 4.617 5.009 -0.392 1
1 1075 . 6 1 1 A 79 79 ASN C C 79 175.605 174.435 1.170 1
1 1076 . 6 1 1 A 79 79 ASN CA C 79 53.938 52.031 1.907 1
1 1077 . 6 1 1 A 79 79 ASN CB C 79 38.748 40.491 -1.743 1
1 1079 . 6 1 1 A 79 79 ASN N N 79 118.880 121.125 -2.245 1
1 1081 . 6 1 1 A 80 80 GLN H H 80 8.285 9.227 -0.942 1
1 1082 . 6 1 1 A 80 80 GLN HA H 80 4.253 3.949 0.304 1
1 1089 . 6 1 1 A 80 80 GLN C C 80 176.304 174.835 1.469 1
1 1090 . 6 1 1 A 80 80 GLN CA C 80 56.545 56.759 -0.214 1
1 1091 . 6 1 1 A 80 80 GLN CB C 80 29.274 27.496 1.778 1
1 1094 . 6 1 1 A 80 80 GLN N N 80 120.222 118.819 1.403 1
1 1096 . 6 1 1 A 81 81 LEU H H 81 8.130 8.317 -0.187 1
1 1097 . 6 1 1 A 81 81 LEU HA H 81 4.222 3.989 0.233 1
1 1107 . 6 1 1 A 81 81 LEU C C 81 177.542 176.510 1.032 1
1 1108 . 6 1 1 A 81 81 LEU CA C 81 55.736 55.305 0.431 1
1 1109 . 6 1 1 A 81 81 LEU CB C 81 42.196 40.787 1.409 1
1 1113 . 6 1 1 A 81 81 LEU N N 81 122.119 112.568 9.551 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.081 5.248 -1.167 1
1 5 . 7 1 1 A 2 2 ALA C C 2 173.423 175.990 -2.567 1
1 6 . 7 1 1 A 2 2 ALA CA C 2 51.798 50.492 1.306 1
1 7 . 7 1 1 A 2 2 ALA CB C 2 19.502 21.834 -2.332 1
1 8 . 7 1 1 A 3 3 LEU H H 3 8.547 8.830 -0.283 1
1 9 . 7 1 1 A 3 3 LEU HA H 3 4.394 5.005 -0.611 1
1 19 . 7 1 1 A 3 3 LEU C C 3 176.779 174.926 1.853 1
1 20 . 7 1 1 A 3 3 LEU CA C 3 55.226 53.553 1.673 1
1 21 . 7 1 1 A 3 3 LEU CB C 3 42.472 45.630 -3.158 1
1 25 . 7 1 1 A 3 3 LEU N N 3 122.089 120.871 1.218 1
1 26 . 7 1 1 A 4 4 ILE H H 4 8.319 8.572 -0.253 1
1 27 . 7 1 1 A 4 4 ILE HA H 4 4.167 4.540 -0.373 1
1 37 . 7 1 1 A 4 4 ILE C C 4 176.138 174.675 1.463 1
1 38 . 7 1 1 A 4 4 ILE CA C 4 60.894 61.021 -0.127 1
1 39 . 7 1 1 A 4 4 ILE CB C 4 38.595 39.165 -0.570 1
1 43 . 7 1 1 A 4 4 ILE N N 4 123.468 124.497 -1.029 1
1 44 . 7 1 1 A 5 5 MET H H 5 8.574 9.000 -0.426 1
1 45 . 7 1 1 A 5 5 MET HA H 5 4.584 4.989 -0.405 1
1 50 . 7 1 1 A 5 5 MET C C 5 176.274 174.854 1.420 1
1 51 . 7 1 1 A 5 5 MET CA C 5 55.348 53.864 1.484 1
1 52 . 7 1 1 A 5 5 MET CB C 5 32.961 33.673 -0.712 1
1 54 . 7 1 1 A 5 5 MET N N 5 125.527 130.135 -4.608 1
1 55 . 7 1 1 A 6 6 THR H H 6 8.172 9.352 -1.180 1
1 56 . 7 1 1 A 6 6 THR HA H 6 4.331 4.802 -0.471 1
1 61 . 7 1 1 A 6 6 THR C C 6 174.578 173.311 1.267 1
1 62 . 7 1 1 A 6 6 THR CA C 6 61.849 61.582 0.267 1
1 63 . 7 1 1 A 6 6 THR CB C 6 69.904 70.020 -0.116 1
1 65 . 7 1 1 A 6 6 THR N N 6 115.487 120.835 -5.348 1
1 66 . 7 1 1 A 7 7 GLN H H 7 8.461 8.581 -0.120 1
1 67 . 7 1 1 A 7 7 GLN HA H 7 4.317 4.529 -0.212 1
1 74 . 7 1 1 A 7 7 GLN C C 7 176.108 175.145 0.963 1
1 75 . 7 1 1 A 7 7 GLN CA C 7 56.149 55.388 0.761 1
1 76 . 7 1 1 A 7 7 GLN CB C 7 29.491 27.889 1.602 1
1 79 . 7 1 1 A 7 7 GLN N N 7 122.199 126.203 -4.004 1
1 81 . 7 1 1 A 8 8 GLN H H 8 8.418 8.467 -0.049 1
1 82 . 7 1 1 A 8 8 GLN HA H 8 4.219 4.728 -0.509 1
1 89 . 7 1 1 A 8 8 GLN C C 8 175.704 175.355 0.349 1
1 90 . 7 1 1 A 8 8 GLN CA C 8 56.112 55.891 0.221 1
1 91 . 7 1 1 A 8 8 GLN CB C 8 29.435 29.456 -0.021 1
1 94 . 7 1 1 A 8 8 GLN N N 8 121.100 125.370 -4.270 1
1 96 . 7 1 1 A 9 9 ASN H H 9 8.404 9.011 -0.607 1
1 97 . 7 1 1 A 9 9 ASN HA H 9 4.654 5.364 -0.710 1
1 102 . 7 1 1 A 9 9 ASN C C 9 174.445 173.015 1.430 1
1 103 . 7 1 1 A 9 9 ASN CA C 9 53.190 52.040 1.150 1
1 104 . 7 1 1 A 9 9 ASN CB C 9 38.913 42.925 -4.012 1
1 106 . 7 1 1 A 9 9 ASN N N 9 119.104 121.103 -1.999 1
1 108 . 7 1 1 A 10 10 ASN H H 10 8.306 8.866 -0.560 1
1 109 . 7 1 1 A 10 10 ASN HA H 10 4.964 5.399 -0.435 1
1 114 . 7 1 1 A 10 10 ASN C C 10 174.315 174.772 -0.457 1
1 115 . 7 1 1 A 10 10 ASN CA C 10 51.318 49.524 1.794 1
1 116 . 7 1 1 A 10 10 ASN CB C 10 38.992 39.487 -0.495 1
1 118 . 7 1 1 A 10 10 ASN N N 10 119.847 119.582 0.265 1
1 120 . 7 1 1 A 11 11 PRO HA H 11 4.427 4.296 0.131 1
1 127 . 7 1 1 A 11 11 PRO C C 11 177.095 178.702 -1.607 1
1 128 . 7 1 1 A 11 11 PRO CA C 11 64.214 66.030 -1.816 1
1 129 . 7 1 1 A 11 11 PRO CB C 11 32.355 31.551 0.804 1
1 132 . 7 1 1 A 12 12 LEU H H 12 8.102 8.142 -0.040 1
1 133 . 7 1 1 A 12 12 LEU HA H 12 4.320 4.368 -0.048 1
1 143 . 7 1 1 A 12 12 LEU C C 12 177.341 177.254 0.087 1
1 144 . 7 1 1 A 12 12 LEU CA C 12 54.883 55.941 -1.058 1
1 145 . 7 1 1 A 12 12 LEU CB C 12 41.300 43.241 -1.941 1
1 149 . 7 1 1 A 12 12 LEU N N 12 117.525 116.062 1.463 1
1 150 . 7 1 1 A 13 13 HIS H H 13 8.004 8.063 -0.059 1
1 151 . 7 1 1 A 13 13 HIS HA H 13 4.453 4.669 -0.216 1
1 154 . 7 1 1 A 13 13 HIS C C 13 175.375 174.334 1.041 1
1 155 . 7 1 1 A 13 13 HIS CA C 13 56.796 54.988 1.808 1
1 156 . 7 1 1 A 13 13 HIS CB C 13 28.248 29.566 -1.318 1
1 157 . 7 1 1 A 13 13 HIS N N 13 117.833 117.453 0.380 1
1 158 . 7 1 1 A 14 14 GLY H H 14 8.530 8.735 -0.205 1
1 159 . 7 1 1 A 14 14 GLY HA2 H 14 3.930 3.785 0.145 1
1 160 . 7 1 1 A 14 14 GLY HA3 H 14 3.755 3.825 -0.070 1
1 161 . 7 1 1 A 14 14 GLY C C 14 173.536 173.437 0.099 1
1 162 . 7 1 1 A 14 14 GLY CA C 14 45.529 46.911 -1.382 1
1 163 . 7 1 1 A 14 14 GLY N N 14 110.385 113.183 -2.798 1
1 164 . 7 1 1 A 15 15 ILE H H 15 7.563 8.286 -0.723 1
1 165 . 7 1 1 A 15 15 ILE HA H 15 4.392 4.235 0.157 1
1 175 . 7 1 1 A 15 15 ILE C C 15 174.878 176.659 -1.781 1
1 176 . 7 1 1 A 15 15 ILE CA C 15 60.102 61.619 -1.517 1
1 177 . 7 1 1 A 15 15 ILE CB C 15 39.383 37.797 1.586 1
1 181 . 7 1 1 A 15 15 ILE N N 15 120.363 125.603 -5.240 1
1 182 . 7 1 1 A 16 16 THR H H 16 7.643 8.390 -0.747 1
1 183 . 7 1 1 A 16 16 THR HA H 16 4.381 4.778 -0.397 1
1 188 . 7 1 1 A 16 16 THR C C 16 174.950 175.608 -0.658 1
1 189 . 7 1 1 A 16 16 THR CA C 16 60.355 60.195 0.160 1
1 190 . 7 1 1 A 16 16 THR CB C 16 70.834 71.499 -0.665 1
1 192 . 7 1 1 A 16 16 THR N N 16 115.980 118.939 -2.959 1
1 193 . 7 1 1 A 17 17 LEU H H 17 8.712 8.908 -0.196 1
1 194 . 7 1 1 A 17 17 LEU HA H 17 4.029 4.090 -0.061 1
1 204 . 7 1 1 A 17 17 LEU C C 17 178.125 178.147 -0.022 1
1 205 . 7 1 1 A 17 17 LEU CA C 17 57.582 58.567 -0.985 1
1 206 . 7 1 1 A 17 17 LEU CB C 17 40.906 41.040 -0.134 1
1 210 . 7 1 1 A 17 17 LEU N N 17 123.337 123.554 -0.217 1
1 211 . 7 1 1 A 18 18 GLN H H 18 8.611 8.274 0.337 1
1 212 . 7 1 1 A 18 18 GLN HA H 18 3.774 3.989 -0.215 1
1 219 . 7 1 1 A 18 18 GLN C C 18 178.211 178.350 -0.139 1
1 220 . 7 1 1 A 18 18 GLN CA C 18 60.388 59.407 0.981 1
1 221 . 7 1 1 A 18 18 GLN CB C 18 27.809 28.146 -0.337 1
1 224 . 7 1 1 A 18 18 GLN N N 18 116.423 118.333 -1.910 1
1 226 . 7 1 1 A 19 19 LYS H H 19 7.861 7.752 0.109 1
1 227 . 7 1 1 A 19 19 LYS HA H 19 3.957 4.086 -0.129 1
1 236 . 7 1 1 A 19 19 LYS C C 19 177.806 178.682 -0.876 1
1 237 . 7 1 1 A 19 19 LYS CA C 19 59.684 59.143 0.541 1
1 238 . 7 1 1 A 19 19 LYS CB C 19 32.300 32.083 0.217 1
1 242 . 7 1 1 A 19 19 LYS N N 19 123.583 120.524 3.059 1
1 243 . 7 1 1 A 20 20 LEU H H 20 8.223 8.088 0.135 1
1 244 . 7 1 1 A 20 20 LEU HA H 20 3.418 3.422 -0.004 1
1 254 . 7 1 1 A 20 20 LEU C C 20 178.417 178.261 0.156 1
1 255 . 7 1 1 A 20 20 LEU CA C 20 59.301 57.907 1.394 1
1 256 . 7 1 1 A 20 20 LEU CB C 20 41.370 41.424 -0.054 1
1 260 . 7 1 1 A 20 20 LEU N N 20 121.397 120.850 0.547 1
1 261 . 7 1 1 A 21 21 LEU H H 21 8.649 8.327 0.322 1
1 262 . 7 1 1 A 21 21 LEU HA H 21 3.872 3.906 -0.034 1
1 272 . 7 1 1 A 21 21 LEU C C 21 178.009 178.470 -0.461 1
1 273 . 7 1 1 A 21 21 LEU CA C 21 58.027 57.940 0.087 1
1 274 . 7 1 1 A 21 21 LEU CB C 21 42.279 41.521 0.758 1
1 278 . 7 1 1 A 21 21 LEU N N 21 118.999 119.699 -0.700 1
1 279 . 7 1 1 A 22 22 THR H H 22 8.025 8.182 -0.157 1
1 280 . 7 1 1 A 22 22 THR HA H 22 3.592 3.808 -0.216 1
1 285 . 7 1 1 A 22 22 THR C C 22 176.358 176.513 -0.155 1
1 286 . 7 1 1 A 22 22 THR CA C 22 67.879 66.771 1.108 1
1 287 . 7 1 1 A 22 22 THR CB C 22 68.717 68.558 0.159 1
1 289 . 7 1 1 A 22 22 THR N N 22 115.015 114.873 0.142 1
1 290 . 7 1 1 A 23 23 GLU H H 23 8.158 8.366 -0.208 1
1 291 . 7 1 1 A 23 23 GLU HA H 23 4.068 4.069 -0.001 1
1 296 . 7 1 1 A 23 23 GLU C C 23 180.091 179.674 0.417 1
1 297 . 7 1 1 A 23 23 GLU CA C 23 59.845 59.605 0.240 1
1 298 . 7 1 1 A 23 23 GLU CB C 23 29.101 29.380 -0.279 1
1 300 . 7 1 1 A 23 23 GLU N N 23 120.691 119.568 1.123 1
1 301 . 7 1 1 A 24 24 LEU H H 24 8.121 7.813 0.308 1
1 302 . 7 1 1 A 24 24 LEU HA H 24 4.140 4.312 -0.172 1
1 312 . 7 1 1 A 24 24 LEU C C 24 179.047 179.067 -0.020 1
1 313 . 7 1 1 A 24 24 LEU CA C 24 58.438 58.000 0.438 1
1 314 . 7 1 1 A 24 24 LEU CB C 24 42.715 41.789 0.926 1
1 318 . 7 1 1 A 24 24 LEU N N 24 119.210 120.217 -1.007 1
1 319 . 7 1 1 A 25 25 VAL H H 25 8.577 8.304 0.273 1
1 320 . 7 1 1 A 25 25 VAL HA H 25 2.698 3.192 -0.494 1
1 328 . 7 1 1 A 25 25 VAL C C 25 179.143 177.975 1.168 1
1 329 . 7 1 1 A 25 25 VAL CA C 25 67.077 66.847 0.230 1
1 330 . 7 1 1 A 25 25 VAL CB C 25 31.127 31.003 0.124 1
1 333 . 7 1 1 A 25 25 VAL N N 25 122.036 119.498 2.538 1
1 334 . 7 1 1 A 26 26 GLU H H 26 8.216 8.277 -0.061 1
1 335 . 7 1 1 A 26 26 GLU HA H 26 3.858 4.023 -0.165 1
1 340 . 7 1 1 A 26 26 GLU C C 26 177.409 178.866 -1.457 1
1 341 . 7 1 1 A 26 26 GLU CA C 26 59.105 59.044 0.061 1
1 342 . 7 1 1 A 26 26 GLU CB C 26 29.025 29.698 -0.673 1
1 344 . 7 1 1 A 26 26 GLU N N 26 119.262 119.011 0.251 1
1 345 . 7 1 1 A 27 27 HIS H H 27 7.815 8.303 -0.488 1
1 346 . 7 1 1 A 27 27 HIS HA H 27 4.183 4.157 0.026 1
1 349 . 7 1 1 A 27 27 HIS C C 27 175.618 176.345 -0.727 1
1 350 . 7 1 1 A 27 27 HIS CA C 27 58.932 59.513 -0.581 1
1 351 . 7 1 1 A 27 27 HIS CB C 27 29.358 30.145 -0.787 1
1 352 . 7 1 1 A 27 27 HIS N N 27 114.100 120.391 -6.291 1
1 353 . 7 1 1 A 28 28 TYR H H 28 8.628 8.279 0.349 1
1 354 . 7 1 1 A 28 28 TYR HA H 28 4.424 4.239 0.185 1
1 361 . 7 1 1 A 28 28 TYR C C 28 177.445 176.519 0.926 1
1 362 . 7 1 1 A 28 28 TYR CA C 28 60.294 60.877 -0.583 1
1 363 . 7 1 1 A 28 28 TYR CB C 28 40.851 39.015 1.836 1
1 368 . 7 1 1 A 28 28 TYR N N 28 113.706 114.899 -1.193 1
1 369 . 7 1 1 A 29 29 GLY H H 29 7.713 7.496 0.217 1
1 370 . 7 1 1 A 29 29 GLY HA2 H 29 4.366 3.895 0.471 1
1 371 . 7 1 1 A 29 29 GLY HA3 H 29 3.846 4.062 -0.216 1
1 372 . 7 1 1 A 29 29 GLY C C 29 172.549 175.042 -2.493 1
1 373 . 7 1 1 A 29 29 GLY CA C 29 44.258 44.091 0.167 1
1 374 . 7 1 1 A 29 29 GLY N N 29 107.840 104.818 3.022 1
1 375 . 7 1 1 A 30 30 TRP H H 30 7.960 8.690 -0.730 1
1 376 . 7 1 1 A 30 30 TRP HA H 30 4.136 4.221 -0.085 1
1 385 . 7 1 1 A 30 30 TRP C C 30 178.090 178.768 -0.678 1
1 386 . 7 1 1 A 30 30 TRP CA C 30 60.502 60.213 0.289 1
1 387 . 7 1 1 A 30 30 TRP CB C 30 30.304 29.130 1.174 1
1 393 . 7 1 1 A 30 30 TRP N N 30 118.175 121.369 -3.194 1
1 395 . 7 1 1 A 31 31 GLU H H 31 8.549 8.261 0.288 1
1 396 . 7 1 1 A 31 31 GLU HA H 31 3.992 4.049 -0.057 1
1 401 . 7 1 1 A 31 31 GLU C C 31 179.942 179.249 0.693 1
1 402 . 7 1 1 A 31 31 GLU CA C 31 60.090 59.956 0.134 1
1 403 . 7 1 1 A 31 31 GLU CB C 31 28.474 29.491 -1.017 1
1 405 . 7 1 1 A 31 31 GLU N N 31 118.099 119.899 -1.800 1
1 406 . 7 1 1 A 32 32 GLU H H 32 8.962 8.313 0.649 1
1 407 . 7 1 1 A 32 32 GLU HA H 32 4.137 4.114 0.023 1
1 412 . 7 1 1 A 32 32 GLU C C 32 179.651 179.520 0.131 1
1 413 . 7 1 1 A 32 32 GLU CA C 32 58.745 59.238 -0.493 1
1 414 . 7 1 1 A 32 32 GLU CB C 32 28.145 29.725 -1.580 1
1 416 . 7 1 1 A 32 32 GLU N N 32 120.094 121.067 -0.973 1
1 417 . 7 1 1 A 33 33 LEU H H 33 7.748 8.406 -0.658 1
1 418 . 7 1 1 A 33 33 LEU HA H 33 3.922 3.777 0.145 1
1 428 . 7 1 1 A 33 33 LEU C C 33 178.833 179.430 -0.597 1
1 429 . 7 1 1 A 33 33 LEU CA C 33 58.577 57.620 0.957 1
1 430 . 7 1 1 A 33 33 LEU CB C 33 41.269 40.946 0.323 1
1 434 . 7 1 1 A 33 33 LEU N N 33 118.890 120.930 -2.040 1
1 435 . 7 1 1 A 34 34 SER H H 34 8.607 8.413 0.194 1
1 436 . 7 1 1 A 34 34 SER HA H 34 4.642 4.645 -0.003 1
1 439 . 7 1 1 A 34 34 SER C C 34 175.346 176.544 -1.198 1
1 440 . 7 1 1 A 34 34 SER CA C 34 61.247 61.293 -0.046 1
1 441 . 7 1 1 A 34 34 SER CB C 34 63.043 63.187 -0.144 1
1 442 . 7 1 1 A 34 34 SER N N 34 114.464 112.964 1.500 1
1 443 . 7 1 1 A 35 35 TYR H H 35 7.395 7.739 -0.344 1
1 444 . 7 1 1 A 35 35 TYR HA H 35 4.537 4.266 0.271 1
1 451 . 7 1 1 A 35 35 TYR C C 35 177.940 177.674 0.266 1
1 452 . 7 1 1 A 35 35 TYR CA C 35 58.907 61.457 -2.550 1
1 453 . 7 1 1 A 35 35 TYR CB C 35 37.852 38.496 -0.644 1
1 458 . 7 1 1 A 35 35 TYR N N 35 120.804 124.117 -3.313 1
1 459 . 7 1 1 A 36 36 MET H H 36 7.840 8.040 -0.200 1
1 460 . 7 1 1 A 36 36 MET HA H 36 4.158 4.262 -0.104 1
1 468 . 7 1 1 A 36 36 MET C C 36 177.049 175.942 1.107 1
1 469 . 7 1 1 A 36 36 MET CA C 36 58.684 57.581 1.103 1
1 470 . 7 1 1 A 36 36 MET CB C 36 34.927 33.263 1.664 1
1 473 . 7 1 1 A 36 36 MET N N 36 118.425 117.135 1.290 1
1 474 . 7 1 1 A 37 37 VAL H H 37 8.469 8.212 0.257 1
1 475 . 7 1 1 A 37 37 VAL HA H 37 4.265 4.358 -0.093 1
1 483 . 7 1 1 A 37 37 VAL C C 37 173.959 174.729 -0.770 1
1 484 . 7 1 1 A 37 37 VAL CA C 37 61.621 61.832 -0.211 1
1 485 . 7 1 1 A 37 37 VAL CB C 37 32.527 33.034 -0.507 1
1 488 . 7 1 1 A 37 37 VAL N N 37 117.997 118.418 -0.421 1
1 489 . 7 1 1 A 38 38 ASN H H 38 8.677 8.792 -0.115 1
1 490 . 7 1 1 A 38 38 ASN HA H 38 4.948 5.007 -0.059 1
1 495 . 7 1 1 A 38 38 ASN C C 38 174.710 174.286 0.424 1
1 496 . 7 1 1 A 38 38 ASN CA C 38 53.444 52.913 0.531 1
1 497 . 7 1 1 A 38 38 ASN CB C 38 37.001 36.819 0.182 1
1 499 . 7 1 1 A 38 38 ASN N N 38 123.121 126.780 -3.659 1
1 501 . 7 1 1 A 39 39 ILE H H 39 7.744 8.289 -0.545 1
1 502 . 7 1 1 A 39 39 ILE HA H 39 4.655 5.063 -0.408 1
1 512 . 7 1 1 A 39 39 ILE C C 39 176.996 174.326 2.670 1
1 513 . 7 1 1 A 39 39 ILE CA C 39 59.201 58.526 0.675 1
1 514 . 7 1 1 A 39 39 ILE CB C 39 40.558 41.918 -1.360 1
1 518 . 7 1 1 A 39 39 ILE N N 39 115.722 117.247 -1.525 1
1 519 . 7 1 1 A 40 40 ASN H H 40 8.881 8.682 0.199 1
1 520 . 7 1 1 A 40 40 ASN HA H 40 4.192 4.666 -0.474 1
1 525 . 7 1 1 A 40 40 ASN C C 40 177.705 174.205 3.500 1
1 526 . 7 1 1 A 40 40 ASN CA C 40 56.883 52.281 4.602 1
1 527 . 7 1 1 A 40 40 ASN CB C 40 38.313 36.976 1.337 1
1 529 . 7 1 1 A 40 40 ASN N N 40 124.600 122.723 1.877 1
1 531 . 7 1 1 A 41 41 CYS H H 41 8.034 8.260 -0.226 1
1 532 . 7 1 1 A 41 41 CYS HA H 41 4.373 4.175 0.198 1
1 535 . 7 1 1 A 41 41 CYS C C 41 174.303 174.868 -0.565 1
1 536 . 7 1 1 A 41 41 CYS CA C 41 59.164 59.839 -0.675 1
1 537 . 7 1 1 A 41 41 CYS CB C 41 26.126 27.863 -1.737 1
1 538 . 7 1 1 A 41 41 CYS N N 41 115.097 123.805 -8.708 1
1 539 . 7 1 1 A 42 42 PHE H H 42 7.031 7.859 -0.828 1
1 540 . 7 1 1 A 42 42 PHE HA H 42 4.937 4.546 0.391 1
1 548 . 7 1 1 A 42 42 PHE C C 42 174.437 176.488 -2.051 1
1 549 . 7 1 1 A 42 42 PHE CA C 42 54.439 59.512 -5.073 1
1 550 . 7 1 1 A 42 42 PHE CB C 42 38.059 38.135 -0.076 1
1 556 . 7 1 1 A 42 42 PHE N N 42 117.304 118.796 -1.492 1
1 557 . 7 1 1 A 43 43 LYS H H 43 7.371 7.682 -0.311 1
1 558 . 7 1 1 A 43 43 LYS HA H 43 4.304 4.424 -0.120 1
1 567 . 7 1 1 A 43 43 LYS C C 43 175.800 177.914 -2.114 1
1 568 . 7 1 1 A 43 43 LYS CA C 43 57.474 57.127 0.347 1
1 569 . 7 1 1 A 43 43 LYS CB C 43 34.978 33.939 1.039 1
1 573 . 7 1 1 A 43 43 LYS N N 43 116.029 118.117 -2.088 1
1 574 . 7 1 1 A 44 44 LYS H H 44 7.593 7.810 -0.217 1
1 575 . 7 1 1 A 44 44 LYS HA H 44 4.302 4.013 0.289 1
1 584 . 7 1 1 A 44 44 LYS C C 44 173.608 176.509 -2.901 1
1 585 . 7 1 1 A 44 44 LYS CA C 44 55.169 58.644 -3.475 1
1 586 . 7 1 1 A 44 44 LYS CB C 44 33.123 33.071 0.052 1
1 590 . 7 1 1 A 44 44 LYS N N 44 119.851 119.894 -0.043 1
1 591 . 7 1 1 A 45 45 ASP H H 45 8.774 7.431 1.343 1
1 592 . 7 1 1 A 45 45 ASP HA H 45 4.200 4.868 -0.668 1
1 595 . 7 1 1 A 45 45 ASP C C 45 172.128 173.561 -1.433 1
1 596 . 7 1 1 A 45 45 ASP CA C 45 53.963 51.484 2.479 1
1 597 . 7 1 1 A 45 45 ASP CB C 45 40.263 41.080 -0.817 1
1 598 . 7 1 1 A 45 45 ASP N N 45 122.276 118.358 3.918 1
1 599 . 7 1 1 A 46 46 PRO HA H 46 3.930 4.235 -0.305 1
1 606 . 7 1 1 A 46 46 PRO C C 46 176.968 174.344 2.624 1
1 607 . 7 1 1 A 46 46 PRO CA C 46 62.964 61.824 1.140 1
1 608 . 7 1 1 A 46 46 PRO CB C 46 30.892 28.846 2.046 1
1 611 . 7 1 1 A 47 47 SER H H 47 8.018 7.953 0.065 1
1 612 . 7 1 1 A 47 47 SER HA H 47 4.676 4.819 -0.143 1
1 615 . 7 1 1 A 47 47 SER C C 47 175.465 174.539 0.926 1
1 616 . 7 1 1 A 47 47 SER CA C 47 57.014 56.421 0.593 1
1 617 . 7 1 1 A 47 47 SER CB C 47 66.436 65.175 1.261 1
1 618 . 7 1 1 A 47 47 SER N N 47 112.273 117.767 -5.494 1
1 619 . 7 1 1 A 48 48 ILE H H 48 9.489 9.021 0.468 1
1 620 . 7 1 1 A 48 48 ILE HA H 48 4.013 4.128 -0.115 1
1 630 . 7 1 1 A 48 48 ILE C C 48 177.681 177.977 -0.296 1
1 631 . 7 1 1 A 48 48 ILE CA C 48 64.456 65.961 -1.505 1
1 632 . 7 1 1 A 48 48 ILE CB C 48 36.382 38.029 -1.647 1
1 636 . 7 1 1 A 48 48 ILE N N 48 126.826 128.804 -1.978 1
1 637 . 7 1 1 A 49 49 LYS H H 49 8.735 8.330 0.405 1
1 638 . 7 1 1 A 49 49 LYS HA H 49 3.984 3.982 0.002 1
1 647 . 7 1 1 A 49 49 LYS C C 49 179.784 178.629 1.155 1
1 648 . 7 1 1 A 49 49 LYS CA C 49 60.562 59.762 0.800 1
1 649 . 7 1 1 A 49 49 LYS CB C 49 32.533 32.286 0.247 1
1 653 . 7 1 1 A 49 49 LYS N N 49 118.592 121.353 -2.761 1
1 654 . 7 1 1 A 50 50 SER H H 50 8.065 7.348 0.717 1
1 655 . 7 1 1 A 50 50 SER HA H 50 4.270 4.190 0.080 1
1 658 . 7 1 1 A 50 50 SER C C 50 178.135 176.874 1.261 1
1 659 . 7 1 1 A 50 50 SER CA C 50 61.431 61.646 -0.215 1
1 660 . 7 1 1 A 50 50 SER CB C 50 62.672 62.768 -0.096 1
1 661 . 7 1 1 A 50 50 SER N N 50 114.354 114.667 -0.313 1
1 662 . 7 1 1 A 51 51 SER H H 51 8.300 8.693 -0.393 1
1 663 . 7 1 1 A 51 51 SER HA H 51 4.681 4.173 0.508 1
1 666 . 7 1 1 A 51 51 SER C C 51 176.245 177.147 -0.902 1
1 667 . 7 1 1 A 51 51 SER CA C 51 63.327 61.731 1.596 1
1 668 . 7 1 1 A 51 51 SER CB C 51 64.340 62.609 1.731 1
1 669 . 7 1 1 A 51 51 SER N N 51 120.855 116.923 3.932 1
1 670 . 7 1 1 A 52 52 LEU H H 52 8.849 8.430 0.419 1
1 671 . 7 1 1 A 52 52 LEU HA H 52 3.902 4.003 -0.101 1
1 681 . 7 1 1 A 52 52 LEU C C 52 178.339 179.168 -0.829 1
1 682 . 7 1 1 A 52 52 LEU CA C 52 58.600 58.188 0.412 1
1 683 . 7 1 1 A 52 52 LEU CB C 52 41.685 41.773 -0.088 1
1 687 . 7 1 1 A 52 52 LEU N N 52 122.627 123.019 -0.392 1
1 688 . 7 1 1 A 53 53 LYS H H 53 7.268 7.895 -0.627 1
1 689 . 7 1 1 A 53 53 LYS HA H 53 3.957 3.974 -0.017 1
1 698 . 7 1 1 A 53 53 LYS C C 53 178.750 179.070 -0.320 1
1 699 . 7 1 1 A 53 53 LYS CA C 53 59.867 59.453 0.414 1
1 700 . 7 1 1 A 53 53 LYS CB C 53 32.475 32.281 0.194 1
1 704 . 7 1 1 A 53 53 LYS N N 53 117.100 116.602 0.498 1
1 705 . 7 1 1 A 54 54 PHE H H 54 7.388 7.917 -0.529 1
1 706 . 7 1 1 A 54 54 PHE HA H 54 4.167 4.068 0.099 1
1 714 . 7 1 1 A 54 54 PHE C C 54 178.975 176.857 2.118 1
1 715 . 7 1 1 A 54 54 PHE CA C 54 61.515 61.416 0.099 1
1 716 . 7 1 1 A 54 54 PHE CB C 54 39.619 39.096 0.523 1
1 722 . 7 1 1 A 54 54 PHE N N 54 117.704 120.487 -2.783 1
1 723 . 7 1 1 A 55 55 LEU H H 55 9.142 8.710 0.432 1
1 724 . 7 1 1 A 55 55 LEU HA H 55 3.720 3.881 -0.161 1
1 734 . 7 1 1 A 55 55 LEU C C 55 178.763 179.394 -0.631 1
1 735 . 7 1 1 A 55 55 LEU CA C 55 57.656 57.405 0.251 1
1 736 . 7 1 1 A 55 55 LEU CB C 55 42.837 41.081 1.756 1
1 740 . 7 1 1 A 55 55 LEU N N 55 120.396 118.434 1.962 1
1 741 . 7 1 1 A 56 56 ARG H H 56 8.338 7.877 0.461 1
1 742 . 7 1 1 A 56 56 ARG HA H 56 3.855 4.017 -0.162 1
1 750 . 7 1 1 A 56 56 ARG C C 56 176.697 177.745 -1.048 1
1 751 . 7 1 1 A 56 56 ARG CA C 56 59.452 58.946 0.506 1
1 752 . 7 1 1 A 56 56 ARG CB C 56 30.239 29.689 0.550 1
1 755 . 7 1 1 A 56 56 ARG N N 56 116.866 119.393 -2.527 1
1 757 . 7 1 1 A 57 57 LYS H H 57 6.770 7.220 -0.450 1
1 758 . 7 1 1 A 57 57 LYS HA H 57 4.542 4.212 0.330 1
1 767 . 7 1 1 A 57 57 LYS C C 57 176.148 175.822 0.326 1
1 768 . 7 1 1 A 57 57 LYS CA C 57 55.545 56.699 -1.154 1
1 769 . 7 1 1 A 57 57 LYS CB C 57 33.805 33.226 0.579 1
1 773 . 7 1 1 A 57 57 LYS N N 57 113.205 116.483 -3.278 1
1 774 . 7 1 1 A 58 58 THR H H 58 6.908 7.551 -0.643 1
1 775 . 7 1 1 A 58 58 THR HA H 58 4.212 4.353 -0.141 1
1 780 . 7 1 1 A 58 58 THR C C 58 173.643 173.592 0.051 1
1 781 . 7 1 1 A 58 58 THR CA C 58 60.688 60.985 -0.297 1
1 782 . 7 1 1 A 58 58 THR CB C 58 67.557 69.317 -1.760 1
1 784 . 7 1 1 A 58 58 THR N N 58 117.915 113.215 4.700 1
1 785 . 7 1 1 A 59 59 ASP H H 59 8.789 8.937 -0.148 1
1 786 . 7 1 1 A 59 59 ASP HA H 59 4.128 4.301 -0.173 1
1 789 . 7 1 1 A 59 59 ASP C C 59 178.565 178.820 -0.255 1
1 790 . 7 1 1 A 59 59 ASP CA C 59 58.506 57.086 1.420 1
1 791 . 7 1 1 A 59 59 ASP CB C 59 39.530 40.510 -0.980 1
1 792 . 7 1 1 A 59 59 ASP N N 59 128.511 126.170 2.341 1
1 793 . 7 1 1 A 60 60 TRP H H 60 8.638 8.216 0.422 1
1 794 . 7 1 1 A 60 60 TRP HA H 60 4.375 4.513 -0.138 1
1 803 . 7 1 1 A 60 60 TRP C C 60 178.277 178.442 -0.165 1
1 804 . 7 1 1 A 60 60 TRP CA C 60 59.183 59.869 -0.686 1
1 805 . 7 1 1 A 60 60 TRP CB C 60 26.962 27.926 -0.964 1
1 811 . 7 1 1 A 60 60 TRP N N 60 117.515 118.329 -0.814 1
1 813 . 7 1 1 A 61 61 ALA H H 61 5.533 7.657 -2.124 1
1 814 . 7 1 1 A 61 61 ALA HA H 61 3.414 3.684 -0.270 1
1 818 . 7 1 1 A 61 61 ALA C C 61 177.616 179.333 -1.717 1
1 819 . 7 1 1 A 61 61 ALA CA C 61 54.478 54.973 -0.495 1
1 820 . 7 1 1 A 61 61 ALA CB C 61 17.904 17.735 0.169 1
1 821 . 7 1 1 A 61 61 ALA N N 61 125.465 123.710 1.755 1
1 822 . 7 1 1 A 62 62 ARG H H 62 7.811 7.869 -0.058 1
1 823 . 7 1 1 A 62 62 ARG HA H 62 3.617 4.014 -0.397 1
1 831 . 7 1 1 A 62 62 ARG C C 62 177.918 179.315 -1.397 1
1 832 . 7 1 1 A 62 62 ARG CA C 62 60.708 59.836 0.872 1
1 833 . 7 1 1 A 62 62 ARG CB C 62 29.156 30.152 -0.996 1
1 836 . 7 1 1 A 62 62 ARG N N 62 120.420 117.494 2.926 1
1 838 . 7 1 1 A 63 63 GLU H H 63 8.412 8.156 0.256 1
1 839 . 7 1 1 A 63 63 GLU HA H 63 4.041 4.039 0.002 1
1 844 . 7 1 1 A 63 63 GLU C C 63 178.935 179.430 -0.495 1
1 845 . 7 1 1 A 63 63 GLU CA C 63 59.509 59.366 0.143 1
1 846 . 7 1 1 A 63 63 GLU CB C 63 28.759 29.469 -0.710 1
1 848 . 7 1 1 A 63 63 GLU N N 63 117.144 119.751 -2.607 1
1 849 . 7 1 1 A 64 64 ARG H H 64 7.603 7.517 0.086 1
1 850 . 7 1 1 A 64 64 ARG HA H 64 4.256 4.103 0.153 1
1 858 . 7 1 1 A 64 64 ARG C C 64 179.133 178.435 0.698 1
1 859 . 7 1 1 A 64 64 ARG CA C 64 59.340 59.549 -0.209 1
1 860 . 7 1 1 A 64 64 ARG CB C 64 30.067 30.678 -0.611 1
1 863 . 7 1 1 A 64 64 ARG N N 64 118.298 119.238 -0.940 1
1 865 . 7 1 1 A 65 65 VAL H H 65 8.065 8.353 -0.288 1
1 866 . 7 1 1 A 65 65 VAL HA H 65 3.713 3.516 0.197 1
1 874 . 7 1 1 A 65 65 VAL C C 65 177.638 177.826 -0.188 1
1 875 . 7 1 1 A 65 65 VAL CA C 65 66.891 66.555 0.336 1
1 876 . 7 1 1 A 65 65 VAL CB C 65 31.480 31.492 -0.012 1
1 879 . 7 1 1 A 65 65 VAL N N 65 117.270 119.899 -2.629 1
1 880 . 7 1 1 A 66 66 GLU H H 66 8.583 8.786 -0.203 1
1 881 . 7 1 1 A 66 66 GLU HA H 66 3.912 3.951 -0.039 1
1 886 . 7 1 1 A 66 66 GLU C C 66 178.380 179.225 -0.845 1
1 887 . 7 1 1 A 66 66 GLU CA C 66 60.256 59.924 0.332 1
1 888 . 7 1 1 A 66 66 GLU CB C 66 28.691 29.248 -0.557 1
1 890 . 7 1 1 A 66 66 GLU N N 66 119.924 118.997 0.927 1
1 891 . 7 1 1 A 67 67 ASN H H 67 8.267 8.047 0.220 1
1 892 . 7 1 1 A 67 67 ASN HA H 67 4.567 4.493 0.074 1
1 897 . 7 1 1 A 67 67 ASN C C 67 178.338 177.862 0.476 1
1 898 . 7 1 1 A 67 67 ASN CA C 67 56.900 57.067 -0.167 1
1 899 . 7 1 1 A 67 67 ASN CB C 67 38.802 39.430 -0.628 1
1 901 . 7 1 1 A 67 67 ASN N N 67 117.574 117.534 0.040 1
1 903 . 7 1 1 A 68 68 ILE H H 68 8.132 7.622 0.510 1
1 904 . 7 1 1 A 68 68 ILE HA H 68 3.726 3.625 0.101 1
1 914 . 7 1 1 A 68 68 ILE C C 68 178.722 178.049 0.673 1
1 915 . 7 1 1 A 68 68 ILE CA C 68 65.388 65.350 0.038 1
1 916 . 7 1 1 A 68 68 ILE CB C 68 37.841 37.611 0.230 1
1 920 . 7 1 1 A 68 68 ILE N N 68 121.125 119.266 1.859 1
1 921 . 7 1 1 A 69 69 TYR H H 69 8.146 8.279 -0.133 1
1 922 . 7 1 1 A 69 69 TYR HA H 69 4.058 4.166 -0.108 1
1 929 . 7 1 1 A 69 69 TYR C C 69 177.061 177.420 -0.359 1
1 930 . 7 1 1 A 69 69 TYR CA C 69 62.828 61.434 1.394 1
1 931 . 7 1 1 A 69 69 TYR CB C 69 38.747 38.958 -0.211 1
1 936 . 7 1 1 A 69 69 TYR N N 69 121.378 121.324 0.054 1
1 937 . 7 1 1 A 70 70 LEU H H 70 8.630 8.746 -0.116 1
1 938 . 7 1 1 A 70 70 LEU HA H 70 3.875 3.866 0.009 1
1 948 . 7 1 1 A 70 70 LEU C C 70 179.755 179.325 0.430 1
1 949 . 7 1 1 A 70 70 LEU CA C 70 58.230 58.356 -0.126 1
1 950 . 7 1 1 A 70 70 LEU CB C 70 41.733 41.405 0.328 1
1 954 . 7 1 1 A 70 70 LEU N N 70 120.179 119.717 0.462 1
1 955 . 7 1 1 A 71 71 LYS H H 71 7.950 8.422 -0.472 1
1 956 . 7 1 1 A 71 71 LYS HA H 71 3.957 3.993 -0.036 1
1 965 . 7 1 1 A 71 71 LYS C C 71 178.961 178.901 0.060 1
1 966 . 7 1 1 A 71 71 LYS CA C 71 59.684 59.760 -0.076 1
1 967 . 7 1 1 A 71 71 LYS CB C 71 32.421 32.020 0.401 1
1 971 . 7 1 1 A 71 71 LYS N N 71 118.820 120.512 -1.692 1
1 972 . 7 1 1 A 72 72 LEU H H 72 7.731 8.107 -0.376 1
1 973 . 7 1 1 A 72 72 LEU HA H 72 4.037 4.056 -0.019 1
1 983 . 7 1 1 A 72 72 LEU C C 72 178.533 178.528 0.005 1
1 984 . 7 1 1 A 72 72 LEU CA C 72 57.352 57.807 -0.455 1
1 985 . 7 1 1 A 72 72 LEU CB C 72 41.406 41.735 -0.329 1
1 989 . 7 1 1 A 72 72 LEU N N 72 121.367 121.014 0.353 1
1 990 . 7 1 1 A 73 73 GLN H H 73 7.884 8.003 -0.119 1
1 991 . 7 1 1 A 73 73 GLN HA H 73 3.852 3.829 0.023 1
1 998 . 7 1 1 A 73 73 GLN C C 73 177.679 178.719 -1.040 1
1 999 . 7 1 1 A 73 73 GLN CA C 73 57.026 59.172 -2.146 1
1 1000 . 7 1 1 A 73 73 GLN CB C 73 28.148 28.218 -0.070 1
1 1003 . 7 1 1 A 73 73 GLN N N 73 116.639 118.006 -1.367 1
1 1005 . 7 1 1 A 74 74 ARG H H 74 7.725 7.989 -0.264 1
1 1006 . 7 1 1 A 74 74 ARG HA H 74 4.136 4.122 0.014 1
1 1013 . 7 1 1 A 74 74 ARG C C 74 177.235 178.312 -1.077 1
1 1014 . 7 1 1 A 74 74 ARG CA C 74 57.452 58.614 -1.162 1
1 1015 . 7 1 1 A 74 74 ARG CB C 74 30.308 30.073 0.235 1
1 1018 . 7 1 1 A 74 74 ARG N N 74 118.122 118.819 -0.697 1
1 1019 . 7 1 1 A 75 75 HIS H H 75 7.982 7.898 0.084 1
1 1020 . 7 1 1 A 75 75 HIS HA H 75 4.564 4.279 0.285 1
1 1023 . 7 1 1 A 75 75 HIS C C 75 175.202 175.543 -0.341 1
1 1024 . 7 1 1 A 75 75 HIS CA C 75 56.587 57.786 -1.199 1
1 1025 . 7 1 1 A 75 75 HIS CB C 75 28.477 30.637 -2.160 1
1 1026 . 7 1 1 A 75 75 HIS N N 75 117.995 119.793 -1.798 1
1 1027 . 7 1 1 A 76 76 LYS H H 76 8.180 7.043 1.137 1
1 1028 . 7 1 1 A 76 76 LYS HA H 76 4.148 3.898 0.250 1
1 1037 . 7 1 1 A 76 76 LYS C C 76 177.303 176.965 0.338 1
1 1038 . 7 1 1 A 76 76 LYS CA C 76 57.550 56.998 0.552 1
1 1039 . 7 1 1 A 76 76 LYS CB C 76 32.789 33.139 -0.350 1
1 1043 . 7 1 1 A 76 76 LYS N N 76 121.510 120.787 0.723 1
1 1044 . 7 1 1 A 77 77 GLU H H 77 8.321 8.666 -0.345 1
1 1045 . 7 1 1 A 77 77 GLU HA H 77 4.224 4.083 0.141 1
1 1050 . 7 1 1 A 77 77 GLU C C 77 177.067 177.135 -0.068 1
1 1051 . 7 1 1 A 77 77 GLU CA C 77 56.991 58.964 -1.973 1
1 1052 . 7 1 1 A 77 77 GLU CB C 77 29.841 30.367 -0.526 1
1 1054 . 7 1 1 A 77 77 GLU N N 77 120.860 126.088 -5.228 1
1 1055 . 7 1 1 A 78 78 ARG H H 78 8.228 7.910 0.318 1
1 1056 . 7 1 1 A 78 78 ARG HA H 78 4.240 4.684 -0.444 1
1 1063 . 7 1 1 A 78 78 ARG C C 78 176.577 175.940 0.637 1
1 1064 . 7 1 1 A 78 78 ARG CA C 78 56.786 54.879 1.907 1
1 1065 . 7 1 1 A 78 78 ARG CB C 78 30.413 32.166 -1.753 1
1 1068 . 7 1 1 A 78 78 ARG N N 78 121.081 118.556 2.525 1
1 1069 . 7 1 1 A 79 79 ASN H H 79 8.333 8.678 -0.345 1
1 1070 . 7 1 1 A 79 79 ASN HA H 79 4.617 4.825 -0.208 1
1 1075 . 7 1 1 A 79 79 ASN C C 79 175.605 174.515 1.090 1
1 1076 . 7 1 1 A 79 79 ASN CA C 79 53.938 53.174 0.764 1
1 1077 . 7 1 1 A 79 79 ASN CB C 79 38.748 39.056 -0.308 1
1 1079 . 7 1 1 A 79 79 ASN N N 79 118.880 122.645 -3.765 1
1 1081 . 7 1 1 A 80 80 GLN H H 80 8.285 8.532 -0.247 1
1 1082 . 7 1 1 A 80 80 GLN HA H 80 4.253 4.704 -0.451 1
1 1089 . 7 1 1 A 80 80 GLN C C 80 176.304 173.764 2.540 1
1 1090 . 7 1 1 A 80 80 GLN CA C 80 56.545 55.180 1.365 1
1 1091 . 7 1 1 A 80 80 GLN CB C 80 29.274 33.031 -3.757 1
1 1094 . 7 1 1 A 80 80 GLN N N 80 120.222 120.716 -0.494 1
1 1096 . 7 1 1 A 81 81 LEU H H 81 8.130 8.551 -0.421 1
1 1097 . 7 1 1 A 81 81 LEU HA H 81 4.222 4.962 -0.740 1
1 1107 . 7 1 1 A 81 81 LEU C C 81 177.542 176.446 1.096 1
1 1108 . 7 1 1 A 81 81 LEU CA C 81 55.736 52.972 2.764 1
1 1109 . 7 1 1 A 81 81 LEU CB C 81 42.196 44.166 -1.970 1
1 1113 . 7 1 1 A 81 81 LEU N N 81 122.119 120.796 1.323 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.081 4.497 -0.416 1
1 5 . 8 1 1 A 2 2 ALA C C 2 173.423 176.380 -2.957 1
1 6 . 8 1 1 A 2 2 ALA CA C 2 51.798 51.609 0.189 1
1 7 . 8 1 1 A 2 2 ALA CB C 2 19.502 18.924 0.578 1
1 8 . 8 1 1 A 3 3 LEU H H 3 8.547 8.917 -0.370 1
1 9 . 8 1 1 A 3 3 LEU HA H 3 4.394 4.748 -0.354 1
1 19 . 8 1 1 A 3 3 LEU C C 3 176.779 176.062 0.717 1
1 20 . 8 1 1 A 3 3 LEU CA C 3 55.226 53.908 1.318 1
1 21 . 8 1 1 A 3 3 LEU CB C 3 42.472 41.414 1.058 1
1 25 . 8 1 1 A 3 3 LEU N N 3 122.089 124.802 -2.713 1
1 26 . 8 1 1 A 4 4 ILE H H 4 8.319 8.684 -0.365 1
1 27 . 8 1 1 A 4 4 ILE HA H 4 4.167 4.079 0.088 1
1 37 . 8 1 1 A 4 4 ILE C C 4 176.138 177.163 -1.025 1
1 38 . 8 1 1 A 4 4 ILE CA C 4 60.894 61.582 -0.688 1
1 39 . 8 1 1 A 4 4 ILE CB C 4 38.595 36.586 2.009 1
1 43 . 8 1 1 A 4 4 ILE N N 4 123.468 127.263 -3.795 1
1 44 . 8 1 1 A 5 5 MET H H 5 8.574 8.306 0.268 1
1 45 . 8 1 1 A 5 5 MET HA H 5 4.584 4.393 0.191 1
1 50 . 8 1 1 A 5 5 MET C C 5 176.274 176.847 -0.573 1
1 51 . 8 1 1 A 5 5 MET CA C 5 55.348 57.353 -2.005 1
1 52 . 8 1 1 A 5 5 MET CB C 5 32.961 32.836 0.125 1
1 54 . 8 1 1 A 5 5 MET N N 5 125.527 126.318 -0.791 1
1 55 . 8 1 1 A 6 6 THR H H 6 8.172 7.613 0.559 1
1 56 . 8 1 1 A 6 6 THR HA H 6 4.331 4.143 0.188 1
1 61 . 8 1 1 A 6 6 THR C C 6 174.578 174.269 0.309 1
1 62 . 8 1 1 A 6 6 THR CA C 6 61.849 64.096 -2.247 1
1 63 . 8 1 1 A 6 6 THR CB C 6 69.904 69.266 0.638 1
1 65 . 8 1 1 A 6 6 THR N N 6 115.487 116.860 -1.373 1
1 66 . 8 1 1 A 7 7 GLN H H 7 8.461 8.449 0.012 1
1 67 . 8 1 1 A 7 7 GLN HA H 7 4.317 4.167 0.150 1
1 74 . 8 1 1 A 7 7 GLN C C 7 176.108 175.289 0.819 1
1 75 . 8 1 1 A 7 7 GLN CA C 7 56.149 56.205 -0.056 1
1 76 . 8 1 1 A 7 7 GLN CB C 7 29.491 28.840 0.651 1
1 79 . 8 1 1 A 7 7 GLN N N 7 122.199 126.106 -3.907 1
1 81 . 8 1 1 A 8 8 GLN H H 8 8.418 8.561 -0.143 1
1 82 . 8 1 1 A 8 8 GLN HA H 8 4.219 4.400 -0.181 1
1 89 . 8 1 1 A 8 8 GLN C C 8 175.704 175.745 -0.041 1
1 90 . 8 1 1 A 8 8 GLN CA C 8 56.112 56.031 0.081 1
1 91 . 8 1 1 A 8 8 GLN CB C 8 29.435 28.270 1.165 1
1 94 . 8 1 1 A 8 8 GLN N N 8 121.100 122.047 -0.947 1
1 96 . 8 1 1 A 9 9 ASN H H 9 8.404 8.856 -0.452 1
1 97 . 8 1 1 A 9 9 ASN HA H 9 4.654 4.697 -0.043 1
1 102 . 8 1 1 A 9 9 ASN C C 9 174.445 175.859 -1.414 1
1 103 . 8 1 1 A 9 9 ASN CA C 9 53.190 55.524 -2.334 1
1 104 . 8 1 1 A 9 9 ASN CB C 9 38.913 39.295 -0.382 1
1 106 . 8 1 1 A 9 9 ASN N N 9 119.104 123.483 -4.379 1
1 108 . 8 1 1 A 10 10 ASN H H 10 8.306 8.011 0.295 1
1 109 . 8 1 1 A 10 10 ASN HA H 10 4.964 5.260 -0.296 1
1 114 . 8 1 1 A 10 10 ASN C C 10 174.315 173.671 0.644 1
1 115 . 8 1 1 A 10 10 ASN CA C 10 51.318 50.510 0.808 1
1 116 . 8 1 1 A 10 10 ASN CB C 10 38.992 39.198 -0.206 1
1 118 . 8 1 1 A 10 10 ASN N N 10 119.847 117.426 2.421 1
1 120 . 8 1 1 A 11 11 PRO HA H 11 4.427 4.326 0.101 1
1 127 . 8 1 1 A 11 11 PRO C C 11 177.095 177.963 -0.868 1
1 128 . 8 1 1 A 11 11 PRO CA C 11 64.214 65.727 -1.513 1
1 129 . 8 1 1 A 11 11 PRO CB C 11 32.355 31.913 0.442 1
1 132 . 8 1 1 A 12 12 LEU H H 12 8.102 8.328 -0.226 1
1 133 . 8 1 1 A 12 12 LEU HA H 12 4.320 4.511 -0.191 1
1 143 . 8 1 1 A 12 12 LEU C C 12 177.341 176.924 0.417 1
1 144 . 8 1 1 A 12 12 LEU CA C 12 54.883 54.159 0.724 1
1 145 . 8 1 1 A 12 12 LEU CB C 12 41.300 41.509 -0.209 1
1 149 . 8 1 1 A 12 12 LEU N N 12 117.525 115.163 2.362 1
1 150 . 8 1 1 A 13 13 HIS H H 13 8.004 7.711 0.293 1
1 151 . 8 1 1 A 13 13 HIS HA H 13 4.453 4.327 0.126 1
1 154 . 8 1 1 A 13 13 HIS C C 13 175.375 176.436 -1.061 1
1 155 . 8 1 1 A 13 13 HIS CA C 13 56.796 57.679 -0.883 1
1 156 . 8 1 1 A 13 13 HIS CB C 13 28.248 29.401 -1.153 1
1 157 . 8 1 1 A 13 13 HIS N N 13 117.833 120.941 -3.108 1
1 158 . 8 1 1 A 14 14 GLY H H 14 8.530 8.815 -0.285 1
1 159 . 8 1 1 A 14 14 GLY HA2 H 14 3.930 3.757 0.173 1
1 160 . 8 1 1 A 14 14 GLY HA3 H 14 3.755 3.807 -0.052 1
1 161 . 8 1 1 A 14 14 GLY C C 14 173.536 173.741 -0.205 1
1 162 . 8 1 1 A 14 14 GLY CA C 14 45.529 45.161 0.368 1
1 163 . 8 1 1 A 14 14 GLY N N 14 110.385 114.348 -3.963 1
1 164 . 8 1 1 A 15 15 ILE H H 15 7.563 7.990 -0.427 1
1 165 . 8 1 1 A 15 15 ILE HA H 15 4.392 4.051 0.341 1
1 175 . 8 1 1 A 15 15 ILE C C 15 174.878 175.130 -0.252 1
1 176 . 8 1 1 A 15 15 ILE CA C 15 60.102 60.927 -0.825 1
1 177 . 8 1 1 A 15 15 ILE CB C 15 39.383 37.992 1.391 1
1 181 . 8 1 1 A 15 15 ILE N N 15 120.363 123.232 -2.869 1
1 182 . 8 1 1 A 16 16 THR H H 16 7.643 8.744 -1.101 1
1 183 . 8 1 1 A 16 16 THR HA H 16 4.381 4.698 -0.317 1
1 188 . 8 1 1 A 16 16 THR C C 16 174.950 175.589 -0.639 1
1 189 . 8 1 1 A 16 16 THR CA C 16 60.355 60.125 0.230 1
1 190 . 8 1 1 A 16 16 THR CB C 16 70.834 71.565 -0.731 1
1 192 . 8 1 1 A 16 16 THR N N 16 115.980 119.524 -3.544 1
1 193 . 8 1 1 A 17 17 LEU H H 17 8.712 8.826 -0.114 1
1 194 . 8 1 1 A 17 17 LEU HA H 17 4.029 3.983 0.046 1
1 204 . 8 1 1 A 17 17 LEU C C 17 178.125 178.017 0.108 1
1 205 . 8 1 1 A 17 17 LEU CA C 17 57.582 58.532 -0.950 1
1 206 . 8 1 1 A 17 17 LEU CB C 17 40.906 41.295 -0.389 1
1 210 . 8 1 1 A 17 17 LEU N N 17 123.337 123.656 -0.319 1
1 211 . 8 1 1 A 18 18 GLN H H 18 8.611 8.205 0.406 1
1 212 . 8 1 1 A 18 18 GLN HA H 18 3.774 3.914 -0.140 1
1 219 . 8 1 1 A 18 18 GLN C C 18 178.211 178.224 -0.013 1
1 220 . 8 1 1 A 18 18 GLN CA C 18 60.388 59.275 1.113 1
1 221 . 8 1 1 A 18 18 GLN CB C 18 27.809 28.968 -1.159 1
1 224 . 8 1 1 A 18 18 GLN N N 18 116.423 118.573 -2.150 1
1 226 . 8 1 1 A 19 19 LYS H H 19 7.861 7.717 0.144 1
1 227 . 8 1 1 A 19 19 LYS HA H 19 3.957 4.085 -0.128 1
1 236 . 8 1 1 A 19 19 LYS C C 19 177.806 178.642 -0.836 1
1 237 . 8 1 1 A 19 19 LYS CA C 19 59.684 59.177 0.507 1
1 238 . 8 1 1 A 19 19 LYS CB C 19 32.300 32.163 0.137 1
1 242 . 8 1 1 A 19 19 LYS N N 19 123.583 120.004 3.579 1
1 243 . 8 1 1 A 20 20 LEU H H 20 8.223 8.261 -0.038 1
1 244 . 8 1 1 A 20 20 LEU HA H 20 3.418 3.494 -0.076 1
1 254 . 8 1 1 A 20 20 LEU C C 20 178.417 178.287 0.130 1
1 255 . 8 1 1 A 20 20 LEU CA C 20 59.301 57.961 1.340 1
1 256 . 8 1 1 A 20 20 LEU CB C 20 41.370 41.452 -0.082 1
1 260 . 8 1 1 A 20 20 LEU N N 20 121.397 120.831 0.566 1
1 261 . 8 1 1 A 21 21 LEU H H 21 8.649 8.500 0.149 1
1 262 . 8 1 1 A 21 21 LEU HA H 21 3.872 3.877 -0.005 1
1 272 . 8 1 1 A 21 21 LEU C C 21 178.009 178.477 -0.468 1
1 273 . 8 1 1 A 21 21 LEU CA C 21 58.027 58.077 -0.050 1
1 274 . 8 1 1 A 21 21 LEU CB C 21 42.279 41.450 0.829 1
1 278 . 8 1 1 A 21 21 LEU N N 21 118.999 119.604 -0.605 1
1 279 . 8 1 1 A 22 22 THR H H 22 8.025 7.832 0.193 1
1 280 . 8 1 1 A 22 22 THR HA H 22 3.592 3.767 -0.175 1
1 285 . 8 1 1 A 22 22 THR C C 22 176.358 176.234 0.124 1
1 286 . 8 1 1 A 22 22 THR CA C 22 67.879 66.747 1.132 1
1 287 . 8 1 1 A 22 22 THR CB C 22 68.717 68.586 0.131 1
1 289 . 8 1 1 A 22 22 THR N N 22 115.015 114.790 0.225 1
1 290 . 8 1 1 A 23 23 GLU H H 23 8.158 8.399 -0.241 1
1 291 . 8 1 1 A 23 23 GLU HA H 23 4.068 3.996 0.072 1
1 296 . 8 1 1 A 23 23 GLU C C 23 180.091 179.853 0.238 1
1 297 . 8 1 1 A 23 23 GLU CA C 23 59.845 59.322 0.523 1
1 298 . 8 1 1 A 23 23 GLU CB C 23 29.101 29.209 -0.108 1
1 300 . 8 1 1 A 23 23 GLU N N 23 120.691 119.191 1.500 1
1 301 . 8 1 1 A 24 24 LEU H H 24 8.121 8.086 0.035 1
1 302 . 8 1 1 A 24 24 LEU HA H 24 4.140 4.267 -0.127 1
1 312 . 8 1 1 A 24 24 LEU C C 24 179.047 178.995 0.052 1
1 313 . 8 1 1 A 24 24 LEU CA C 24 58.438 58.039 0.399 1
1 314 . 8 1 1 A 24 24 LEU CB C 24 42.715 41.726 0.989 1
1 318 . 8 1 1 A 24 24 LEU N N 24 119.210 120.253 -1.043 1
1 319 . 8 1 1 A 25 25 VAL H H 25 8.577 8.162 0.415 1
1 320 . 8 1 1 A 25 25 VAL HA H 25 2.698 3.185 -0.487 1
1 328 . 8 1 1 A 25 25 VAL C C 25 179.143 177.725 1.418 1
1 329 . 8 1 1 A 25 25 VAL CA C 25 67.077 66.577 0.500 1
1 330 . 8 1 1 A 25 25 VAL CB C 25 31.127 30.871 0.256 1
1 333 . 8 1 1 A 25 25 VAL N N 25 122.036 119.656 2.380 1
1 334 . 8 1 1 A 26 26 GLU H H 26 8.216 8.336 -0.120 1
1 335 . 8 1 1 A 26 26 GLU HA H 26 3.858 4.007 -0.149 1
1 340 . 8 1 1 A 26 26 GLU C C 26 177.409 178.473 -1.064 1
1 341 . 8 1 1 A 26 26 GLU CA C 26 59.105 59.090 0.015 1
1 342 . 8 1 1 A 26 26 GLU CB C 26 29.025 29.486 -0.461 1
1 344 . 8 1 1 A 26 26 GLU N N 26 119.262 119.056 0.206 1
1 345 . 8 1 1 A 27 27 HIS H H 27 7.815 8.086 -0.271 1
1 346 . 8 1 1 A 27 27 HIS HA H 27 4.183 4.149 0.034 1
1 349 . 8 1 1 A 27 27 HIS C C 27 175.618 176.545 -0.927 1
1 350 . 8 1 1 A 27 27 HIS CA C 27 58.932 59.171 -0.239 1
1 351 . 8 1 1 A 27 27 HIS CB C 27 29.358 30.527 -1.169 1
1 352 . 8 1 1 A 27 27 HIS N N 27 114.100 121.712 -7.612 1
1 353 . 8 1 1 A 28 28 TYR H H 28 8.628 8.398 0.230 1
1 354 . 8 1 1 A 28 28 TYR HA H 28 4.424 4.206 0.218 1
1 361 . 8 1 1 A 28 28 TYR C C 28 177.445 176.489 0.956 1
1 362 . 8 1 1 A 28 28 TYR CA C 28 60.294 60.706 -0.412 1
1 363 . 8 1 1 A 28 28 TYR CB C 28 40.851 38.826 2.025 1
1 368 . 8 1 1 A 28 28 TYR N N 28 113.706 115.201 -1.495 1
1 369 . 8 1 1 A 29 29 GLY H H 29 7.713 7.740 -0.027 1
1 370 . 8 1 1 A 29 29 GLY HA2 H 29 4.366 3.940 0.426 1
1 371 . 8 1 1 A 29 29 GLY HA3 H 29 3.846 4.059 -0.213 1
1 372 . 8 1 1 A 29 29 GLY C C 29 172.549 175.168 -2.619 1
1 373 . 8 1 1 A 29 29 GLY CA C 29 44.258 44.579 -0.321 1
1 374 . 8 1 1 A 29 29 GLY N N 29 107.840 105.763 2.077 1
1 375 . 8 1 1 A 30 30 TRP H H 30 7.960 8.639 -0.679 1
1 376 . 8 1 1 A 30 30 TRP HA H 30 4.136 4.162 -0.026 1
1 385 . 8 1 1 A 30 30 TRP C C 30 178.090 178.697 -0.607 1
1 386 . 8 1 1 A 30 30 TRP CA C 30 60.502 59.913 0.589 1
1 387 . 8 1 1 A 30 30 TRP CB C 30 30.304 28.923 1.381 1
1 393 . 8 1 1 A 30 30 TRP N N 30 118.175 121.921 -3.746 1
1 395 . 8 1 1 A 31 31 GLU H H 31 8.549 8.418 0.131 1
1 396 . 8 1 1 A 31 31 GLU HA H 31 3.992 3.972 0.020 1
1 401 . 8 1 1 A 31 31 GLU C C 31 179.942 179.502 0.440 1
1 402 . 8 1 1 A 31 31 GLU CA C 31 60.090 60.054 0.036 1
1 403 . 8 1 1 A 31 31 GLU CB C 31 28.474 29.562 -1.088 1
1 405 . 8 1 1 A 31 31 GLU N N 31 118.099 119.648 -1.549 1
1 406 . 8 1 1 A 32 32 GLU H H 32 8.962 8.085 0.877 1
1 407 . 8 1 1 A 32 32 GLU HA H 32 4.137 4.191 -0.054 1
1 412 . 8 1 1 A 32 32 GLU C C 32 179.651 179.326 0.325 1
1 413 . 8 1 1 A 32 32 GLU CA C 32 58.745 59.075 -0.330 1
1 414 . 8 1 1 A 32 32 GLU CB C 32 28.145 29.561 -1.416 1
1 416 . 8 1 1 A 32 32 GLU N N 32 120.094 120.279 -0.185 1
1 417 . 8 1 1 A 33 33 LEU H H 33 7.748 8.234 -0.486 1
1 418 . 8 1 1 A 33 33 LEU HA H 33 3.922 3.891 0.031 1
1 428 . 8 1 1 A 33 33 LEU C C 33 178.833 179.395 -0.562 1
1 429 . 8 1 1 A 33 33 LEU CA C 33 58.577 57.731 0.846 1
1 430 . 8 1 1 A 33 33 LEU CB C 33 41.269 41.322 -0.053 1
1 434 . 8 1 1 A 33 33 LEU N N 33 118.890 120.958 -2.068 1
1 435 . 8 1 1 A 34 34 SER H H 34 8.607 8.400 0.207 1
1 436 . 8 1 1 A 34 34 SER HA H 34 4.642 4.589 0.053 1
1 439 . 8 1 1 A 34 34 SER C C 34 175.346 176.616 -1.270 1
1 440 . 8 1 1 A 34 34 SER CA C 34 61.247 60.467 0.780 1
1 441 . 8 1 1 A 34 34 SER CB C 34 63.043 63.323 -0.280 1
1 442 . 8 1 1 A 34 34 SER N N 34 114.464 114.438 0.026 1
1 443 . 8 1 1 A 35 35 TYR H H 35 7.395 7.982 -0.587 1
1 444 . 8 1 1 A 35 35 TYR HA H 35 4.537 4.293 0.244 1
1 451 . 8 1 1 A 35 35 TYR C C 35 177.940 177.679 0.261 1
1 452 . 8 1 1 A 35 35 TYR CA C 35 58.907 61.520 -2.613 1
1 453 . 8 1 1 A 35 35 TYR CB C 35 37.852 38.588 -0.736 1
1 458 . 8 1 1 A 35 35 TYR N N 35 120.804 123.143 -2.339 1
1 459 . 8 1 1 A 36 36 MET H H 36 7.840 8.366 -0.526 1
1 460 . 8 1 1 A 36 36 MET HA H 36 4.158 4.405 -0.247 1
1 468 . 8 1 1 A 36 36 MET C C 36 177.049 176.874 0.175 1
1 469 . 8 1 1 A 36 36 MET CA C 36 58.684 58.928 -0.244 1
1 470 . 8 1 1 A 36 36 MET CB C 36 34.927 33.767 1.160 1
1 473 . 8 1 1 A 36 36 MET N N 36 118.425 117.596 0.829 1
1 474 . 8 1 1 A 37 37 VAL H H 37 8.469 7.925 0.544 1
1 475 . 8 1 1 A 37 37 VAL HA H 37 4.265 4.300 -0.035 1
1 483 . 8 1 1 A 37 37 VAL C C 37 173.959 175.280 -1.321 1
1 484 . 8 1 1 A 37 37 VAL CA C 37 61.621 62.292 -0.671 1
1 485 . 8 1 1 A 37 37 VAL CB C 37 32.527 31.100 1.427 1
1 488 . 8 1 1 A 37 37 VAL N N 37 117.997 118.983 -0.986 1
1 489 . 8 1 1 A 38 38 ASN H H 38 8.677 9.178 -0.501 1
1 490 . 8 1 1 A 38 38 ASN HA H 38 4.948 4.881 0.067 1
1 495 . 8 1 1 A 38 38 ASN C C 38 174.710 174.187 0.523 1
1 496 . 8 1 1 A 38 38 ASN CA C 38 53.444 52.779 0.665 1
1 497 . 8 1 1 A 38 38 ASN CB C 38 37.001 37.191 -0.190 1
1 499 . 8 1 1 A 38 38 ASN N N 38 123.121 126.559 -3.438 1
1 501 . 8 1 1 A 39 39 ILE H H 39 7.744 8.168 -0.424 1
1 502 . 8 1 1 A 39 39 ILE HA H 39 4.655 4.797 -0.142 1
1 512 . 8 1 1 A 39 39 ILE C C 39 176.996 175.835 1.161 1
1 513 . 8 1 1 A 39 39 ILE CA C 39 59.201 58.462 0.739 1
1 514 . 8 1 1 A 39 39 ILE CB C 39 40.558 41.622 -1.064 1
1 518 . 8 1 1 A 39 39 ILE N N 39 115.722 122.005 -6.283 1
1 519 . 8 1 1 A 40 40 ASN H H 40 8.881 8.832 0.049 1
1 520 . 8 1 1 A 40 40 ASN HA H 40 4.192 4.291 -0.099 1
1 525 . 8 1 1 A 40 40 ASN C C 40 177.705 176.503 1.202 1
1 526 . 8 1 1 A 40 40 ASN CA C 40 56.883 55.416 1.467 1
1 527 . 8 1 1 A 40 40 ASN CB C 40 38.313 38.156 0.157 1
1 529 . 8 1 1 A 40 40 ASN N N 40 124.600 121.516 3.084 1
1 531 . 8 1 1 A 41 41 CYS H H 41 8.034 7.668 0.366 1
1 532 . 8 1 1 A 41 41 CYS HA H 41 4.373 3.596 0.777 1
1 535 . 8 1 1 A 41 41 CYS C C 41 174.303 176.372 -2.069 1
1 536 . 8 1 1 A 41 41 CYS CA C 41 59.164 62.681 -3.517 1
1 537 . 8 1 1 A 41 41 CYS CB C 41 26.126 26.219 -0.093 1
1 538 . 8 1 1 A 41 41 CYS N N 41 115.097 118.106 -3.009 1
1 539 . 8 1 1 A 42 42 PHE H H 42 7.031 7.433 -0.402 1
1 540 . 8 1 1 A 42 42 PHE HA H 42 4.937 4.596 0.341 1
1 548 . 8 1 1 A 42 42 PHE C C 42 174.437 176.552 -2.115 1
1 549 . 8 1 1 A 42 42 PHE CA C 42 54.439 58.375 -3.936 1
1 550 . 8 1 1 A 42 42 PHE CB C 42 38.059 38.616 -0.557 1
1 556 . 8 1 1 A 42 42 PHE N N 42 117.304 117.804 -0.500 1
1 557 . 8 1 1 A 43 43 LYS H H 43 7.371 7.723 -0.352 1
1 558 . 8 1 1 A 43 43 LYS HA H 43 4.304 4.410 -0.106 1
1 567 . 8 1 1 A 43 43 LYS C C 43 175.800 176.656 -0.856 1
1 568 . 8 1 1 A 43 43 LYS CA C 43 57.474 57.030 0.444 1
1 569 . 8 1 1 A 43 43 LYS CB C 43 34.978 34.631 0.347 1
1 573 . 8 1 1 A 43 43 LYS N N 43 116.029 116.605 -0.576 1
1 574 . 8 1 1 A 44 44 LYS H H 44 7.593 8.167 -0.574 1
1 575 . 8 1 1 A 44 44 LYS HA H 44 4.302 4.241 0.061 1
1 584 . 8 1 1 A 44 44 LYS C C 44 173.608 175.957 -2.349 1
1 585 . 8 1 1 A 44 44 LYS CA C 44 55.169 55.307 -0.138 1
1 586 . 8 1 1 A 44 44 LYS CB C 44 33.123 33.580 -0.457 1
1 590 . 8 1 1 A 44 44 LYS N N 44 119.851 119.054 0.797 1
1 591 . 8 1 1 A 45 45 ASP H H 45 8.774 8.860 -0.086 1
1 592 . 8 1 1 A 45 45 ASP HA H 45 4.200 4.069 0.131 1
1 595 . 8 1 1 A 45 45 ASP C C 45 172.128 174.799 -2.671 1
1 596 . 8 1 1 A 45 45 ASP CA C 45 53.963 54.547 -0.584 1
1 597 . 8 1 1 A 45 45 ASP CB C 45 40.263 39.326 0.937 1
1 598 . 8 1 1 A 45 45 ASP N N 45 122.276 122.692 -0.416 1
1 599 . 8 1 1 A 46 46 PRO HA H 46 3.930 3.875 0.055 1
1 606 . 8 1 1 A 46 46 PRO C C 46 176.968 175.598 1.370 1
1 607 . 8 1 1 A 46 46 PRO CA C 46 62.964 62.275 0.689 1
1 608 . 8 1 1 A 46 46 PRO CB C 46 30.892 30.620 0.272 1
1 611 . 8 1 1 A 47 47 SER H H 47 8.018 8.119 -0.101 1
1 612 . 8 1 1 A 47 47 SER HA H 47 4.676 4.813 -0.137 1
1 615 . 8 1 1 A 47 47 SER C C 47 175.465 174.070 1.395 1
1 616 . 8 1 1 A 47 47 SER CA C 47 57.014 57.755 -0.741 1
1 617 . 8 1 1 A 47 47 SER CB C 47 66.436 66.769 -0.333 1
1 618 . 8 1 1 A 47 47 SER N N 47 112.273 118.451 -6.178 1
1 619 . 8 1 1 A 48 48 ILE H H 48 9.489 9.125 0.364 1
1 620 . 8 1 1 A 48 48 ILE HA H 48 4.013 4.162 -0.149 1
1 630 . 8 1 1 A 48 48 ILE C C 48 177.681 177.877 -0.196 1
1 631 . 8 1 1 A 48 48 ILE CA C 48 64.456 66.117 -1.661 1
1 632 . 8 1 1 A 48 48 ILE CB C 48 36.382 38.122 -1.740 1
1 636 . 8 1 1 A 48 48 ILE N N 48 126.826 125.247 1.579 1
1 637 . 8 1 1 A 49 49 LYS H H 49 8.735 8.332 0.403 1
1 638 . 8 1 1 A 49 49 LYS HA H 49 3.984 3.979 0.005 1
1 647 . 8 1 1 A 49 49 LYS C C 49 179.784 178.688 1.096 1
1 648 . 8 1 1 A 49 49 LYS CA C 49 60.562 59.640 0.922 1
1 649 . 8 1 1 A 49 49 LYS CB C 49 32.533 32.304 0.229 1
1 653 . 8 1 1 A 49 49 LYS N N 49 118.592 121.349 -2.757 1
1 654 . 8 1 1 A 50 50 SER H H 50 8.065 7.774 0.291 1
1 655 . 8 1 1 A 50 50 SER HA H 50 4.270 4.201 0.069 1
1 658 . 8 1 1 A 50 50 SER C C 50 178.135 177.384 0.751 1
1 659 . 8 1 1 A 50 50 SER CA C 50 61.431 61.587 -0.156 1
1 660 . 8 1 1 A 50 50 SER CB C 50 62.672 62.745 -0.073 1
1 661 . 8 1 1 A 50 50 SER N N 50 114.354 114.889 -0.535 1
1 662 . 8 1 1 A 51 51 SER H H 51 8.300 8.274 0.026 1
1 663 . 8 1 1 A 51 51 SER HA H 51 4.681 4.343 0.338 1
1 666 . 8 1 1 A 51 51 SER C C 51 176.245 177.447 -1.202 1
1 667 . 8 1 1 A 51 51 SER CA C 51 63.327 61.810 1.517 1
1 668 . 8 1 1 A 51 51 SER CB C 51 64.340 63.423 0.917 1
1 669 . 8 1 1 A 51 51 SER N N 51 120.855 115.571 5.284 1
1 670 . 8 1 1 A 52 52 LEU H H 52 8.849 8.553 0.296 1
1 671 . 8 1 1 A 52 52 LEU HA H 52 3.902 3.980 -0.078 1
1 681 . 8 1 1 A 52 52 LEU C C 52 178.339 178.809 -0.470 1
1 682 . 8 1 1 A 52 52 LEU CA C 52 58.600 58.197 0.403 1
1 683 . 8 1 1 A 52 52 LEU CB C 52 41.685 41.517 0.168 1
1 687 . 8 1 1 A 52 52 LEU N N 52 122.627 121.674 0.953 1
1 688 . 8 1 1 A 53 53 LYS H H 53 7.268 8.031 -0.763 1
1 689 . 8 1 1 A 53 53 LYS HA H 53 3.957 3.967 -0.010 1
1 698 . 8 1 1 A 53 53 LYS C C 53 178.750 178.885 -0.135 1
1 699 . 8 1 1 A 53 53 LYS CA C 53 59.867 59.512 0.355 1
1 700 . 8 1 1 A 53 53 LYS CB C 53 32.475 32.225 0.250 1
1 704 . 8 1 1 A 53 53 LYS N N 53 117.100 120.501 -3.401 1
1 705 . 8 1 1 A 54 54 PHE H H 54 7.388 7.854 -0.466 1
1 706 . 8 1 1 A 54 54 PHE HA H 54 4.167 4.075 0.092 1
1 714 . 8 1 1 A 54 54 PHE C C 54 178.975 177.008 1.967 1
1 715 . 8 1 1 A 54 54 PHE CA C 54 61.515 61.169 0.346 1
1 716 . 8 1 1 A 54 54 PHE CB C 54 39.619 39.286 0.333 1
1 722 . 8 1 1 A 54 54 PHE N N 54 117.704 120.739 -3.035 1
1 723 . 8 1 1 A 55 55 LEU H H 55 9.142 8.404 0.738 1
1 724 . 8 1 1 A 55 55 LEU HA H 55 3.720 3.741 -0.021 1
1 734 . 8 1 1 A 55 55 LEU C C 55 178.763 179.177 -0.414 1
1 735 . 8 1 1 A 55 55 LEU CA C 55 57.656 57.459 0.197 1
1 736 . 8 1 1 A 55 55 LEU CB C 55 42.837 41.175 1.662 1
1 740 . 8 1 1 A 55 55 LEU N N 55 120.396 118.571 1.825 1
1 741 . 8 1 1 A 56 56 ARG H H 56 8.338 8.285 0.053 1
1 742 . 8 1 1 A 56 56 ARG HA H 56 3.855 3.993 -0.138 1
1 750 . 8 1 1 A 56 56 ARG C C 56 176.697 178.352 -1.655 1
1 751 . 8 1 1 A 56 56 ARG CA C 56 59.452 59.425 0.027 1
1 752 . 8 1 1 A 56 56 ARG CB C 56 30.239 29.679 0.560 1
1 755 . 8 1 1 A 56 56 ARG N N 56 116.866 119.362 -2.496 1
1 757 . 8 1 1 A 57 57 LYS H H 57 6.770 7.808 -1.038 1
1 758 . 8 1 1 A 57 57 LYS HA H 57 4.542 4.255 0.287 1
1 767 . 8 1 1 A 57 57 LYS C C 57 176.148 176.159 -0.011 1
1 768 . 8 1 1 A 57 57 LYS CA C 57 55.545 57.575 -2.030 1
1 769 . 8 1 1 A 57 57 LYS CB C 57 33.805 33.101 0.704 1
1 773 . 8 1 1 A 57 57 LYS N N 57 113.205 117.085 -3.880 1
1 774 . 8 1 1 A 58 58 THR H H 58 6.908 7.830 -0.922 1
1 775 . 8 1 1 A 58 58 THR HA H 58 4.212 4.313 -0.101 1
1 780 . 8 1 1 A 58 58 THR C C 58 173.643 173.839 -0.196 1
1 781 . 8 1 1 A 58 58 THR CA C 58 60.688 61.044 -0.356 1
1 782 . 8 1 1 A 58 58 THR CB C 58 67.557 67.337 0.220 1
1 784 . 8 1 1 A 58 58 THR N N 58 117.915 114.187 3.728 1
1 785 . 8 1 1 A 59 59 ASP H H 59 8.789 8.656 0.133 1
1 786 . 8 1 1 A 59 59 ASP HA H 59 4.128 4.178 -0.050 1
1 789 . 8 1 1 A 59 59 ASP C C 59 178.565 178.827 -0.262 1
1 790 . 8 1 1 A 59 59 ASP CA C 59 58.506 57.748 0.758 1
1 791 . 8 1 1 A 59 59 ASP CB C 59 39.530 40.434 -0.904 1
1 792 . 8 1 1 A 59 59 ASP N N 59 128.511 126.673 1.838 1
1 793 . 8 1 1 A 60 60 TRP H H 60 8.638 8.482 0.156 1
1 794 . 8 1 1 A 60 60 TRP HA H 60 4.375 4.433 -0.058 1
1 803 . 8 1 1 A 60 60 TRP C C 60 178.277 178.784 -0.507 1
1 804 . 8 1 1 A 60 60 TRP CA C 60 59.183 60.397 -1.214 1
1 805 . 8 1 1 A 60 60 TRP CB C 60 26.962 28.150 -1.188 1
1 811 . 8 1 1 A 60 60 TRP N N 60 117.515 119.233 -1.718 1
1 813 . 8 1 1 A 61 61 ALA H H 61 5.533 7.336 -1.803 1
1 814 . 8 1 1 A 61 61 ALA HA H 61 3.414 3.334 0.080 1
1 818 . 8 1 1 A 61 61 ALA C C 61 177.616 179.505 -1.889 1
1 819 . 8 1 1 A 61 61 ALA CA C 61 54.478 54.845 -0.367 1
1 820 . 8 1 1 A 61 61 ALA CB C 61 17.904 17.336 0.568 1
1 821 . 8 1 1 A 61 61 ALA N N 61 125.465 123.475 1.990 1
1 822 . 8 1 1 A 62 62 ARG H H 62 7.811 7.376 0.435 1
1 823 . 8 1 1 A 62 62 ARG HA H 62 3.617 3.984 -0.367 1
1 831 . 8 1 1 A 62 62 ARG C C 62 177.918 178.865 -0.947 1
1 832 . 8 1 1 A 62 62 ARG CA C 62 60.708 59.423 1.285 1
1 833 . 8 1 1 A 62 62 ARG CB C 62 29.156 29.888 -0.732 1
1 836 . 8 1 1 A 62 62 ARG N N 62 120.420 118.484 1.936 1
1 838 . 8 1 1 A 63 63 GLU H H 63 8.412 8.367 0.045 1
1 839 . 8 1 1 A 63 63 GLU HA H 63 4.041 4.040 0.001 1
1 844 . 8 1 1 A 63 63 GLU C C 63 178.935 179.678 -0.743 1
1 845 . 8 1 1 A 63 63 GLU CA C 63 59.509 59.466 0.043 1
1 846 . 8 1 1 A 63 63 GLU CB C 63 28.759 29.287 -0.528 1
1 848 . 8 1 1 A 63 63 GLU N N 63 117.144 117.657 -0.513 1
1 849 . 8 1 1 A 64 64 ARG H H 64 7.603 7.639 -0.036 1
1 850 . 8 1 1 A 64 64 ARG HA H 64 4.256 4.130 0.126 1
1 858 . 8 1 1 A 64 64 ARG C C 64 179.133 178.575 0.558 1
1 859 . 8 1 1 A 64 64 ARG CA C 64 59.340 59.510 -0.170 1
1 860 . 8 1 1 A 64 64 ARG CB C 64 30.067 30.843 -0.776 1
1 863 . 8 1 1 A 64 64 ARG N N 64 118.298 120.079 -1.781 1
1 865 . 8 1 1 A 65 65 VAL H H 65 8.065 7.963 0.102 1
1 866 . 8 1 1 A 65 65 VAL HA H 65 3.713 3.536 0.177 1
1 874 . 8 1 1 A 65 65 VAL C C 65 177.638 177.776 -0.138 1
1 875 . 8 1 1 A 65 65 VAL CA C 65 66.891 66.778 0.113 1
1 876 . 8 1 1 A 65 65 VAL CB C 65 31.480 31.580 -0.100 1
1 879 . 8 1 1 A 65 65 VAL N N 65 117.270 120.282 -3.012 1
1 880 . 8 1 1 A 66 66 GLU H H 66 8.583 9.025 -0.442 1
1 881 . 8 1 1 A 66 66 GLU HA H 66 3.912 3.986 -0.074 1
1 886 . 8 1 1 A 66 66 GLU C C 66 178.380 178.954 -0.574 1
1 887 . 8 1 1 A 66 66 GLU CA C 66 60.256 59.804 0.452 1
1 888 . 8 1 1 A 66 66 GLU CB C 66 28.691 29.063 -0.372 1
1 890 . 8 1 1 A 66 66 GLU N N 66 119.924 118.629 1.295 1
1 891 . 8 1 1 A 67 67 ASN H H 67 8.267 7.957 0.310 1
1 892 . 8 1 1 A 67 67 ASN HA H 67 4.567 4.475 0.092 1
1 897 . 8 1 1 A 67 67 ASN C C 67 178.338 177.977 0.361 1
1 898 . 8 1 1 A 67 67 ASN CA C 67 56.900 57.023 -0.123 1
1 899 . 8 1 1 A 67 67 ASN CB C 67 38.802 39.810 -1.008 1
1 901 . 8 1 1 A 67 67 ASN N N 67 117.574 118.045 -0.471 1
1 903 . 8 1 1 A 68 68 ILE H H 68 8.132 7.777 0.355 1
1 904 . 8 1 1 A 68 68 ILE HA H 68 3.726 3.583 0.143 1
1 914 . 8 1 1 A 68 68 ILE C C 68 178.722 178.128 0.594 1
1 915 . 8 1 1 A 68 68 ILE CA C 68 65.388 65.341 0.047 1
1 916 . 8 1 1 A 68 68 ILE CB C 68 37.841 37.458 0.383 1
1 920 . 8 1 1 A 68 68 ILE N N 68 121.125 119.354 1.771 1
1 921 . 8 1 1 A 69 69 TYR H H 69 8.146 8.098 0.048 1
1 922 . 8 1 1 A 69 69 TYR HA H 69 4.058 4.217 -0.159 1
1 929 . 8 1 1 A 69 69 TYR C C 69 177.061 177.248 -0.187 1
1 930 . 8 1 1 A 69 69 TYR CA C 69 62.828 61.176 1.652 1
1 931 . 8 1 1 A 69 69 TYR CB C 69 38.747 38.517 0.230 1
1 936 . 8 1 1 A 69 69 TYR N N 69 121.378 121.416 -0.038 1
1 937 . 8 1 1 A 70 70 LEU H H 70 8.630 8.663 -0.033 1
1 938 . 8 1 1 A 70 70 LEU HA H 70 3.875 3.876 -0.001 1
1 948 . 8 1 1 A 70 70 LEU C C 70 179.755 179.785 -0.030 1
1 949 . 8 1 1 A 70 70 LEU CA C 70 58.230 58.100 0.130 1
1 950 . 8 1 1 A 70 70 LEU CB C 70 41.733 41.484 0.249 1
1 954 . 8 1 1 A 70 70 LEU N N 70 120.179 119.757 0.422 1
1 955 . 8 1 1 A 71 71 LYS H H 71 7.950 8.495 -0.545 1
1 956 . 8 1 1 A 71 71 LYS HA H 71 3.957 4.008 -0.051 1
1 965 . 8 1 1 A 71 71 LYS C C 71 178.961 178.774 0.187 1
1 966 . 8 1 1 A 71 71 LYS CA C 71 59.684 59.428 0.256 1
1 967 . 8 1 1 A 71 71 LYS CB C 71 32.421 32.132 0.289 1
1 971 . 8 1 1 A 71 71 LYS N N 71 118.820 120.680 -1.860 1
1 972 . 8 1 1 A 72 72 LEU H H 72 7.731 7.560 0.171 1
1 973 . 8 1 1 A 72 72 LEU HA H 72 4.037 4.094 -0.057 1
1 983 . 8 1 1 A 72 72 LEU C C 72 178.533 178.577 -0.044 1
1 984 . 8 1 1 A 72 72 LEU CA C 72 57.352 57.429 -0.077 1
1 985 . 8 1 1 A 72 72 LEU CB C 72 41.406 41.711 -0.305 1
1 989 . 8 1 1 A 72 72 LEU N N 72 121.367 120.855 0.512 1
1 990 . 8 1 1 A 73 73 GLN H H 73 7.884 7.975 -0.091 1
1 991 . 8 1 1 A 73 73 GLN HA H 73 3.852 3.885 -0.033 1
1 998 . 8 1 1 A 73 73 GLN C C 73 177.679 178.954 -1.275 1
1 999 . 8 1 1 A 73 73 GLN CA C 73 57.026 59.194 -2.168 1
1 1000 . 8 1 1 A 73 73 GLN CB C 73 28.148 27.983 0.165 1
1 1003 . 8 1 1 A 73 73 GLN N N 73 116.639 119.098 -2.459 1
1 1005 . 8 1 1 A 74 74 ARG H H 74 7.725 8.032 -0.307 1
1 1006 . 8 1 1 A 74 74 ARG HA H 74 4.136 4.172 -0.036 1
1 1013 . 8 1 1 A 74 74 ARG C C 74 177.235 178.087 -0.852 1
1 1014 . 8 1 1 A 74 74 ARG CA C 74 57.452 58.098 -0.646 1
1 1015 . 8 1 1 A 74 74 ARG CB C 74 30.308 29.085 1.223 1
1 1018 . 8 1 1 A 74 74 ARG N N 74 118.122 118.852 -0.730 1
1 1019 . 8 1 1 A 75 75 HIS H H 75 7.982 7.906 0.076 1
1 1020 . 8 1 1 A 75 75 HIS HA H 75 4.564 4.264 0.300 1
1 1023 . 8 1 1 A 75 75 HIS C C 75 175.202 175.227 -0.025 1
1 1024 . 8 1 1 A 75 75 HIS CA C 75 56.587 58.083 -1.496 1
1 1025 . 8 1 1 A 75 75 HIS CB C 75 28.477 30.626 -2.149 1
1 1026 . 8 1 1 A 75 75 HIS N N 75 117.995 119.798 -1.803 1
1 1027 . 8 1 1 A 76 76 LYS H H 76 8.180 7.297 0.883 1
1 1028 . 8 1 1 A 76 76 LYS HA H 76 4.148 4.256 -0.108 1
1 1037 . 8 1 1 A 76 76 LYS C C 76 177.303 176.307 0.996 1
1 1038 . 8 1 1 A 76 76 LYS CA C 76 57.550 55.648 1.902 1
1 1039 . 8 1 1 A 76 76 LYS CB C 76 32.789 31.324 1.465 1
1 1043 . 8 1 1 A 76 76 LYS N N 76 121.510 118.170 3.340 1
1 1044 . 8 1 1 A 77 77 GLU H H 77 8.321 8.127 0.194 1
1 1045 . 8 1 1 A 77 77 GLU HA H 77 4.224 4.388 -0.164 1
1 1050 . 8 1 1 A 77 77 GLU C C 77 177.067 175.673 1.394 1
1 1051 . 8 1 1 A 77 77 GLU CA C 77 56.991 56.171 0.820 1
1 1052 . 8 1 1 A 77 77 GLU CB C 77 29.841 28.516 1.325 1
1 1054 . 8 1 1 A 77 77 GLU N N 77 120.860 123.841 -2.981 1
1 1055 . 8 1 1 A 78 78 ARG H H 78 8.228 8.143 0.085 1
1 1056 . 8 1 1 A 78 78 ARG HA H 78 4.240 4.386 -0.146 1
1 1063 . 8 1 1 A 78 78 ARG C C 78 176.577 176.266 0.311 1
1 1064 . 8 1 1 A 78 78 ARG CA C 78 56.786 55.861 0.925 1
1 1065 . 8 1 1 A 78 78 ARG CB C 78 30.413 30.817 -0.404 1
1 1068 . 8 1 1 A 78 78 ARG N N 78 121.081 124.864 -3.783 1
1 1069 . 8 1 1 A 79 79 ASN H H 79 8.333 8.652 -0.319 1
1 1070 . 8 1 1 A 79 79 ASN HA H 79 4.617 4.678 -0.061 1
1 1075 . 8 1 1 A 79 79 ASN C C 79 175.605 174.870 0.735 1
1 1076 . 8 1 1 A 79 79 ASN CA C 79 53.938 53.631 0.307 1
1 1077 . 8 1 1 A 79 79 ASN CB C 79 38.748 39.232 -0.484 1
1 1079 . 8 1 1 A 79 79 ASN N N 79 118.880 120.993 -2.113 1
1 1081 . 8 1 1 A 80 80 GLN H H 80 8.285 8.749 -0.464 1
1 1082 . 8 1 1 A 80 80 GLN HA H 80 4.253 4.840 -0.587 1
1 1089 . 8 1 1 A 80 80 GLN C C 80 176.304 175.323 0.981 1
1 1090 . 8 1 1 A 80 80 GLN CA C 80 56.545 53.552 2.993 1
1 1091 . 8 1 1 A 80 80 GLN CB C 80 29.274 30.709 -1.435 1
1 1094 . 8 1 1 A 80 80 GLN N N 80 120.222 117.048 3.174 1
1 1096 . 8 1 1 A 81 81 LEU H H 81 8.130 8.246 -0.116 1
1 1097 . 8 1 1 A 81 81 LEU HA H 81 4.222 4.472 -0.250 1
1 1107 . 8 1 1 A 81 81 LEU C C 81 177.542 177.410 0.132 1
1 1108 . 8 1 1 A 81 81 LEU CA C 81 55.736 53.580 2.156 1
1 1109 . 8 1 1 A 81 81 LEU CB C 81 42.196 44.048 -1.852 1
1 1113 . 8 1 1 A 81 81 LEU N N 81 122.119 118.615 3.504 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.081 3.852 0.229 1
1 5 . 9 1 1 A 2 2 ALA C C 2 173.423 177.754 -4.331 1
1 6 . 9 1 1 A 2 2 ALA CA C 2 51.798 55.081 -3.283 1
1 7 . 9 1 1 A 2 2 ALA CB C 2 19.502 17.774 1.728 1
1 8 . 9 1 1 A 3 3 LEU H H 3 8.547 8.328 0.219 1
1 9 . 9 1 1 A 3 3 LEU HA H 3 4.394 4.318 0.076 1
1 19 . 9 1 1 A 3 3 LEU C C 3 176.779 176.061 0.718 1
1 20 . 9 1 1 A 3 3 LEU CA C 3 55.226 54.611 0.615 1
1 21 . 9 1 1 A 3 3 LEU CB C 3 42.472 41.925 0.547 1
1 25 . 9 1 1 A 3 3 LEU N N 3 122.089 117.158 4.931 1
1 26 . 9 1 1 A 4 4 ILE H H 4 8.319 7.870 0.449 1
1 27 . 9 1 1 A 4 4 ILE HA H 4 4.167 3.642 0.525 1
1 37 . 9 1 1 A 4 4 ILE C C 4 176.138 175.058 1.080 1
1 38 . 9 1 1 A 4 4 ILE CA C 4 60.894 62.401 -1.507 1
1 39 . 9 1 1 A 4 4 ILE CB C 4 38.595 35.995 2.600 1
1 43 . 9 1 1 A 4 4 ILE N N 4 123.468 116.737 6.731 1
1 44 . 9 1 1 A 5 5 MET H H 5 8.574 8.043 0.531 1
1 45 . 9 1 1 A 5 5 MET HA H 5 4.584 4.648 -0.064 1
1 50 . 9 1 1 A 5 5 MET C C 5 176.274 175.776 0.498 1
1 51 . 9 1 1 A 5 5 MET CA C 5 55.348 54.184 1.164 1
1 52 . 9 1 1 A 5 5 MET CB C 5 32.961 30.858 2.103 1
1 54 . 9 1 1 A 5 5 MET N N 5 125.527 121.399 4.128 1
1 55 . 9 1 1 A 6 6 THR H H 6 8.172 8.222 -0.050 1
1 56 . 9 1 1 A 6 6 THR HA H 6 4.331 4.331 0.000 1
1 61 . 9 1 1 A 6 6 THR C C 6 174.578 174.821 -0.243 1
1 62 . 9 1 1 A 6 6 THR CA C 6 61.849 64.326 -2.477 1
1 63 . 9 1 1 A 6 6 THR CB C 6 69.904 69.951 -0.047 1
1 65 . 9 1 1 A 6 6 THR N N 6 115.487 119.736 -4.249 1
1 66 . 9 1 1 A 7 7 GLN H H 7 8.461 7.764 0.697 1
1 67 . 9 1 1 A 7 7 GLN HA H 7 4.317 4.417 -0.100 1
1 74 . 9 1 1 A 7 7 GLN C C 7 176.108 175.129 0.979 1
1 75 . 9 1 1 A 7 7 GLN CA C 7 56.149 56.280 -0.131 1
1 76 . 9 1 1 A 7 7 GLN CB C 7 29.491 29.647 -0.156 1
1 79 . 9 1 1 A 7 7 GLN N N 7 122.199 117.854 4.345 1
1 81 . 9 1 1 A 8 8 GLN H H 8 8.418 8.621 -0.203 1
1 82 . 9 1 1 A 8 8 GLN HA H 8 4.219 4.807 -0.588 1
1 89 . 9 1 1 A 8 8 GLN C C 8 175.704 175.075 0.629 1
1 90 . 9 1 1 A 8 8 GLN CA C 8 56.112 54.307 1.805 1
1 91 . 9 1 1 A 8 8 GLN CB C 8 29.435 30.340 -0.905 1
1 94 . 9 1 1 A 8 8 GLN N N 8 121.100 123.426 -2.326 1
1 96 . 9 1 1 A 9 9 ASN H H 9 8.404 8.868 -0.464 1
1 97 . 9 1 1 A 9 9 ASN HA H 9 4.654 4.958 -0.304 1
1 102 . 9 1 1 A 9 9 ASN C C 9 174.445 174.860 -0.415 1
1 103 . 9 1 1 A 9 9 ASN CA C 9 53.190 52.732 0.458 1
1 104 . 9 1 1 A 9 9 ASN CB C 9 38.913 39.728 -0.815 1
1 106 . 9 1 1 A 9 9 ASN N N 9 119.104 125.334 -6.230 1
1 108 . 9 1 1 A 10 10 ASN H H 10 8.306 8.748 -0.442 1
1 109 . 9 1 1 A 10 10 ASN HA H 10 4.964 5.238 -0.274 1
1 114 . 9 1 1 A 10 10 ASN C C 10 174.315 174.754 -0.439 1
1 115 . 9 1 1 A 10 10 ASN CA C 10 51.318 49.635 1.683 1
1 116 . 9 1 1 A 10 10 ASN CB C 10 38.992 39.488 -0.496 1
1 118 . 9 1 1 A 10 10 ASN N N 10 119.847 119.440 0.407 1
1 120 . 9 1 1 A 11 11 PRO HA H 11 4.427 4.336 0.091 1
1 127 . 9 1 1 A 11 11 PRO C C 11 177.095 178.086 -0.991 1
1 128 . 9 1 1 A 11 11 PRO CA C 11 64.214 65.248 -1.034 1
1 129 . 9 1 1 A 11 11 PRO CB C 11 32.355 32.057 0.298 1
1 132 . 9 1 1 A 12 12 LEU H H 12 8.102 7.803 0.299 1
1 133 . 9 1 1 A 12 12 LEU HA H 12 4.320 4.352 -0.032 1
1 143 . 9 1 1 A 12 12 LEU C C 12 177.341 177.605 -0.264 1
1 144 . 9 1 1 A 12 12 LEU CA C 12 54.883 55.232 -0.349 1
1 145 . 9 1 1 A 12 12 LEU CB C 12 41.300 41.469 -0.169 1
1 149 . 9 1 1 A 12 12 LEU N N 12 117.525 116.608 0.917 1
1 150 . 9 1 1 A 13 13 HIS H H 13 8.004 7.727 0.277 1
1 151 . 9 1 1 A 13 13 HIS HA H 13 4.453 4.266 0.187 1
1 154 . 9 1 1 A 13 13 HIS C C 13 175.375 176.206 -0.831 1
1 155 . 9 1 1 A 13 13 HIS CA C 13 56.796 59.109 -2.313 1
1 156 . 9 1 1 A 13 13 HIS CB C 13 28.248 30.419 -2.171 1
1 157 . 9 1 1 A 13 13 HIS N N 13 117.833 119.931 -2.098 1
1 158 . 9 1 1 A 14 14 GLY H H 14 8.530 7.764 0.766 1
1 159 . 9 1 1 A 14 14 GLY HA2 H 14 3.930 3.928 0.002 1
1 160 . 9 1 1 A 14 14 GLY HA3 H 14 3.755 3.974 -0.219 1
1 161 . 9 1 1 A 14 14 GLY C C 14 173.536 173.579 -0.043 1
1 162 . 9 1 1 A 14 14 GLY CA C 14 45.529 45.755 -0.226 1
1 163 . 9 1 1 A 14 14 GLY N N 14 110.385 105.052 5.333 1
1 164 . 9 1 1 A 15 15 ILE H H 15 7.563 7.791 -0.228 1
1 165 . 9 1 1 A 15 15 ILE HA H 15 4.392 4.093 0.299 1
1 175 . 9 1 1 A 15 15 ILE C C 15 174.878 175.779 -0.901 1
1 176 . 9 1 1 A 15 15 ILE CA C 15 60.102 61.265 -1.163 1
1 177 . 9 1 1 A 15 15 ILE CB C 15 39.383 37.954 1.429 1
1 181 . 9 1 1 A 15 15 ILE N N 15 120.363 121.804 -1.441 1
1 182 . 9 1 1 A 16 16 THR H H 16 7.643 8.558 -0.915 1
1 183 . 9 1 1 A 16 16 THR HA H 16 4.381 4.725 -0.344 1
1 188 . 9 1 1 A 16 16 THR C C 16 174.950 175.494 -0.544 1
1 189 . 9 1 1 A 16 16 THR CA C 16 60.355 59.918 0.437 1
1 190 . 9 1 1 A 16 16 THR CB C 16 70.834 71.799 -0.965 1
1 192 . 9 1 1 A 16 16 THR N N 16 115.980 119.345 -3.365 1
1 193 . 9 1 1 A 17 17 LEU H H 17 8.712 8.856 -0.144 1
1 194 . 9 1 1 A 17 17 LEU HA H 17 4.029 4.022 0.007 1
1 204 . 9 1 1 A 17 17 LEU C C 17 178.125 177.863 0.262 1
1 205 . 9 1 1 A 17 17 LEU CA C 17 57.582 58.329 -0.747 1
1 206 . 9 1 1 A 17 17 LEU CB C 17 40.906 41.388 -0.482 1
1 210 . 9 1 1 A 17 17 LEU N N 17 123.337 123.120 0.217 1
1 211 . 9 1 1 A 18 18 GLN H H 18 8.611 7.876 0.735 1
1 212 . 9 1 1 A 18 18 GLN HA H 18 3.774 4.006 -0.232 1
1 219 . 9 1 1 A 18 18 GLN C C 18 178.211 178.616 -0.405 1
1 220 . 9 1 1 A 18 18 GLN CA C 18 60.388 59.053 1.335 1
1 221 . 9 1 1 A 18 18 GLN CB C 18 27.809 28.959 -1.150 1
1 224 . 9 1 1 A 18 18 GLN N N 18 116.423 118.692 -2.269 1
1 226 . 9 1 1 A 19 19 LYS H H 19 7.861 7.853 0.008 1
1 227 . 9 1 1 A 19 19 LYS HA H 19 3.957 4.163 -0.206 1
1 236 . 9 1 1 A 19 19 LYS C C 19 177.806 178.585 -0.779 1
1 237 . 9 1 1 A 19 19 LYS CA C 19 59.684 58.764 0.920 1
1 238 . 9 1 1 A 19 19 LYS CB C 19 32.300 31.938 0.362 1
1 242 . 9 1 1 A 19 19 LYS N N 19 123.583 119.718 3.865 1
1 243 . 9 1 1 A 20 20 LEU H H 20 8.223 8.133 0.090 1
1 244 . 9 1 1 A 20 20 LEU HA H 20 3.418 3.425 -0.007 1
1 254 . 9 1 1 A 20 20 LEU C C 20 178.417 178.197 0.220 1
1 255 . 9 1 1 A 20 20 LEU CA C 20 59.301 57.961 1.340 1
1 256 . 9 1 1 A 20 20 LEU CB C 20 41.370 41.372 -0.002 1
1 260 . 9 1 1 A 20 20 LEU N N 20 121.397 121.033 0.364 1
1 261 . 9 1 1 A 21 21 LEU H H 21 8.649 8.221 0.428 1
1 262 . 9 1 1 A 21 21 LEU HA H 21 3.872 3.889 -0.017 1
1 272 . 9 1 1 A 21 21 LEU C C 21 178.009 178.496 -0.487 1
1 273 . 9 1 1 A 21 21 LEU CA C 21 58.027 58.009 0.018 1
1 274 . 9 1 1 A 21 21 LEU CB C 21 42.279 41.491 0.788 1
1 278 . 9 1 1 A 21 21 LEU N N 21 118.999 119.675 -0.676 1
1 279 . 9 1 1 A 22 22 THR H H 22 8.025 7.896 0.129 1
1 280 . 9 1 1 A 22 22 THR HA H 22 3.592 3.754 -0.162 1
1 285 . 9 1 1 A 22 22 THR C C 22 176.358 176.315 0.043 1
1 286 . 9 1 1 A 22 22 THR CA C 22 67.879 66.793 1.086 1
1 287 . 9 1 1 A 22 22 THR CB C 22 68.717 68.695 0.022 1
1 289 . 9 1 1 A 22 22 THR N N 22 115.015 114.784 0.231 1
1 290 . 9 1 1 A 23 23 GLU H H 23 8.158 8.581 -0.423 1
1 291 . 9 1 1 A 23 23 GLU HA H 23 4.068 4.055 0.013 1
1 296 . 9 1 1 A 23 23 GLU C C 23 180.091 179.610 0.481 1
1 297 . 9 1 1 A 23 23 GLU CA C 23 59.845 59.495 0.350 1
1 298 . 9 1 1 A 23 23 GLU CB C 23 29.101 29.258 -0.157 1
1 300 . 9 1 1 A 23 23 GLU N N 23 120.691 119.519 1.172 1
1 301 . 9 1 1 A 24 24 LEU H H 24 8.121 7.804 0.317 1
1 302 . 9 1 1 A 24 24 LEU HA H 24 4.140 4.265 -0.125 1
1 312 . 9 1 1 A 24 24 LEU C C 24 179.047 178.889 0.158 1
1 313 . 9 1 1 A 24 24 LEU CA C 24 58.438 58.089 0.349 1
1 314 . 9 1 1 A 24 24 LEU CB C 24 42.715 42.026 0.689 1
1 318 . 9 1 1 A 24 24 LEU N N 24 119.210 120.748 -1.538 1
1 319 . 9 1 1 A 25 25 VAL H H 25 8.577 8.122 0.455 1
1 320 . 9 1 1 A 25 25 VAL HA H 25 2.698 3.145 -0.447 1
1 328 . 9 1 1 A 25 25 VAL C C 25 179.143 177.057 2.086 1
1 329 . 9 1 1 A 25 25 VAL CA C 25 67.077 66.733 0.344 1
1 330 . 9 1 1 A 25 25 VAL CB C 25 31.127 30.473 0.654 1
1 333 . 9 1 1 A 25 25 VAL N N 25 122.036 118.479 3.557 1
1 334 . 9 1 1 A 26 26 GLU H H 26 8.216 8.190 0.026 1
1 335 . 9 1 1 A 26 26 GLU HA H 26 3.858 4.016 -0.158 1
1 340 . 9 1 1 A 26 26 GLU C C 26 177.409 178.775 -1.366 1
1 341 . 9 1 1 A 26 26 GLU CA C 26 59.105 59.069 0.036 1
1 342 . 9 1 1 A 26 26 GLU CB C 26 29.025 29.325 -0.300 1
1 344 . 9 1 1 A 26 26 GLU N N 26 119.262 119.034 0.228 1
1 345 . 9 1 1 A 27 27 HIS H H 27 7.815 8.192 -0.377 1
1 346 . 9 1 1 A 27 27 HIS HA H 27 4.183 4.117 0.066 1
1 349 . 9 1 1 A 27 27 HIS C C 27 175.618 176.292 -0.674 1
1 350 . 9 1 1 A 27 27 HIS CA C 27 58.932 59.081 -0.149 1
1 351 . 9 1 1 A 27 27 HIS CB C 27 29.358 29.843 -0.485 1
1 352 . 9 1 1 A 27 27 HIS N N 27 114.100 120.352 -6.252 1
1 353 . 9 1 1 A 28 28 TYR H H 28 8.628 8.063 0.565 1
1 354 . 9 1 1 A 28 28 TYR HA H 28 4.424 4.400 0.024 1
1 361 . 9 1 1 A 28 28 TYR C C 28 177.445 176.272 1.173 1
1 362 . 9 1 1 A 28 28 TYR CA C 28 60.294 60.031 0.263 1
1 363 . 9 1 1 A 28 28 TYR CB C 28 40.851 39.617 1.234 1
1 368 . 9 1 1 A 28 28 TYR N N 28 113.706 115.324 -1.618 1
1 369 . 9 1 1 A 29 29 GLY H H 29 7.713 7.163 0.550 1
1 370 . 9 1 1 A 29 29 GLY HA2 H 29 4.366 4.034 0.332 1
1 371 . 9 1 1 A 29 29 GLY HA3 H 29 3.846 4.155 -0.309 1
1 372 . 9 1 1 A 29 29 GLY C C 29 172.549 175.034 -2.485 1
1 373 . 9 1 1 A 29 29 GLY CA C 29 44.258 44.630 -0.372 1
1 374 . 9 1 1 A 29 29 GLY N N 29 107.840 104.329 3.511 1
1 375 . 9 1 1 A 30 30 TRP H H 30 7.960 8.946 -0.986 1
1 376 . 9 1 1 A 30 30 TRP HA H 30 4.136 4.294 -0.158 1
1 385 . 9 1 1 A 30 30 TRP C C 30 178.090 178.937 -0.847 1
1 386 . 9 1 1 A 30 30 TRP CA C 30 60.502 59.777 0.725 1
1 387 . 9 1 1 A 30 30 TRP CB C 30 30.304 28.922 1.382 1
1 393 . 9 1 1 A 30 30 TRP N N 30 118.175 122.531 -4.356 1
1 395 . 9 1 1 A 31 31 GLU H H 31 8.549 8.679 -0.130 1
1 396 . 9 1 1 A 31 31 GLU HA H 31 3.992 4.345 -0.353 1
1 401 . 9 1 1 A 31 31 GLU C C 31 179.942 178.899 1.043 1
1 402 . 9 1 1 A 31 31 GLU CA C 31 60.090 59.993 0.097 1
1 403 . 9 1 1 A 31 31 GLU CB C 31 28.474 29.117 -0.643 1
1 405 . 9 1 1 A 31 31 GLU N N 31 118.099 119.083 -0.984 1
1 406 . 9 1 1 A 32 32 GLU H H 32 8.962 7.909 1.053 1
1 407 . 9 1 1 A 32 32 GLU HA H 32 4.137 4.196 -0.059 1
1 412 . 9 1 1 A 32 32 GLU C C 32 179.651 179.318 0.333 1
1 413 . 9 1 1 A 32 32 GLU CA C 32 58.745 58.844 -0.099 1
1 414 . 9 1 1 A 32 32 GLU CB C 32 28.145 29.985 -1.840 1
1 416 . 9 1 1 A 32 32 GLU N N 32 120.094 119.892 0.202 1
1 417 . 9 1 1 A 33 33 LEU H H 33 7.748 8.248 -0.500 1
1 418 . 9 1 1 A 33 33 LEU HA H 33 3.922 3.891 0.031 1
1 428 . 9 1 1 A 33 33 LEU C C 33 178.833 178.257 0.576 1
1 429 . 9 1 1 A 33 33 LEU CA C 33 58.577 57.706 0.871 1
1 430 . 9 1 1 A 33 33 LEU CB C 33 41.269 40.782 0.487 1
1 434 . 9 1 1 A 33 33 LEU N N 33 118.890 120.694 -1.804 1
1 435 . 9 1 1 A 34 34 SER H H 34 8.607 8.443 0.164 1
1 436 . 9 1 1 A 34 34 SER HA H 34 4.642 4.704 -0.062 1
1 439 . 9 1 1 A 34 34 SER C C 34 175.346 176.247 -0.901 1
1 440 . 9 1 1 A 34 34 SER CA C 34 61.247 60.582 0.665 1
1 441 . 9 1 1 A 34 34 SER CB C 34 63.043 63.533 -0.490 1
1 442 . 9 1 1 A 34 34 SER N N 34 114.464 113.321 1.143 1
1 443 . 9 1 1 A 35 35 TYR H H 35 7.395 8.033 -0.638 1
1 444 . 9 1 1 A 35 35 TYR HA H 35 4.537 4.283 0.254 1
1 451 . 9 1 1 A 35 35 TYR C C 35 177.940 177.813 0.127 1
1 452 . 9 1 1 A 35 35 TYR CA C 35 58.907 60.861 -1.954 1
1 453 . 9 1 1 A 35 35 TYR CB C 35 37.852 38.814 -0.962 1
1 458 . 9 1 1 A 35 35 TYR N N 35 120.804 123.527 -2.723 1
1 459 . 9 1 1 A 36 36 MET H H 36 7.840 8.488 -0.648 1
1 460 . 9 1 1 A 36 36 MET HA H 36 4.158 4.300 -0.142 1
1 468 . 9 1 1 A 36 36 MET C C 36 177.049 176.029 1.020 1
1 469 . 9 1 1 A 36 36 MET CA C 36 58.684 58.509 0.175 1
1 470 . 9 1 1 A 36 36 MET CB C 36 34.927 33.477 1.450 1
1 473 . 9 1 1 A 36 36 MET N N 36 118.425 117.511 0.914 1
1 474 . 9 1 1 A 37 37 VAL H H 37 8.469 8.353 0.116 1
1 475 . 9 1 1 A 37 37 VAL HA H 37 4.265 4.329 -0.064 1
1 483 . 9 1 1 A 37 37 VAL C C 37 173.959 175.087 -1.128 1
1 484 . 9 1 1 A 37 37 VAL CA C 37 61.621 61.696 -0.075 1
1 485 . 9 1 1 A 37 37 VAL CB C 37 32.527 32.107 0.420 1
1 488 . 9 1 1 A 37 37 VAL N N 37 117.997 118.886 -0.889 1
1 489 . 9 1 1 A 38 38 ASN H H 38 8.677 8.854 -0.177 1
1 490 . 9 1 1 A 38 38 ASN HA H 38 4.948 5.214 -0.266 1
1 495 . 9 1 1 A 38 38 ASN C C 38 174.710 174.109 0.601 1
1 496 . 9 1 1 A 38 38 ASN CA C 38 53.444 53.061 0.383 1
1 497 . 9 1 1 A 38 38 ASN CB C 38 37.001 36.729 0.272 1
1 499 . 9 1 1 A 38 38 ASN N N 38 123.121 127.094 -3.973 1
1 501 . 9 1 1 A 39 39 ILE H H 39 7.744 8.148 -0.404 1
1 502 . 9 1 1 A 39 39 ILE HA H 39 4.655 4.706 -0.051 1
1 512 . 9 1 1 A 39 39 ILE C C 39 176.996 176.064 0.932 1
1 513 . 9 1 1 A 39 39 ILE CA C 39 59.201 58.666 0.535 1
1 514 . 9 1 1 A 39 39 ILE CB C 39 40.558 41.650 -1.092 1
1 518 . 9 1 1 A 39 39 ILE N N 39 115.722 118.471 -2.749 1
1 519 . 9 1 1 A 40 40 ASN H H 40 8.881 8.778 0.103 1
1 520 . 9 1 1 A 40 40 ASN HA H 40 4.192 4.308 -0.116 1
1 525 . 9 1 1 A 40 40 ASN C C 40 177.705 176.390 1.315 1
1 526 . 9 1 1 A 40 40 ASN CA C 40 56.883 55.412 1.471 1
1 527 . 9 1 1 A 40 40 ASN CB C 40 38.313 38.043 0.270 1
1 529 . 9 1 1 A 40 40 ASN N N 40 124.600 120.794 3.806 1
1 531 . 9 1 1 A 41 41 CYS H H 41 8.034 7.644 0.390 1
1 532 . 9 1 1 A 41 41 CYS HA H 41 4.373 3.815 0.558 1
1 535 . 9 1 1 A 41 41 CYS C C 41 174.303 175.412 -1.109 1
1 536 . 9 1 1 A 41 41 CYS CA C 41 59.164 61.890 -2.726 1
1 537 . 9 1 1 A 41 41 CYS CB C 41 26.126 26.875 -0.749 1
1 538 . 9 1 1 A 41 41 CYS N N 41 115.097 118.007 -2.910 1
1 539 . 9 1 1 A 42 42 PHE H H 42 7.031 7.383 -0.352 1
1 540 . 9 1 1 A 42 42 PHE HA H 42 4.937 4.905 0.032 1
1 548 . 9 1 1 A 42 42 PHE C C 42 174.437 176.322 -1.885 1
1 549 . 9 1 1 A 42 42 PHE CA C 42 54.439 57.390 -2.951 1
1 550 . 9 1 1 A 42 42 PHE CB C 42 38.059 39.628 -1.569 1
1 556 . 9 1 1 A 42 42 PHE N N 42 117.304 117.455 -0.151 1
1 557 . 9 1 1 A 43 43 LYS H H 43 7.371 8.246 -0.875 1
1 558 . 9 1 1 A 43 43 LYS HA H 43 4.304 4.641 -0.337 1
1 567 . 9 1 1 A 43 43 LYS C C 43 175.800 175.515 0.285 1
1 568 . 9 1 1 A 43 43 LYS CA C 43 57.474 57.472 0.002 1
1 569 . 9 1 1 A 43 43 LYS CB C 43 34.978 34.867 0.111 1
1 573 . 9 1 1 A 43 43 LYS N N 43 116.029 119.125 -3.096 1
1 574 . 9 1 1 A 44 44 LYS H H 44 7.593 7.915 -0.322 1
1 575 . 9 1 1 A 44 44 LYS HA H 44 4.302 4.657 -0.355 1
1 584 . 9 1 1 A 44 44 LYS C C 44 173.608 175.083 -1.475 1
1 585 . 9 1 1 A 44 44 LYS CA C 44 55.169 55.501 -0.332 1
1 586 . 9 1 1 A 44 44 LYS CB C 44 33.123 35.317 -2.194 1
1 590 . 9 1 1 A 44 44 LYS N N 44 119.851 118.687 1.164 1
1 591 . 9 1 1 A 45 45 ASP H H 45 8.774 8.703 0.071 1
1 592 . 9 1 1 A 45 45 ASP HA H 45 4.200 4.068 0.132 1
1 595 . 9 1 1 A 45 45 ASP C C 45 172.128 176.119 -3.991 1
1 596 . 9 1 1 A 45 45 ASP CA C 45 53.963 54.690 -0.727 1
1 597 . 9 1 1 A 45 45 ASP CB C 45 40.263 39.197 1.066 1
1 598 . 9 1 1 A 45 45 ASP N N 45 122.276 122.846 -0.570 1
1 599 . 9 1 1 A 46 46 PRO HA H 46 3.930 3.889 0.041 1
1 606 . 9 1 1 A 46 46 PRO C C 46 176.968 175.357 1.611 1
1 607 . 9 1 1 A 46 46 PRO CA C 46 62.964 62.493 0.471 1
1 608 . 9 1 1 A 46 46 PRO CB C 46 30.892 29.429 1.463 1
1 611 . 9 1 1 A 47 47 SER H H 47 8.018 7.839 0.179 1
1 612 . 9 1 1 A 47 47 SER HA H 47 4.676 4.671 0.005 1
1 615 . 9 1 1 A 47 47 SER C C 47 175.465 174.917 0.548 1
1 616 . 9 1 1 A 47 47 SER CA C 47 57.014 58.387 -1.373 1
1 617 . 9 1 1 A 47 47 SER CB C 47 66.436 64.870 1.566 1
1 618 . 9 1 1 A 47 47 SER N N 47 112.273 116.454 -4.181 1
1 619 . 9 1 1 A 48 48 ILE H H 48 9.489 8.825 0.664 1
1 620 . 9 1 1 A 48 48 ILE HA H 48 4.013 3.960 0.053 1
1 630 . 9 1 1 A 48 48 ILE C C 48 177.681 177.982 -0.301 1
1 631 . 9 1 1 A 48 48 ILE CA C 48 64.456 65.805 -1.349 1
1 632 . 9 1 1 A 48 48 ILE CB C 48 36.382 37.732 -1.350 1
1 636 . 9 1 1 A 48 48 ILE N N 48 126.826 124.767 2.059 1
1 637 . 9 1 1 A 49 49 LYS H H 49 8.735 8.268 0.467 1
1 638 . 9 1 1 A 49 49 LYS HA H 49 3.984 3.939 0.045 1
1 647 . 9 1 1 A 49 49 LYS C C 49 179.784 178.978 0.806 1
1 648 . 9 1 1 A 49 49 LYS CA C 49 60.562 59.810 0.752 1
1 649 . 9 1 1 A 49 49 LYS CB C 49 32.533 32.230 0.303 1
1 653 . 9 1 1 A 49 49 LYS N N 49 118.592 121.588 -2.996 1
1 654 . 9 1 1 A 50 50 SER H H 50 8.065 7.979 0.086 1
1 655 . 9 1 1 A 50 50 SER HA H 50 4.270 4.120 0.150 1
1 658 . 9 1 1 A 50 50 SER C C 50 178.135 176.690 1.445 1
1 659 . 9 1 1 A 50 50 SER CA C 50 61.431 61.953 -0.522 1
1 660 . 9 1 1 A 50 50 SER CB C 50 62.672 62.804 -0.132 1
1 661 . 9 1 1 A 50 50 SER N N 50 114.354 117.848 -3.494 1
1 662 . 9 1 1 A 51 51 SER H H 51 8.300 8.259 0.041 1
1 663 . 9 1 1 A 51 51 SER HA H 51 4.681 4.248 0.433 1
1 666 . 9 1 1 A 51 51 SER C C 51 176.245 176.065 0.180 1
1 667 . 9 1 1 A 51 51 SER CA C 51 63.327 62.446 0.881 1
1 668 . 9 1 1 A 51 51 SER CB C 51 64.340 63.453 0.887 1
1 669 . 9 1 1 A 51 51 SER N N 51 120.855 118.019 2.836 1
1 670 . 9 1 1 A 52 52 LEU H H 52 8.849 8.574 0.275 1
1 671 . 9 1 1 A 52 52 LEU HA H 52 3.902 4.005 -0.103 1
1 681 . 9 1 1 A 52 52 LEU C C 52 178.339 178.825 -0.486 1
1 682 . 9 1 1 A 52 52 LEU CA C 52 58.600 58.096 0.504 1
1 683 . 9 1 1 A 52 52 LEU CB C 52 41.685 41.539 0.146 1
1 687 . 9 1 1 A 52 52 LEU N N 52 122.627 121.065 1.562 1
1 688 . 9 1 1 A 53 53 LYS H H 53 7.268 8.124 -0.856 1
1 689 . 9 1 1 A 53 53 LYS HA H 53 3.957 3.928 0.029 1
1 698 . 9 1 1 A 53 53 LYS C C 53 178.750 178.973 -0.223 1
1 699 . 9 1 1 A 53 53 LYS CA C 53 59.867 59.589 0.278 1
1 700 . 9 1 1 A 53 53 LYS CB C 53 32.475 32.193 0.282 1
1 704 . 9 1 1 A 53 53 LYS N N 53 117.100 120.359 -3.259 1
1 705 . 9 1 1 A 54 54 PHE H H 54 7.388 7.836 -0.448 1
1 706 . 9 1 1 A 54 54 PHE HA H 54 4.167 4.093 0.074 1
1 714 . 9 1 1 A 54 54 PHE C C 54 178.975 176.957 2.018 1
1 715 . 9 1 1 A 54 54 PHE CA C 54 61.515 61.309 0.206 1
1 716 . 9 1 1 A 54 54 PHE CB C 54 39.619 38.897 0.722 1
1 722 . 9 1 1 A 54 54 PHE N N 54 117.704 120.481 -2.777 1
1 723 . 9 1 1 A 55 55 LEU H H 55 9.142 8.522 0.620 1
1 724 . 9 1 1 A 55 55 LEU HA H 55 3.720 3.839 -0.119 1
1 734 . 9 1 1 A 55 55 LEU C C 55 178.763 178.797 -0.034 1
1 735 . 9 1 1 A 55 55 LEU CA C 55 57.656 57.908 -0.252 1
1 736 . 9 1 1 A 55 55 LEU CB C 55 42.837 41.480 1.357 1
1 740 . 9 1 1 A 55 55 LEU N N 55 120.396 119.413 0.983 1
1 741 . 9 1 1 A 56 56 ARG H H 56 8.338 8.730 -0.392 1
1 742 . 9 1 1 A 56 56 ARG HA H 56 3.855 4.119 -0.264 1
1 750 . 9 1 1 A 56 56 ARG C C 56 176.697 176.608 0.089 1
1 751 . 9 1 1 A 56 56 ARG CA C 56 59.452 57.784 1.668 1
1 752 . 9 1 1 A 56 56 ARG CB C 56 30.239 29.729 0.510 1
1 755 . 9 1 1 A 56 56 ARG N N 56 116.866 118.133 -1.267 1
1 757 . 9 1 1 A 57 57 LYS H H 57 6.770 7.879 -1.109 1
1 758 . 9 1 1 A 57 57 LYS HA H 57 4.542 4.428 0.114 1
1 767 . 9 1 1 A 57 57 LYS C C 57 176.148 175.600 0.548 1
1 768 . 9 1 1 A 57 57 LYS CA C 57 55.545 56.800 -1.255 1
1 769 . 9 1 1 A 57 57 LYS CB C 57 33.805 34.406 -0.601 1
1 773 . 9 1 1 A 57 57 LYS N N 57 113.205 119.175 -5.970 1
1 774 . 9 1 1 A 58 58 THR H H 58 6.908 7.516 -0.608 1
1 775 . 9 1 1 A 58 58 THR HA H 58 4.212 4.577 -0.365 1
1 780 . 9 1 1 A 58 58 THR C C 58 173.643 173.623 0.020 1
1 781 . 9 1 1 A 58 58 THR CA C 58 60.688 61.189 -0.501 1
1 782 . 9 1 1 A 58 58 THR CB C 58 67.557 71.016 -3.459 1
1 784 . 9 1 1 A 58 58 THR N N 58 117.915 112.485 5.430 1
1 785 . 9 1 1 A 59 59 ASP H H 59 8.789 8.931 -0.142 1
1 786 . 9 1 1 A 59 59 ASP HA H 59 4.128 4.376 -0.248 1
1 789 . 9 1 1 A 59 59 ASP C C 59 178.565 178.559 0.006 1
1 790 . 9 1 1 A 59 59 ASP CA C 59 58.506 56.665 1.841 1
1 791 . 9 1 1 A 59 59 ASP CB C 59 39.530 41.013 -1.483 1
1 792 . 9 1 1 A 59 59 ASP N N 59 128.511 125.441 3.070 1
1 793 . 9 1 1 A 60 60 TRP H H 60 8.638 8.667 -0.029 1
1 794 . 9 1 1 A 60 60 TRP HA H 60 4.375 4.428 -0.053 1
1 803 . 9 1 1 A 60 60 TRP C C 60 178.277 178.743 -0.466 1
1 804 . 9 1 1 A 60 60 TRP CA C 60 59.183 60.489 -1.306 1
1 805 . 9 1 1 A 60 60 TRP CB C 60 26.962 28.200 -1.238 1
1 811 . 9 1 1 A 60 60 TRP N N 60 117.515 119.755 -2.240 1
1 813 . 9 1 1 A 61 61 ALA H H 61 5.533 7.123 -1.590 1
1 814 . 9 1 1 A 61 61 ALA HA H 61 3.414 3.407 0.007 1
1 818 . 9 1 1 A 61 61 ALA C C 61 177.616 179.226 -1.610 1
1 819 . 9 1 1 A 61 61 ALA CA C 61 54.478 54.859 -0.381 1
1 820 . 9 1 1 A 61 61 ALA CB C 61 17.904 17.867 0.037 1
1 821 . 9 1 1 A 61 61 ALA N N 61 125.465 123.879 1.586 1
1 822 . 9 1 1 A 62 62 ARG H H 62 7.811 7.779 0.032 1
1 823 . 9 1 1 A 62 62 ARG HA H 62 3.617 3.985 -0.368 1
1 831 . 9 1 1 A 62 62 ARG C C 62 177.918 178.968 -1.050 1
1 832 . 9 1 1 A 62 62 ARG CA C 62 60.708 59.608 1.100 1
1 833 . 9 1 1 A 62 62 ARG CB C 62 29.156 29.963 -0.807 1
1 836 . 9 1 1 A 62 62 ARG N N 62 120.420 118.458 1.962 1
1 838 . 9 1 1 A 63 63 GLU H H 63 8.412 8.048 0.364 1
1 839 . 9 1 1 A 63 63 GLU HA H 63 4.041 4.111 -0.070 1
1 844 . 9 1 1 A 63 63 GLU C C 63 178.935 178.999 -0.064 1
1 845 . 9 1 1 A 63 63 GLU CA C 63 59.509 59.192 0.317 1
1 846 . 9 1 1 A 63 63 GLU CB C 63 28.759 29.215 -0.456 1
1 848 . 9 1 1 A 63 63 GLU N N 63 117.144 117.607 -0.463 1
1 849 . 9 1 1 A 64 64 ARG H H 64 7.603 7.998 -0.395 1
1 850 . 9 1 1 A 64 64 ARG HA H 64 4.256 4.120 0.136 1
1 858 . 9 1 1 A 64 64 ARG C C 64 179.133 178.771 0.362 1
1 859 . 9 1 1 A 64 64 ARG CA C 64 59.340 59.287 0.053 1
1 860 . 9 1 1 A 64 64 ARG CB C 64 30.067 30.037 0.030 1
1 863 . 9 1 1 A 64 64 ARG N N 64 118.298 120.027 -1.729 1
1 865 . 9 1 1 A 65 65 VAL H H 65 8.065 8.230 -0.165 1
1 866 . 9 1 1 A 65 65 VAL HA H 65 3.713 3.503 0.210 1
1 874 . 9 1 1 A 65 65 VAL C C 65 177.638 177.868 -0.230 1
1 875 . 9 1 1 A 65 65 VAL CA C 65 66.891 67.000 -0.109 1
1 876 . 9 1 1 A 65 65 VAL CB C 65 31.480 31.563 -0.083 1
1 879 . 9 1 1 A 65 65 VAL N N 65 117.270 120.210 -2.940 1
1 880 . 9 1 1 A 66 66 GLU H H 66 8.583 8.242 0.341 1
1 881 . 9 1 1 A 66 66 GLU HA H 66 3.912 4.062 -0.150 1
1 886 . 9 1 1 A 66 66 GLU C C 66 178.380 178.947 -0.567 1
1 887 . 9 1 1 A 66 66 GLU CA C 66 60.256 59.063 1.193 1
1 888 . 9 1 1 A 66 66 GLU CB C 66 28.691 28.846 -0.155 1
1 890 . 9 1 1 A 66 66 GLU N N 66 119.924 120.024 -0.100 1
1 891 . 9 1 1 A 67 67 ASN H H 67 8.267 8.468 -0.201 1
1 892 . 9 1 1 A 67 67 ASN HA H 67 4.567 4.502 0.065 1
1 897 . 9 1 1 A 67 67 ASN C C 67 178.338 177.968 0.370 1
1 898 . 9 1 1 A 67 67 ASN CA C 67 56.900 56.954 -0.054 1
1 899 . 9 1 1 A 67 67 ASN CB C 67 38.802 39.587 -0.785 1
1 901 . 9 1 1 A 67 67 ASN N N 67 117.574 118.533 -0.959 1
1 903 . 9 1 1 A 68 68 ILE H H 68 8.132 7.669 0.463 1
1 904 . 9 1 1 A 68 68 ILE HA H 68 3.726 3.659 0.067 1
1 914 . 9 1 1 A 68 68 ILE C C 68 178.722 178.041 0.681 1
1 915 . 9 1 1 A 68 68 ILE CA C 68 65.388 65.216 0.172 1
1 916 . 9 1 1 A 68 68 ILE CB C 68 37.841 37.505 0.336 1
1 920 . 9 1 1 A 68 68 ILE N N 68 121.125 119.604 1.521 1
1 921 . 9 1 1 A 69 69 TYR H H 69 8.146 8.265 -0.119 1
1 922 . 9 1 1 A 69 69 TYR HA H 69 4.058 4.182 -0.124 1
1 929 . 9 1 1 A 69 69 TYR C C 69 177.061 177.405 -0.344 1
1 930 . 9 1 1 A 69 69 TYR CA C 69 62.828 61.500 1.328 1
1 931 . 9 1 1 A 69 69 TYR CB C 69 38.747 38.820 -0.073 1
1 936 . 9 1 1 A 69 69 TYR N N 69 121.378 121.765 -0.387 1
1 937 . 9 1 1 A 70 70 LEU H H 70 8.630 8.585 0.045 1
1 938 . 9 1 1 A 70 70 LEU HA H 70 3.875 3.782 0.093 1
1 948 . 9 1 1 A 70 70 LEU C C 70 179.755 179.714 0.041 1
1 949 . 9 1 1 A 70 70 LEU CA C 70 58.230 58.227 0.003 1
1 950 . 9 1 1 A 70 70 LEU CB C 70 41.733 41.436 0.297 1
1 954 . 9 1 1 A 70 70 LEU N N 70 120.179 119.745 0.434 1
1 955 . 9 1 1 A 71 71 LYS H H 71 7.950 8.187 -0.237 1
1 956 . 9 1 1 A 71 71 LYS HA H 71 3.957 3.980 -0.023 1
1 965 . 9 1 1 A 71 71 LYS C C 71 178.961 178.583 0.378 1
1 966 . 9 1 1 A 71 71 LYS CA C 71 59.684 59.348 0.336 1
1 967 . 9 1 1 A 71 71 LYS CB C 71 32.421 32.082 0.339 1
1 971 . 9 1 1 A 71 71 LYS N N 71 118.820 120.493 -1.673 1
1 972 . 9 1 1 A 72 72 LEU H H 72 7.731 7.779 -0.048 1
1 973 . 9 1 1 A 72 72 LEU HA H 72 4.037 4.101 -0.064 1
1 983 . 9 1 1 A 72 72 LEU C C 72 178.533 178.654 -0.121 1
1 984 . 9 1 1 A 72 72 LEU CA C 72 57.352 57.481 -0.129 1
1 985 . 9 1 1 A 72 72 LEU CB C 72 41.406 41.448 -0.042 1
1 989 . 9 1 1 A 72 72 LEU N N 72 121.367 120.747 0.620 1
1 990 . 9 1 1 A 73 73 GLN H H 73 7.884 8.446 -0.562 1
1 991 . 9 1 1 A 73 73 GLN HA H 73 3.852 3.820 0.032 1
1 998 . 9 1 1 A 73 73 GLN C C 73 177.679 178.942 -1.263 1
1 999 . 9 1 1 A 73 73 GLN CA C 73 57.026 59.177 -2.151 1
1 1000 . 9 1 1 A 73 73 GLN CB C 73 28.148 27.974 0.174 1
1 1003 . 9 1 1 A 73 73 GLN N N 73 116.639 118.028 -1.389 1
1 1005 . 9 1 1 A 74 74 ARG H H 74 7.725 8.467 -0.742 1
1 1006 . 9 1 1 A 74 74 ARG HA H 74 4.136 4.125 0.011 1
1 1013 . 9 1 1 A 74 74 ARG C C 74 177.235 176.820 0.415 1
1 1014 . 9 1 1 A 74 74 ARG CA C 74 57.452 58.424 -0.972 1
1 1015 . 9 1 1 A 74 74 ARG CB C 74 30.308 29.945 0.363 1
1 1018 . 9 1 1 A 74 74 ARG N N 74 118.122 118.412 -0.290 1
1 1019 . 9 1 1 A 75 75 HIS H H 75 7.982 7.834 0.148 1
1 1020 . 9 1 1 A 75 75 HIS HA H 75 4.564 4.620 -0.056 1
1 1023 . 9 1 1 A 75 75 HIS C C 75 175.202 174.911 0.291 1
1 1024 . 9 1 1 A 75 75 HIS CA C 75 56.587 56.310 0.277 1
1 1025 . 9 1 1 A 75 75 HIS CB C 75 28.477 30.412 -1.935 1
1 1026 . 9 1 1 A 75 75 HIS N N 75 117.995 118.714 -0.719 1
1 1027 . 9 1 1 A 76 76 LYS H H 76 8.180 7.532 0.648 1
1 1028 . 9 1 1 A 76 76 LYS HA H 76 4.148 4.111 0.037 1
1 1037 . 9 1 1 A 76 76 LYS C C 76 177.303 175.912 1.391 1
1 1038 . 9 1 1 A 76 76 LYS CA C 76 57.550 55.950 1.600 1
1 1039 . 9 1 1 A 76 76 LYS CB C 76 32.789 32.356 0.433 1
1 1043 . 9 1 1 A 76 76 LYS N N 76 121.510 120.857 0.653 1
1 1044 . 9 1 1 A 77 77 GLU H H 77 8.321 8.170 0.151 1
1 1045 . 9 1 1 A 77 77 GLU HA H 77 4.224 4.364 -0.140 1
1 1050 . 9 1 1 A 77 77 GLU C C 77 177.067 176.982 0.085 1
1 1051 . 9 1 1 A 77 77 GLU CA C 77 56.991 58.067 -1.076 1
1 1052 . 9 1 1 A 77 77 GLU CB C 77 29.841 30.607 -0.766 1
1 1054 . 9 1 1 A 77 77 GLU N N 77 120.860 126.508 -5.648 1
1 1055 . 9 1 1 A 78 78 ARG H H 78 8.228 7.651 0.577 1
1 1056 . 9 1 1 A 78 78 ARG HA H 78 4.240 4.474 -0.234 1
1 1063 . 9 1 1 A 78 78 ARG C C 78 176.577 176.079 0.498 1
1 1064 . 9 1 1 A 78 78 ARG CA C 78 56.786 55.458 1.328 1
1 1065 . 9 1 1 A 78 78 ARG CB C 78 30.413 31.135 -0.722 1
1 1068 . 9 1 1 A 78 78 ARG N N 78 121.081 118.429 2.652 1
1 1069 . 9 1 1 A 79 79 ASN H H 79 8.333 8.589 -0.256 1
1 1070 . 9 1 1 A 79 79 ASN HA H 79 4.617 4.780 -0.163 1
1 1075 . 9 1 1 A 79 79 ASN C C 79 175.605 174.933 0.672 1
1 1076 . 9 1 1 A 79 79 ASN CA C 79 53.938 53.838 0.100 1
1 1077 . 9 1 1 A 79 79 ASN CB C 79 38.748 39.072 -0.324 1
1 1079 . 9 1 1 A 79 79 ASN N N 79 118.880 119.204 -0.324 1
1 1081 . 9 1 1 A 80 80 GLN H H 80 8.285 8.860 -0.575 1
1 1082 . 9 1 1 A 80 80 GLN HA H 80 4.253 5.072 -0.819 1
1 1089 . 9 1 1 A 80 80 GLN C C 80 176.304 173.930 2.374 1
1 1090 . 9 1 1 A 80 80 GLN CA C 80 56.545 54.324 2.221 1
1 1091 . 9 1 1 A 80 80 GLN CB C 80 29.274 32.415 -3.141 1
1 1094 . 9 1 1 A 80 80 GLN N N 80 120.222 117.182 3.040 1
1 1096 . 9 1 1 A 81 81 LEU H H 81 8.130 8.943 -0.813 1
1 1097 . 9 1 1 A 81 81 LEU HA H 81 4.222 4.773 -0.551 1
1 1107 . 9 1 1 A 81 81 LEU C C 81 177.542 176.961 0.581 1
1 1108 . 9 1 1 A 81 81 LEU CA C 81 55.736 54.166 1.570 1
1 1109 . 9 1 1 A 81 81 LEU CB C 81 42.196 42.277 -0.081 1
1 1113 . 9 1 1 A 81 81 LEU N N 81 122.119 123.193 -1.074 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.081 4.658 -0.577 1
1 5 . 10 1 1 A 2 2 ALA C C 2 173.423 176.330 -2.907 1
1 6 . 10 1 1 A 2 2 ALA CA C 2 51.798 50.698 1.100 1
1 7 . 10 1 1 A 2 2 ALA CB C 2 19.502 22.130 -2.628 1
1 8 . 10 1 1 A 3 3 LEU H H 3 8.547 8.248 0.299 1
1 9 . 10 1 1 A 3 3 LEU HA H 3 4.394 4.285 0.109 1
1 19 . 10 1 1 A 3 3 LEU C C 3 176.779 175.554 1.225 1
1 20 . 10 1 1 A 3 3 LEU CA C 3 55.226 54.654 0.572 1
1 21 . 10 1 1 A 3 3 LEU CB C 3 42.472 41.541 0.931 1
1 25 . 10 1 1 A 3 3 LEU N N 3 122.089 121.825 0.264 1
1 26 . 10 1 1 A 4 4 ILE H H 4 8.319 7.849 0.470 1
1 27 . 10 1 1 A 4 4 ILE HA H 4 4.167 4.397 -0.230 1
1 37 . 10 1 1 A 4 4 ILE C C 4 176.138 174.484 1.654 1
1 38 . 10 1 1 A 4 4 ILE CA C 4 60.894 60.600 0.294 1
1 39 . 10 1 1 A 4 4 ILE CB C 4 38.595 37.987 0.608 1
1 43 . 10 1 1 A 4 4 ILE N N 4 123.468 121.782 1.686 1
1 44 . 10 1 1 A 5 5 MET H H 5 8.574 8.641 -0.067 1
1 45 . 10 1 1 A 5 5 MET HA H 5 4.584 4.604 -0.020 1
1 50 . 10 1 1 A 5 5 MET C C 5 176.274 176.625 -0.351 1
1 51 . 10 1 1 A 5 5 MET CA C 5 55.348 54.226 1.122 1
1 52 . 10 1 1 A 5 5 MET CB C 5 32.961 32.407 0.554 1
1 54 . 10 1 1 A 5 5 MET N N 5 125.527 127.906 -2.379 1
1 55 . 10 1 1 A 6 6 THR H H 6 8.172 8.630 -0.458 1
1 56 . 10 1 1 A 6 6 THR HA H 6 4.331 3.817 0.514 1
1 61 . 10 1 1 A 6 6 THR C C 6 174.578 175.257 -0.679 1
1 62 . 10 1 1 A 6 6 THR CA C 6 61.849 66.137 -4.288 1
1 63 . 10 1 1 A 6 6 THR CB C 6 69.904 67.016 2.888 1
1 65 . 10 1 1 A 6 6 THR N N 6 115.487 117.650 -2.163 1
1 66 . 10 1 1 A 7 7 GLN H H 7 8.461 8.801 -0.340 1
1 67 . 10 1 1 A 7 7 GLN HA H 7 4.317 3.976 0.341 1
1 74 . 10 1 1 A 7 7 GLN C C 7 176.108 177.129 -1.021 1
1 75 . 10 1 1 A 7 7 GLN CA C 7 56.149 59.085 -2.936 1
1 76 . 10 1 1 A 7 7 GLN CB C 7 29.491 28.326 1.165 1
1 79 . 10 1 1 A 7 7 GLN N N 7 122.199 121.080 1.119 1
1 81 . 10 1 1 A 8 8 GLN H H 8 8.418 7.718 0.700 1
1 82 . 10 1 1 A 8 8 GLN HA H 8 4.219 4.311 -0.092 1
1 89 . 10 1 1 A 8 8 GLN C C 8 175.704 175.541 0.163 1
1 90 . 10 1 1 A 8 8 GLN CA C 8 56.112 55.294 0.818 1
1 91 . 10 1 1 A 8 8 GLN CB C 8 29.435 27.838 1.597 1
1 94 . 10 1 1 A 8 8 GLN N N 8 121.100 118.823 2.277 1
1 96 . 10 1 1 A 9 9 ASN H H 9 8.404 8.686 -0.282 1
1 97 . 10 1 1 A 9 9 ASN HA H 9 4.654 4.946 -0.292 1
1 102 . 10 1 1 A 9 9 ASN C C 9 174.445 175.351 -0.906 1
1 103 . 10 1 1 A 9 9 ASN CA C 9 53.190 54.400 -1.210 1
1 104 . 10 1 1 A 9 9 ASN CB C 9 38.913 40.209 -1.296 1
1 106 . 10 1 1 A 9 9 ASN N N 9 119.104 126.026 -6.922 1
1 108 . 10 1 1 A 10 10 ASN H H 10 8.306 8.175 0.131 1
1 109 . 10 1 1 A 10 10 ASN HA H 10 4.964 5.107 -0.143 1
1 114 . 10 1 1 A 10 10 ASN C C 10 174.315 174.857 -0.542 1
1 115 . 10 1 1 A 10 10 ASN CA C 10 51.318 49.550 1.768 1
1 116 . 10 1 1 A 10 10 ASN CB C 10 38.992 41.422 -2.430 1
1 118 . 10 1 1 A 10 10 ASN N N 10 119.847 115.373 4.474 1
1 120 . 10 1 1 A 11 11 PRO HA H 11 4.427 4.348 0.079 1
1 127 . 10 1 1 A 11 11 PRO C C 11 177.095 177.960 -0.865 1
1 128 . 10 1 1 A 11 11 PRO CA C 11 64.214 65.318 -1.104 1
1 129 . 10 1 1 A 11 11 PRO CB C 11 32.355 31.854 0.501 1
1 132 . 10 1 1 A 12 12 LEU H H 12 8.102 8.096 0.006 1
1 133 . 10 1 1 A 12 12 LEU HA H 12 4.320 4.380 -0.060 1
1 143 . 10 1 1 A 12 12 LEU C C 12 177.341 177.587 -0.246 1
1 144 . 10 1 1 A 12 12 LEU CA C 12 54.883 56.850 -1.967 1
1 145 . 10 1 1 A 12 12 LEU CB C 12 41.300 42.855 -1.555 1
1 149 . 10 1 1 A 12 12 LEU N N 12 117.525 116.575 0.950 1
1 150 . 10 1 1 A 13 13 HIS H H 13 8.004 8.463 -0.459 1
1 151 . 10 1 1 A 13 13 HIS HA H 13 4.453 4.437 0.016 1
1 154 . 10 1 1 A 13 13 HIS C C 13 175.375 174.593 0.782 1
1 155 . 10 1 1 A 13 13 HIS CA C 13 56.796 56.358 0.438 1
1 156 . 10 1 1 A 13 13 HIS CB C 13 28.248 29.412 -1.164 1
1 157 . 10 1 1 A 13 13 HIS N N 13 117.833 117.438 0.395 1
1 158 . 10 1 1 A 14 14 GLY H H 14 8.530 8.246 0.284 1
1 159 . 10 1 1 A 14 14 GLY HA2 H 14 3.930 3.719 0.211 1
1 160 . 10 1 1 A 14 14 GLY HA3 H 14 3.755 3.833 -0.078 1
1 161 . 10 1 1 A 14 14 GLY C C 14 173.536 174.339 -0.803 1
1 162 . 10 1 1 A 14 14 GLY CA C 14 45.529 45.396 0.133 1
1 163 . 10 1 1 A 14 14 GLY N N 14 110.385 113.990 -3.605 1
1 164 . 10 1 1 A 15 15 ILE H H 15 7.563 7.742 -0.179 1
1 165 . 10 1 1 A 15 15 ILE HA H 15 4.392 4.042 0.350 1
1 175 . 10 1 1 A 15 15 ILE C C 15 174.878 175.805 -0.927 1
1 176 . 10 1 1 A 15 15 ILE CA C 15 60.102 61.221 -1.119 1
1 177 . 10 1 1 A 15 15 ILE CB C 15 39.383 37.399 1.984 1
1 181 . 10 1 1 A 15 15 ILE N N 15 120.363 121.881 -1.518 1
1 182 . 10 1 1 A 16 16 THR H H 16 7.643 8.330 -0.687 1
1 183 . 10 1 1 A 16 16 THR HA H 16 4.381 4.586 -0.205 1
1 188 . 10 1 1 A 16 16 THR C C 16 174.950 175.675 -0.725 1
1 189 . 10 1 1 A 16 16 THR CA C 16 60.355 60.717 -0.362 1
1 190 . 10 1 1 A 16 16 THR CB C 16 70.834 70.962 -0.128 1
1 192 . 10 1 1 A 16 16 THR N N 16 115.980 120.377 -4.397 1
1 193 . 10 1 1 A 17 17 LEU H H 17 8.712 8.757 -0.045 1
1 194 . 10 1 1 A 17 17 LEU HA H 17 4.029 3.962 0.067 1
1 204 . 10 1 1 A 17 17 LEU C C 17 178.125 177.911 0.214 1
1 205 . 10 1 1 A 17 17 LEU CA C 17 57.582 58.255 -0.673 1
1 206 . 10 1 1 A 17 17 LEU CB C 17 40.906 41.598 -0.692 1
1 210 . 10 1 1 A 17 17 LEU N N 17 123.337 123.493 -0.156 1
1 211 . 10 1 1 A 18 18 GLN H H 18 8.611 8.163 0.448 1
1 212 . 10 1 1 A 18 18 GLN HA H 18 3.774 3.989 -0.215 1
1 219 . 10 1 1 A 18 18 GLN C C 18 178.211 178.598 -0.387 1
1 220 . 10 1 1 A 18 18 GLN CA C 18 60.388 59.261 1.127 1
1 221 . 10 1 1 A 18 18 GLN CB C 18 27.809 28.730 -0.921 1
1 224 . 10 1 1 A 18 18 GLN N N 18 116.423 118.756 -2.333 1
1 226 . 10 1 1 A 19 19 LYS H H 19 7.861 7.286 0.575 1
1 227 . 10 1 1 A 19 19 LYS HA H 19 3.957 4.165 -0.208 1
1 236 . 10 1 1 A 19 19 LYS C C 19 177.806 178.749 -0.943 1
1 237 . 10 1 1 A 19 19 LYS CA C 19 59.684 58.784 0.900 1
1 238 . 10 1 1 A 19 19 LYS CB C 19 32.300 31.844 0.456 1
1 242 . 10 1 1 A 19 19 LYS N N 19 123.583 119.775 3.808 1
1 243 . 10 1 1 A 20 20 LEU H H 20 8.223 8.162 0.061 1
1 244 . 10 1 1 A 20 20 LEU HA H 20 3.418 3.676 -0.258 1
1 254 . 10 1 1 A 20 20 LEU C C 20 178.417 178.239 0.178 1
1 255 . 10 1 1 A 20 20 LEU CA C 20 59.301 58.029 1.272 1
1 256 . 10 1 1 A 20 20 LEU CB C 20 41.370 41.430 -0.060 1
1 260 . 10 1 1 A 20 20 LEU N N 20 121.397 121.057 0.340 1
1 261 . 10 1 1 A 21 21 LEU H H 21 8.649 8.292 0.357 1
1 262 . 10 1 1 A 21 21 LEU HA H 21 3.872 3.939 -0.067 1
1 272 . 10 1 1 A 21 21 LEU C C 21 178.009 178.566 -0.557 1
1 273 . 10 1 1 A 21 21 LEU CA C 21 58.027 58.212 -0.185 1
1 274 . 10 1 1 A 21 21 LEU CB C 21 42.279 41.452 0.827 1
1 278 . 10 1 1 A 21 21 LEU N N 21 118.999 119.712 -0.713 1
1 279 . 10 1 1 A 22 22 THR H H 22 8.025 7.983 0.042 1
1 280 . 10 1 1 A 22 22 THR HA H 22 3.592 3.762 -0.170 1
1 285 . 10 1 1 A 22 22 THR C C 22 176.358 176.554 -0.196 1
1 286 . 10 1 1 A 22 22 THR CA C 22 67.879 66.970 0.909 1
1 287 . 10 1 1 A 22 22 THR CB C 22 68.717 68.693 0.024 1
1 289 . 10 1 1 A 22 22 THR N N 22 115.015 114.733 0.282 1
1 290 . 10 1 1 A 23 23 GLU H H 23 8.158 8.846 -0.688 1
1 291 . 10 1 1 A 23 23 GLU HA H 23 4.068 4.018 0.050 1
1 296 . 10 1 1 A 23 23 GLU C C 23 180.091 179.566 0.525 1
1 297 . 10 1 1 A 23 23 GLU CA C 23 59.845 59.607 0.238 1
1 298 . 10 1 1 A 23 23 GLU CB C 23 29.101 29.590 -0.489 1
1 300 . 10 1 1 A 23 23 GLU N N 23 120.691 119.708 0.983 1
1 301 . 10 1 1 A 24 24 LEU H H 24 8.121 7.834 0.287 1
1 302 . 10 1 1 A 24 24 LEU HA H 24 4.140 4.299 -0.159 1
1 312 . 10 1 1 A 24 24 LEU C C 24 179.047 179.178 -0.131 1
1 313 . 10 1 1 A 24 24 LEU CA C 24 58.438 58.163 0.275 1
1 314 . 10 1 1 A 24 24 LEU CB C 24 42.715 42.077 0.638 1
1 318 . 10 1 1 A 24 24 LEU N N 24 119.210 120.702 -1.492 1
1 319 . 10 1 1 A 25 25 VAL H H 25 8.577 8.214 0.363 1
1 320 . 10 1 1 A 25 25 VAL HA H 25 2.698 3.170 -0.472 1
1 328 . 10 1 1 A 25 25 VAL C C 25 179.143 178.112 1.031 1
1 329 . 10 1 1 A 25 25 VAL CA C 25 67.077 66.862 0.215 1
1 330 . 10 1 1 A 25 25 VAL CB C 25 31.127 30.836 0.291 1
1 333 . 10 1 1 A 25 25 VAL N N 25 122.036 118.631 3.405 1
1 334 . 10 1 1 A 26 26 GLU H H 26 8.216 8.524 -0.308 1
1 335 . 10 1 1 A 26 26 GLU HA H 26 3.858 3.916 -0.058 1
1 340 . 10 1 1 A 26 26 GLU C C 26 177.409 178.465 -1.056 1
1 341 . 10 1 1 A 26 26 GLU CA C 26 59.105 59.585 -0.480 1
1 342 . 10 1 1 A 26 26 GLU CB C 26 29.025 29.329 -0.304 1
1 344 . 10 1 1 A 26 26 GLU N N 26 119.262 119.286 -0.024 1
1 345 . 10 1 1 A 27 27 HIS H H 27 7.815 8.001 -0.186 1
1 346 . 10 1 1 A 27 27 HIS HA H 27 4.183 4.110 0.073 1
1 349 . 10 1 1 A 27 27 HIS C C 27 175.618 176.294 -0.676 1
1 350 . 10 1 1 A 27 27 HIS CA C 27 58.932 59.027 -0.095 1
1 351 . 10 1 1 A 27 27 HIS CB C 27 29.358 30.059 -0.701 1
1 352 . 10 1 1 A 27 27 HIS N N 27 114.100 120.810 -6.710 1
1 353 . 10 1 1 A 28 28 TYR H H 28 8.628 8.272 0.356 1
1 354 . 10 1 1 A 28 28 TYR HA H 28 4.424 4.184 0.240 1
1 361 . 10 1 1 A 28 28 TYR C C 28 177.445 176.338 1.107 1
1 362 . 10 1 1 A 28 28 TYR CA C 28 60.294 60.861 -0.567 1
1 363 . 10 1 1 A 28 28 TYR CB C 28 40.851 38.938 1.913 1
1 368 . 10 1 1 A 28 28 TYR N N 28 113.706 114.735 -1.029 1
1 369 . 10 1 1 A 29 29 GLY H H 29 7.713 7.507 0.206 1
1 370 . 10 1 1 A 29 29 GLY HA2 H 29 4.366 3.915 0.451 1
1 371 . 10 1 1 A 29 29 GLY HA3 H 29 3.846 4.050 -0.204 1
1 372 . 10 1 1 A 29 29 GLY C C 29 172.549 174.956 -2.407 1
1 373 . 10 1 1 A 29 29 GLY CA C 29 44.258 44.032 0.226 1
1 374 . 10 1 1 A 29 29 GLY N N 29 107.840 104.180 3.660 1
1 375 . 10 1 1 A 30 30 TRP H H 30 7.960 8.754 -0.794 1
1 376 . 10 1 1 A 30 30 TRP HA H 30 4.136 4.124 0.012 1
1 385 . 10 1 1 A 30 30 TRP C C 30 178.090 178.483 -0.393 1
1 386 . 10 1 1 A 30 30 TRP CA C 30 60.502 59.693 0.809 1
1 387 . 10 1 1 A 30 30 TRP CB C 30 30.304 28.936 1.368 1
1 393 . 10 1 1 A 30 30 TRP N N 30 118.175 121.224 -3.049 1
1 395 . 10 1 1 A 31 31 GLU H H 31 8.549 8.534 0.015 1
1 396 . 10 1 1 A 31 31 GLU HA H 31 3.992 4.128 -0.136 1
1 401 . 10 1 1 A 31 31 GLU C C 31 179.942 179.025 0.917 1
1 402 . 10 1 1 A 31 31 GLU CA C 31 60.090 59.438 0.652 1
1 403 . 10 1 1 A 31 31 GLU CB C 31 28.474 29.291 -0.817 1
1 405 . 10 1 1 A 31 31 GLU N N 31 118.099 117.769 0.330 1
1 406 . 10 1 1 A 32 32 GLU H H 32 8.962 8.119 0.843 1
1 407 . 10 1 1 A 32 32 GLU HA H 32 4.137 4.139 -0.002 1
1 412 . 10 1 1 A 32 32 GLU C C 32 179.651 179.390 0.261 1
1 413 . 10 1 1 A 32 32 GLU CA C 32 58.745 59.251 -0.506 1
1 414 . 10 1 1 A 32 32 GLU CB C 32 28.145 29.367 -1.222 1
1 416 . 10 1 1 A 32 32 GLU N N 32 120.094 119.688 0.406 1
1 417 . 10 1 1 A 33 33 LEU H H 33 7.748 8.041 -0.293 1
1 418 . 10 1 1 A 33 33 LEU HA H 33 3.922 3.839 0.083 1
1 428 . 10 1 1 A 33 33 LEU C C 33 178.833 179.289 -0.456 1
1 429 . 10 1 1 A 33 33 LEU CA C 33 58.577 57.719 0.858 1
1 430 . 10 1 1 A 33 33 LEU CB C 33 41.269 41.163 0.106 1
1 434 . 10 1 1 A 33 33 LEU N N 33 118.890 120.266 -1.376 1
1 435 . 10 1 1 A 34 34 SER H H 34 8.607 8.163 0.444 1
1 436 . 10 1 1 A 34 34 SER HA H 34 4.642 4.653 -0.011 1
1 439 . 10 1 1 A 34 34 SER C C 34 175.346 176.550 -1.204 1
1 440 . 10 1 1 A 34 34 SER CA C 34 61.247 59.530 1.717 1
1 441 . 10 1 1 A 34 34 SER CB C 34 63.043 63.091 -0.048 1
1 442 . 10 1 1 A 34 34 SER N N 34 114.464 114.622 -0.158 1
1 443 . 10 1 1 A 35 35 TYR H H 35 7.395 8.083 -0.688 1
1 444 . 10 1 1 A 35 35 TYR HA H 35 4.537 4.246 0.291 1
1 451 . 10 1 1 A 35 35 TYR C C 35 177.940 177.442 0.498 1
1 452 . 10 1 1 A 35 35 TYR CA C 35 58.907 61.554 -2.647 1
1 453 . 10 1 1 A 35 35 TYR CB C 35 37.852 38.474 -0.622 1
1 458 . 10 1 1 A 35 35 TYR N N 35 120.804 123.366 -2.562 1
1 459 . 10 1 1 A 36 36 MET H H 36 7.840 8.347 -0.507 1
1 460 . 10 1 1 A 36 36 MET HA H 36 4.158 3.878 0.280 1
1 468 . 10 1 1 A 36 36 MET C C 36 177.049 175.836 1.213 1
1 469 . 10 1 1 A 36 36 MET CA C 36 58.684 58.539 0.145 1
1 470 . 10 1 1 A 36 36 MET CB C 36 34.927 33.691 1.236 1
1 473 . 10 1 1 A 36 36 MET N N 36 118.425 116.992 1.433 1
1 474 . 10 1 1 A 37 37 VAL H H 37 8.469 8.492 -0.023 1
1 475 . 10 1 1 A 37 37 VAL HA H 37 4.265 4.279 -0.014 1
1 483 . 10 1 1 A 37 37 VAL C C 37 173.959 175.084 -1.125 1
1 484 . 10 1 1 A 37 37 VAL CA C 37 61.621 61.690 -0.069 1
1 485 . 10 1 1 A 37 37 VAL CB C 37 32.527 32.123 0.404 1
1 488 . 10 1 1 A 37 37 VAL N N 37 117.997 118.802 -0.805 1
1 489 . 10 1 1 A 38 38 ASN H H 38 8.677 8.798 -0.121 1
1 490 . 10 1 1 A 38 38 ASN HA H 38 4.948 4.980 -0.032 1
1 495 . 10 1 1 A 38 38 ASN C C 38 174.710 174.258 0.452 1
1 496 . 10 1 1 A 38 38 ASN CA C 38 53.444 52.970 0.474 1
1 497 . 10 1 1 A 38 38 ASN CB C 38 37.001 36.822 0.179 1
1 499 . 10 1 1 A 38 38 ASN N N 38 123.121 126.906 -3.785 1
1 501 . 10 1 1 A 39 39 ILE H H 39 7.744 8.158 -0.414 1
1 502 . 10 1 1 A 39 39 ILE HA H 39 4.655 4.719 -0.064 1
1 512 . 10 1 1 A 39 39 ILE C C 39 176.996 176.024 0.972 1
1 513 . 10 1 1 A 39 39 ILE CA C 39 59.201 58.257 0.944 1
1 514 . 10 1 1 A 39 39 ILE CB C 39 40.558 40.914 -0.356 1
1 518 . 10 1 1 A 39 39 ILE N N 39 115.722 119.435 -3.713 1
1 519 . 10 1 1 A 40 40 ASN H H 40 8.881 8.715 0.166 1
1 520 . 10 1 1 A 40 40 ASN HA H 40 4.192 4.273 -0.081 1
1 525 . 10 1 1 A 40 40 ASN C C 40 177.705 176.912 0.793 1
1 526 . 10 1 1 A 40 40 ASN CA C 40 56.883 55.716 1.167 1
1 527 . 10 1 1 A 40 40 ASN CB C 40 38.313 37.916 0.397 1
1 529 . 10 1 1 A 40 40 ASN N N 40 124.600 120.904 3.696 1
1 531 . 10 1 1 A 41 41 CYS H H 41 8.034 7.619 0.415 1
1 532 . 10 1 1 A 41 41 CYS HA H 41 4.373 3.891 0.482 1
1 535 . 10 1 1 A 41 41 CYS C C 41 174.303 176.398 -2.095 1
1 536 . 10 1 1 A 41 41 CYS CA C 41 59.164 63.131 -3.967 1
1 537 . 10 1 1 A 41 41 CYS CB C 41 26.126 26.568 -0.442 1
1 538 . 10 1 1 A 41 41 CYS N N 41 115.097 117.122 -2.025 1
1 539 . 10 1 1 A 42 42 PHE H H 42 7.031 6.951 0.080 1
1 540 . 10 1 1 A 42 42 PHE HA H 42 4.937 4.495 0.442 1
1 548 . 10 1 1 A 42 42 PHE C C 42 174.437 176.833 -2.396 1
1 549 . 10 1 1 A 42 42 PHE CA C 42 54.439 58.844 -4.405 1
1 550 . 10 1 1 A 42 42 PHE CB C 42 38.059 38.781 -0.722 1
1 556 . 10 1 1 A 42 42 PHE N N 42 117.304 117.095 0.209 1
1 557 . 10 1 1 A 43 43 LYS H H 43 7.371 7.794 -0.423 1
1 558 . 10 1 1 A 43 43 LYS HA H 43 4.304 4.407 -0.103 1
1 567 . 10 1 1 A 43 43 LYS C C 43 175.800 176.666 -0.866 1
1 568 . 10 1 1 A 43 43 LYS CA C 43 57.474 56.671 0.803 1
1 569 . 10 1 1 A 43 43 LYS CB C 43 34.978 34.188 0.790 1
1 573 . 10 1 1 A 43 43 LYS N N 43 116.029 116.410 -0.381 1
1 574 . 10 1 1 A 44 44 LYS H H 44 7.593 7.804 -0.211 1
1 575 . 10 1 1 A 44 44 LYS HA H 44 4.302 4.549 -0.247 1
1 584 . 10 1 1 A 44 44 LYS C C 44 173.608 175.294 -1.686 1
1 585 . 10 1 1 A 44 44 LYS CA C 44 55.169 55.647 -0.478 1
1 586 . 10 1 1 A 44 44 LYS CB C 44 33.123 34.862 -1.739 1
1 590 . 10 1 1 A 44 44 LYS N N 44 119.851 119.744 0.107 1
1 591 . 10 1 1 A 45 45 ASP H H 45 8.774 8.987 -0.213 1
1 592 . 10 1 1 A 45 45 ASP HA H 45 4.200 4.150 0.050 1
1 595 . 10 1 1 A 45 45 ASP C C 45 172.128 175.196 -3.068 1
1 596 . 10 1 1 A 45 45 ASP CA C 45 53.963 54.818 -0.855 1
1 597 . 10 1 1 A 45 45 ASP CB C 45 40.263 39.337 0.926 1
1 598 . 10 1 1 A 45 45 ASP N N 45 122.276 125.749 -3.473 1
1 599 . 10 1 1 A 46 46 PRO HA H 46 3.930 4.667 -0.737 1
1 606 . 10 1 1 A 46 46 PRO C C 46 176.968 175.325 1.643 1
1 607 . 10 1 1 A 46 46 PRO CA C 46 62.964 61.940 1.024 1
1 608 . 10 1 1 A 46 46 PRO CB C 46 30.892 31.324 -0.432 1
1 611 . 10 1 1 A 47 47 SER H H 47 8.018 8.451 -0.433 1
1 612 . 10 1 1 A 47 47 SER HA H 47 4.676 4.756 -0.080 1
1 615 . 10 1 1 A 47 47 SER C C 47 175.465 174.135 1.330 1
1 616 . 10 1 1 A 47 47 SER CA C 47 57.014 57.496 -0.482 1
1 617 . 10 1 1 A 47 47 SER CB C 47 66.436 67.381 -0.945 1
1 618 . 10 1 1 A 47 47 SER N N 47 112.273 117.875 -5.602 1
1 619 . 10 1 1 A 48 48 ILE H H 48 9.489 9.083 0.406 1
1 620 . 10 1 1 A 48 48 ILE HA H 48 4.013 4.039 -0.026 1
1 630 . 10 1 1 A 48 48 ILE C C 48 177.681 178.233 -0.552 1
1 631 . 10 1 1 A 48 48 ILE CA C 48 64.456 65.555 -1.099 1
1 632 . 10 1 1 A 48 48 ILE CB C 48 36.382 38.214 -1.832 1
1 636 . 10 1 1 A 48 48 ILE N N 48 126.826 124.665 2.161 1
1 637 . 10 1 1 A 49 49 LYS H H 49 8.735 8.339 0.396 1
1 638 . 10 1 1 A 49 49 LYS HA H 49 3.984 4.075 -0.091 1
1 647 . 10 1 1 A 49 49 LYS C C 49 179.784 179.263 0.521 1
1 648 . 10 1 1 A 49 49 LYS CA C 49 60.562 58.938 1.624 1
1 649 . 10 1 1 A 49 49 LYS CB C 49 32.533 32.039 0.494 1
1 653 . 10 1 1 A 49 49 LYS N N 49 118.592 121.608 -3.016 1
1 654 . 10 1 1 A 50 50 SER H H 50 8.065 8.047 0.018 1
1 655 . 10 1 1 A 50 50 SER HA H 50 4.270 4.230 0.040 1
1 658 . 10 1 1 A 50 50 SER C C 50 178.135 175.479 2.656 1
1 659 . 10 1 1 A 50 50 SER CA C 50 61.431 61.581 -0.150 1
1 660 . 10 1 1 A 50 50 SER CB C 50 62.672 63.114 -0.442 1
1 661 . 10 1 1 A 50 50 SER N N 50 114.354 117.725 -3.371 1
1 662 . 10 1 1 A 51 51 SER H H 51 8.300 8.033 0.267 1
1 663 . 10 1 1 A 51 51 SER HA H 51 4.681 4.370 0.311 1
1 666 . 10 1 1 A 51 51 SER C C 51 176.245 176.125 0.120 1
1 667 . 10 1 1 A 51 51 SER CA C 51 63.327 61.799 1.528 1
1 668 . 10 1 1 A 51 51 SER CB C 51 64.340 63.789 0.551 1
1 669 . 10 1 1 A 51 51 SER N N 51 120.855 119.577 1.278 1
1 670 . 10 1 1 A 52 52 LEU H H 52 8.849 8.553 0.296 1
1 671 . 10 1 1 A 52 52 LEU HA H 52 3.902 3.958 -0.056 1
1 681 . 10 1 1 A 52 52 LEU C C 52 178.339 179.406 -1.067 1
1 682 . 10 1 1 A 52 52 LEU CA C 52 58.600 58.092 0.508 1
1 683 . 10 1 1 A 52 52 LEU CB C 52 41.685 41.521 0.164 1
1 687 . 10 1 1 A 52 52 LEU N N 52 122.627 120.891 1.736 1
1 688 . 10 1 1 A 53 53 LYS H H 53 7.268 8.382 -1.114 1
1 689 . 10 1 1 A 53 53 LYS HA H 53 3.957 4.122 -0.165 1
1 698 . 10 1 1 A 53 53 LYS C C 53 178.750 178.528 0.222 1
1 699 . 10 1 1 A 53 53 LYS CA C 53 59.867 58.761 1.106 1
1 700 . 10 1 1 A 53 53 LYS CB C 53 32.475 32.048 0.427 1
1 704 . 10 1 1 A 53 53 LYS N N 53 117.100 117.425 -0.325 1
1 705 . 10 1 1 A 54 54 PHE H H 54 7.388 8.232 -0.844 1
1 706 . 10 1 1 A 54 54 PHE HA H 54 4.167 4.110 0.057 1
1 714 . 10 1 1 A 54 54 PHE C C 54 178.975 177.203 1.772 1
1 715 . 10 1 1 A 54 54 PHE CA C 54 61.515 61.214 0.301 1
1 716 . 10 1 1 A 54 54 PHE CB C 54 39.619 38.962 0.657 1
1 722 . 10 1 1 A 54 54 PHE N N 54 117.704 120.711 -3.007 1
1 723 . 10 1 1 A 55 55 LEU H H 55 9.142 8.400 0.742 1
1 724 . 10 1 1 A 55 55 LEU HA H 55 3.720 3.713 0.007 1
1 734 . 10 1 1 A 55 55 LEU C C 55 178.763 179.778 -1.015 1
1 735 . 10 1 1 A 55 55 LEU CA C 55 57.656 57.764 -0.108 1
1 736 . 10 1 1 A 55 55 LEU CB C 55 42.837 41.308 1.529 1
1 740 . 10 1 1 A 55 55 LEU N N 55 120.396 118.880 1.516 1
1 741 . 10 1 1 A 56 56 ARG H H 56 8.338 8.818 -0.480 1
1 742 . 10 1 1 A 56 56 ARG HA H 56 3.855 4.000 -0.145 1
1 750 . 10 1 1 A 56 56 ARG C C 56 176.697 177.945 -1.248 1
1 751 . 10 1 1 A 56 56 ARG CA C 56 59.452 58.221 1.231 1
1 752 . 10 1 1 A 56 56 ARG CB C 56 30.239 29.875 0.364 1
1 755 . 10 1 1 A 56 56 ARG N N 56 116.866 118.257 -1.391 1
1 757 . 10 1 1 A 57 57 LYS H H 57 6.770 7.114 -0.344 1
1 758 . 10 1 1 A 57 57 LYS HA H 57 4.542 4.230 0.312 1
1 767 . 10 1 1 A 57 57 LYS C C 57 176.148 176.325 -0.177 1
1 768 . 10 1 1 A 57 57 LYS CA C 57 55.545 57.510 -1.965 1
1 769 . 10 1 1 A 57 57 LYS CB C 57 33.805 33.446 0.359 1
1 773 . 10 1 1 A 57 57 LYS N N 57 113.205 116.891 -3.686 1
1 774 . 10 1 1 A 58 58 THR H H 58 6.908 8.005 -1.097 1
1 775 . 10 1 1 A 58 58 THR HA H 58 4.212 4.210 0.002 1
1 780 . 10 1 1 A 58 58 THR C C 58 173.643 173.908 -0.265 1
1 781 . 10 1 1 A 58 58 THR CA C 58 60.688 61.169 -0.481 1
1 782 . 10 1 1 A 58 58 THR CB C 58 67.557 67.760 -0.203 1
1 784 . 10 1 1 A 58 58 THR N N 58 117.915 114.395 3.520 1
1 785 . 10 1 1 A 59 59 ASP H H 59 8.789 8.807 -0.018 1
1 786 . 10 1 1 A 59 59 ASP HA H 59 4.128 4.155 -0.027 1
1 789 . 10 1 1 A 59 59 ASP C C 59 178.565 179.076 -0.511 1
1 790 . 10 1 1 A 59 59 ASP CA C 59 58.506 57.682 0.824 1
1 791 . 10 1 1 A 59 59 ASP CB C 59 39.530 40.230 -0.700 1
1 792 . 10 1 1 A 59 59 ASP N N 59 128.511 127.051 1.460 1
1 793 . 10 1 1 A 60 60 TRP H H 60 8.638 8.185 0.453 1
1 794 . 10 1 1 A 60 60 TRP HA H 60 4.375 4.466 -0.091 1
1 803 . 10 1 1 A 60 60 TRP C C 60 178.277 178.621 -0.344 1
1 804 . 10 1 1 A 60 60 TRP CA C 60 59.183 59.865 -0.682 1
1 805 . 10 1 1 A 60 60 TRP CB C 60 26.962 28.065 -1.103 1
1 811 . 10 1 1 A 60 60 TRP N N 60 117.515 118.458 -0.943 1
1 813 . 10 1 1 A 61 61 ALA H H 61 5.533 7.498 -1.965 1
1 814 . 10 1 1 A 61 61 ALA HA H 61 3.414 3.800 -0.386 1
1 818 . 10 1 1 A 61 61 ALA C C 61 177.616 179.375 -1.759 1
1 819 . 10 1 1 A 61 61 ALA CA C 61 54.478 54.720 -0.242 1
1 820 . 10 1 1 A 61 61 ALA CB C 61 17.904 17.806 0.098 1
1 821 . 10 1 1 A 61 61 ALA N N 61 125.465 123.775 1.690 1
1 822 . 10 1 1 A 62 62 ARG H H 62 7.811 7.640 0.171 1
1 823 . 10 1 1 A 62 62 ARG HA H 62 3.617 3.953 -0.336 1
1 831 . 10 1 1 A 62 62 ARG C C 62 177.918 178.775 -0.857 1
1 832 . 10 1 1 A 62 62 ARG CA C 62 60.708 59.653 1.055 1
1 833 . 10 1 1 A 62 62 ARG CB C 62 29.156 30.113 -0.957 1
1 836 . 10 1 1 A 62 62 ARG N N 62 120.420 118.392 2.028 1
1 838 . 10 1 1 A 63 63 GLU H H 63 8.412 8.487 -0.075 1
1 839 . 10 1 1 A 63 63 GLU HA H 63 4.041 4.067 -0.026 1
1 844 . 10 1 1 A 63 63 GLU C C 63 178.935 178.717 0.218 1
1 845 . 10 1 1 A 63 63 GLU CA C 63 59.509 58.798 0.711 1
1 846 . 10 1 1 A 63 63 GLU CB C 63 28.759 28.160 0.599 1
1 848 . 10 1 1 A 63 63 GLU N N 63 117.144 117.169 -0.025 1
1 849 . 10 1 1 A 64 64 ARG H H 64 7.603 7.619 -0.016 1
1 850 . 10 1 1 A 64 64 ARG HA H 64 4.256 4.117 0.139 1
1 858 . 10 1 1 A 64 64 ARG C C 64 179.133 178.635 0.498 1
1 859 . 10 1 1 A 64 64 ARG CA C 64 59.340 59.394 -0.054 1
1 860 . 10 1 1 A 64 64 ARG CB C 64 30.067 30.255 -0.188 1
1 863 . 10 1 1 A 64 64 ARG N N 64 118.298 119.514 -1.216 1
1 865 . 10 1 1 A 65 65 VAL H H 65 8.065 8.130 -0.065 1
1 866 . 10 1 1 A 65 65 VAL HA H 65 3.713 3.561 0.152 1
1 874 . 10 1 1 A 65 65 VAL C C 65 177.638 177.824 -0.186 1
1 875 . 10 1 1 A 65 65 VAL CA C 65 66.891 66.796 0.095 1
1 876 . 10 1 1 A 65 65 VAL CB C 65 31.480 31.552 -0.072 1
1 879 . 10 1 1 A 65 65 VAL N N 65 117.270 120.114 -2.844 1
1 880 . 10 1 1 A 66 66 GLU H H 66 8.583 8.617 -0.034 1
1 881 . 10 1 1 A 66 66 GLU HA H 66 3.912 3.976 -0.064 1
1 886 . 10 1 1 A 66 66 GLU C C 66 178.380 179.543 -1.163 1
1 887 . 10 1 1 A 66 66 GLU CA C 66 60.256 59.859 0.397 1
1 888 . 10 1 1 A 66 66 GLU CB C 66 28.691 29.193 -0.502 1
1 890 . 10 1 1 A 66 66 GLU N N 66 119.924 118.943 0.981 1
1 891 . 10 1 1 A 67 67 ASN H H 67 8.267 8.278 -0.011 1
1 892 . 10 1 1 A 67 67 ASN HA H 67 4.567 4.525 0.042 1
1 897 . 10 1 1 A 67 67 ASN C C 67 178.338 177.928 0.410 1
1 898 . 10 1 1 A 67 67 ASN CA C 67 56.900 56.678 0.222 1
1 899 . 10 1 1 A 67 67 ASN CB C 67 38.802 39.200 -0.398 1
1 901 . 10 1 1 A 67 67 ASN N N 67 117.574 117.501 0.073 1
1 903 . 10 1 1 A 68 68 ILE H H 68 8.132 7.761 0.371 1
1 904 . 10 1 1 A 68 68 ILE HA H 68 3.726 3.614 0.112 1
1 914 . 10 1 1 A 68 68 ILE C C 68 178.722 178.050 0.672 1
1 915 . 10 1 1 A 68 68 ILE CA C 68 65.388 65.384 0.004 1
1 916 . 10 1 1 A 68 68 ILE CB C 68 37.841 37.606 0.235 1
1 920 . 10 1 1 A 68 68 ILE N N 68 121.125 119.509 1.616 1
1 921 . 10 1 1 A 69 69 TYR H H 69 8.146 8.364 -0.218 1
1 922 . 10 1 1 A 69 69 TYR HA H 69 4.058 4.164 -0.106 1
1 929 . 10 1 1 A 69 69 TYR C C 69 177.061 177.637 -0.576 1
1 930 . 10 1 1 A 69 69 TYR CA C 69 62.828 61.670 1.158 1
1 931 . 10 1 1 A 69 69 TYR CB C 69 38.747 38.721 0.026 1
1 936 . 10 1 1 A 69 69 TYR N N 69 121.378 121.810 -0.432 1
1 937 . 10 1 1 A 70 70 LEU H H 70 8.630 8.379 0.251 1
1 938 . 10 1 1 A 70 70 LEU HA H 70 3.875 3.845 0.030 1
1 948 . 10 1 1 A 70 70 LEU C C 70 179.755 179.747 0.008 1
1 949 . 10 1 1 A 70 70 LEU CA C 70 58.230 58.047 0.183 1
1 950 . 10 1 1 A 70 70 LEU CB C 70 41.733 41.525 0.208 1
1 954 . 10 1 1 A 70 70 LEU N N 70 120.179 120.063 0.116 1
1 955 . 10 1 1 A 71 71 LYS H H 71 7.950 7.974 -0.024 1
1 956 . 10 1 1 A 71 71 LYS HA H 71 3.957 4.054 -0.097 1
1 965 . 10 1 1 A 71 71 LYS C C 71 178.961 179.361 -0.400 1
1 966 . 10 1 1 A 71 71 LYS CA C 71 59.684 59.283 0.401 1
1 967 . 10 1 1 A 71 71 LYS CB C 71 32.421 31.665 0.756 1
1 971 . 10 1 1 A 71 71 LYS N N 71 118.820 117.941 0.879 1
1 972 . 10 1 1 A 72 72 LEU H H 72 7.731 8.196 -0.465 1
1 973 . 10 1 1 A 72 72 LEU HA H 72 4.037 4.118 -0.081 1
1 983 . 10 1 1 A 72 72 LEU C C 72 178.533 178.568 -0.035 1
1 984 . 10 1 1 A 72 72 LEU CA C 72 57.352 57.695 -0.343 1
1 985 . 10 1 1 A 72 72 LEU CB C 72 41.406 41.590 -0.184 1
1 989 . 10 1 1 A 72 72 LEU N N 72 121.367 121.923 -0.556 1
1 990 . 10 1 1 A 73 73 GLN H H 73 7.884 8.199 -0.315 1
1 991 . 10 1 1 A 73 73 GLN HA H 73 3.852 3.839 0.013 1
1 998 . 10 1 1 A 73 73 GLN C C 73 177.679 178.773 -1.094 1
1 999 . 10 1 1 A 73 73 GLN CA C 73 57.026 59.191 -2.165 1
1 1000 . 10 1 1 A 73 73 GLN CB C 73 28.148 27.776 0.372 1
1 1003 . 10 1 1 A 73 73 GLN N N 73 116.639 117.772 -1.133 1
1 1005 . 10 1 1 A 74 74 ARG H H 74 7.725 7.805 -0.080 1
1 1006 . 10 1 1 A 74 74 ARG HA H 74 4.136 4.072 0.064 1
1 1013 . 10 1 1 A 74 74 ARG C C 74 177.235 179.119 -1.884 1
1 1014 . 10 1 1 A 74 74 ARG CA C 74 57.452 59.374 -1.922 1
1 1015 . 10 1 1 A 74 74 ARG CB C 74 30.308 29.726 0.582 1
1 1018 . 10 1 1 A 74 74 ARG N N 74 118.122 119.347 -1.225 1
1 1019 . 10 1 1 A 75 75 HIS H H 75 7.982 8.391 -0.409 1
1 1020 . 10 1 1 A 75 75 HIS HA H 75 4.564 4.141 0.423 1
1 1023 . 10 1 1 A 75 75 HIS C C 75 175.202 175.608 -0.406 1
1 1024 . 10 1 1 A 75 75 HIS CA C 75 56.587 58.969 -2.382 1
1 1025 . 10 1 1 A 75 75 HIS CB C 75 28.477 30.077 -1.600 1
1 1026 . 10 1 1 A 75 75 HIS N N 75 117.995 120.060 -2.065 1
1 1027 . 10 1 1 A 76 76 LYS H H 76 8.180 7.366 0.814 1
1 1028 . 10 1 1 A 76 76 LYS HA H 76 4.148 4.167 -0.019 1
1 1037 . 10 1 1 A 76 76 LYS C C 76 177.303 175.626 1.677 1
1 1038 . 10 1 1 A 76 76 LYS CA C 76 57.550 56.275 1.275 1
1 1039 . 10 1 1 A 76 76 LYS CB C 76 32.789 32.593 0.196 1
1 1043 . 10 1 1 A 76 76 LYS N N 76 121.510 119.255 2.255 1
1 1044 . 10 1 1 A 77 77 GLU H H 77 8.321 8.074 0.247 1
1 1045 . 10 1 1 A 77 77 GLU HA H 77 4.224 4.385 -0.161 1
1 1050 . 10 1 1 A 77 77 GLU C C 77 177.067 176.056 1.011 1
1 1051 . 10 1 1 A 77 77 GLU CA C 77 56.991 55.908 1.083 1
1 1052 . 10 1 1 A 77 77 GLU CB C 77 29.841 30.589 -0.748 1
1 1054 . 10 1 1 A 77 77 GLU N N 77 120.860 126.102 -5.242 1
1 1055 . 10 1 1 A 78 78 ARG H H 78 8.228 8.408 -0.180 1
1 1056 . 10 1 1 A 78 78 ARG HA H 78 4.240 4.471 -0.231 1
1 1063 . 10 1 1 A 78 78 ARG C C 78 176.577 175.645 0.932 1
1 1064 . 10 1 1 A 78 78 ARG CA C 78 56.786 56.357 0.429 1
1 1065 . 10 1 1 A 78 78 ARG CB C 78 30.413 30.585 -0.172 1
1 1068 . 10 1 1 A 78 78 ARG N N 78 121.081 123.941 -2.860 1
1 1069 . 10 1 1 A 79 79 ASN H H 79 8.333 8.095 0.238 1
1 1070 . 10 1 1 A 79 79 ASN HA H 79 4.617 4.616 0.001 1
1 1075 . 10 1 1 A 79 79 ASN C C 79 175.605 175.325 0.280 1
1 1076 . 10 1 1 A 79 79 ASN CA C 79 53.938 53.392 0.546 1
1 1077 . 10 1 1 A 79 79 ASN CB C 79 38.748 38.565 0.183 1
1 1079 . 10 1 1 A 79 79 ASN N N 79 118.880 125.029 -6.149 1
1 1081 . 10 1 1 A 80 80 GLN H H 80 8.285 8.513 -0.228 1
1 1082 . 10 1 1 A 80 80 GLN HA H 80 4.253 4.478 -0.225 1
1 1089 . 10 1 1 A 80 80 GLN C C 80 176.304 177.075 -0.771 1
1 1090 . 10 1 1 A 80 80 GLN CA C 80 56.545 56.040 0.505 1
1 1091 . 10 1 1 A 80 80 GLN CB C 80 29.274 29.005 0.269 1
1 1094 . 10 1 1 A 80 80 GLN N N 80 120.222 124.465 -4.243 1
1 1096 . 10 1 1 A 81 81 LEU H H 81 8.130 8.695 -0.565 1
1 1097 . 10 1 1 A 81 81 LEU HA H 81 4.222 4.291 -0.069 1
1 1107 . 10 1 1 A 81 81 LEU C C 81 177.542 176.575 0.967 1
1 1108 . 10 1 1 A 81 81 LEU CA C 81 55.736 55.790 -0.054 1
1 1109 . 10 1 1 A 81 81 LEU CB C 81 42.196 41.826 0.370 1
1 1113 . 10 1 1 A 81 81 LEU N N 81 122.119 122.825 -0.706 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.081 4.780 -0.699 1
1 5 . 11 1 1 A 2 2 ALA C C 2 173.423 177.401 -3.978 1
1 6 . 11 1 1 A 2 2 ALA CA C 2 51.798 51.674 0.124 1
1 7 . 11 1 1 A 2 2 ALA CB C 2 19.502 21.180 -1.678 1
1 8 . 11 1 1 A 3 3 LEU H H 3 8.547 8.624 -0.077 1
1 9 . 11 1 1 A 3 3 LEU HA H 3 4.394 4.292 0.102 1
1 19 . 11 1 1 A 3 3 LEU C C 3 176.779 176.687 0.092 1
1 20 . 11 1 1 A 3 3 LEU CA C 3 55.226 55.580 -0.354 1
1 21 . 11 1 1 A 3 3 LEU CB C 3 42.472 41.523 0.949 1
1 25 . 11 1 1 A 3 3 LEU N N 3 122.089 124.222 -2.133 1
1 26 . 11 1 1 A 4 4 ILE H H 4 8.319 7.536 0.783 1
1 27 . 11 1 1 A 4 4 ILE HA H 4 4.167 4.128 0.039 1
1 37 . 11 1 1 A 4 4 ILE C C 4 176.138 175.054 1.084 1
1 38 . 11 1 1 A 4 4 ILE CA C 4 60.894 61.543 -0.649 1
1 39 . 11 1 1 A 4 4 ILE CB C 4 38.595 38.592 0.003 1
1 43 . 11 1 1 A 4 4 ILE N N 4 123.468 122.664 0.804 1
1 44 . 11 1 1 A 5 5 MET H H 5 8.574 8.489 0.085 1
1 45 . 11 1 1 A 5 5 MET HA H 5 4.584 4.655 -0.071 1
1 50 . 11 1 1 A 5 5 MET C C 5 176.274 175.411 0.863 1
1 51 . 11 1 1 A 5 5 MET CA C 5 55.348 54.928 0.420 1
1 52 . 11 1 1 A 5 5 MET CB C 5 32.961 31.712 1.249 1
1 54 . 11 1 1 A 5 5 MET N N 5 125.527 128.367 -2.840 1
1 55 . 11 1 1 A 6 6 THR H H 6 8.172 8.048 0.124 1
1 56 . 11 1 1 A 6 6 THR HA H 6 4.331 4.809 -0.478 1
1 61 . 11 1 1 A 6 6 THR C C 6 174.578 174.106 0.472 1
1 62 . 11 1 1 A 6 6 THR CA C 6 61.849 61.804 0.045 1
1 63 . 11 1 1 A 6 6 THR CB C 6 69.904 71.335 -1.431 1
1 65 . 11 1 1 A 6 6 THR N N 6 115.487 117.917 -2.430 1
1 66 . 11 1 1 A 7 7 GLN H H 7 8.461 8.560 -0.099 1
1 67 . 11 1 1 A 7 7 GLN HA H 7 4.317 4.343 -0.026 1
1 74 . 11 1 1 A 7 7 GLN C C 7 176.108 176.324 -0.216 1
1 75 . 11 1 1 A 7 7 GLN CA C 7 56.149 57.148 -0.999 1
1 76 . 11 1 1 A 7 7 GLN CB C 7 29.491 29.281 0.210 1
1 79 . 11 1 1 A 7 7 GLN N N 7 122.199 125.502 -3.303 1
1 81 . 11 1 1 A 8 8 GLN H H 8 8.418 7.892 0.526 1
1 82 . 11 1 1 A 8 8 GLN HA H 8 4.219 4.444 -0.225 1
1 89 . 11 1 1 A 8 8 GLN C C 8 175.704 175.185 0.519 1
1 90 . 11 1 1 A 8 8 GLN CA C 8 56.112 55.451 0.661 1
1 91 . 11 1 1 A 8 8 GLN CB C 8 29.435 27.717 1.718 1
1 94 . 11 1 1 A 8 8 GLN N N 8 121.100 118.154 2.946 1
1 96 . 11 1 1 A 9 9 ASN H H 9 8.404 7.941 0.463 1
1 97 . 11 1 1 A 9 9 ASN HA H 9 4.654 5.086 -0.432 1
1 102 . 11 1 1 A 9 9 ASN C C 9 174.445 173.503 0.942 1
1 103 . 11 1 1 A 9 9 ASN CA C 9 53.190 53.251 -0.061 1
1 104 . 11 1 1 A 9 9 ASN CB C 9 38.913 41.001 -2.088 1
1 106 . 11 1 1 A 9 9 ASN N N 9 119.104 123.083 -3.979 1
1 108 . 11 1 1 A 10 10 ASN H H 10 8.306 8.712 -0.406 1
1 109 . 11 1 1 A 10 10 ASN HA H 10 4.964 5.260 -0.296 1
1 114 . 11 1 1 A 10 10 ASN C C 10 174.315 175.489 -1.174 1
1 115 . 11 1 1 A 10 10 ASN CA C 10 51.318 50.672 0.646 1
1 116 . 11 1 1 A 10 10 ASN CB C 10 38.992 39.846 -0.854 1
1 118 . 11 1 1 A 10 10 ASN N N 10 119.847 124.341 -4.494 1
1 120 . 11 1 1 A 11 11 PRO HA H 11 4.427 4.534 -0.107 1
1 127 . 11 1 1 A 11 11 PRO C C 11 177.095 178.061 -0.966 1
1 128 . 11 1 1 A 11 11 PRO CA C 11 64.214 64.290 -0.076 1
1 129 . 11 1 1 A 11 11 PRO CB C 11 32.355 31.958 0.397 1
1 132 . 11 1 1 A 12 12 LEU H H 12 8.102 7.569 0.533 1
1 133 . 11 1 1 A 12 12 LEU HA H 12 4.320 4.059 0.261 1
1 143 . 11 1 1 A 12 12 LEU C C 12 177.341 179.308 -1.967 1
1 144 . 11 1 1 A 12 12 LEU CA C 12 54.883 57.650 -2.767 1
1 145 . 11 1 1 A 12 12 LEU CB C 12 41.300 41.784 -0.484 1
1 149 . 11 1 1 A 12 12 LEU N N 12 117.525 117.782 -0.257 1
1 150 . 11 1 1 A 13 13 HIS H H 13 8.004 8.367 -0.363 1
1 151 . 11 1 1 A 13 13 HIS HA H 13 4.453 4.293 0.160 1
1 154 . 11 1 1 A 13 13 HIS C C 13 175.375 176.429 -1.054 1
1 155 . 11 1 1 A 13 13 HIS CA C 13 56.796 58.804 -2.008 1
1 156 . 11 1 1 A 13 13 HIS CB C 13 28.248 30.306 -2.058 1
1 157 . 11 1 1 A 13 13 HIS N N 13 117.833 118.360 -0.527 1
1 158 . 11 1 1 A 14 14 GLY H H 14 8.530 8.398 0.132 1
1 159 . 11 1 1 A 14 14 GLY HA2 H 14 3.930 3.759 0.171 1
1 160 . 11 1 1 A 14 14 GLY HA3 H 14 3.755 3.851 -0.096 1
1 161 . 11 1 1 A 14 14 GLY C C 14 173.536 173.614 -0.078 1
1 162 . 11 1 1 A 14 14 GLY CA C 14 45.529 47.069 -1.540 1
1 163 . 11 1 1 A 14 14 GLY N N 14 110.385 104.871 5.514 1
1 164 . 11 1 1 A 15 15 ILE H H 15 7.563 7.424 0.139 1
1 165 . 11 1 1 A 15 15 ILE HA H 15 4.392 3.893 0.499 1
1 175 . 11 1 1 A 15 15 ILE C C 15 174.878 176.401 -1.523 1
1 176 . 11 1 1 A 15 15 ILE CA C 15 60.102 61.853 -1.751 1
1 177 . 11 1 1 A 15 15 ILE CB C 15 39.383 37.929 1.454 1
1 181 . 11 1 1 A 15 15 ILE N N 15 120.363 123.561 -3.198 1
1 182 . 11 1 1 A 16 16 THR H H 16 7.643 8.294 -0.651 1
1 183 . 11 1 1 A 16 16 THR HA H 16 4.381 4.374 0.007 1
1 188 . 11 1 1 A 16 16 THR C C 16 174.950 175.521 -0.571 1
1 189 . 11 1 1 A 16 16 THR CA C 16 60.355 61.784 -1.429 1
1 190 . 11 1 1 A 16 16 THR CB C 16 70.834 70.174 0.660 1
1 192 . 11 1 1 A 16 16 THR N N 16 115.980 120.162 -4.182 1
1 193 . 11 1 1 A 17 17 LEU H H 17 8.712 8.700 0.012 1
1 194 . 11 1 1 A 17 17 LEU HA H 17 4.029 3.990 0.039 1
1 204 . 11 1 1 A 17 17 LEU C C 17 178.125 177.915 0.210 1
1 205 . 11 1 1 A 17 17 LEU CA C 17 57.582 58.431 -0.849 1
1 206 . 11 1 1 A 17 17 LEU CB C 17 40.906 41.312 -0.406 1
1 210 . 11 1 1 A 17 17 LEU N N 17 123.337 123.527 -0.190 1
1 211 . 11 1 1 A 18 18 GLN H H 18 8.611 8.264 0.347 1
1 212 . 11 1 1 A 18 18 GLN HA H 18 3.774 4.004 -0.230 1
1 219 . 11 1 1 A 18 18 GLN C C 18 178.211 178.526 -0.315 1
1 220 . 11 1 1 A 18 18 GLN CA C 18 60.388 59.234 1.154 1
1 221 . 11 1 1 A 18 18 GLN CB C 18 27.809 28.849 -1.040 1
1 224 . 11 1 1 A 18 18 GLN N N 18 116.423 118.659 -2.236 1
1 226 . 11 1 1 A 19 19 LYS H H 19 7.861 7.444 0.417 1
1 227 . 11 1 1 A 19 19 LYS HA H 19 3.957 4.154 -0.197 1
1 236 . 11 1 1 A 19 19 LYS C C 19 177.806 178.579 -0.773 1
1 237 . 11 1 1 A 19 19 LYS CA C 19 59.684 59.064 0.620 1
1 238 . 11 1 1 A 19 19 LYS CB C 19 32.300 32.254 0.046 1
1 242 . 11 1 1 A 19 19 LYS N N 19 123.583 120.013 3.570 1
1 243 . 11 1 1 A 20 20 LEU H H 20 8.223 8.263 -0.040 1
1 244 . 11 1 1 A 20 20 LEU HA H 20 3.418 3.647 -0.229 1
1 254 . 11 1 1 A 20 20 LEU C C 20 178.417 178.375 0.042 1
1 255 . 11 1 1 A 20 20 LEU CA C 20 59.301 58.177 1.124 1
1 256 . 11 1 1 A 20 20 LEU CB C 20 41.370 41.441 -0.071 1
1 260 . 11 1 1 A 20 20 LEU N N 20 121.397 120.829 0.568 1
1 261 . 11 1 1 A 21 21 LEU H H 21 8.649 8.308 0.341 1
1 262 . 11 1 1 A 21 21 LEU HA H 21 3.872 3.960 -0.088 1
1 272 . 11 1 1 A 21 21 LEU C C 21 178.009 178.629 -0.620 1
1 273 . 11 1 1 A 21 21 LEU CA C 21 58.027 57.991 0.036 1
1 274 . 11 1 1 A 21 21 LEU CB C 21 42.279 41.559 0.720 1
1 278 . 11 1 1 A 21 21 LEU N N 21 118.999 119.743 -0.744 1
1 279 . 11 1 1 A 22 22 THR H H 22 8.025 8.035 -0.010 1
1 280 . 11 1 1 A 22 22 THR HA H 22 3.592 3.815 -0.223 1
1 285 . 11 1 1 A 22 22 THR C C 22 176.358 175.916 0.442 1
1 286 . 11 1 1 A 22 22 THR CA C 22 67.879 67.226 0.653 1
1 287 . 11 1 1 A 22 22 THR CB C 22 68.717 68.391 0.326 1
1 289 . 11 1 1 A 22 22 THR N N 22 115.015 115.362 -0.347 1
1 290 . 11 1 1 A 23 23 GLU H H 23 8.158 8.462 -0.304 1
1 291 . 11 1 1 A 23 23 GLU HA H 23 4.068 4.027 0.041 1
1 296 . 11 1 1 A 23 23 GLU C C 23 180.091 179.759 0.332 1
1 297 . 11 1 1 A 23 23 GLU CA C 23 59.845 59.318 0.527 1
1 298 . 11 1 1 A 23 23 GLU CB C 23 29.101 29.538 -0.437 1
1 300 . 11 1 1 A 23 23 GLU N N 23 120.691 120.045 0.646 1
1 301 . 11 1 1 A 24 24 LEU H H 24 8.121 7.996 0.125 1
1 302 . 11 1 1 A 24 24 LEU HA H 24 4.140 4.177 -0.037 1
1 312 . 11 1 1 A 24 24 LEU C C 24 179.047 178.907 0.140 1
1 313 . 11 1 1 A 24 24 LEU CA C 24 58.438 58.155 0.283 1
1 314 . 11 1 1 A 24 24 LEU CB C 24 42.715 41.965 0.750 1
1 318 . 11 1 1 A 24 24 LEU N N 24 119.210 120.549 -1.339 1
1 319 . 11 1 1 A 25 25 VAL H H 25 8.577 7.861 0.716 1
1 320 . 11 1 1 A 25 25 VAL HA H 25 2.698 3.120 -0.422 1
1 328 . 11 1 1 A 25 25 VAL C C 25 179.143 177.867 1.276 1
1 329 . 11 1 1 A 25 25 VAL CA C 25 67.077 66.640 0.437 1
1 330 . 11 1 1 A 25 25 VAL CB C 25 31.127 31.121 0.006 1
1 333 . 11 1 1 A 25 25 VAL N N 25 122.036 119.612 2.424 1
1 334 . 11 1 1 A 26 26 GLU H H 26 8.216 7.861 0.355 1
1 335 . 11 1 1 A 26 26 GLU HA H 26 3.858 3.823 0.035 1
1 340 . 11 1 1 A 26 26 GLU C C 26 177.409 179.535 -2.126 1
1 341 . 11 1 1 A 26 26 GLU CA C 26 59.105 59.270 -0.165 1
1 342 . 11 1 1 A 26 26 GLU CB C 26 29.025 29.243 -0.218 1
1 344 . 11 1 1 A 26 26 GLU N N 26 119.262 118.734 0.528 1
1 345 . 11 1 1 A 27 27 HIS H H 27 7.815 7.676 0.139 1
1 346 . 11 1 1 A 27 27 HIS HA H 27 4.183 4.139 0.044 1
1 349 . 11 1 1 A 27 27 HIS C C 27 175.618 176.145 -0.527 1
1 350 . 11 1 1 A 27 27 HIS CA C 27 58.932 59.277 -0.345 1
1 351 . 11 1 1 A 27 27 HIS CB C 27 29.358 30.015 -0.657 1
1 352 . 11 1 1 A 27 27 HIS N N 27 114.100 119.046 -4.946 1
1 353 . 11 1 1 A 28 28 TYR H H 28 8.628 7.809 0.819 1
1 354 . 11 1 1 A 28 28 TYR HA H 28 4.424 4.410 0.014 1
1 361 . 11 1 1 A 28 28 TYR C C 28 177.445 176.581 0.864 1
1 362 . 11 1 1 A 28 28 TYR CA C 28 60.294 59.717 0.577 1
1 363 . 11 1 1 A 28 28 TYR CB C 28 40.851 39.841 1.010 1
1 368 . 11 1 1 A 28 28 TYR N N 28 113.706 114.412 -0.706 1
1 369 . 11 1 1 A 29 29 GLY H H 29 7.713 7.591 0.122 1
1 370 . 11 1 1 A 29 29 GLY HA2 H 29 4.366 3.952 0.414 1
1 371 . 11 1 1 A 29 29 GLY HA3 H 29 3.846 4.075 -0.229 1
1 372 . 11 1 1 A 29 29 GLY C C 29 172.549 175.170 -2.621 1
1 373 . 11 1 1 A 29 29 GLY CA C 29 44.258 44.342 -0.084 1
1 374 . 11 1 1 A 29 29 GLY N N 29 107.840 105.163 2.677 1
1 375 . 11 1 1 A 30 30 TRP H H 30 7.960 8.771 -0.811 1
1 376 . 11 1 1 A 30 30 TRP HA H 30 4.136 4.243 -0.107 1
1 385 . 11 1 1 A 30 30 TRP C C 30 178.090 178.808 -0.718 1
1 386 . 11 1 1 A 30 30 TRP CA C 30 60.502 60.176 0.326 1
1 387 . 11 1 1 A 30 30 TRP CB C 30 30.304 29.041 1.263 1
1 393 . 11 1 1 A 30 30 TRP N N 30 118.175 122.228 -4.053 1
1 395 . 11 1 1 A 31 31 GLU H H 31 8.549 8.643 -0.094 1
1 396 . 11 1 1 A 31 31 GLU HA H 31 3.992 3.958 0.034 1
1 401 . 11 1 1 A 31 31 GLU C C 31 179.942 178.613 1.329 1
1 402 . 11 1 1 A 31 31 GLU CA C 31 60.090 59.867 0.223 1
1 403 . 11 1 1 A 31 31 GLU CB C 31 28.474 29.117 -0.643 1
1 405 . 11 1 1 A 31 31 GLU N N 31 118.099 119.982 -1.883 1
1 406 . 11 1 1 A 32 32 GLU H H 32 8.962 7.790 1.172 1
1 407 . 11 1 1 A 32 32 GLU HA H 32 4.137 4.252 -0.115 1
1 412 . 11 1 1 A 32 32 GLU C C 32 179.651 178.731 0.920 1
1 413 . 11 1 1 A 32 32 GLU CA C 32 58.745 58.968 -0.223 1
1 414 . 11 1 1 A 32 32 GLU CB C 32 28.145 30.052 -1.907 1
1 416 . 11 1 1 A 32 32 GLU N N 32 120.094 118.903 1.191 1
1 417 . 11 1 1 A 33 33 LEU H H 33 7.748 7.773 -0.025 1
1 418 . 11 1 1 A 33 33 LEU HA H 33 3.922 3.980 -0.058 1
1 428 . 11 1 1 A 33 33 LEU C C 33 178.833 178.452 0.381 1
1 429 . 11 1 1 A 33 33 LEU CA C 33 58.577 57.882 0.695 1
1 430 . 11 1 1 A 33 33 LEU CB C 33 41.269 41.414 -0.145 1
1 434 . 11 1 1 A 33 33 LEU N N 33 118.890 122.406 -3.516 1
1 435 . 11 1 1 A 34 34 SER H H 34 8.607 8.554 0.053 1
1 436 . 11 1 1 A 34 34 SER HA H 34 4.642 4.720 -0.078 1
1 439 . 11 1 1 A 34 34 SER C C 34 175.346 176.364 -1.018 1
1 440 . 11 1 1 A 34 34 SER CA C 34 61.247 60.631 0.616 1
1 441 . 11 1 1 A 34 34 SER CB C 34 63.043 62.973 0.070 1
1 442 . 11 1 1 A 34 34 SER N N 34 114.464 113.428 1.036 1
1 443 . 11 1 1 A 35 35 TYR H H 35 7.395 7.876 -0.481 1
1 444 . 11 1 1 A 35 35 TYR HA H 35 4.537 4.321 0.216 1
1 451 . 11 1 1 A 35 35 TYR C C 35 177.940 177.652 0.288 1
1 452 . 11 1 1 A 35 35 TYR CA C 35 58.907 61.059 -2.152 1
1 453 . 11 1 1 A 35 35 TYR CB C 35 37.852 38.973 -1.121 1
1 458 . 11 1 1 A 35 35 TYR N N 35 120.804 122.567 -1.763 1
1 459 . 11 1 1 A 36 36 MET H H 36 7.840 8.572 -0.732 1
1 460 . 11 1 1 A 36 36 MET HA H 36 4.158 4.009 0.149 1
1 468 . 11 1 1 A 36 36 MET C C 36 177.049 177.196 -0.147 1
1 469 . 11 1 1 A 36 36 MET CA C 36 58.684 58.560 0.124 1
1 470 . 11 1 1 A 36 36 MET CB C 36 34.927 32.828 2.099 1
1 473 . 11 1 1 A 36 36 MET N N 36 118.425 117.863 0.562 1
1 474 . 11 1 1 A 37 37 VAL H H 37 8.469 8.175 0.294 1
1 475 . 11 1 1 A 37 37 VAL HA H 37 4.265 4.255 0.010 1
1 483 . 11 1 1 A 37 37 VAL C C 37 173.959 175.045 -1.086 1
1 484 . 11 1 1 A 37 37 VAL CA C 37 61.621 62.104 -0.483 1
1 485 . 11 1 1 A 37 37 VAL CB C 37 32.527 30.455 2.072 1
1 488 . 11 1 1 A 37 37 VAL N N 37 117.997 118.740 -0.743 1
1 489 . 11 1 1 A 38 38 ASN H H 38 8.677 9.129 -0.452 1
1 490 . 11 1 1 A 38 38 ASN HA H 38 4.948 4.797 0.151 1
1 495 . 11 1 1 A 38 38 ASN C C 38 174.710 174.183 0.527 1
1 496 . 11 1 1 A 38 38 ASN CA C 38 53.444 52.490 0.954 1
1 497 . 11 1 1 A 38 38 ASN CB C 38 37.001 36.972 0.029 1
1 499 . 11 1 1 A 38 38 ASN N N 38 123.121 126.647 -3.526 1
1 501 . 11 1 1 A 39 39 ILE H H 39 7.744 7.977 -0.233 1
1 502 . 11 1 1 A 39 39 ILE HA H 39 4.655 4.712 -0.057 1
1 512 . 11 1 1 A 39 39 ILE C C 39 176.996 176.269 0.727 1
1 513 . 11 1 1 A 39 39 ILE CA C 39 59.201 58.502 0.699 1
1 514 . 11 1 1 A 39 39 ILE CB C 39 40.558 40.958 -0.400 1
1 518 . 11 1 1 A 39 39 ILE N N 39 115.722 120.818 -5.096 1
1 519 . 11 1 1 A 40 40 ASN H H 40 8.881 8.961 -0.080 1
1 520 . 11 1 1 A 40 40 ASN HA H 40 4.192 4.296 -0.104 1
1 525 . 11 1 1 A 40 40 ASN C C 40 177.705 176.979 0.726 1
1 526 . 11 1 1 A 40 40 ASN CA C 40 56.883 56.400 0.483 1
1 527 . 11 1 1 A 40 40 ASN CB C 40 38.313 38.049 0.264 1
1 529 . 11 1 1 A 40 40 ASN N N 40 124.600 122.175 2.425 1
1 531 . 11 1 1 A 41 41 CYS H H 41 8.034 7.744 0.290 1
1 532 . 11 1 1 A 41 41 CYS HA H 41 4.373 4.057 0.316 1
1 535 . 11 1 1 A 41 41 CYS C C 41 174.303 177.511 -3.208 1
1 536 . 11 1 1 A 41 41 CYS CA C 41 59.164 62.930 -3.766 1
1 537 . 11 1 1 A 41 41 CYS CB C 41 26.126 26.654 -0.528 1
1 538 . 11 1 1 A 41 41 CYS N N 41 115.097 117.486 -2.389 1
1 539 . 11 1 1 A 42 42 PHE H H 42 7.031 8.222 -1.191 1
1 540 . 11 1 1 A 42 42 PHE HA H 42 4.937 4.278 0.659 1
1 548 . 11 1 1 A 42 42 PHE C C 42 174.437 177.411 -2.974 1
1 549 . 11 1 1 A 42 42 PHE CA C 42 54.439 60.905 -6.466 1
1 550 . 11 1 1 A 42 42 PHE CB C 42 38.059 38.694 -0.635 1
1 556 . 11 1 1 A 42 42 PHE N N 42 117.304 118.488 -1.184 1
1 557 . 11 1 1 A 43 43 LYS H H 43 7.371 7.991 -0.620 1
1 558 . 11 1 1 A 43 43 LYS HA H 43 4.304 4.328 -0.024 1
1 567 . 11 1 1 A 43 43 LYS C C 43 175.800 177.387 -1.587 1
1 568 . 11 1 1 A 43 43 LYS CA C 43 57.474 57.936 -0.462 1
1 569 . 11 1 1 A 43 43 LYS CB C 43 34.978 32.137 2.841 1
1 573 . 11 1 1 A 43 43 LYS N N 43 116.029 118.250 -2.221 1
1 574 . 11 1 1 A 44 44 LYS H H 44 7.593 7.563 0.030 1
1 575 . 11 1 1 A 44 44 LYS HA H 44 4.302 4.453 -0.151 1
1 584 . 11 1 1 A 44 44 LYS C C 44 173.608 175.773 -2.165 1
1 585 . 11 1 1 A 44 44 LYS CA C 44 55.169 56.926 -1.757 1
1 586 . 11 1 1 A 44 44 LYS CB C 44 33.123 34.924 -1.801 1
1 590 . 11 1 1 A 44 44 LYS N N 44 119.851 114.102 5.749 1
1 591 . 11 1 1 A 45 45 ASP H H 45 8.774 8.392 0.382 1
1 592 . 11 1 1 A 45 45 ASP HA H 45 4.200 4.995 -0.795 1
1 595 . 11 1 1 A 45 45 ASP C C 45 172.128 173.445 -1.317 1
1 596 . 11 1 1 A 45 45 ASP CA C 45 53.963 51.227 2.736 1
1 597 . 11 1 1 A 45 45 ASP CB C 45 40.263 41.301 -1.038 1
1 598 . 11 1 1 A 45 45 ASP N N 45 122.276 120.104 2.172 1
1 599 . 11 1 1 A 46 46 PRO HA H 46 3.930 3.426 0.504 1
1 606 . 11 1 1 A 46 46 PRO C C 46 176.968 175.358 1.610 1
1 607 . 11 1 1 A 46 46 PRO CA C 46 62.964 61.605 1.359 1
1 608 . 11 1 1 A 46 46 PRO CB C 46 30.892 28.602 2.290 1
1 611 . 11 1 1 A 47 47 SER H H 47 8.018 8.058 -0.040 1
1 612 . 11 1 1 A 47 47 SER HA H 47 4.676 4.782 -0.106 1
1 615 . 11 1 1 A 47 47 SER C C 47 175.465 173.732 1.733 1
1 616 . 11 1 1 A 47 47 SER CA C 47 57.014 57.621 -0.607 1
1 617 . 11 1 1 A 47 47 SER CB C 47 66.436 67.112 -0.676 1
1 618 . 11 1 1 A 47 47 SER N N 47 112.273 117.520 -5.247 1
1 619 . 11 1 1 A 48 48 ILE H H 48 9.489 9.076 0.413 1
1 620 . 11 1 1 A 48 48 ILE HA H 48 4.013 3.914 0.099 1
1 630 . 11 1 1 A 48 48 ILE C C 48 177.681 178.125 -0.444 1
1 631 . 11 1 1 A 48 48 ILE CA C 48 64.456 65.441 -0.985 1
1 632 . 11 1 1 A 48 48 ILE CB C 48 36.382 38.142 -1.760 1
1 636 . 11 1 1 A 48 48 ILE N N 48 126.826 125.643 1.183 1
1 637 . 11 1 1 A 49 49 LYS H H 49 8.735 8.214 0.521 1
1 638 . 11 1 1 A 49 49 LYS HA H 49 3.984 4.011 -0.027 1
1 647 . 11 1 1 A 49 49 LYS C C 49 179.784 179.046 0.738 1
1 648 . 11 1 1 A 49 49 LYS CA C 49 60.562 59.755 0.807 1
1 649 . 11 1 1 A 49 49 LYS CB C 49 32.533 32.463 0.070 1
1 653 . 11 1 1 A 49 49 LYS N N 49 118.592 121.781 -3.189 1
1 654 . 11 1 1 A 50 50 SER H H 50 8.065 8.231 -0.166 1
1 655 . 11 1 1 A 50 50 SER HA H 50 4.270 4.187 0.083 1
1 658 . 11 1 1 A 50 50 SER C C 50 178.135 176.333 1.802 1
1 659 . 11 1 1 A 50 50 SER CA C 50 61.431 61.922 -0.491 1
1 660 . 11 1 1 A 50 50 SER CB C 50 62.672 62.951 -0.279 1
1 661 . 11 1 1 A 50 50 SER N N 50 114.354 117.288 -2.934 1
1 662 . 11 1 1 A 51 51 SER H H 51 8.300 7.936 0.364 1
1 663 . 11 1 1 A 51 51 SER HA H 51 4.681 4.425 0.256 1
1 666 . 11 1 1 A 51 51 SER C C 51 176.245 177.517 -1.272 1
1 667 . 11 1 1 A 51 51 SER CA C 51 63.327 61.571 1.756 1
1 668 . 11 1 1 A 51 51 SER CB C 51 64.340 63.069 1.271 1
1 669 . 11 1 1 A 51 51 SER N N 51 120.855 117.009 3.846 1
1 670 . 11 1 1 A 52 52 LEU H H 52 8.849 8.730 0.119 1
1 671 . 11 1 1 A 52 52 LEU HA H 52 3.902 3.999 -0.097 1
1 681 . 11 1 1 A 52 52 LEU C C 52 178.339 179.241 -0.902 1
1 682 . 11 1 1 A 52 52 LEU CA C 52 58.600 58.178 0.422 1
1 683 . 11 1 1 A 52 52 LEU CB C 52 41.685 41.658 0.027 1
1 687 . 11 1 1 A 52 52 LEU N N 52 122.627 121.897 0.730 1
1 688 . 11 1 1 A 53 53 LYS H H 53 7.268 8.096 -0.828 1
1 689 . 11 1 1 A 53 53 LYS HA H 53 3.957 4.033 -0.076 1
1 698 . 11 1 1 A 53 53 LYS C C 53 178.750 178.621 0.129 1
1 699 . 11 1 1 A 53 53 LYS CA C 53 59.867 59.132 0.735 1
1 700 . 11 1 1 A 53 53 LYS CB C 53 32.475 32.102 0.373 1
1 704 . 11 1 1 A 53 53 LYS N N 53 117.100 120.327 -3.227 1
1 705 . 11 1 1 A 54 54 PHE H H 54 7.388 8.443 -1.055 1
1 706 . 11 1 1 A 54 54 PHE HA H 54 4.167 4.191 -0.024 1
1 714 . 11 1 1 A 54 54 PHE C C 54 178.975 177.266 1.709 1
1 715 . 11 1 1 A 54 54 PHE CA C 54 61.515 60.886 0.629 1
1 716 . 11 1 1 A 54 54 PHE CB C 54 39.619 39.353 0.266 1
1 722 . 11 1 1 A 54 54 PHE N N 54 117.704 120.765 -3.061 1
1 723 . 11 1 1 A 55 55 LEU H H 55 9.142 8.674 0.468 1
1 724 . 11 1 1 A 55 55 LEU HA H 55 3.720 3.776 -0.056 1
1 734 . 11 1 1 A 55 55 LEU C C 55 178.763 179.773 -1.010 1
1 735 . 11 1 1 A 55 55 LEU CA C 55 57.656 57.585 0.071 1
1 736 . 11 1 1 A 55 55 LEU CB C 55 42.837 41.250 1.587 1
1 740 . 11 1 1 A 55 55 LEU N N 55 120.396 118.872 1.524 1
1 741 . 11 1 1 A 56 56 ARG H H 56 8.338 8.762 -0.424 1
1 742 . 11 1 1 A 56 56 ARG HA H 56 3.855 3.988 -0.133 1
1 750 . 11 1 1 A 56 56 ARG C C 56 176.697 177.301 -0.604 1
1 751 . 11 1 1 A 56 56 ARG CA C 56 59.452 58.599 0.853 1
1 752 . 11 1 1 A 56 56 ARG CB C 56 30.239 30.012 0.227 1
1 755 . 11 1 1 A 56 56 ARG N N 56 116.866 117.999 -1.133 1
1 757 . 11 1 1 A 57 57 LYS H H 57 6.770 7.795 -1.025 1
1 758 . 11 1 1 A 57 57 LYS HA H 57 4.542 4.339 0.203 1
1 767 . 11 1 1 A 57 57 LYS C C 57 176.148 176.023 0.125 1
1 768 . 11 1 1 A 57 57 LYS CA C 57 55.545 56.988 -1.443 1
1 769 . 11 1 1 A 57 57 LYS CB C 57 33.805 33.255 0.550 1
1 773 . 11 1 1 A 57 57 LYS N N 57 113.205 115.923 -2.718 1
1 774 . 11 1 1 A 58 58 THR H H 58 6.908 7.443 -0.535 1
1 775 . 11 1 1 A 58 58 THR HA H 58 4.212 4.274 -0.062 1
1 780 . 11 1 1 A 58 58 THR C C 58 173.643 173.893 -0.250 1
1 781 . 11 1 1 A 58 58 THR CA C 58 60.688 61.781 -1.093 1
1 782 . 11 1 1 A 58 58 THR CB C 58 67.557 68.292 -0.735 1
1 784 . 11 1 1 A 58 58 THR N N 58 117.915 114.199 3.716 1
1 785 . 11 1 1 A 59 59 ASP H H 59 8.789 8.786 0.003 1
1 786 . 11 1 1 A 59 59 ASP HA H 59 4.128 4.234 -0.106 1
1 789 . 11 1 1 A 59 59 ASP C C 59 178.565 178.726 -0.161 1
1 790 . 11 1 1 A 59 59 ASP CA C 59 58.506 57.698 0.808 1
1 791 . 11 1 1 A 59 59 ASP CB C 59 39.530 40.437 -0.907 1
1 792 . 11 1 1 A 59 59 ASP N N 59 128.511 126.470 2.041 1
1 793 . 11 1 1 A 60 60 TRP H H 60 8.638 8.601 0.037 1
1 794 . 11 1 1 A 60 60 TRP HA H 60 4.375 4.422 -0.047 1
1 803 . 11 1 1 A 60 60 TRP C C 60 178.277 178.810 -0.533 1
1 804 . 11 1 1 A 60 60 TRP CA C 60 59.183 60.364 -1.181 1
1 805 . 11 1 1 A 60 60 TRP CB C 60 26.962 28.065 -1.103 1
1 811 . 11 1 1 A 60 60 TRP N N 60 117.515 119.124 -1.609 1
1 813 . 11 1 1 A 61 61 ALA H H 61 5.533 7.257 -1.724 1
1 814 . 11 1 1 A 61 61 ALA HA H 61 3.414 3.491 -0.077 1
1 818 . 11 1 1 A 61 61 ALA C C 61 177.616 179.372 -1.756 1
1 819 . 11 1 1 A 61 61 ALA CA C 61 54.478 54.879 -0.401 1
1 820 . 11 1 1 A 61 61 ALA CB C 61 17.904 17.518 0.386 1
1 821 . 11 1 1 A 61 61 ALA N N 61 125.465 123.605 1.860 1
1 822 . 11 1 1 A 62 62 ARG H H 62 7.811 7.465 0.346 1
1 823 . 11 1 1 A 62 62 ARG HA H 62 3.617 3.933 -0.316 1
1 831 . 11 1 1 A 62 62 ARG C C 62 177.918 179.082 -1.164 1
1 832 . 11 1 1 A 62 62 ARG CA C 62 60.708 59.420 1.288 1
1 833 . 11 1 1 A 62 62 ARG CB C 62 29.156 29.855 -0.699 1
1 836 . 11 1 1 A 62 62 ARG N N 62 120.420 118.454 1.966 1
1 838 . 11 1 1 A 63 63 GLU H H 63 8.412 8.432 -0.020 1
1 839 . 11 1 1 A 63 63 GLU HA H 63 4.041 4.058 -0.017 1
1 844 . 11 1 1 A 63 63 GLU C C 63 178.935 179.064 -0.129 1
1 845 . 11 1 1 A 63 63 GLU CA C 63 59.509 59.285 0.224 1
1 846 . 11 1 1 A 63 63 GLU CB C 63 28.759 29.336 -0.577 1
1 848 . 11 1 1 A 63 63 GLU N N 63 117.144 117.720 -0.576 1
1 849 . 11 1 1 A 64 64 ARG H H 64 7.603 8.048 -0.445 1
1 850 . 11 1 1 A 64 64 ARG HA H 64 4.256 4.125 0.131 1
1 858 . 11 1 1 A 64 64 ARG C C 64 179.133 178.848 0.285 1
1 859 . 11 1 1 A 64 64 ARG CA C 64 59.340 59.295 0.045 1
1 860 . 11 1 1 A 64 64 ARG CB C 64 30.067 30.145 -0.078 1
1 863 . 11 1 1 A 64 64 ARG N N 64 118.298 120.036 -1.738 1
1 865 . 11 1 1 A 65 65 VAL H H 65 8.065 8.162 -0.097 1
1 866 . 11 1 1 A 65 65 VAL HA H 65 3.713 3.621 0.092 1
1 874 . 11 1 1 A 65 65 VAL C C 65 177.638 177.841 -0.203 1
1 875 . 11 1 1 A 65 65 VAL CA C 65 66.891 66.993 -0.102 1
1 876 . 11 1 1 A 65 65 VAL CB C 65 31.480 31.614 -0.134 1
1 879 . 11 1 1 A 65 65 VAL N N 65 117.270 120.383 -3.113 1
1 880 . 11 1 1 A 66 66 GLU H H 66 8.583 8.663 -0.080 1
1 881 . 11 1 1 A 66 66 GLU HA H 66 3.912 3.952 -0.040 1
1 886 . 11 1 1 A 66 66 GLU C C 66 178.380 179.057 -0.677 1
1 887 . 11 1 1 A 66 66 GLU CA C 66 60.256 60.360 -0.104 1
1 888 . 11 1 1 A 66 66 GLU CB C 66 28.691 29.346 -0.655 1
1 890 . 11 1 1 A 66 66 GLU N N 66 119.924 118.654 1.270 1
1 891 . 11 1 1 A 67 67 ASN H H 67 8.267 8.568 -0.301 1
1 892 . 11 1 1 A 67 67 ASN HA H 67 4.567 4.506 0.061 1
1 897 . 11 1 1 A 67 67 ASN C C 67 178.338 177.975 0.363 1
1 898 . 11 1 1 A 67 67 ASN CA C 67 56.900 56.852 0.048 1
1 899 . 11 1 1 A 67 67 ASN CB C 67 38.802 39.967 -1.165 1
1 901 . 11 1 1 A 67 67 ASN N N 67 117.574 118.110 -0.536 1
1 903 . 11 1 1 A 68 68 ILE H H 68 8.132 7.891 0.241 1
1 904 . 11 1 1 A 68 68 ILE HA H 68 3.726 3.730 -0.004 1
1 914 . 11 1 1 A 68 68 ILE C C 68 178.722 178.220 0.502 1
1 915 . 11 1 1 A 68 68 ILE CA C 68 65.388 65.434 -0.046 1
1 916 . 11 1 1 A 68 68 ILE CB C 68 37.841 37.461 0.380 1
1 920 . 11 1 1 A 68 68 ILE N N 68 121.125 119.572 1.553 1
1 921 . 11 1 1 A 69 69 TYR H H 69 8.146 8.344 -0.198 1
1 922 . 11 1 1 A 69 69 TYR HA H 69 4.058 4.226 -0.168 1
1 929 . 11 1 1 A 69 69 TYR C C 69 177.061 177.414 -0.353 1
1 930 . 11 1 1 A 69 69 TYR CA C 69 62.828 61.548 1.280 1
1 931 . 11 1 1 A 69 69 TYR CB C 69 38.747 38.762 -0.015 1
1 936 . 11 1 1 A 69 69 TYR N N 69 121.378 122.032 -0.654 1
1 937 . 11 1 1 A 70 70 LEU H H 70 8.630 8.355 0.275 1
1 938 . 11 1 1 A 70 70 LEU HA H 70 3.875 3.902 -0.027 1
1 948 . 11 1 1 A 70 70 LEU C C 70 179.755 179.353 0.402 1
1 949 . 11 1 1 A 70 70 LEU CA C 70 58.230 57.989 0.241 1
1 950 . 11 1 1 A 70 70 LEU CB C 70 41.733 41.317 0.416 1
1 954 . 11 1 1 A 70 70 LEU N N 70 120.179 119.659 0.520 1
1 955 . 11 1 1 A 71 71 LYS H H 71 7.950 8.472 -0.522 1
1 956 . 11 1 1 A 71 71 LYS HA H 71 3.957 4.029 -0.072 1
1 965 . 11 1 1 A 71 71 LYS C C 71 178.961 179.146 -0.185 1
1 966 . 11 1 1 A 71 71 LYS CA C 71 59.684 59.990 -0.306 1
1 967 . 11 1 1 A 71 71 LYS CB C 71 32.421 32.148 0.273 1
1 971 . 11 1 1 A 71 71 LYS N N 71 118.820 118.430 0.390 1
1 972 . 11 1 1 A 72 72 LEU H H 72 7.731 8.299 -0.568 1
1 973 . 11 1 1 A 72 72 LEU HA H 72 4.037 4.185 -0.148 1
1 983 . 11 1 1 A 72 72 LEU C C 72 178.533 178.374 0.159 1
1 984 . 11 1 1 A 72 72 LEU CA C 72 57.352 58.345 -0.993 1
1 985 . 11 1 1 A 72 72 LEU CB C 72 41.406 41.529 -0.123 1
1 989 . 11 1 1 A 72 72 LEU N N 72 121.367 121.447 -0.080 1
1 990 . 11 1 1 A 73 73 GLN H H 73 7.884 7.745 0.139 1
1 991 . 11 1 1 A 73 73 GLN HA H 73 3.852 3.978 -0.126 1
1 998 . 11 1 1 A 73 73 GLN C C 73 177.679 178.965 -1.286 1
1 999 . 11 1 1 A 73 73 GLN CA C 73 57.026 58.965 -1.939 1
1 1000 . 11 1 1 A 73 73 GLN CB C 73 28.148 28.346 -0.198 1
1 1003 . 11 1 1 A 73 73 GLN N N 73 116.639 117.682 -1.043 1
1 1005 . 11 1 1 A 74 74 ARG H H 74 7.725 7.792 -0.067 1
1 1006 . 11 1 1 A 74 74 ARG HA H 74 4.136 4.051 0.085 1
1 1013 . 11 1 1 A 74 74 ARG C C 74 177.235 178.987 -1.752 1
1 1014 . 11 1 1 A 74 74 ARG CA C 74 57.452 59.201 -1.749 1
1 1015 . 11 1 1 A 74 74 ARG CB C 74 30.308 30.243 0.065 1
1 1018 . 11 1 1 A 74 74 ARG N N 74 118.122 120.300 -2.178 1
1 1019 . 11 1 1 A 75 75 HIS H H 75 7.982 8.026 -0.044 1
1 1020 . 11 1 1 A 75 75 HIS HA H 75 4.564 4.246 0.318 1
1 1023 . 11 1 1 A 75 75 HIS C C 75 175.202 175.579 -0.377 1
1 1024 . 11 1 1 A 75 75 HIS CA C 75 56.587 58.080 -1.493 1
1 1025 . 11 1 1 A 75 75 HIS CB C 75 28.477 30.718 -2.241 1
1 1026 . 11 1 1 A 75 75 HIS N N 75 117.995 120.063 -2.068 1
1 1027 . 11 1 1 A 76 76 LYS H H 76 8.180 7.474 0.706 1
1 1028 . 11 1 1 A 76 76 LYS HA H 76 4.148 4.095 0.053 1
1 1037 . 11 1 1 A 76 76 LYS C C 76 177.303 176.130 1.173 1
1 1038 . 11 1 1 A 76 76 LYS CA C 76 57.550 56.117 1.433 1
1 1039 . 11 1 1 A 76 76 LYS CB C 76 32.789 32.981 -0.192 1
1 1043 . 11 1 1 A 76 76 LYS N N 76 121.510 120.083 1.427 1
1 1044 . 11 1 1 A 77 77 GLU H H 77 8.321 8.482 -0.161 1
1 1045 . 11 1 1 A 77 77 GLU HA H 77 4.224 4.085 0.139 1
1 1050 . 11 1 1 A 77 77 GLU C C 77 177.067 176.009 1.058 1
1 1051 . 11 1 1 A 77 77 GLU CA C 77 56.991 56.340 0.651 1
1 1052 . 11 1 1 A 77 77 GLU CB C 77 29.841 29.722 0.119 1
1 1054 . 11 1 1 A 77 77 GLU N N 77 120.860 124.964 -4.104 1
1 1055 . 11 1 1 A 78 78 ARG H H 78 8.228 8.398 -0.170 1
1 1056 . 11 1 1 A 78 78 ARG HA H 78 4.240 4.526 -0.286 1
1 1063 . 11 1 1 A 78 78 ARG C C 78 176.577 176.113 0.464 1
1 1064 . 11 1 1 A 78 78 ARG CA C 78 56.786 55.989 0.797 1
1 1065 . 11 1 1 A 78 78 ARG CB C 78 30.413 30.969 -0.556 1
1 1068 . 11 1 1 A 78 78 ARG N N 78 121.081 122.137 -1.056 1
1 1069 . 11 1 1 A 79 79 ASN H H 79 8.333 8.672 -0.339 1
1 1070 . 11 1 1 A 79 79 ASN HA H 79 4.617 5.056 -0.439 1
1 1075 . 11 1 1 A 79 79 ASN C C 79 175.605 174.450 1.155 1
1 1076 . 11 1 1 A 79 79 ASN CA C 79 53.938 53.111 0.827 1
1 1077 . 11 1 1 A 79 79 ASN CB C 79 38.748 40.271 -1.523 1
1 1079 . 11 1 1 A 79 79 ASN N N 79 118.880 121.323 -2.443 1
1 1081 . 11 1 1 A 80 80 GLN H H 80 8.285 8.700 -0.415 1
1 1082 . 11 1 1 A 80 80 GLN HA H 80 4.253 4.983 -0.730 1
1 1089 . 11 1 1 A 80 80 GLN C C 80 176.304 174.732 1.572 1
1 1090 . 11 1 1 A 80 80 GLN CA C 80 56.545 53.931 2.614 1
1 1091 . 11 1 1 A 80 80 GLN CB C 80 29.274 32.210 -2.936 1
1 1094 . 11 1 1 A 80 80 GLN N N 80 120.222 121.074 -0.852 1
1 1096 . 11 1 1 A 81 81 LEU H H 81 8.130 8.630 -0.500 1
1 1097 . 11 1 1 A 81 81 LEU HA H 81 4.222 4.278 -0.056 1
1 1107 . 11 1 1 A 81 81 LEU C C 81 177.542 176.577 0.965 1
1 1108 . 11 1 1 A 81 81 LEU CA C 81 55.736 55.476 0.260 1
1 1109 . 11 1 1 A 81 81 LEU CB C 81 42.196 42.105 0.091 1
1 1113 . 11 1 1 A 81 81 LEU N N 81 122.119 125.558 -3.439 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.081 5.201 -1.120 1
1 5 . 12 1 1 A 2 2 ALA C C 2 173.423 175.976 -2.553 1
1 6 . 12 1 1 A 2 2 ALA CA C 2 51.798 49.926 1.872 1
1 7 . 12 1 1 A 2 2 ALA CB C 2 19.502 22.540 -3.038 1
1 8 . 12 1 1 A 3 3 LEU H H 3 8.547 8.568 -0.021 1
1 9 . 12 1 1 A 3 3 LEU HA H 3 4.394 4.925 -0.531 1
1 19 . 12 1 1 A 3 3 LEU C C 3 176.779 176.814 -0.035 1
1 20 . 12 1 1 A 3 3 LEU CA C 3 55.226 53.476 1.750 1
1 21 . 12 1 1 A 3 3 LEU CB C 3 42.472 43.880 -1.408 1
1 25 . 12 1 1 A 3 3 LEU N N 3 122.089 119.883 2.206 1
1 26 . 12 1 1 A 4 4 ILE H H 4 8.319 8.668 -0.349 1
1 27 . 12 1 1 A 4 4 ILE HA H 4 4.167 4.285 -0.118 1
1 37 . 12 1 1 A 4 4 ILE C C 4 176.138 174.852 1.286 1
1 38 . 12 1 1 A 4 4 ILE CA C 4 60.894 61.313 -0.419 1
1 39 . 12 1 1 A 4 4 ILE CB C 4 38.595 36.617 1.978 1
1 43 . 12 1 1 A 4 4 ILE N N 4 123.468 123.222 0.246 1
1 44 . 12 1 1 A 5 5 MET H H 5 8.574 8.481 0.093 1
1 45 . 12 1 1 A 5 5 MET HA H 5 4.584 4.692 -0.108 1
1 50 . 12 1 1 A 5 5 MET C C 5 176.274 175.954 0.320 1
1 51 . 12 1 1 A 5 5 MET CA C 5 55.348 54.856 0.492 1
1 52 . 12 1 1 A 5 5 MET CB C 5 32.961 32.621 0.340 1
1 54 . 12 1 1 A 5 5 MET N N 5 125.527 127.246 -1.719 1
1 55 . 12 1 1 A 6 6 THR H H 6 8.172 8.634 -0.462 1
1 56 . 12 1 1 A 6 6 THR HA H 6 4.331 4.674 -0.343 1
1 61 . 12 1 1 A 6 6 THR C C 6 174.578 175.002 -0.424 1
1 62 . 12 1 1 A 6 6 THR CA C 6 61.849 61.334 0.515 1
1 63 . 12 1 1 A 6 6 THR CB C 6 69.904 68.012 1.892 1
1 65 . 12 1 1 A 6 6 THR N N 6 115.487 117.955 -2.468 1
1 66 . 12 1 1 A 7 7 GLN H H 7 8.461 8.234 0.227 1
1 67 . 12 1 1 A 7 7 GLN HA H 7 4.317 4.518 -0.201 1
1 74 . 12 1 1 A 7 7 GLN C C 7 176.108 175.864 0.244 1
1 75 . 12 1 1 A 7 7 GLN CA C 7 56.149 55.216 0.933 1
1 76 . 12 1 1 A 7 7 GLN CB C 7 29.491 29.115 0.376 1
1 79 . 12 1 1 A 7 7 GLN N N 7 122.199 121.516 0.683 1
1 81 . 12 1 1 A 8 8 GLN H H 8 8.418 7.517 0.901 1
1 82 . 12 1 1 A 8 8 GLN HA H 8 4.219 4.696 -0.477 1
1 89 . 12 1 1 A 8 8 GLN C C 8 175.704 175.321 0.383 1
1 90 . 12 1 1 A 8 8 GLN CA C 8 56.112 55.151 0.961 1
1 91 . 12 1 1 A 8 8 GLN CB C 8 29.435 30.351 -0.916 1
1 94 . 12 1 1 A 8 8 GLN N N 8 121.100 117.917 3.183 1
1 96 . 12 1 1 A 9 9 ASN H H 9 8.404 8.710 -0.306 1
1 97 . 12 1 1 A 9 9 ASN HA H 9 4.654 5.293 -0.639 1
1 102 . 12 1 1 A 9 9 ASN C C 9 174.445 174.360 0.085 1
1 103 . 12 1 1 A 9 9 ASN CA C 9 53.190 52.327 0.863 1
1 104 . 12 1 1 A 9 9 ASN CB C 9 38.913 40.248 -1.335 1
1 106 . 12 1 1 A 9 9 ASN N N 9 119.104 119.941 -0.837 1
1 108 . 12 1 1 A 10 10 ASN H H 10 8.306 8.601 -0.295 1
1 109 . 12 1 1 A 10 10 ASN HA H 10 4.964 5.256 -0.292 1
1 114 . 12 1 1 A 10 10 ASN C C 10 174.315 174.362 -0.047 1
1 115 . 12 1 1 A 10 10 ASN CA C 10 51.318 50.273 1.045 1
1 116 . 12 1 1 A 10 10 ASN CB C 10 38.992 39.445 -0.453 1
1 118 . 12 1 1 A 10 10 ASN N N 10 119.847 121.077 -1.230 1
1 120 . 12 1 1 A 11 11 PRO HA H 11 4.427 4.576 -0.149 1
1 127 . 12 1 1 A 11 11 PRO C C 11 177.095 177.070 0.025 1
1 128 . 12 1 1 A 11 11 PRO CA C 11 64.214 63.901 0.313 1
1 129 . 12 1 1 A 11 11 PRO CB C 11 32.355 32.527 -0.172 1
1 132 . 12 1 1 A 12 12 LEU H H 12 8.102 7.957 0.145 1
1 133 . 12 1 1 A 12 12 LEU HA H 12 4.320 4.703 -0.383 1
1 143 . 12 1 1 A 12 12 LEU C C 12 177.341 177.686 -0.345 1
1 144 . 12 1 1 A 12 12 LEU CA C 12 54.883 53.926 0.957 1
1 145 . 12 1 1 A 12 12 LEU CB C 12 41.300 41.961 -0.661 1
1 149 . 12 1 1 A 12 12 LEU N N 12 117.525 117.708 -0.183 1
1 150 . 12 1 1 A 13 13 HIS H H 13 8.004 7.819 0.185 1
1 151 . 12 1 1 A 13 13 HIS HA H 13 4.453 4.387 0.066 1
1 154 . 12 1 1 A 13 13 HIS C C 13 175.375 175.652 -0.277 1
1 155 . 12 1 1 A 13 13 HIS CA C 13 56.796 57.893 -1.097 1
1 156 . 12 1 1 A 13 13 HIS CB C 13 28.248 30.508 -2.260 1
1 157 . 12 1 1 A 13 13 HIS N N 13 117.833 118.841 -1.008 1
1 158 . 12 1 1 A 14 14 GLY H H 14 8.530 8.108 0.422 1
1 159 . 12 1 1 A 14 14 GLY HA2 H 14 3.930 3.840 0.090 1
1 160 . 12 1 1 A 14 14 GLY HA3 H 14 3.755 3.846 -0.091 1
1 161 . 12 1 1 A 14 14 GLY C C 14 173.536 173.382 0.154 1
1 162 . 12 1 1 A 14 14 GLY CA C 14 45.529 46.853 -1.324 1
1 163 . 12 1 1 A 14 14 GLY N N 14 110.385 105.694 4.691 1
1 164 . 12 1 1 A 15 15 ILE H H 15 7.563 8.195 -0.632 1
1 165 . 12 1 1 A 15 15 ILE HA H 15 4.392 3.885 0.507 1
1 175 . 12 1 1 A 15 15 ILE C C 15 174.878 176.737 -1.859 1
1 176 . 12 1 1 A 15 15 ILE CA C 15 60.102 61.554 -1.452 1
1 177 . 12 1 1 A 15 15 ILE CB C 15 39.383 37.748 1.635 1
1 181 . 12 1 1 A 15 15 ILE N N 15 120.363 125.099 -4.736 1
1 182 . 12 1 1 A 16 16 THR H H 16 7.643 8.243 -0.600 1
1 183 . 12 1 1 A 16 16 THR HA H 16 4.381 4.567 -0.186 1
1 188 . 12 1 1 A 16 16 THR C C 16 174.950 175.552 -0.602 1
1 189 . 12 1 1 A 16 16 THR CA C 16 60.355 60.779 -0.424 1
1 190 . 12 1 1 A 16 16 THR CB C 16 70.834 71.093 -0.259 1
1 192 . 12 1 1 A 16 16 THR N N 16 115.980 119.264 -3.284 1
1 193 . 12 1 1 A 17 17 LEU H H 17 8.712 8.813 -0.101 1
1 194 . 12 1 1 A 17 17 LEU HA H 17 4.029 4.044 -0.015 1
1 204 . 12 1 1 A 17 17 LEU C C 17 178.125 178.171 -0.046 1
1 205 . 12 1 1 A 17 17 LEU CA C 17 57.582 58.622 -1.040 1
1 206 . 12 1 1 A 17 17 LEU CB C 17 40.906 41.088 -0.182 1
1 210 . 12 1 1 A 17 17 LEU N N 17 123.337 123.516 -0.179 1
1 211 . 12 1 1 A 18 18 GLN H H 18 8.611 8.175 0.436 1
1 212 . 12 1 1 A 18 18 GLN HA H 18 3.774 3.956 -0.182 1
1 219 . 12 1 1 A 18 18 GLN C C 18 178.211 178.474 -0.263 1
1 220 . 12 1 1 A 18 18 GLN CA C 18 60.388 59.381 1.007 1
1 221 . 12 1 1 A 18 18 GLN CB C 18 27.809 28.726 -0.917 1
1 224 . 12 1 1 A 18 18 GLN N N 18 116.423 118.240 -1.817 1
1 226 . 12 1 1 A 19 19 LYS H H 19 7.861 7.827 0.034 1
1 227 . 12 1 1 A 19 19 LYS HA H 19 3.957 4.133 -0.176 1
1 236 . 12 1 1 A 19 19 LYS C C 19 177.806 178.667 -0.861 1
1 237 . 12 1 1 A 19 19 LYS CA C 19 59.684 58.746 0.938 1
1 238 . 12 1 1 A 19 19 LYS CB C 19 32.300 31.899 0.401 1
1 242 . 12 1 1 A 19 19 LYS N N 19 123.583 120.127 3.456 1
1 243 . 12 1 1 A 20 20 LEU H H 20 8.223 8.144 0.079 1
1 244 . 12 1 1 A 20 20 LEU HA H 20 3.418 3.565 -0.147 1
1 254 . 12 1 1 A 20 20 LEU C C 20 178.417 177.975 0.442 1
1 255 . 12 1 1 A 20 20 LEU CA C 20 59.301 57.793 1.508 1
1 256 . 12 1 1 A 20 20 LEU CB C 20 41.370 41.508 -0.138 1
1 260 . 12 1 1 A 20 20 LEU N N 20 121.397 120.839 0.558 1
1 261 . 12 1 1 A 21 21 LEU H H 21 8.649 8.253 0.396 1
1 262 . 12 1 1 A 21 21 LEU HA H 21 3.872 3.870 0.002 1
1 272 . 12 1 1 A 21 21 LEU C C 21 178.009 178.520 -0.511 1
1 273 . 12 1 1 A 21 21 LEU CA C 21 58.027 58.114 -0.087 1
1 274 . 12 1 1 A 21 21 LEU CB C 21 42.279 41.487 0.792 1
1 278 . 12 1 1 A 21 21 LEU N N 21 118.999 119.789 -0.790 1
1 279 . 12 1 1 A 22 22 THR H H 22 8.025 7.848 0.177 1
1 280 . 12 1 1 A 22 22 THR HA H 22 3.592 3.720 -0.128 1
1 285 . 12 1 1 A 22 22 THR C C 22 176.358 176.474 -0.116 1
1 286 . 12 1 1 A 22 22 THR CA C 22 67.879 66.948 0.931 1
1 287 . 12 1 1 A 22 22 THR CB C 22 68.717 68.494 0.223 1
1 289 . 12 1 1 A 22 22 THR N N 22 115.015 114.683 0.332 1
1 290 . 12 1 1 A 23 23 GLU H H 23 8.158 8.621 -0.463 1
1 291 . 12 1 1 A 23 23 GLU HA H 23 4.068 3.932 0.136 1
1 296 . 12 1 1 A 23 23 GLU C C 23 180.091 179.444 0.647 1
1 297 . 12 1 1 A 23 23 GLU CA C 23 59.845 59.458 0.387 1
1 298 . 12 1 1 A 23 23 GLU CB C 23 29.101 29.302 -0.201 1
1 300 . 12 1 1 A 23 23 GLU N N 23 120.691 119.454 1.237 1
1 301 . 12 1 1 A 24 24 LEU H H 24 8.121 7.987 0.134 1
1 302 . 12 1 1 A 24 24 LEU HA H 24 4.140 4.276 -0.136 1
1 312 . 12 1 1 A 24 24 LEU C C 24 179.047 179.210 -0.163 1
1 313 . 12 1 1 A 24 24 LEU CA C 24 58.438 58.226 0.212 1
1 314 . 12 1 1 A 24 24 LEU CB C 24 42.715 41.762 0.953 1
1 318 . 12 1 1 A 24 24 LEU N N 24 119.210 120.123 -0.913 1
1 319 . 12 1 1 A 25 25 VAL H H 25 8.577 8.009 0.568 1
1 320 . 12 1 1 A 25 25 VAL HA H 25 2.698 3.236 -0.538 1
1 328 . 12 1 1 A 25 25 VAL C C 25 179.143 177.945 1.198 1
1 329 . 12 1 1 A 25 25 VAL CA C 25 67.077 66.560 0.517 1
1 330 . 12 1 1 A 25 25 VAL CB C 25 31.127 31.002 0.125 1
1 333 . 12 1 1 A 25 25 VAL N N 25 122.036 120.101 1.935 1
1 334 . 12 1 1 A 26 26 GLU H H 26 8.216 8.368 -0.152 1
1 335 . 12 1 1 A 26 26 GLU HA H 26 3.858 3.843 0.015 1
1 340 . 12 1 1 A 26 26 GLU C C 26 177.409 178.089 -0.680 1
1 341 . 12 1 1 A 26 26 GLU CA C 26 59.105 59.267 -0.162 1
1 342 . 12 1 1 A 26 26 GLU CB C 26 29.025 29.057 -0.032 1
1 344 . 12 1 1 A 26 26 GLU N N 26 119.262 118.744 0.518 1
1 345 . 12 1 1 A 27 27 HIS H H 27 7.815 7.670 0.145 1
1 346 . 12 1 1 A 27 27 HIS HA H 27 4.183 4.357 -0.174 1
1 349 . 12 1 1 A 27 27 HIS C C 27 175.618 176.134 -0.516 1
1 350 . 12 1 1 A 27 27 HIS CA C 27 58.932 58.908 0.024 1
1 351 . 12 1 1 A 27 27 HIS CB C 27 29.358 30.904 -1.546 1
1 352 . 12 1 1 A 27 27 HIS N N 27 114.100 118.317 -4.217 1
1 353 . 12 1 1 A 28 28 TYR H H 28 8.628 8.163 0.465 1
1 354 . 12 1 1 A 28 28 TYR HA H 28 4.424 4.335 0.089 1
1 361 . 12 1 1 A 28 28 TYR C C 28 177.445 176.319 1.126 1
1 362 . 12 1 1 A 28 28 TYR CA C 28 60.294 60.349 -0.055 1
1 363 . 12 1 1 A 28 28 TYR CB C 28 40.851 39.139 1.712 1
1 368 . 12 1 1 A 28 28 TYR N N 28 113.706 115.243 -1.537 1
1 369 . 12 1 1 A 29 29 GLY H H 29 7.713 7.577 0.136 1
1 370 . 12 1 1 A 29 29 GLY HA2 H 29 4.366 4.013 0.353 1
1 371 . 12 1 1 A 29 29 GLY HA3 H 29 3.846 4.135 -0.289 1
1 372 . 12 1 1 A 29 29 GLY C C 29 172.549 174.997 -2.448 1
1 373 . 12 1 1 A 29 29 GLY CA C 29 44.258 44.385 -0.127 1
1 374 . 12 1 1 A 29 29 GLY N N 29 107.840 104.241 3.599 1
1 375 . 12 1 1 A 30 30 TRP H H 30 7.960 8.912 -0.952 1
1 376 . 12 1 1 A 30 30 TRP HA H 30 4.136 4.118 0.018 1
1 385 . 12 1 1 A 30 30 TRP C C 30 178.090 178.859 -0.769 1
1 386 . 12 1 1 A 30 30 TRP CA C 30 60.502 59.439 1.063 1
1 387 . 12 1 1 A 30 30 TRP CB C 30 30.304 28.820 1.484 1
1 393 . 12 1 1 A 30 30 TRP N N 30 118.175 122.206 -4.031 1
1 395 . 12 1 1 A 31 31 GLU H H 31 8.549 8.479 0.070 1
1 396 . 12 1 1 A 31 31 GLU HA H 31 3.992 3.951 0.041 1
1 401 . 12 1 1 A 31 31 GLU C C 31 179.942 179.207 0.735 1
1 402 . 12 1 1 A 31 31 GLU CA C 31 60.090 60.168 -0.078 1
1 403 . 12 1 1 A 31 31 GLU CB C 31 28.474 29.281 -0.807 1
1 405 . 12 1 1 A 31 31 GLU N N 31 118.099 119.506 -1.407 1
1 406 . 12 1 1 A 32 32 GLU H H 32 8.962 8.221 0.741 1
1 407 . 12 1 1 A 32 32 GLU HA H 32 4.137 4.073 0.064 1
1 412 . 12 1 1 A 32 32 GLU C C 32 179.651 179.660 -0.009 1
1 413 . 12 1 1 A 32 32 GLU CA C 32 58.745 59.051 -0.306 1
1 414 . 12 1 1 A 32 32 GLU CB C 32 28.145 29.332 -1.187 1
1 416 . 12 1 1 A 32 32 GLU N N 32 120.094 120.574 -0.480 1
1 417 . 12 1 1 A 33 33 LEU H H 33 7.748 8.114 -0.366 1
1 418 . 12 1 1 A 33 33 LEU HA H 33 3.922 4.026 -0.104 1
1 428 . 12 1 1 A 33 33 LEU C C 33 178.833 179.305 -0.472 1
1 429 . 12 1 1 A 33 33 LEU CA C 33 58.577 57.763 0.814 1
1 430 . 12 1 1 A 33 33 LEU CB C 33 41.269 41.378 -0.109 1
1 434 . 12 1 1 A 33 33 LEU N N 33 118.890 120.770 -1.880 1
1 435 . 12 1 1 A 34 34 SER H H 34 8.607 8.443 0.164 1
1 436 . 12 1 1 A 34 34 SER HA H 34 4.642 4.633 0.009 1
1 439 . 12 1 1 A 34 34 SER C C 34 175.346 176.456 -1.110 1
1 440 . 12 1 1 A 34 34 SER CA C 34 61.247 60.211 1.036 1
1 441 . 12 1 1 A 34 34 SER CB C 34 63.043 63.404 -0.361 1
1 442 . 12 1 1 A 34 34 SER N N 34 114.464 114.004 0.460 1
1 443 . 12 1 1 A 35 35 TYR H H 35 7.395 7.936 -0.541 1
1 444 . 12 1 1 A 35 35 TYR HA H 35 4.537 4.243 0.294 1
1 451 . 12 1 1 A 35 35 TYR C C 35 177.940 177.535 0.405 1
1 452 . 12 1 1 A 35 35 TYR CA C 35 58.907 61.261 -2.354 1
1 453 . 12 1 1 A 35 35 TYR CB C 35 37.852 38.738 -0.886 1
1 458 . 12 1 1 A 35 35 TYR N N 35 120.804 122.874 -2.070 1
1 459 . 12 1 1 A 36 36 MET H H 36 7.840 8.488 -0.648 1
1 460 . 12 1 1 A 36 36 MET HA H 36 4.158 4.274 -0.116 1
1 468 . 12 1 1 A 36 36 MET C C 36 177.049 176.042 1.007 1
1 469 . 12 1 1 A 36 36 MET CA C 36 58.684 57.861 0.823 1
1 470 . 12 1 1 A 36 36 MET CB C 36 34.927 33.051 1.876 1
1 473 . 12 1 1 A 36 36 MET N N 36 118.425 117.499 0.926 1
1 474 . 12 1 1 A 37 37 VAL H H 37 8.469 8.230 0.239 1
1 475 . 12 1 1 A 37 37 VAL HA H 37 4.265 4.387 -0.122 1
1 483 . 12 1 1 A 37 37 VAL C C 37 173.959 174.619 -0.660 1
1 484 . 12 1 1 A 37 37 VAL CA C 37 61.621 61.781 -0.160 1
1 485 . 12 1 1 A 37 37 VAL CB C 37 32.527 33.014 -0.487 1
1 488 . 12 1 1 A 37 37 VAL N N 37 117.997 118.760 -0.763 1
1 489 . 12 1 1 A 38 38 ASN H H 38 8.677 9.122 -0.445 1
1 490 . 12 1 1 A 38 38 ASN HA H 38 4.948 4.899 0.049 1
1 495 . 12 1 1 A 38 38 ASN C C 38 174.710 174.435 0.275 1
1 496 . 12 1 1 A 38 38 ASN CA C 38 53.444 52.663 0.781 1
1 497 . 12 1 1 A 38 38 ASN CB C 38 37.001 37.510 -0.509 1
1 499 . 12 1 1 A 38 38 ASN N N 38 123.121 127.073 -3.952 1
1 501 . 12 1 1 A 39 39 ILE H H 39 7.744 8.372 -0.628 1
1 502 . 12 1 1 A 39 39 ILE HA H 39 4.655 4.985 -0.330 1
1 512 . 12 1 1 A 39 39 ILE C C 39 176.996 174.123 2.873 1
1 513 . 12 1 1 A 39 39 ILE CA C 39 59.201 58.601 0.600 1
1 514 . 12 1 1 A 39 39 ILE CB C 39 40.558 41.545 -0.987 1
1 518 . 12 1 1 A 39 39 ILE N N 39 115.722 121.688 -5.966 1
1 519 . 12 1 1 A 40 40 ASN H H 40 8.881 8.634 0.247 1
1 520 . 12 1 1 A 40 40 ASN HA H 40 4.192 4.641 -0.449 1
1 525 . 12 1 1 A 40 40 ASN C C 40 177.705 174.581 3.124 1
1 526 . 12 1 1 A 40 40 ASN CA C 40 56.883 52.124 4.759 1
1 527 . 12 1 1 A 40 40 ASN CB C 40 38.313 36.925 1.388 1
1 529 . 12 1 1 A 40 40 ASN N N 40 124.600 123.793 0.807 1
1 531 . 12 1 1 A 41 41 CYS H H 41 8.034 8.381 -0.347 1
1 532 . 12 1 1 A 41 41 CYS HA H 41 4.373 4.377 -0.004 1
1 535 . 12 1 1 A 41 41 CYS C C 41 174.303 176.226 -1.923 1
1 536 . 12 1 1 A 41 41 CYS CA C 41 59.164 60.213 -1.049 1
1 537 . 12 1 1 A 41 41 CYS CB C 41 26.126 29.190 -3.064 1
1 538 . 12 1 1 A 41 41 CYS N N 41 115.097 123.113 -8.016 1
1 539 . 12 1 1 A 42 42 PHE H H 42 7.031 7.890 -0.859 1
1 540 . 12 1 1 A 42 42 PHE HA H 42 4.937 4.273 0.664 1
1 548 . 12 1 1 A 42 42 PHE C C 42 174.437 177.128 -2.691 1
1 549 . 12 1 1 A 42 42 PHE CA C 42 54.439 61.439 -7.000 1
1 550 . 12 1 1 A 42 42 PHE CB C 42 38.059 38.132 -0.073 1
1 556 . 12 1 1 A 42 42 PHE N N 42 117.304 119.061 -1.757 1
1 557 . 12 1 1 A 43 43 LYS H H 43 7.371 7.467 -0.096 1
1 558 . 12 1 1 A 43 43 LYS HA H 43 4.304 4.281 0.023 1
1 567 . 12 1 1 A 43 43 LYS C C 43 175.800 176.082 -0.282 1
1 568 . 12 1 1 A 43 43 LYS CA C 43 57.474 57.163 0.311 1
1 569 . 12 1 1 A 43 43 LYS CB C 43 34.978 32.820 2.158 1
1 573 . 12 1 1 A 43 43 LYS N N 43 116.029 117.035 -1.006 1
1 574 . 12 1 1 A 44 44 LYS H H 44 7.593 7.181 0.412 1
1 575 . 12 1 1 A 44 44 LYS HA H 44 4.302 4.598 -0.296 1
1 584 . 12 1 1 A 44 44 LYS C C 44 173.608 174.841 -1.233 1
1 585 . 12 1 1 A 44 44 LYS CA C 44 55.169 54.912 0.257 1
1 586 . 12 1 1 A 44 44 LYS CB C 44 33.123 34.884 -1.761 1
1 590 . 12 1 1 A 44 44 LYS N N 44 119.851 115.450 4.401 1
1 591 . 12 1 1 A 45 45 ASP H H 45 8.774 8.667 0.107 1
1 592 . 12 1 1 A 45 45 ASP HA H 45 4.200 4.071 0.129 1
1 595 . 12 1 1 A 45 45 ASP C C 45 172.128 176.209 -4.081 1
1 596 . 12 1 1 A 45 45 ASP CA C 45 53.963 54.639 -0.676 1
1 597 . 12 1 1 A 45 45 ASP CB C 45 40.263 39.353 0.910 1
1 598 . 12 1 1 A 45 45 ASP N N 45 122.276 119.529 2.747 1
1 599 . 12 1 1 A 46 46 PRO HA H 46 3.930 4.231 -0.301 1
1 606 . 12 1 1 A 46 46 PRO C C 46 176.968 175.574 1.394 1
1 607 . 12 1 1 A 46 46 PRO CA C 46 62.964 63.133 -0.169 1
1 608 . 12 1 1 A 46 46 PRO CB C 46 30.892 30.723 0.169 1
1 611 . 12 1 1 A 47 47 SER H H 47 8.018 7.819 0.199 1
1 612 . 12 1 1 A 47 47 SER HA H 47 4.676 4.540 0.136 1
1 615 . 12 1 1 A 47 47 SER C C 47 175.465 175.383 0.082 1
1 616 . 12 1 1 A 47 47 SER CA C 47 57.014 59.243 -2.229 1
1 617 . 12 1 1 A 47 47 SER CB C 47 66.436 64.080 2.356 1
1 618 . 12 1 1 A 47 47 SER N N 47 112.273 117.058 -4.785 1
1 619 . 12 1 1 A 48 48 ILE H H 48 9.489 8.877 0.612 1
1 620 . 12 1 1 A 48 48 ILE HA H 48 4.013 3.991 0.022 1
1 630 . 12 1 1 A 48 48 ILE C C 48 177.681 177.398 0.283 1
1 631 . 12 1 1 A 48 48 ILE CA C 48 64.456 65.609 -1.153 1
1 632 . 12 1 1 A 48 48 ILE CB C 48 36.382 38.086 -1.704 1
1 636 . 12 1 1 A 48 48 ILE N N 48 126.826 124.828 1.998 1
1 637 . 12 1 1 A 49 49 LYS H H 49 8.735 8.150 0.585 1
1 638 . 12 1 1 A 49 49 LYS HA H 49 3.984 3.993 -0.009 1
1 647 . 12 1 1 A 49 49 LYS C C 49 179.784 179.304 0.480 1
1 648 . 12 1 1 A 49 49 LYS CA C 49 60.562 59.333 1.229 1
1 649 . 12 1 1 A 49 49 LYS CB C 49 32.533 32.009 0.524 1
1 653 . 12 1 1 A 49 49 LYS N N 49 118.592 120.088 -1.496 1
1 654 . 12 1 1 A 50 50 SER H H 50 8.065 7.803 0.262 1
1 655 . 12 1 1 A 50 50 SER HA H 50 4.270 4.188 0.082 1
1 658 . 12 1 1 A 50 50 SER C C 50 178.135 176.887 1.248 1
1 659 . 12 1 1 A 50 50 SER CA C 50 61.431 61.640 -0.209 1
1 660 . 12 1 1 A 50 50 SER CB C 50 62.672 63.120 -0.448 1
1 661 . 12 1 1 A 50 50 SER N N 50 114.354 115.664 -1.310 1
1 662 . 12 1 1 A 51 51 SER H H 51 8.300 8.588 -0.288 1
1 663 . 12 1 1 A 51 51 SER HA H 51 4.681 4.473 0.208 1
1 666 . 12 1 1 A 51 51 SER C C 51 176.245 177.416 -1.171 1
1 667 . 12 1 1 A 51 51 SER CA C 51 63.327 61.773 1.554 1
1 668 . 12 1 1 A 51 51 SER CB C 51 64.340 62.608 1.732 1
1 669 . 12 1 1 A 51 51 SER N N 51 120.855 116.215 4.640 1
1 670 . 12 1 1 A 52 52 LEU H H 52 8.849 8.646 0.203 1
1 671 . 12 1 1 A 52 52 LEU HA H 52 3.902 3.999 -0.097 1
1 681 . 12 1 1 A 52 52 LEU C C 52 178.339 179.534 -1.195 1
1 682 . 12 1 1 A 52 52 LEU CA C 52 58.600 58.256 0.344 1
1 683 . 12 1 1 A 52 52 LEU CB C 52 41.685 41.525 0.160 1
1 687 . 12 1 1 A 52 52 LEU N N 52 122.627 123.270 -0.643 1
1 688 . 12 1 1 A 53 53 LYS H H 53 7.268 7.760 -0.492 1
1 689 . 12 1 1 A 53 53 LYS HA H 53 3.957 3.983 -0.026 1
1 698 . 12 1 1 A 53 53 LYS C C 53 178.750 179.000 -0.250 1
1 699 . 12 1 1 A 53 53 LYS CA C 53 59.867 59.391 0.476 1
1 700 . 12 1 1 A 53 53 LYS CB C 53 32.475 32.136 0.339 1
1 704 . 12 1 1 A 53 53 LYS N N 53 117.100 117.718 -0.618 1
1 705 . 12 1 1 A 54 54 PHE H H 54 7.388 7.773 -0.385 1
1 706 . 12 1 1 A 54 54 PHE HA H 54 4.167 4.042 0.125 1
1 714 . 12 1 1 A 54 54 PHE C C 54 178.975 176.730 2.245 1
1 715 . 12 1 1 A 54 54 PHE CA C 54 61.515 61.268 0.247 1
1 716 . 12 1 1 A 54 54 PHE CB C 54 39.619 39.443 0.176 1
1 722 . 12 1 1 A 54 54 PHE N N 54 117.704 120.540 -2.836 1
1 723 . 12 1 1 A 55 55 LEU H H 55 9.142 8.625 0.517 1
1 724 . 12 1 1 A 55 55 LEU HA H 55 3.720 3.783 -0.063 1
1 734 . 12 1 1 A 55 55 LEU C C 55 178.763 179.232 -0.469 1
1 735 . 12 1 1 A 55 55 LEU CA C 55 57.656 57.713 -0.057 1
1 736 . 12 1 1 A 55 55 LEU CB C 55 42.837 41.269 1.568 1
1 740 . 12 1 1 A 55 55 LEU N N 55 120.396 118.630 1.766 1
1 741 . 12 1 1 A 56 56 ARG H H 56 8.338 8.219 0.119 1
1 742 . 12 1 1 A 56 56 ARG HA H 56 3.855 3.937 -0.082 1
1 750 . 12 1 1 A 56 56 ARG C C 56 176.697 178.722 -2.025 1
1 751 . 12 1 1 A 56 56 ARG CA C 56 59.452 59.667 -0.215 1
1 752 . 12 1 1 A 56 56 ARG CB C 56 30.239 29.758 0.481 1
1 755 . 12 1 1 A 56 56 ARG N N 56 116.866 119.253 -2.387 1
1 757 . 12 1 1 A 57 57 LYS H H 57 6.770 7.517 -0.747 1
1 758 . 12 1 1 A 57 57 LYS HA H 57 4.542 4.115 0.427 1
1 767 . 12 1 1 A 57 57 LYS C C 57 176.148 176.112 0.036 1
1 768 . 12 1 1 A 57 57 LYS CA C 57 55.545 58.477 -2.932 1
1 769 . 12 1 1 A 57 57 LYS CB C 57 33.805 32.559 1.246 1
1 773 . 12 1 1 A 57 57 LYS N N 57 113.205 119.083 -5.878 1
1 774 . 12 1 1 A 58 58 THR H H 58 6.908 7.977 -1.069 1
1 775 . 12 1 1 A 58 58 THR HA H 58 4.212 4.285 -0.073 1
1 780 . 12 1 1 A 58 58 THR C C 58 173.643 173.977 -0.334 1
1 781 . 12 1 1 A 58 58 THR CA C 58 60.688 61.146 -0.458 1
1 782 . 12 1 1 A 58 58 THR CB C 58 67.557 68.385 -0.828 1
1 784 . 12 1 1 A 58 58 THR N N 58 117.915 114.502 3.413 1
1 785 . 12 1 1 A 59 59 ASP H H 59 8.789 8.864 -0.075 1
1 786 . 12 1 1 A 59 59 ASP HA H 59 4.128 4.168 -0.040 1
1 789 . 12 1 1 A 59 59 ASP C C 59 178.565 179.179 -0.614 1
1 790 . 12 1 1 A 59 59 ASP CA C 59 58.506 57.753 0.753 1
1 791 . 12 1 1 A 59 59 ASP CB C 59 39.530 40.423 -0.893 1
1 792 . 12 1 1 A 59 59 ASP N N 59 128.511 127.110 1.401 1
1 793 . 12 1 1 A 60 60 TRP H H 60 8.638 8.278 0.360 1
1 794 . 12 1 1 A 60 60 TRP HA H 60 4.375 4.609 -0.234 1
1 803 . 12 1 1 A 60 60 TRP C C 60 178.277 178.508 -0.231 1
1 804 . 12 1 1 A 60 60 TRP CA C 60 59.183 59.873 -0.690 1
1 805 . 12 1 1 A 60 60 TRP CB C 60 26.962 27.956 -0.994 1
1 811 . 12 1 1 A 60 60 TRP N N 60 117.515 118.904 -1.389 1
1 813 . 12 1 1 A 61 61 ALA H H 61 5.533 7.549 -2.016 1
1 814 . 12 1 1 A 61 61 ALA HA H 61 3.414 3.851 -0.437 1
1 818 . 12 1 1 A 61 61 ALA C C 61 177.616 179.653 -2.037 1
1 819 . 12 1 1 A 61 61 ALA CA C 61 54.478 54.944 -0.466 1
1 820 . 12 1 1 A 61 61 ALA CB C 61 17.904 17.801 0.103 1
1 821 . 12 1 1 A 61 61 ALA N N 61 125.465 123.944 1.521 1
1 822 . 12 1 1 A 62 62 ARG H H 62 7.811 7.446 0.365 1
1 823 . 12 1 1 A 62 62 ARG HA H 62 3.617 4.016 -0.399 1
1 831 . 12 1 1 A 62 62 ARG C C 62 177.918 178.872 -0.954 1
1 832 . 12 1 1 A 62 62 ARG CA C 62 60.708 59.479 1.229 1
1 833 . 12 1 1 A 62 62 ARG CB C 62 29.156 29.862 -0.706 1
1 836 . 12 1 1 A 62 62 ARG N N 62 120.420 118.688 1.732 1
1 838 . 12 1 1 A 63 63 GLU H H 63 8.412 8.580 -0.168 1
1 839 . 12 1 1 A 63 63 GLU HA H 63 4.041 4.044 -0.003 1
1 844 . 12 1 1 A 63 63 GLU C C 63 178.935 179.544 -0.609 1
1 845 . 12 1 1 A 63 63 GLU CA C 63 59.509 59.438 0.071 1
1 846 . 12 1 1 A 63 63 GLU CB C 63 28.759 29.273 -0.514 1
1 848 . 12 1 1 A 63 63 GLU N N 63 117.144 117.561 -0.417 1
1 849 . 12 1 1 A 64 64 ARG H H 64 7.603 7.837 -0.234 1
1 850 . 12 1 1 A 64 64 ARG HA H 64 4.256 4.114 0.142 1
1 858 . 12 1 1 A 64 64 ARG C C 64 179.133 178.532 0.601 1
1 859 . 12 1 1 A 64 64 ARG CA C 64 59.340 59.619 -0.279 1
1 860 . 12 1 1 A 64 64 ARG CB C 64 30.067 30.731 -0.664 1
1 863 . 12 1 1 A 64 64 ARG N N 64 118.298 119.791 -1.493 1
1 865 . 12 1 1 A 65 65 VAL H H 65 8.065 7.949 0.116 1
1 866 . 12 1 1 A 65 65 VAL HA H 65 3.713 3.639 0.074 1
1 874 . 12 1 1 A 65 65 VAL C C 65 177.638 178.023 -0.385 1
1 875 . 12 1 1 A 65 65 VAL CA C 65 66.891 67.082 -0.191 1
1 876 . 12 1 1 A 65 65 VAL CB C 65 31.480 31.658 -0.178 1
1 879 . 12 1 1 A 65 65 VAL N N 65 117.270 120.457 -3.187 1
1 880 . 12 1 1 A 66 66 GLU H H 66 8.583 8.522 0.061 1
1 881 . 12 1 1 A 66 66 GLU HA H 66 3.912 4.086 -0.174 1
1 886 . 12 1 1 A 66 66 GLU C C 66 178.380 178.983 -0.603 1
1 887 . 12 1 1 A 66 66 GLU CA C 66 60.256 59.172 1.084 1
1 888 . 12 1 1 A 66 66 GLU CB C 66 28.691 29.197 -0.506 1
1 890 . 12 1 1 A 66 66 GLU N N 66 119.924 119.995 -0.071 1
1 891 . 12 1 1 A 67 67 ASN H H 67 8.267 7.975 0.292 1
1 892 . 12 1 1 A 67 67 ASN HA H 67 4.567 4.563 0.004 1
1 897 . 12 1 1 A 67 67 ASN C C 67 178.338 177.945 0.393 1
1 898 . 12 1 1 A 67 67 ASN CA C 67 56.900 56.519 0.381 1
1 899 . 12 1 1 A 67 67 ASN CB C 67 38.802 38.837 -0.035 1
1 901 . 12 1 1 A 67 67 ASN N N 67 117.574 118.491 -0.917 1
1 903 . 12 1 1 A 68 68 ILE H H 68 8.132 7.997 0.135 1
1 904 . 12 1 1 A 68 68 ILE HA H 68 3.726 3.667 0.059 1
1 914 . 12 1 1 A 68 68 ILE C C 68 178.722 177.828 0.894 1
1 915 . 12 1 1 A 68 68 ILE CA C 68 65.388 65.504 -0.116 1
1 916 . 12 1 1 A 68 68 ILE CB C 68 37.841 37.677 0.164 1
1 920 . 12 1 1 A 68 68 ILE N N 68 121.125 119.602 1.523 1
1 921 . 12 1 1 A 69 69 TYR H H 69 8.146 8.346 -0.200 1
1 922 . 12 1 1 A 69 69 TYR HA H 69 4.058 4.224 -0.166 1
1 929 . 12 1 1 A 69 69 TYR C C 69 177.061 177.623 -0.562 1
1 930 . 12 1 1 A 69 69 TYR CA C 69 62.828 61.710 1.118 1
1 931 . 12 1 1 A 69 69 TYR CB C 69 38.747 38.711 0.036 1
1 936 . 12 1 1 A 69 69 TYR N N 69 121.378 120.933 0.445 1
1 937 . 12 1 1 A 70 70 LEU H H 70 8.630 8.244 0.386 1
1 938 . 12 1 1 A 70 70 LEU HA H 70 3.875 3.829 0.046 1
1 948 . 12 1 1 A 70 70 LEU C C 70 179.755 179.378 0.377 1
1 949 . 12 1 1 A 70 70 LEU CA C 70 58.230 57.989 0.241 1
1 950 . 12 1 1 A 70 70 LEU CB C 70 41.733 41.483 0.250 1
1 954 . 12 1 1 A 70 70 LEU N N 70 120.179 120.057 0.122 1
1 955 . 12 1 1 A 71 71 LYS H H 71 7.950 8.326 -0.376 1
1 956 . 12 1 1 A 71 71 LYS HA H 71 3.957 3.854 0.103 1
1 965 . 12 1 1 A 71 71 LYS C C 71 178.961 179.219 -0.258 1
1 966 . 12 1 1 A 71 71 LYS CA C 71 59.684 60.127 -0.443 1
1 967 . 12 1 1 A 71 71 LYS CB C 71 32.421 32.482 -0.061 1
1 971 . 12 1 1 A 71 71 LYS N N 71 118.820 117.707 1.113 1
1 972 . 12 1 1 A 72 72 LEU H H 72 7.731 8.282 -0.551 1
1 973 . 12 1 1 A 72 72 LEU HA H 72 4.037 4.215 -0.178 1
1 983 . 12 1 1 A 72 72 LEU C C 72 178.533 178.628 -0.095 1
1 984 . 12 1 1 A 72 72 LEU CA C 72 57.352 57.800 -0.448 1
1 985 . 12 1 1 A 72 72 LEU CB C 72 41.406 41.917 -0.511 1
1 989 . 12 1 1 A 72 72 LEU N N 72 121.367 121.077 0.290 1
1 990 . 12 1 1 A 73 73 GLN H H 73 7.884 8.166 -0.282 1
1 991 . 12 1 1 A 73 73 GLN HA H 73 3.852 3.805 0.047 1
1 998 . 12 1 1 A 73 73 GLN C C 73 177.679 178.824 -1.145 1
1 999 . 12 1 1 A 73 73 GLN CA C 73 57.026 59.110 -2.084 1
1 1000 . 12 1 1 A 73 73 GLN CB C 73 28.148 28.423 -0.275 1
1 1003 . 12 1 1 A 73 73 GLN N N 73 116.639 118.036 -1.397 1
1 1005 . 12 1 1 A 74 74 ARG H H 74 7.725 7.947 -0.222 1
1 1006 . 12 1 1 A 74 74 ARG HA H 74 4.136 4.016 0.120 1
1 1013 . 12 1 1 A 74 74 ARG C C 74 177.235 177.284 -0.049 1
1 1014 . 12 1 1 A 74 74 ARG CA C 74 57.452 58.488 -1.036 1
1 1015 . 12 1 1 A 74 74 ARG CB C 74 30.308 30.176 0.132 1
1 1018 . 12 1 1 A 74 74 ARG N N 74 118.122 118.439 -0.317 1
1 1019 . 12 1 1 A 75 75 HIS H H 75 7.982 7.441 0.541 1
1 1020 . 12 1 1 A 75 75 HIS HA H 75 4.564 4.508 0.056 1
1 1023 . 12 1 1 A 75 75 HIS C C 75 175.202 174.961 0.241 1
1 1024 . 12 1 1 A 75 75 HIS CA C 75 56.587 57.036 -0.449 1
1 1025 . 12 1 1 A 75 75 HIS CB C 75 28.477 29.791 -1.314 1
1 1026 . 12 1 1 A 75 75 HIS N N 75 117.995 116.758 1.237 1
1 1027 . 12 1 1 A 76 76 LYS H H 76 8.180 7.360 0.820 1
1 1028 . 12 1 1 A 76 76 LYS HA H 76 4.148 3.968 0.180 1
1 1037 . 12 1 1 A 76 76 LYS C C 76 177.303 175.758 1.545 1
1 1038 . 12 1 1 A 76 76 LYS CA C 76 57.550 56.460 1.090 1
1 1039 . 12 1 1 A 76 76 LYS CB C 76 32.789 32.941 -0.152 1
1 1043 . 12 1 1 A 76 76 LYS N N 76 121.510 122.239 -0.729 1
1 1044 . 12 1 1 A 77 77 GLU H H 77 8.321 8.304 0.017 1
1 1045 . 12 1 1 A 77 77 GLU HA H 77 4.224 4.291 -0.067 1
1 1050 . 12 1 1 A 77 77 GLU C C 77 177.067 176.136 0.931 1
1 1051 . 12 1 1 A 77 77 GLU CA C 77 56.991 56.240 0.751 1
1 1052 . 12 1 1 A 77 77 GLU CB C 77 29.841 30.375 -0.534 1
1 1054 . 12 1 1 A 77 77 GLU N N 77 120.860 123.828 -2.968 1
1 1055 . 12 1 1 A 78 78 ARG H H 78 8.228 8.427 -0.199 1
1 1056 . 12 1 1 A 78 78 ARG HA H 78 4.240 4.111 0.129 1
1 1063 . 12 1 1 A 78 78 ARG C C 78 176.577 175.887 0.690 1
1 1064 . 12 1 1 A 78 78 ARG CA C 78 56.786 56.478 0.308 1
1 1065 . 12 1 1 A 78 78 ARG CB C 78 30.413 30.438 -0.025 1
1 1068 . 12 1 1 A 78 78 ARG N N 78 121.081 121.231 -0.150 1
1 1069 . 12 1 1 A 79 79 ASN H H 79 8.333 8.711 -0.378 1
1 1070 . 12 1 1 A 79 79 ASN HA H 79 4.617 4.748 -0.131 1
1 1075 . 12 1 1 A 79 79 ASN C C 79 175.605 176.398 -0.793 1
1 1076 . 12 1 1 A 79 79 ASN CA C 79 53.938 53.066 0.872 1
1 1077 . 12 1 1 A 79 79 ASN CB C 79 38.748 37.489 1.259 1
1 1079 . 12 1 1 A 79 79 ASN N N 79 118.880 122.037 -3.157 1
1 1081 . 12 1 1 A 80 80 GLN H H 80 8.285 8.335 -0.050 1
1 1082 . 12 1 1 A 80 80 GLN HA H 80 4.253 4.097 0.156 1
1 1089 . 12 1 1 A 80 80 GLN C C 80 176.304 176.467 -0.163 1
1 1090 . 12 1 1 A 80 80 GLN CA C 80 56.545 57.696 -1.151 1
1 1091 . 12 1 1 A 80 80 GLN CB C 80 29.274 28.025 1.249 1
1 1094 . 12 1 1 A 80 80 GLN N N 80 120.222 124.071 -3.849 1
1 1096 . 12 1 1 A 81 81 LEU H H 81 8.130 7.417 0.713 1
1 1097 . 12 1 1 A 81 81 LEU HA H 81 4.222 4.408 -0.186 1
1 1107 . 12 1 1 A 81 81 LEU C C 81 177.542 176.774 0.768 1
1 1108 . 12 1 1 A 81 81 LEU CA C 81 55.736 54.384 1.352 1
1 1109 . 12 1 1 A 81 81 LEU CB C 81 42.196 42.457 -0.261 1
1 1113 . 12 1 1 A 81 81 LEU N N 81 122.119 122.288 -0.169 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.081 4.516 -0.435 1
1 5 . 13 1 1 A 2 2 ALA C C 2 173.423 177.114 -3.691 1
1 6 . 13 1 1 A 2 2 ALA CA C 2 51.798 51.970 -0.172 1
1 7 . 13 1 1 A 2 2 ALA CB C 2 19.502 18.915 0.587 1
1 8 . 13 1 1 A 3 3 LEU H H 3 8.547 8.725 -0.178 1
1 9 . 13 1 1 A 3 3 LEU HA H 3 4.394 4.492 -0.098 1
1 19 . 13 1 1 A 3 3 LEU C C 3 176.779 178.322 -1.543 1
1 20 . 13 1 1 A 3 3 LEU CA C 3 55.226 54.373 0.853 1
1 21 . 13 1 1 A 3 3 LEU CB C 3 42.472 41.151 1.321 1
1 25 . 13 1 1 A 3 3 LEU N N 3 122.089 123.996 -1.907 1
1 26 . 13 1 1 A 4 4 ILE H H 4 8.319 8.476 -0.157 1
1 27 . 13 1 1 A 4 4 ILE HA H 4 4.167 3.966 0.201 1
1 37 . 13 1 1 A 4 4 ILE C C 4 176.138 176.511 -0.373 1
1 38 . 13 1 1 A 4 4 ILE CA C 4 60.894 62.827 -1.933 1
1 39 . 13 1 1 A 4 4 ILE CB C 4 38.595 37.932 0.663 1
1 43 . 13 1 1 A 4 4 ILE N N 4 123.468 123.802 -0.334 1
1 44 . 13 1 1 A 5 5 MET H H 5 8.574 8.091 0.483 1
1 45 . 13 1 1 A 5 5 MET HA H 5 4.584 4.356 0.228 1
1 50 . 13 1 1 A 5 5 MET C C 5 176.274 176.354 -0.080 1
1 51 . 13 1 1 A 5 5 MET CA C 5 55.348 55.203 0.145 1
1 52 . 13 1 1 A 5 5 MET CB C 5 32.961 31.728 1.233 1
1 54 . 13 1 1 A 5 5 MET N N 5 125.527 119.618 5.909 1
1 55 . 13 1 1 A 6 6 THR H H 6 8.172 7.798 0.374 1
1 56 . 13 1 1 A 6 6 THR HA H 6 4.331 4.510 -0.179 1
1 61 . 13 1 1 A 6 6 THR C C 6 174.578 173.822 0.756 1
1 62 . 13 1 1 A 6 6 THR CA C 6 61.849 61.269 0.580 1
1 63 . 13 1 1 A 6 6 THR CB C 6 69.904 67.986 1.918 1
1 65 . 13 1 1 A 6 6 THR N N 6 115.487 113.222 2.265 1
1 66 . 13 1 1 A 7 7 GLN H H 7 8.461 8.650 -0.189 1
1 67 . 13 1 1 A 7 7 GLN HA H 7 4.317 4.684 -0.367 1
1 74 . 13 1 1 A 7 7 GLN C C 7 176.108 175.498 0.610 1
1 75 . 13 1 1 A 7 7 GLN CA C 7 56.149 53.932 2.217 1
1 76 . 13 1 1 A 7 7 GLN CB C 7 29.491 31.306 -1.815 1
1 79 . 13 1 1 A 7 7 GLN N N 7 122.199 126.210 -4.011 1
1 81 . 13 1 1 A 8 8 GLN H H 8 8.418 8.407 0.011 1
1 82 . 13 1 1 A 8 8 GLN HA H 8 4.219 4.146 0.073 1
1 89 . 13 1 1 A 8 8 GLN C C 8 175.704 175.693 0.011 1
1 90 . 13 1 1 A 8 8 GLN CA C 8 56.112 56.154 -0.042 1
1 91 . 13 1 1 A 8 8 GLN CB C 8 29.435 28.904 0.531 1
1 94 . 13 1 1 A 8 8 GLN N N 8 121.100 123.087 -1.987 1
1 96 . 13 1 1 A 9 9 ASN H H 9 8.404 8.586 -0.182 1
1 97 . 13 1 1 A 9 9 ASN HA H 9 4.654 5.320 -0.666 1
1 102 . 13 1 1 A 9 9 ASN C C 9 174.445 174.507 -0.062 1
1 103 . 13 1 1 A 9 9 ASN CA C 9 53.190 52.047 1.143 1
1 104 . 13 1 1 A 9 9 ASN CB C 9 38.913 40.044 -1.131 1
1 106 . 13 1 1 A 9 9 ASN N N 9 119.104 120.181 -1.077 1
1 108 . 13 1 1 A 10 10 ASN H H 10 8.306 8.869 -0.563 1
1 109 . 13 1 1 A 10 10 ASN HA H 10 4.964 5.370 -0.406 1
1 114 . 13 1 1 A 10 10 ASN C C 10 174.315 174.428 -0.113 1
1 115 . 13 1 1 A 10 10 ASN CA C 10 51.318 50.985 0.333 1
1 116 . 13 1 1 A 10 10 ASN CB C 10 38.992 39.323 -0.331 1
1 118 . 13 1 1 A 10 10 ASN N N 10 119.847 117.566 2.281 1
1 120 . 13 1 1 A 11 11 PRO HA H 11 4.427 4.375 0.052 1
1 127 . 13 1 1 A 11 11 PRO C C 11 177.095 178.110 -1.015 1
1 128 . 13 1 1 A 11 11 PRO CA C 11 64.214 64.402 -0.188 1
1 129 . 13 1 1 A 11 11 PRO CB C 11 32.355 32.029 0.326 1
1 132 . 13 1 1 A 12 12 LEU H H 12 8.102 7.717 0.385 1
1 133 . 13 1 1 A 12 12 LEU HA H 12 4.320 4.444 -0.124 1
1 143 . 13 1 1 A 12 12 LEU C C 12 177.341 177.847 -0.506 1
1 144 . 13 1 1 A 12 12 LEU CA C 12 54.883 56.155 -1.272 1
1 145 . 13 1 1 A 12 12 LEU CB C 12 41.300 42.787 -1.487 1
1 149 . 13 1 1 A 12 12 LEU N N 12 117.525 115.035 2.490 1
1 150 . 13 1 1 A 13 13 HIS H H 13 8.004 8.412 -0.408 1
1 151 . 13 1 1 A 13 13 HIS HA H 13 4.453 4.182 0.271 1
1 154 . 13 1 1 A 13 13 HIS C C 13 175.375 174.752 0.623 1
1 155 . 13 1 1 A 13 13 HIS CA C 13 56.796 57.105 -0.309 1
1 156 . 13 1 1 A 13 13 HIS CB C 13 28.248 28.783 -0.535 1
1 157 . 13 1 1 A 13 13 HIS N N 13 117.833 118.592 -0.759 1
1 158 . 13 1 1 A 14 14 GLY H H 14 8.530 8.583 -0.053 1
1 159 . 13 1 1 A 14 14 GLY HA2 H 14 3.930 3.797 0.133 1
1 160 . 13 1 1 A 14 14 GLY HA3 H 14 3.755 3.860 -0.105 1
1 161 . 13 1 1 A 14 14 GLY C C 14 173.536 174.831 -1.295 1
1 162 . 13 1 1 A 14 14 GLY CA C 14 45.529 46.348 -0.819 1
1 163 . 13 1 1 A 14 14 GLY N N 14 110.385 106.073 4.312 1
1 164 . 13 1 1 A 15 15 ILE H H 15 7.563 8.117 -0.554 1
1 165 . 13 1 1 A 15 15 ILE HA H 15 4.392 4.052 0.340 1
1 175 . 13 1 1 A 15 15 ILE C C 15 174.878 176.144 -1.266 1
1 176 . 13 1 1 A 15 15 ILE CA C 15 60.102 61.362 -1.260 1
1 177 . 13 1 1 A 15 15 ILE CB C 15 39.383 38.224 1.159 1
1 181 . 13 1 1 A 15 15 ILE N N 15 120.363 120.586 -0.223 1
1 182 . 13 1 1 A 16 16 THR H H 16 7.643 8.428 -0.785 1
1 183 . 13 1 1 A 16 16 THR HA H 16 4.381 4.556 -0.175 1
1 188 . 13 1 1 A 16 16 THR C C 16 174.950 175.567 -0.617 1
1 189 . 13 1 1 A 16 16 THR CA C 16 60.355 61.152 -0.797 1
1 190 . 13 1 1 A 16 16 THR CB C 16 70.834 70.680 0.154 1
1 192 . 13 1 1 A 16 16 THR N N 16 115.980 118.766 -2.786 1
1 193 . 13 1 1 A 17 17 LEU H H 17 8.712 8.772 -0.060 1
1 194 . 13 1 1 A 17 17 LEU HA H 17 4.029 4.012 0.017 1
1 204 . 13 1 1 A 17 17 LEU C C 17 178.125 177.931 0.194 1
1 205 . 13 1 1 A 17 17 LEU CA C 17 57.582 58.502 -0.920 1
1 206 . 13 1 1 A 17 17 LEU CB C 17 40.906 41.152 -0.246 1
1 210 . 13 1 1 A 17 17 LEU N N 17 123.337 123.657 -0.320 1
1 211 . 13 1 1 A 18 18 GLN H H 18 8.611 8.279 0.332 1
1 212 . 13 1 1 A 18 18 GLN HA H 18 3.774 3.992 -0.218 1
1 219 . 13 1 1 A 18 18 GLN C C 18 178.211 178.579 -0.368 1
1 220 . 13 1 1 A 18 18 GLN CA C 18 60.388 59.284 1.104 1
1 221 . 13 1 1 A 18 18 GLN CB C 18 27.809 28.827 -1.018 1
1 224 . 13 1 1 A 18 18 GLN N N 18 116.423 118.639 -2.216 1
1 226 . 13 1 1 A 19 19 LYS H H 19 7.861 7.506 0.355 1
1 227 . 13 1 1 A 19 19 LYS HA H 19 3.957 4.184 -0.227 1
1 236 . 13 1 1 A 19 19 LYS C C 19 177.806 178.679 -0.873 1
1 237 . 13 1 1 A 19 19 LYS CA C 19 59.684 58.823 0.861 1
1 238 . 13 1 1 A 19 19 LYS CB C 19 32.300 31.937 0.363 1
1 242 . 13 1 1 A 19 19 LYS N N 19 123.583 119.795 3.788 1
1 243 . 13 1 1 A 20 20 LEU H H 20 8.223 8.179 0.044 1
1 244 . 13 1 1 A 20 20 LEU HA H 20 3.418 3.518 -0.100 1
1 254 . 13 1 1 A 20 20 LEU C C 20 178.417 178.212 0.205 1
1 255 . 13 1 1 A 20 20 LEU CA C 20 59.301 57.998 1.303 1
1 256 . 13 1 1 A 20 20 LEU CB C 20 41.370 41.353 0.017 1
1 260 . 13 1 1 A 20 20 LEU N N 20 121.397 121.036 0.361 1
1 261 . 13 1 1 A 21 21 LEU H H 21 8.649 8.264 0.385 1
1 262 . 13 1 1 A 21 21 LEU HA H 21 3.872 3.888 -0.016 1
1 272 . 13 1 1 A 21 21 LEU C C 21 178.009 178.529 -0.520 1
1 273 . 13 1 1 A 21 21 LEU CA C 21 58.027 58.140 -0.113 1
1 274 . 13 1 1 A 21 21 LEU CB C 21 42.279 41.462 0.817 1
1 278 . 13 1 1 A 21 21 LEU N N 21 118.999 119.682 -0.683 1
1 279 . 13 1 1 A 22 22 THR H H 22 8.025 7.921 0.104 1
1 280 . 13 1 1 A 22 22 THR HA H 22 3.592 3.757 -0.165 1
1 285 . 13 1 1 A 22 22 THR C C 22 176.358 176.448 -0.090 1
1 286 . 13 1 1 A 22 22 THR CA C 22 67.879 66.912 0.967 1
1 287 . 13 1 1 A 22 22 THR CB C 22 68.717 68.680 0.037 1
1 289 . 13 1 1 A 22 22 THR N N 22 115.015 114.804 0.211 1
1 290 . 13 1 1 A 23 23 GLU H H 23 8.158 8.606 -0.448 1
1 291 . 13 1 1 A 23 23 GLU HA H 23 4.068 4.035 0.033 1
1 296 . 13 1 1 A 23 23 GLU C C 23 180.091 179.755 0.336 1
1 297 . 13 1 1 A 23 23 GLU CA C 23 59.845 59.487 0.358 1
1 298 . 13 1 1 A 23 23 GLU CB C 23 29.101 29.299 -0.198 1
1 300 . 13 1 1 A 23 23 GLU N N 23 120.691 119.381 1.310 1
1 301 . 13 1 1 A 24 24 LEU H H 24 8.121 7.820 0.301 1
1 302 . 13 1 1 A 24 24 LEU HA H 24 4.140 4.320 -0.180 1
1 312 . 13 1 1 A 24 24 LEU C C 24 179.047 179.365 -0.318 1
1 313 . 13 1 1 A 24 24 LEU CA C 24 58.438 58.011 0.427 1
1 314 . 13 1 1 A 24 24 LEU CB C 24 42.715 41.716 0.999 1
1 318 . 13 1 1 A 24 24 LEU N N 24 119.210 120.385 -1.175 1
1 319 . 13 1 1 A 25 25 VAL H H 25 8.577 8.278 0.299 1
1 320 . 13 1 1 A 25 25 VAL HA H 25 2.698 3.172 -0.474 1
1 328 . 13 1 1 A 25 25 VAL C C 25 179.143 177.745 1.398 1
1 329 . 13 1 1 A 25 25 VAL CA C 25 67.077 66.729 0.348 1
1 330 . 13 1 1 A 25 25 VAL CB C 25 31.127 30.837 0.290 1
1 333 . 13 1 1 A 25 25 VAL N N 25 122.036 119.929 2.107 1
1 334 . 13 1 1 A 26 26 GLU H H 26 8.216 8.744 -0.528 1
1 335 . 13 1 1 A 26 26 GLU HA H 26 3.858 4.122 -0.264 1
1 340 . 13 1 1 A 26 26 GLU C C 26 177.409 178.485 -1.076 1
1 341 . 13 1 1 A 26 26 GLU CA C 26 59.105 58.244 0.861 1
1 342 . 13 1 1 A 26 26 GLU CB C 26 29.025 28.312 0.713 1
1 344 . 13 1 1 A 26 26 GLU N N 26 119.262 119.402 -0.140 1
1 345 . 13 1 1 A 27 27 HIS H H 27 7.815 7.802 0.013 1
1 346 . 13 1 1 A 27 27 HIS HA H 27 4.183 4.291 -0.108 1
1 349 . 13 1 1 A 27 27 HIS C C 27 175.618 176.477 -0.859 1
1 350 . 13 1 1 A 27 27 HIS CA C 27 58.932 59.059 -0.127 1
1 351 . 13 1 1 A 27 27 HIS CB C 27 29.358 30.436 -1.078 1
1 352 . 13 1 1 A 27 27 HIS N N 27 114.100 120.366 -6.266 1
1 353 . 13 1 1 A 28 28 TYR H H 28 8.628 8.383 0.245 1
1 354 . 13 1 1 A 28 28 TYR HA H 28 4.424 4.278 0.146 1
1 361 . 13 1 1 A 28 28 TYR C C 28 177.445 176.305 1.140 1
1 362 . 13 1 1 A 28 28 TYR CA C 28 60.294 61.012 -0.718 1
1 363 . 13 1 1 A 28 28 TYR CB C 28 40.851 38.963 1.888 1
1 368 . 13 1 1 A 28 28 TYR N N 28 113.706 114.942 -1.236 1
1 369 . 13 1 1 A 29 29 GLY H H 29 7.713 7.348 0.365 1
1 370 . 13 1 1 A 29 29 GLY HA2 H 29 4.366 3.967 0.399 1
1 371 . 13 1 1 A 29 29 GLY HA3 H 29 3.846 4.118 -0.272 1
1 372 . 13 1 1 A 29 29 GLY C C 29 172.549 174.926 -2.377 1
1 373 . 13 1 1 A 29 29 GLY CA C 29 44.258 44.257 0.001 1
1 374 . 13 1 1 A 29 29 GLY N N 29 107.840 104.220 3.620 1
1 375 . 13 1 1 A 30 30 TRP H H 30 7.960 8.846 -0.886 1
1 376 . 13 1 1 A 30 30 TRP HA H 30 4.136 4.155 -0.019 1
1 385 . 13 1 1 A 30 30 TRP C C 30 178.090 178.864 -0.774 1
1 386 . 13 1 1 A 30 30 TRP CA C 30 60.502 59.516 0.986 1
1 387 . 13 1 1 A 30 30 TRP CB C 30 30.304 28.838 1.466 1
1 393 . 13 1 1 A 30 30 TRP N N 30 118.175 122.307 -4.132 1
1 395 . 13 1 1 A 31 31 GLU H H 31 8.549 8.423 0.126 1
1 396 . 13 1 1 A 31 31 GLU HA H 31 3.992 3.783 0.209 1
1 401 . 13 1 1 A 31 31 GLU C C 31 179.942 179.202 0.740 1
1 402 . 13 1 1 A 31 31 GLU CA C 31 60.090 59.938 0.152 1
1 403 . 13 1 1 A 31 31 GLU CB C 31 28.474 29.368 -0.894 1
1 405 . 13 1 1 A 31 31 GLU N N 31 118.099 119.146 -1.047 1
1 406 . 13 1 1 A 32 32 GLU H H 32 8.962 8.319 0.643 1
1 407 . 13 1 1 A 32 32 GLU HA H 32 4.137 4.261 -0.124 1
1 412 . 13 1 1 A 32 32 GLU C C 32 179.651 179.205 0.446 1
1 413 . 13 1 1 A 32 32 GLU CA C 32 58.745 59.300 -0.555 1
1 414 . 13 1 1 A 32 32 GLU CB C 32 28.145 29.411 -1.266 1
1 416 . 13 1 1 A 32 32 GLU N N 32 120.094 120.342 -0.248 1
1 417 . 13 1 1 A 33 33 LEU H H 33 7.748 8.000 -0.252 1
1 418 . 13 1 1 A 33 33 LEU HA H 33 3.922 3.849 0.073 1
1 428 . 13 1 1 A 33 33 LEU C C 33 178.833 179.033 -0.200 1
1 429 . 13 1 1 A 33 33 LEU CA C 33 58.577 57.733 0.844 1
1 430 . 13 1 1 A 33 33 LEU CB C 33 41.269 40.851 0.418 1
1 434 . 13 1 1 A 33 33 LEU N N 33 118.890 120.530 -1.640 1
1 435 . 13 1 1 A 34 34 SER H H 34 8.607 7.960 0.647 1
1 436 . 13 1 1 A 34 34 SER HA H 34 4.642 4.589 0.053 1
1 439 . 13 1 1 A 34 34 SER C C 34 175.346 175.438 -0.092 1
1 440 . 13 1 1 A 34 34 SER CA C 34 61.247 61.369 -0.122 1
1 441 . 13 1 1 A 34 34 SER CB C 34 63.043 63.073 -0.030 1
1 442 . 13 1 1 A 34 34 SER N N 34 114.464 114.711 -0.247 1
1 443 . 13 1 1 A 35 35 TYR H H 35 7.395 7.696 -0.301 1
1 444 . 13 1 1 A 35 35 TYR HA H 35 4.537 4.475 0.062 1
1 451 . 13 1 1 A 35 35 TYR C C 35 177.940 178.842 -0.902 1
1 452 . 13 1 1 A 35 35 TYR CA C 35 58.907 60.490 -1.583 1
1 453 . 13 1 1 A 35 35 TYR CB C 35 37.852 39.030 -1.178 1
1 458 . 13 1 1 A 35 35 TYR N N 35 120.804 119.579 1.225 1
1 459 . 13 1 1 A 36 36 MET H H 36 7.840 8.216 -0.376 1
1 460 . 13 1 1 A 36 36 MET HA H 36 4.158 4.287 -0.129 1
1 468 . 13 1 1 A 36 36 MET C C 36 177.049 176.293 0.756 1
1 469 . 13 1 1 A 36 36 MET CA C 36 58.684 58.551 0.133 1
1 470 . 13 1 1 A 36 36 MET CB C 36 34.927 32.981 1.946 1
1 473 . 13 1 1 A 36 36 MET N N 36 118.425 118.490 -0.065 1
1 474 . 13 1 1 A 37 37 VAL H H 37 8.469 8.210 0.259 1
1 475 . 13 1 1 A 37 37 VAL HA H 37 4.265 4.284 -0.019 1
1 483 . 13 1 1 A 37 37 VAL C C 37 173.959 174.869 -0.910 1
1 484 . 13 1 1 A 37 37 VAL CA C 37 61.621 61.797 -0.176 1
1 485 . 13 1 1 A 37 37 VAL CB C 37 32.527 31.948 0.579 1
1 488 . 13 1 1 A 37 37 VAL N N 37 117.997 119.008 -1.011 1
1 489 . 13 1 1 A 38 38 ASN H H 38 8.677 9.227 -0.550 1
1 490 . 13 1 1 A 38 38 ASN HA H 38 4.948 5.176 -0.228 1
1 495 . 13 1 1 A 38 38 ASN C C 38 174.710 174.567 0.143 1
1 496 . 13 1 1 A 38 38 ASN CA C 38 53.444 52.868 0.576 1
1 497 . 13 1 1 A 38 38 ASN CB C 38 37.001 37.750 -0.749 1
1 499 . 13 1 1 A 38 38 ASN N N 38 123.121 126.739 -3.618 1
1 501 . 13 1 1 A 39 39 ILE H H 39 7.744 8.537 -0.793 1
1 502 . 13 1 1 A 39 39 ILE HA H 39 4.655 4.851 -0.196 1
1 512 . 13 1 1 A 39 39 ILE C C 39 176.996 174.039 2.957 1
1 513 . 13 1 1 A 39 39 ILE CA C 39 59.201 58.619 0.582 1
1 514 . 13 1 1 A 39 39 ILE CB C 39 40.558 41.308 -0.750 1
1 518 . 13 1 1 A 39 39 ILE N N 39 115.722 122.043 -6.321 1
1 519 . 13 1 1 A 40 40 ASN H H 40 8.881 8.734 0.147 1
1 520 . 13 1 1 A 40 40 ASN HA H 40 4.192 4.649 -0.457 1
1 525 . 13 1 1 A 40 40 ASN C C 40 177.705 174.389 3.316 1
1 526 . 13 1 1 A 40 40 ASN CA C 40 56.883 52.263 4.620 1
1 527 . 13 1 1 A 40 40 ASN CB C 40 38.313 37.163 1.150 1
1 529 . 13 1 1 A 40 40 ASN N N 40 124.600 123.915 0.685 1
1 531 . 13 1 1 A 41 41 CYS H H 41 8.034 8.241 -0.207 1
1 532 . 13 1 1 A 41 41 CYS HA H 41 4.373 4.401 -0.028 1
1 535 . 13 1 1 A 41 41 CYS C C 41 174.303 176.097 -1.794 1
1 536 . 13 1 1 A 41 41 CYS CA C 41 59.164 60.209 -1.045 1
1 537 . 13 1 1 A 41 41 CYS CB C 41 26.126 28.968 -2.842 1
1 538 . 13 1 1 A 41 41 CYS N N 41 115.097 124.082 -8.985 1
1 539 . 13 1 1 A 42 42 PHE H H 42 7.031 7.966 -0.935 1
1 540 . 13 1 1 A 42 42 PHE HA H 42 4.937 4.385 0.552 1
1 548 . 13 1 1 A 42 42 PHE C C 42 174.437 178.197 -3.760 1
1 549 . 13 1 1 A 42 42 PHE CA C 42 54.439 61.084 -6.645 1
1 550 . 13 1 1 A 42 42 PHE CB C 42 38.059 38.629 -0.570 1
1 556 . 13 1 1 A 42 42 PHE N N 42 117.304 119.342 -2.038 1
1 557 . 13 1 1 A 43 43 LYS H H 43 7.371 7.580 -0.209 1
1 558 . 13 1 1 A 43 43 LYS HA H 43 4.304 4.275 0.029 1
1 567 . 13 1 1 A 43 43 LYS C C 43 175.800 177.142 -1.342 1
1 568 . 13 1 1 A 43 43 LYS CA C 43 57.474 58.089 -0.615 1
1 569 . 13 1 1 A 43 43 LYS CB C 43 34.978 33.003 1.975 1
1 573 . 13 1 1 A 43 43 LYS N N 43 116.029 117.555 -1.526 1
1 574 . 13 1 1 A 44 44 LYS H H 44 7.593 7.407 0.186 1
1 575 . 13 1 1 A 44 44 LYS HA H 44 4.302 4.158 0.144 1
1 584 . 13 1 1 A 44 44 LYS C C 44 173.608 175.792 -2.184 1
1 585 . 13 1 1 A 44 44 LYS CA C 44 55.169 55.691 -0.522 1
1 586 . 13 1 1 A 44 44 LYS CB C 44 33.123 33.378 -0.255 1
1 590 . 13 1 1 A 44 44 LYS N N 44 119.851 120.553 -0.702 1
1 591 . 13 1 1 A 45 45 ASP H H 45 8.774 8.972 -0.198 1
1 592 . 13 1 1 A 45 45 ASP HA H 45 4.200 4.125 0.075 1
1 595 . 13 1 1 A 45 45 ASP C C 45 172.128 174.918 -2.790 1
1 596 . 13 1 1 A 45 45 ASP CA C 45 53.963 54.737 -0.774 1
1 597 . 13 1 1 A 45 45 ASP CB C 45 40.263 39.196 1.067 1
1 598 . 13 1 1 A 45 45 ASP N N 45 122.276 126.256 -3.980 1
1 599 . 13 1 1 A 46 46 PRO HA H 46 3.930 3.403 0.527 1
1 606 . 13 1 1 A 46 46 PRO C C 46 176.968 174.613 2.355 1
1 607 . 13 1 1 A 46 46 PRO CA C 46 62.964 61.727 1.237 1
1 608 . 13 1 1 A 46 46 PRO CB C 46 30.892 28.830 2.062 1
1 611 . 13 1 1 A 47 47 SER H H 47 8.018 8.071 -0.053 1
1 612 . 13 1 1 A 47 47 SER HA H 47 4.676 5.009 -0.333 1
1 615 . 13 1 1 A 47 47 SER C C 47 175.465 174.866 0.599 1
1 616 . 13 1 1 A 47 47 SER CA C 47 57.014 56.653 0.361 1
1 617 . 13 1 1 A 47 47 SER CB C 47 66.436 65.351 1.085 1
1 618 . 13 1 1 A 47 47 SER N N 47 112.273 117.783 -5.510 1
1 619 . 13 1 1 A 48 48 ILE H H 48 9.489 9.180 0.309 1
1 620 . 13 1 1 A 48 48 ILE HA H 48 4.013 4.129 -0.116 1
1 630 . 13 1 1 A 48 48 ILE C C 48 177.681 177.612 0.069 1
1 631 . 13 1 1 A 48 48 ILE CA C 48 64.456 65.731 -1.275 1
1 632 . 13 1 1 A 48 48 ILE CB C 48 36.382 37.689 -1.307 1
1 636 . 13 1 1 A 48 48 ILE N N 48 126.826 128.940 -2.114 1
1 637 . 13 1 1 A 49 49 LYS H H 49 8.735 8.133 0.602 1
1 638 . 13 1 1 A 49 49 LYS HA H 49 3.984 4.184 -0.200 1
1 647 . 13 1 1 A 49 49 LYS C C 49 179.784 179.175 0.609 1
1 648 . 13 1 1 A 49 49 LYS CA C 49 60.562 59.475 1.087 1
1 649 . 13 1 1 A 49 49 LYS CB C 49 32.533 31.833 0.700 1
1 653 . 13 1 1 A 49 49 LYS N N 49 118.592 120.198 -1.606 1
1 654 . 13 1 1 A 50 50 SER H H 50 8.065 7.739 0.326 1
1 655 . 13 1 1 A 50 50 SER HA H 50 4.270 4.155 0.115 1
1 658 . 13 1 1 A 50 50 SER C C 50 178.135 177.368 0.767 1
1 659 . 13 1 1 A 50 50 SER CA C 50 61.431 61.565 -0.134 1
1 660 . 13 1 1 A 50 50 SER CB C 50 62.672 62.926 -0.254 1
1 661 . 13 1 1 A 50 50 SER N N 50 114.354 115.975 -1.621 1
1 662 . 13 1 1 A 51 51 SER H H 51 8.300 7.699 0.601 1
1 663 . 13 1 1 A 51 51 SER HA H 51 4.681 4.341 0.340 1
1 666 . 13 1 1 A 51 51 SER C C 51 176.245 175.960 0.285 1
1 667 . 13 1 1 A 51 51 SER CA C 51 63.327 62.356 0.971 1
1 668 . 13 1 1 A 51 51 SER CB C 51 64.340 63.084 1.256 1
1 669 . 13 1 1 A 51 51 SER N N 51 120.855 117.614 3.241 1
1 670 . 13 1 1 A 52 52 LEU H H 52 8.849 8.391 0.458 1
1 671 . 13 1 1 A 52 52 LEU HA H 52 3.902 3.976 -0.074 1
1 681 . 13 1 1 A 52 52 LEU C C 52 178.339 178.848 -0.509 1
1 682 . 13 1 1 A 52 52 LEU CA C 52 58.600 58.098 0.502 1
1 683 . 13 1 1 A 52 52 LEU CB C 52 41.685 41.512 0.173 1
1 687 . 13 1 1 A 52 52 LEU N N 52 122.627 120.992 1.635 1
1 688 . 13 1 1 A 53 53 LYS H H 53 7.268 7.495 -0.227 1
1 689 . 13 1 1 A 53 53 LYS HA H 53 3.957 4.130 -0.173 1
1 698 . 13 1 1 A 53 53 LYS C C 53 178.750 177.731 1.019 1
1 699 . 13 1 1 A 53 53 LYS CA C 53 59.867 58.593 1.274 1
1 700 . 13 1 1 A 53 53 LYS CB C 53 32.475 32.693 -0.218 1
1 704 . 13 1 1 A 53 53 LYS N N 53 117.100 116.967 0.133 1
1 705 . 13 1 1 A 54 54 PHE H H 54 7.388 8.147 -0.759 1
1 706 . 13 1 1 A 54 54 PHE HA H 54 4.167 4.257 -0.090 1
1 714 . 13 1 1 A 54 54 PHE C C 54 178.975 177.336 1.639 1
1 715 . 13 1 1 A 54 54 PHE CA C 54 61.515 60.760 0.755 1
1 716 . 13 1 1 A 54 54 PHE CB C 54 39.619 39.603 0.016 1
1 722 . 13 1 1 A 54 54 PHE N N 54 117.704 122.215 -4.511 1
1 723 . 13 1 1 A 55 55 LEU H H 55 9.142 8.652 0.490 1
1 724 . 13 1 1 A 55 55 LEU HA H 55 3.720 3.767 -0.047 1
1 734 . 13 1 1 A 55 55 LEU C C 55 178.763 179.308 -0.545 1
1 735 . 13 1 1 A 55 55 LEU CA C 55 57.656 57.754 -0.098 1
1 736 . 13 1 1 A 55 55 LEU CB C 55 42.837 41.281 1.556 1
1 740 . 13 1 1 A 55 55 LEU N N 55 120.396 119.276 1.120 1
1 741 . 13 1 1 A 56 56 ARG H H 56 8.338 9.158 -0.820 1
1 742 . 13 1 1 A 56 56 ARG HA H 56 3.855 4.113 -0.258 1
1 750 . 13 1 1 A 56 56 ARG C C 56 176.697 177.108 -0.411 1
1 751 . 13 1 1 A 56 56 ARG CA C 56 59.452 57.795 1.657 1
1 752 . 13 1 1 A 56 56 ARG CB C 56 30.239 28.860 1.379 1
1 755 . 13 1 1 A 56 56 ARG N N 56 116.866 118.057 -1.191 1
1 757 . 13 1 1 A 57 57 LYS H H 57 6.770 7.600 -0.830 1
1 758 . 13 1 1 A 57 57 LYS HA H 57 4.542 4.465 0.077 1
1 767 . 13 1 1 A 57 57 LYS C C 57 176.148 176.177 -0.029 1
1 768 . 13 1 1 A 57 57 LYS CA C 57 55.545 56.877 -1.332 1
1 769 . 13 1 1 A 57 57 LYS CB C 57 33.805 34.093 -0.288 1
1 773 . 13 1 1 A 57 57 LYS N N 57 113.205 114.981 -1.776 1
1 774 . 13 1 1 A 58 58 THR H H 58 6.908 7.488 -0.580 1
1 775 . 13 1 1 A 58 58 THR HA H 58 4.212 4.181 0.031 1
1 780 . 13 1 1 A 58 58 THR C C 58 173.643 174.432 -0.789 1
1 781 . 13 1 1 A 58 58 THR CA C 58 60.688 62.841 -2.153 1
1 782 . 13 1 1 A 58 58 THR CB C 58 67.557 67.427 0.130 1
1 784 . 13 1 1 A 58 58 THR N N 58 117.915 113.640 4.275 1
1 785 . 13 1 1 A 59 59 ASP H H 59 8.789 8.628 0.161 1
1 786 . 13 1 1 A 59 59 ASP HA H 59 4.128 4.177 -0.049 1
1 789 . 13 1 1 A 59 59 ASP C C 59 178.565 177.824 0.741 1
1 790 . 13 1 1 A 59 59 ASP CA C 59 58.506 57.337 1.169 1
1 791 . 13 1 1 A 59 59 ASP CB C 59 39.530 41.642 -2.112 1
1 792 . 13 1 1 A 59 59 ASP N N 59 128.511 127.419 1.092 1
1 793 . 13 1 1 A 60 60 TRP H H 60 8.638 8.375 0.263 1
1 794 . 13 1 1 A 60 60 TRP HA H 60 4.375 4.537 -0.162 1
1 803 . 13 1 1 A 60 60 TRP C C 60 178.277 178.417 -0.140 1
1 804 . 13 1 1 A 60 60 TRP CA C 60 59.183 59.662 -0.479 1
1 805 . 13 1 1 A 60 60 TRP CB C 60 26.962 27.742 -0.780 1
1 811 . 13 1 1 A 60 60 TRP N N 60 117.515 118.997 -1.482 1
1 813 . 13 1 1 A 61 61 ALA H H 61 5.533 7.669 -2.136 1
1 814 . 13 1 1 A 61 61 ALA HA H 61 3.414 3.831 -0.417 1
1 818 . 13 1 1 A 61 61 ALA C C 61 177.616 179.473 -1.857 1
1 819 . 13 1 1 A 61 61 ALA CA C 61 54.478 54.929 -0.451 1
1 820 . 13 1 1 A 61 61 ALA CB C 61 17.904 17.836 0.068 1
1 821 . 13 1 1 A 61 61 ALA N N 61 125.465 123.888 1.577 1
1 822 . 13 1 1 A 62 62 ARG H H 62 7.811 7.814 -0.003 1
1 823 . 13 1 1 A 62 62 ARG HA H 62 3.617 3.941 -0.324 1
1 831 . 13 1 1 A 62 62 ARG C C 62 177.918 178.745 -0.827 1
1 832 . 13 1 1 A 62 62 ARG CA C 62 60.708 59.873 0.835 1
1 833 . 13 1 1 A 62 62 ARG CB C 62 29.156 29.997 -0.841 1
1 836 . 13 1 1 A 62 62 ARG N N 62 120.420 117.682 2.738 1
1 838 . 13 1 1 A 63 63 GLU H H 63 8.412 8.130 0.282 1
1 839 . 13 1 1 A 63 63 GLU HA H 63 4.041 4.113 -0.072 1
1 844 . 13 1 1 A 63 63 GLU C C 63 178.935 178.285 0.650 1
1 845 . 13 1 1 A 63 63 GLU CA C 63 59.509 59.291 0.218 1
1 846 . 13 1 1 A 63 63 GLU CB C 63 28.759 29.286 -0.527 1
1 848 . 13 1 1 A 63 63 GLU N N 63 117.144 117.897 -0.753 1
1 849 . 13 1 1 A 64 64 ARG H H 64 7.603 7.933 -0.330 1
1 850 . 13 1 1 A 64 64 ARG HA H 64 4.256 4.215 0.041 1
1 858 . 13 1 1 A 64 64 ARG C C 64 179.133 178.908 0.225 1
1 859 . 13 1 1 A 64 64 ARG CA C 64 59.340 58.785 0.555 1
1 860 . 13 1 1 A 64 64 ARG CB C 64 30.067 29.769 0.298 1
1 863 . 13 1 1 A 64 64 ARG N N 64 118.298 119.329 -1.031 1
1 865 . 13 1 1 A 65 65 VAL H H 65 8.065 8.000 0.065 1
1 866 . 13 1 1 A 65 65 VAL HA H 65 3.713 3.504 0.209 1
1 874 . 13 1 1 A 65 65 VAL C C 65 177.638 178.055 -0.417 1
1 875 . 13 1 1 A 65 65 VAL CA C 65 66.891 66.202 0.689 1
1 876 . 13 1 1 A 65 65 VAL CB C 65 31.480 31.846 -0.366 1
1 879 . 13 1 1 A 65 65 VAL N N 65 117.270 120.787 -3.517 1
1 880 . 13 1 1 A 66 66 GLU H H 66 8.583 9.011 -0.428 1
1 881 . 13 1 1 A 66 66 GLU HA H 66 3.912 3.981 -0.069 1
1 886 . 13 1 1 A 66 66 GLU C C 66 178.380 179.147 -0.767 1
1 887 . 13 1 1 A 66 66 GLU CA C 66 60.256 59.973 0.283 1
1 888 . 13 1 1 A 66 66 GLU CB C 66 28.691 29.103 -0.412 1
1 890 . 13 1 1 A 66 66 GLU N N 66 119.924 119.060 0.864 1
1 891 . 13 1 1 A 67 67 ASN H H 67 8.267 8.253 0.014 1
1 892 . 13 1 1 A 67 67 ASN HA H 67 4.567 4.493 0.074 1
1 897 . 13 1 1 A 67 67 ASN C C 67 178.338 177.860 0.478 1
1 898 . 13 1 1 A 67 67 ASN CA C 67 56.900 56.962 -0.062 1
1 899 . 13 1 1 A 67 67 ASN CB C 67 38.802 39.348 -0.546 1
1 901 . 13 1 1 A 67 67 ASN N N 67 117.574 117.456 0.118 1
1 903 . 13 1 1 A 68 68 ILE H H 68 8.132 7.567 0.565 1
1 904 . 13 1 1 A 68 68 ILE HA H 68 3.726 3.615 0.111 1
1 914 . 13 1 1 A 68 68 ILE C C 68 178.722 178.177 0.545 1
1 915 . 13 1 1 A 68 68 ILE CA C 68 65.388 65.370 0.018 1
1 916 . 13 1 1 A 68 68 ILE CB C 68 37.841 37.326 0.515 1
1 920 . 13 1 1 A 68 68 ILE N N 68 121.125 119.270 1.855 1
1 921 . 13 1 1 A 69 69 TYR H H 69 8.146 8.190 -0.044 1
1 922 . 13 1 1 A 69 69 TYR HA H 69 4.058 4.181 -0.123 1
1 929 . 13 1 1 A 69 69 TYR C C 69 177.061 177.312 -0.251 1
1 930 . 13 1 1 A 69 69 TYR CA C 69 62.828 61.580 1.248 1
1 931 . 13 1 1 A 69 69 TYR CB C 69 38.747 38.837 -0.090 1
1 936 . 13 1 1 A 69 69 TYR N N 69 121.378 121.741 -0.363 1
1 937 . 13 1 1 A 70 70 LEU H H 70 8.630 8.495 0.135 1
1 938 . 13 1 1 A 70 70 LEU HA H 70 3.875 3.918 -0.043 1
1 948 . 13 1 1 A 70 70 LEU C C 70 179.755 179.324 0.431 1
1 949 . 13 1 1 A 70 70 LEU CA C 70 58.230 58.263 -0.033 1
1 950 . 13 1 1 A 70 70 LEU CB C 70 41.733 41.355 0.378 1
1 954 . 13 1 1 A 70 70 LEU N N 70 120.179 119.588 0.591 1
1 955 . 13 1 1 A 71 71 LYS H H 71 7.950 8.149 -0.199 1
1 956 . 13 1 1 A 71 71 LYS HA H 71 3.957 3.957 0.000 1
1 965 . 13 1 1 A 71 71 LYS C C 71 178.961 179.061 -0.100 1
1 966 . 13 1 1 A 71 71 LYS CA C 71 59.684 59.863 -0.179 1
1 967 . 13 1 1 A 71 71 LYS CB C 71 32.421 32.283 0.138 1
1 971 . 13 1 1 A 71 71 LYS N N 71 118.820 118.140 0.680 1
1 972 . 13 1 1 A 72 72 LEU H H 72 7.731 7.930 -0.199 1
1 973 . 13 1 1 A 72 72 LEU HA H 72 4.037 4.215 -0.178 1
1 983 . 13 1 1 A 72 72 LEU C C 72 178.533 178.377 0.156 1
1 984 . 13 1 1 A 72 72 LEU CA C 72 57.352 57.495 -0.143 1
1 985 . 13 1 1 A 72 72 LEU CB C 72 41.406 41.712 -0.306 1
1 989 . 13 1 1 A 72 72 LEU N N 72 121.367 121.686 -0.319 1
1 990 . 13 1 1 A 73 73 GLN H H 73 7.884 8.342 -0.458 1
1 991 . 13 1 1 A 73 73 GLN HA H 73 3.852 3.767 0.085 1
1 998 . 13 1 1 A 73 73 GLN C C 73 177.679 178.117 -0.438 1
1 999 . 13 1 1 A 73 73 GLN CA C 73 57.026 59.410 -2.384 1
1 1000 . 13 1 1 A 73 73 GLN CB C 73 28.148 28.215 -0.067 1
1 1003 . 13 1 1 A 73 73 GLN N N 73 116.639 118.019 -1.380 1
1 1005 . 13 1 1 A 74 74 ARG H H 74 7.725 7.876 -0.151 1
1 1006 . 13 1 1 A 74 74 ARG HA H 74 4.136 4.054 0.082 1
1 1013 . 13 1 1 A 74 74 ARG C C 74 177.235 177.017 0.218 1
1 1014 . 13 1 1 A 74 74 ARG CA C 74 57.452 57.769 -0.317 1
1 1015 . 13 1 1 A 74 74 ARG CB C 74 30.308 29.316 0.992 1
1 1018 . 13 1 1 A 74 74 ARG N N 74 118.122 118.683 -0.561 1
1 1019 . 13 1 1 A 75 75 HIS H H 75 7.982 7.700 0.282 1
1 1020 . 13 1 1 A 75 75 HIS HA H 75 4.564 4.536 0.028 1
1 1023 . 13 1 1 A 75 75 HIS C C 75 175.202 174.945 0.257 1
1 1024 . 13 1 1 A 75 75 HIS CA C 75 56.587 57.298 -0.711 1
1 1025 . 13 1 1 A 75 75 HIS CB C 75 28.477 30.698 -2.221 1
1 1026 . 13 1 1 A 75 75 HIS N N 75 117.995 116.761 1.234 1
1 1027 . 13 1 1 A 76 76 LYS H H 76 8.180 7.847 0.333 1
1 1028 . 13 1 1 A 76 76 LYS HA H 76 4.148 4.034 0.114 1
1 1037 . 13 1 1 A 76 76 LYS C C 76 177.303 176.622 0.681 1
1 1038 . 13 1 1 A 76 76 LYS CA C 76 57.550 56.420 1.130 1
1 1039 . 13 1 1 A 76 76 LYS CB C 76 32.789 32.550 0.239 1
1 1043 . 13 1 1 A 76 76 LYS N N 76 121.510 121.684 -0.174 1
1 1044 . 13 1 1 A 77 77 GLU H H 77 8.321 8.578 -0.257 1
1 1045 . 13 1 1 A 77 77 GLU HA H 77 4.224 4.354 -0.130 1
1 1050 . 13 1 1 A 77 77 GLU C C 77 177.067 176.533 0.534 1
1 1051 . 13 1 1 A 77 77 GLU CA C 77 56.991 57.026 -0.035 1
1 1052 . 13 1 1 A 77 77 GLU CB C 77 29.841 29.883 -0.042 1
1 1054 . 13 1 1 A 77 77 GLU N N 77 120.860 126.606 -5.746 1
1 1055 . 13 1 1 A 78 78 ARG H H 78 8.228 7.933 0.295 1
1 1056 . 13 1 1 A 78 78 ARG HA H 78 4.240 4.139 0.101 1
1 1063 . 13 1 1 A 78 78 ARG C C 78 176.577 176.335 0.242 1
1 1064 . 13 1 1 A 78 78 ARG CA C 78 56.786 56.919 -0.133 1
1 1065 . 13 1 1 A 78 78 ARG CB C 78 30.413 30.497 -0.084 1
1 1068 . 13 1 1 A 78 78 ARG N N 78 121.081 123.100 -2.019 1
1 1069 . 13 1 1 A 79 79 ASN H H 79 8.333 8.558 -0.225 1
1 1070 . 13 1 1 A 79 79 ASN HA H 79 4.617 4.594 0.023 1
1 1075 . 13 1 1 A 79 79 ASN C C 79 175.605 175.216 0.389 1
1 1076 . 13 1 1 A 79 79 ASN CA C 79 53.938 53.719 0.219 1
1 1077 . 13 1 1 A 79 79 ASN CB C 79 38.748 38.270 0.478 1
1 1079 . 13 1 1 A 79 79 ASN N N 79 118.880 123.594 -4.714 1
1 1081 . 13 1 1 A 80 80 GLN H H 80 8.285 8.799 -0.514 1
1 1082 . 13 1 1 A 80 80 GLN HA H 80 4.253 4.761 -0.508 1
1 1089 . 13 1 1 A 80 80 GLN C C 80 176.304 174.753 1.551 1
1 1090 . 13 1 1 A 80 80 GLN CA C 80 56.545 54.972 1.573 1
1 1091 . 13 1 1 A 80 80 GLN CB C 80 29.274 29.964 -0.690 1
1 1094 . 13 1 1 A 80 80 GLN N N 80 120.222 124.709 -4.487 1
1 1096 . 13 1 1 A 81 81 LEU H H 81 8.130 8.978 -0.848 1
1 1097 . 13 1 1 A 81 81 LEU HA H 81 4.222 5.013 -0.791 1
1 1107 . 13 1 1 A 81 81 LEU C C 81 177.542 176.498 1.044 1
1 1108 . 13 1 1 A 81 81 LEU CA C 81 55.736 53.295 2.441 1
1 1109 . 13 1 1 A 81 81 LEU CB C 81 42.196 44.896 -2.700 1
1 1113 . 13 1 1 A 81 81 LEU N N 81 122.119 128.603 -6.484 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.081 4.553 -0.472 1
1 5 . 14 1 1 A 2 2 ALA C C 2 173.423 177.170 -3.747 1
1 6 . 14 1 1 A 2 2 ALA CA C 2 51.798 50.792 1.006 1
1 7 . 14 1 1 A 2 2 ALA CB C 2 19.502 20.176 -0.674 1
1 8 . 14 1 1 A 3 3 LEU H H 3 8.547 9.085 -0.538 1
1 9 . 14 1 1 A 3 3 LEU HA H 3 4.394 4.444 -0.050 1
1 19 . 14 1 1 A 3 3 LEU C C 3 176.779 176.876 -0.097 1
1 20 . 14 1 1 A 3 3 LEU CA C 3 55.226 55.921 -0.695 1
1 21 . 14 1 1 A 3 3 LEU CB C 3 42.472 43.060 -0.588 1
1 25 . 14 1 1 A 3 3 LEU N N 3 122.089 124.624 -2.535 1
1 26 . 14 1 1 A 4 4 ILE H H 4 8.319 7.594 0.725 1
1 27 . 14 1 1 A 4 4 ILE HA H 4 4.167 4.558 -0.391 1
1 37 . 14 1 1 A 4 4 ILE C C 4 176.138 174.194 1.944 1
1 38 . 14 1 1 A 4 4 ILE CA C 4 60.894 60.396 0.498 1
1 39 . 14 1 1 A 4 4 ILE CB C 4 38.595 41.338 -2.743 1
1 43 . 14 1 1 A 4 4 ILE N N 4 123.468 118.277 5.191 1
1 44 . 14 1 1 A 5 5 MET H H 5 8.574 8.867 -0.293 1
1 45 . 14 1 1 A 5 5 MET HA H 5 4.584 4.792 -0.208 1
1 50 . 14 1 1 A 5 5 MET C C 5 176.274 175.932 0.342 1
1 51 . 14 1 1 A 5 5 MET CA C 5 55.348 54.399 0.949 1
1 52 . 14 1 1 A 5 5 MET CB C 5 32.961 33.307 -0.346 1
1 54 . 14 1 1 A 5 5 MET N N 5 125.527 126.490 -0.963 1
1 55 . 14 1 1 A 6 6 THR H H 6 8.172 7.454 0.718 1
1 56 . 14 1 1 A 6 6 THR HA H 6 4.331 4.086 0.245 1
1 61 . 14 1 1 A 6 6 THR C C 6 174.578 174.379 0.199 1
1 62 . 14 1 1 A 6 6 THR CA C 6 61.849 64.484 -2.635 1
1 63 . 14 1 1 A 6 6 THR CB C 6 69.904 69.174 0.730 1
1 65 . 14 1 1 A 6 6 THR N N 6 115.487 116.406 -0.919 1
1 66 . 14 1 1 A 7 7 GLN H H 7 8.461 8.839 -0.378 1
1 67 . 14 1 1 A 7 7 GLN HA H 7 4.317 5.196 -0.879 1
1 74 . 14 1 1 A 7 7 GLN C C 7 176.108 174.105 2.003 1
1 75 . 14 1 1 A 7 7 GLN CA C 7 56.149 54.188 1.961 1
1 76 . 14 1 1 A 7 7 GLN CB C 7 29.491 32.225 -2.734 1
1 79 . 14 1 1 A 7 7 GLN N N 7 122.199 126.122 -3.923 1
1 81 . 14 1 1 A 8 8 GLN H H 8 8.418 8.923 -0.505 1
1 82 . 14 1 1 A 8 8 GLN HA H 8 4.219 4.943 -0.724 1
1 89 . 14 1 1 A 8 8 GLN C C 8 175.704 174.890 0.814 1
1 90 . 14 1 1 A 8 8 GLN CA C 8 56.112 54.258 1.854 1
1 91 . 14 1 1 A 8 8 GLN CB C 8 29.435 31.478 -2.043 1
1 94 . 14 1 1 A 8 8 GLN N N 8 121.100 123.517 -2.417 1
1 96 . 14 1 1 A 9 9 ASN H H 9 8.404 8.746 -0.342 1
1 97 . 14 1 1 A 9 9 ASN HA H 9 4.654 4.827 -0.173 1
1 102 . 14 1 1 A 9 9 ASN C C 9 174.445 175.125 -0.680 1
1 103 . 14 1 1 A 9 9 ASN CA C 9 53.190 53.191 -0.001 1
1 104 . 14 1 1 A 9 9 ASN CB C 9 38.913 38.938 -0.025 1
1 106 . 14 1 1 A 9 9 ASN N N 9 119.104 124.868 -5.764 1
1 108 . 14 1 1 A 10 10 ASN H H 10 8.306 9.109 -0.803 1
1 109 . 14 1 1 A 10 10 ASN HA H 10 4.964 4.388 0.576 1
1 114 . 14 1 1 A 10 10 ASN C C 10 174.315 175.060 -0.745 1
1 115 . 14 1 1 A 10 10 ASN CA C 10 51.318 53.941 -2.623 1
1 116 . 14 1 1 A 10 10 ASN CB C 10 38.992 36.745 2.247 1
1 118 . 14 1 1 A 10 10 ASN N N 10 119.847 116.112 3.735 1
1 120 . 14 1 1 A 11 11 PRO HA H 11 4.427 4.332 0.095 1
1 127 . 14 1 1 A 11 11 PRO C C 11 177.095 177.462 -0.367 1
1 128 . 14 1 1 A 11 11 PRO CA C 11 64.214 65.491 -1.277 1
1 129 . 14 1 1 A 11 11 PRO CB C 11 32.355 31.297 1.058 1
1 132 . 14 1 1 A 12 12 LEU H H 12 8.102 8.130 -0.028 1
1 133 . 14 1 1 A 12 12 LEU HA H 12 4.320 4.719 -0.399 1
1 143 . 14 1 1 A 12 12 LEU C C 12 177.341 178.443 -1.102 1
1 144 . 14 1 1 A 12 12 LEU CA C 12 54.883 54.184 0.699 1
1 145 . 14 1 1 A 12 12 LEU CB C 12 41.300 43.292 -1.992 1
1 149 . 14 1 1 A 12 12 LEU N N 12 117.525 115.355 2.170 1
1 150 . 14 1 1 A 13 13 HIS H H 13 8.004 8.107 -0.103 1
1 151 . 14 1 1 A 13 13 HIS HA H 13 4.453 4.366 0.087 1
1 154 . 14 1 1 A 13 13 HIS C C 13 175.375 175.620 -0.245 1
1 155 . 14 1 1 A 13 13 HIS CA C 13 56.796 58.636 -1.840 1
1 156 . 14 1 1 A 13 13 HIS CB C 13 28.248 30.887 -2.639 1
1 157 . 14 1 1 A 13 13 HIS N N 13 117.833 118.810 -0.977 1
1 158 . 14 1 1 A 14 14 GLY H H 14 8.530 7.429 1.101 1
1 159 . 14 1 1 A 14 14 GLY HA2 H 14 3.930 4.041 -0.111 1
1 160 . 14 1 1 A 14 14 GLY HA3 H 14 3.755 4.091 -0.336 1
1 161 . 14 1 1 A 14 14 GLY C C 14 173.536 172.995 0.541 1
1 162 . 14 1 1 A 14 14 GLY CA C 14 45.529 45.565 -0.036 1
1 163 . 14 1 1 A 14 14 GLY N N 14 110.385 105.976 4.409 1
1 164 . 14 1 1 A 15 15 ILE H H 15 7.563 8.600 -1.037 1
1 165 . 14 1 1 A 15 15 ILE HA H 15 4.392 4.003 0.389 1
1 175 . 14 1 1 A 15 15 ILE C C 15 174.878 176.886 -2.008 1
1 176 . 14 1 1 A 15 15 ILE CA C 15 60.102 62.027 -1.925 1
1 177 . 14 1 1 A 15 15 ILE CB C 15 39.383 37.969 1.414 1
1 181 . 14 1 1 A 15 15 ILE N N 15 120.363 125.692 -5.329 1
1 182 . 14 1 1 A 16 16 THR H H 16 7.643 8.410 -0.767 1
1 183 . 14 1 1 A 16 16 THR HA H 16 4.381 4.641 -0.260 1
1 188 . 14 1 1 A 16 16 THR C C 16 174.950 175.542 -0.592 1
1 189 . 14 1 1 A 16 16 THR CA C 16 60.355 60.772 -0.417 1
1 190 . 14 1 1 A 16 16 THR CB C 16 70.834 71.016 -0.182 1
1 192 . 14 1 1 A 16 16 THR N N 16 115.980 119.054 -3.074 1
1 193 . 14 1 1 A 17 17 LEU H H 17 8.712 8.767 -0.055 1
1 194 . 14 1 1 A 17 17 LEU HA H 17 4.029 3.989 0.040 1
1 204 . 14 1 1 A 17 17 LEU C C 17 178.125 177.788 0.337 1
1 205 . 14 1 1 A 17 17 LEU CA C 17 57.582 58.314 -0.732 1
1 206 . 14 1 1 A 17 17 LEU CB C 17 40.906 41.459 -0.553 1
1 210 . 14 1 1 A 17 17 LEU N N 17 123.337 123.580 -0.243 1
1 211 . 14 1 1 A 18 18 GLN H H 18 8.611 8.279 0.332 1
1 212 . 14 1 1 A 18 18 GLN HA H 18 3.774 4.010 -0.236 1
1 219 . 14 1 1 A 18 18 GLN C C 18 178.211 178.179 0.032 1
1 220 . 14 1 1 A 18 18 GLN CA C 18 60.388 59.038 1.350 1
1 221 . 14 1 1 A 18 18 GLN CB C 18 27.809 28.633 -0.824 1
1 224 . 14 1 1 A 18 18 GLN N N 18 116.423 118.806 -2.383 1
1 226 . 14 1 1 A 19 19 LYS H H 19 7.861 7.362 0.499 1
1 227 . 14 1 1 A 19 19 LYS HA H 19 3.957 4.044 -0.087 1
1 236 . 14 1 1 A 19 19 LYS C C 19 177.806 178.533 -0.727 1
1 237 . 14 1 1 A 19 19 LYS CA C 19 59.684 59.097 0.587 1
1 238 . 14 1 1 A 19 19 LYS CB C 19 32.300 31.976 0.324 1
1 242 . 14 1 1 A 19 19 LYS N N 19 123.583 119.600 3.983 1
1 243 . 14 1 1 A 20 20 LEU H H 20 8.223 8.149 0.074 1
1 244 . 14 1 1 A 20 20 LEU HA H 20 3.418 3.184 0.234 1
1 254 . 14 1 1 A 20 20 LEU C C 20 178.417 178.246 0.171 1
1 255 . 14 1 1 A 20 20 LEU CA C 20 59.301 57.949 1.352 1
1 256 . 14 1 1 A 20 20 LEU CB C 20 41.370 41.420 -0.050 1
1 260 . 14 1 1 A 20 20 LEU N N 20 121.397 120.538 0.859 1
1 261 . 14 1 1 A 21 21 LEU H H 21 8.649 8.308 0.341 1
1 262 . 14 1 1 A 21 21 LEU HA H 21 3.872 3.864 0.008 1
1 272 . 14 1 1 A 21 21 LEU C C 21 178.009 178.664 -0.655 1
1 273 . 14 1 1 A 21 21 LEU CA C 21 58.027 57.902 0.125 1
1 274 . 14 1 1 A 21 21 LEU CB C 21 42.279 41.411 0.868 1
1 278 . 14 1 1 A 21 21 LEU N N 21 118.999 119.618 -0.619 1
1 279 . 14 1 1 A 22 22 THR H H 22 8.025 7.962 0.063 1
1 280 . 14 1 1 A 22 22 THR HA H 22 3.592 3.745 -0.153 1
1 285 . 14 1 1 A 22 22 THR C C 22 176.358 176.019 0.339 1
1 286 . 14 1 1 A 22 22 THR CA C 22 67.879 66.881 0.998 1
1 287 . 14 1 1 A 22 22 THR CB C 22 68.717 68.697 0.020 1
1 289 . 14 1 1 A 22 22 THR N N 22 115.015 114.875 0.140 1
1 290 . 14 1 1 A 23 23 GLU H H 23 8.158 8.319 -0.161 1
1 291 . 14 1 1 A 23 23 GLU HA H 23 4.068 3.960 0.108 1
1 296 . 14 1 1 A 23 23 GLU C C 23 180.091 179.817 0.274 1
1 297 . 14 1 1 A 23 23 GLU CA C 23 59.845 59.325 0.520 1
1 298 . 14 1 1 A 23 23 GLU CB C 23 29.101 29.474 -0.373 1
1 300 . 14 1 1 A 23 23 GLU N N 23 120.691 119.394 1.297 1
1 301 . 14 1 1 A 24 24 LEU H H 24 8.121 7.918 0.203 1
1 302 . 14 1 1 A 24 24 LEU HA H 24 4.140 4.121 0.019 1
1 312 . 14 1 1 A 24 24 LEU C C 24 179.047 178.943 0.104 1
1 313 . 14 1 1 A 24 24 LEU CA C 24 58.438 57.999 0.439 1
1 314 . 14 1 1 A 24 24 LEU CB C 24 42.715 41.863 0.852 1
1 318 . 14 1 1 A 24 24 LEU N N 24 119.210 120.366 -1.156 1
1 319 . 14 1 1 A 25 25 VAL H H 25 8.577 8.236 0.341 1
1 320 . 14 1 1 A 25 25 VAL HA H 25 2.698 3.072 -0.374 1
1 328 . 14 1 1 A 25 25 VAL C C 25 179.143 178.014 1.129 1
1 329 . 14 1 1 A 25 25 VAL CA C 25 67.077 66.656 0.421 1
1 330 . 14 1 1 A 25 25 VAL CB C 25 31.127 30.855 0.272 1
1 333 . 14 1 1 A 25 25 VAL N N 25 122.036 118.742 3.294 1
1 334 . 14 1 1 A 26 26 GLU H H 26 8.216 8.359 -0.143 1
1 335 . 14 1 1 A 26 26 GLU HA H 26 3.858 3.767 0.091 1
1 340 . 14 1 1 A 26 26 GLU C C 26 177.409 178.624 -1.215 1
1 341 . 14 1 1 A 26 26 GLU CA C 26 59.105 59.426 -0.321 1
1 342 . 14 1 1 A 26 26 GLU CB C 26 29.025 29.124 -0.099 1
1 344 . 14 1 1 A 26 26 GLU N N 26 119.262 118.805 0.457 1
1 345 . 14 1 1 A 27 27 HIS H H 27 7.815 7.632 0.183 1
1 346 . 14 1 1 A 27 27 HIS HA H 27 4.183 4.429 -0.246 1
1 349 . 14 1 1 A 27 27 HIS C C 27 175.618 176.813 -1.195 1
1 350 . 14 1 1 A 27 27 HIS CA C 27 58.932 58.675 0.257 1
1 351 . 14 1 1 A 27 27 HIS CB C 27 29.358 30.936 -1.578 1
1 352 . 14 1 1 A 27 27 HIS N N 27 114.100 118.495 -4.395 1
1 353 . 14 1 1 A 28 28 TYR H H 28 8.628 8.250 0.378 1
1 354 . 14 1 1 A 28 28 TYR HA H 28 4.424 4.440 -0.016 1
1 361 . 14 1 1 A 28 28 TYR C C 28 177.445 176.539 0.906 1
1 362 . 14 1 1 A 28 28 TYR CA C 28 60.294 60.371 -0.077 1
1 363 . 14 1 1 A 28 28 TYR CB C 28 40.851 38.847 2.004 1
1 368 . 14 1 1 A 28 28 TYR N N 28 113.706 114.924 -1.218 1
1 369 . 14 1 1 A 29 29 GLY H H 29 7.713 8.012 -0.299 1
1 370 . 14 1 1 A 29 29 GLY HA2 H 29 4.366 3.812 0.554 1
1 371 . 14 1 1 A 29 29 GLY HA3 H 29 3.846 3.985 -0.139 1
1 372 . 14 1 1 A 29 29 GLY C C 29 172.549 175.293 -2.744 1
1 373 . 14 1 1 A 29 29 GLY CA C 29 44.258 44.642 -0.384 1
1 374 . 14 1 1 A 29 29 GLY N N 29 107.840 106.738 1.102 1
1 375 . 14 1 1 A 30 30 TRP H H 30 7.960 8.485 -0.525 1
1 376 . 14 1 1 A 30 30 TRP HA H 30 4.136 4.106 0.030 1
1 385 . 14 1 1 A 30 30 TRP C C 30 178.090 178.428 -0.338 1
1 386 . 14 1 1 A 30 30 TRP CA C 30 60.502 60.288 0.214 1
1 387 . 14 1 1 A 30 30 TRP CB C 30 30.304 28.994 1.310 1
1 393 . 14 1 1 A 30 30 TRP N N 30 118.175 121.669 -3.494 1
1 395 . 14 1 1 A 31 31 GLU H H 31 8.549 8.235 0.314 1
1 396 . 14 1 1 A 31 31 GLU HA H 31 3.992 4.061 -0.069 1
1 401 . 14 1 1 A 31 31 GLU C C 31 179.942 179.365 0.577 1
1 402 . 14 1 1 A 31 31 GLU CA C 31 60.090 59.530 0.560 1
1 403 . 14 1 1 A 31 31 GLU CB C 31 28.474 29.387 -0.913 1
1 405 . 14 1 1 A 31 31 GLU N N 31 118.099 119.875 -1.776 1
1 406 . 14 1 1 A 32 32 GLU H H 32 8.962 8.326 0.636 1
1 407 . 14 1 1 A 32 32 GLU HA H 32 4.137 4.121 0.016 1
1 412 . 14 1 1 A 32 32 GLU C C 32 179.651 179.475 0.176 1
1 413 . 14 1 1 A 32 32 GLU CA C 32 58.745 59.285 -0.540 1
1 414 . 14 1 1 A 32 32 GLU CB C 32 28.145 29.688 -1.543 1
1 416 . 14 1 1 A 32 32 GLU N N 32 120.094 119.846 0.248 1
1 417 . 14 1 1 A 33 33 LEU H H 33 7.748 7.915 -0.167 1
1 418 . 14 1 1 A 33 33 LEU HA H 33 3.922 4.005 -0.083 1
1 428 . 14 1 1 A 33 33 LEU C C 33 178.833 179.137 -0.304 1
1 429 . 14 1 1 A 33 33 LEU CA C 33 58.577 57.828 0.749 1
1 430 . 14 1 1 A 33 33 LEU CB C 33 41.269 41.104 0.165 1
1 434 . 14 1 1 A 33 33 LEU N N 33 118.890 121.066 -2.176 1
1 435 . 14 1 1 A 34 34 SER H H 34 8.607 8.391 0.216 1
1 436 . 14 1 1 A 34 34 SER HA H 34 4.642 4.687 -0.045 1
1 439 . 14 1 1 A 34 34 SER C C 34 175.346 176.503 -1.157 1
1 440 . 14 1 1 A 34 34 SER CA C 34 61.247 60.783 0.464 1
1 441 . 14 1 1 A 34 34 SER CB C 34 63.043 63.229 -0.186 1
1 442 . 14 1 1 A 34 34 SER N N 34 114.464 113.589 0.875 1
1 443 . 14 1 1 A 35 35 TYR H H 35 7.395 7.754 -0.359 1
1 444 . 14 1 1 A 35 35 TYR HA H 35 4.537 4.303 0.234 1
1 451 . 14 1 1 A 35 35 TYR C C 35 177.940 177.831 0.109 1
1 452 . 14 1 1 A 35 35 TYR CA C 35 58.907 61.505 -2.598 1
1 453 . 14 1 1 A 35 35 TYR CB C 35 37.852 38.704 -0.852 1
1 458 . 14 1 1 A 35 35 TYR N N 35 120.804 122.737 -1.933 1
1 459 . 14 1 1 A 36 36 MET H H 36 7.840 8.057 -0.217 1
1 460 . 14 1 1 A 36 36 MET HA H 36 4.158 4.487 -0.329 1
1 468 . 14 1 1 A 36 36 MET C C 36 177.049 176.621 0.428 1
1 469 . 14 1 1 A 36 36 MET CA C 36 58.684 58.746 -0.062 1
1 470 . 14 1 1 A 36 36 MET CB C 36 34.927 34.071 0.856 1
1 473 . 14 1 1 A 36 36 MET N N 36 118.425 117.335 1.090 1
1 474 . 14 1 1 A 37 37 VAL H H 37 8.469 8.523 -0.054 1
1 475 . 14 1 1 A 37 37 VAL HA H 37 4.265 4.323 -0.058 1
1 483 . 14 1 1 A 37 37 VAL C C 37 173.959 175.751 -1.792 1
1 484 . 14 1 1 A 37 37 VAL CA C 37 61.621 61.956 -0.335 1
1 485 . 14 1 1 A 37 37 VAL CB C 37 32.527 30.770 1.757 1
1 488 . 14 1 1 A 37 37 VAL N N 37 117.997 119.134 -1.137 1
1 489 . 14 1 1 A 38 38 ASN H H 38 8.677 8.735 -0.058 1
1 490 . 14 1 1 A 38 38 ASN HA H 38 4.948 4.789 0.159 1
1 495 . 14 1 1 A 38 38 ASN C C 38 174.710 174.961 -0.251 1
1 496 . 14 1 1 A 38 38 ASN CA C 38 53.444 53.045 0.399 1
1 497 . 14 1 1 A 38 38 ASN CB C 38 37.001 37.485 -0.484 1
1 499 . 14 1 1 A 38 38 ASN N N 38 123.121 124.517 -1.396 1
1 501 . 14 1 1 A 39 39 ILE H H 39 7.744 7.628 0.116 1
1 502 . 14 1 1 A 39 39 ILE HA H 39 4.655 4.438 0.217 1
1 512 . 14 1 1 A 39 39 ILE C C 39 176.996 174.807 2.189 1
1 513 . 14 1 1 A 39 39 ILE CA C 39 59.201 59.484 -0.283 1
1 514 . 14 1 1 A 39 39 ILE CB C 39 40.558 39.332 1.226 1
1 518 . 14 1 1 A 39 39 ILE N N 39 115.722 116.928 -1.206 1
1 519 . 14 1 1 A 40 40 ASN H H 40 8.881 8.098 0.783 1
1 520 . 14 1 1 A 40 40 ASN HA H 40 4.192 4.582 -0.390 1
1 525 . 14 1 1 A 40 40 ASN C C 40 177.705 174.340 3.365 1
1 526 . 14 1 1 A 40 40 ASN CA C 40 56.883 51.935 4.948 1
1 527 . 14 1 1 A 40 40 ASN CB C 40 38.313 36.832 1.481 1
1 529 . 14 1 1 A 40 40 ASN N N 40 124.600 122.822 1.778 1
1 531 . 14 1 1 A 41 41 CYS H H 41 8.034 8.093 -0.059 1
1 532 . 14 1 1 A 41 41 CYS HA H 41 4.373 4.491 -0.118 1
1 535 . 14 1 1 A 41 41 CYS C C 41 174.303 175.637 -1.334 1
1 536 . 14 1 1 A 41 41 CYS CA C 41 59.164 59.658 -0.494 1
1 537 . 14 1 1 A 41 41 CYS CB C 41 26.126 29.564 -3.438 1
1 538 . 14 1 1 A 41 41 CYS N N 41 115.097 123.491 -8.394 1
1 539 . 14 1 1 A 42 42 PHE H H 42 7.031 8.107 -1.076 1
1 540 . 14 1 1 A 42 42 PHE HA H 42 4.937 4.228 0.709 1
1 548 . 14 1 1 A 42 42 PHE C C 42 174.437 177.027 -2.590 1
1 549 . 14 1 1 A 42 42 PHE CA C 42 54.439 60.879 -6.440 1
1 550 . 14 1 1 A 42 42 PHE CB C 42 38.059 38.377 -0.318 1
1 556 . 14 1 1 A 42 42 PHE N N 42 117.304 119.003 -1.699 1
1 557 . 14 1 1 A 43 43 LYS H H 43 7.371 7.521 -0.150 1
1 558 . 14 1 1 A 43 43 LYS HA H 43 4.304 4.363 -0.059 1
1 567 . 14 1 1 A 43 43 LYS C C 43 175.800 176.106 -0.306 1
1 568 . 14 1 1 A 43 43 LYS CA C 43 57.474 56.718 0.756 1
1 569 . 14 1 1 A 43 43 LYS CB C 43 34.978 33.013 1.965 1
1 573 . 14 1 1 A 43 43 LYS N N 43 116.029 116.329 -0.300 1
1 574 . 14 1 1 A 44 44 LYS H H 44 7.593 7.310 0.283 1
1 575 . 14 1 1 A 44 44 LYS HA H 44 4.302 4.390 -0.088 1
1 584 . 14 1 1 A 44 44 LYS C C 44 173.608 175.117 -1.509 1
1 585 . 14 1 1 A 44 44 LYS CA C 44 55.169 55.956 -0.787 1
1 586 . 14 1 1 A 44 44 LYS CB C 44 33.123 34.971 -1.848 1
1 590 . 14 1 1 A 44 44 LYS N N 44 119.851 119.615 0.236 1
1 591 . 14 1 1 A 45 45 ASP H H 45 8.774 9.131 -0.357 1
1 592 . 14 1 1 A 45 45 ASP HA H 45 4.200 4.184 0.016 1
1 595 . 14 1 1 A 45 45 ASP C C 45 172.128 175.601 -3.473 1
1 596 . 14 1 1 A 45 45 ASP CA C 45 53.963 54.836 -0.873 1
1 597 . 14 1 1 A 45 45 ASP CB C 45 40.263 39.423 0.840 1
1 598 . 14 1 1 A 45 45 ASP N N 45 122.276 125.617 -3.341 1
1 599 . 14 1 1 A 46 46 PRO HA H 46 3.930 4.220 -0.290 1
1 606 . 14 1 1 A 46 46 PRO C C 46 176.968 175.503 1.465 1
1 607 . 14 1 1 A 46 46 PRO CA C 46 62.964 62.114 0.850 1
1 608 . 14 1 1 A 46 46 PRO CB C 46 30.892 29.841 1.051 1
1 611 . 14 1 1 A 47 47 SER H H 47 8.018 7.958 0.060 1
1 612 . 14 1 1 A 47 47 SER HA H 47 4.676 4.890 -0.214 1
1 615 . 14 1 1 A 47 47 SER C C 47 175.465 174.234 1.231 1
1 616 . 14 1 1 A 47 47 SER CA C 47 57.014 57.576 -0.562 1
1 617 . 14 1 1 A 47 47 SER CB C 47 66.436 66.350 0.086 1
1 618 . 14 1 1 A 47 47 SER N N 47 112.273 118.360 -6.087 1
1 619 . 14 1 1 A 48 48 ILE H H 48 9.489 9.147 0.342 1
1 620 . 14 1 1 A 48 48 ILE HA H 48 4.013 4.086 -0.073 1
1 630 . 14 1 1 A 48 48 ILE C C 48 177.681 177.469 0.212 1
1 631 . 14 1 1 A 48 48 ILE CA C 48 64.456 65.760 -1.304 1
1 632 . 14 1 1 A 48 48 ILE CB C 48 36.382 38.207 -1.825 1
1 636 . 14 1 1 A 48 48 ILE N N 48 126.826 124.777 2.049 1
1 637 . 14 1 1 A 49 49 LYS H H 49 8.735 7.992 0.743 1
1 638 . 14 1 1 A 49 49 LYS HA H 49 3.984 4.048 -0.064 1
1 647 . 14 1 1 A 49 49 LYS C C 49 179.784 179.544 0.240 1
1 648 . 14 1 1 A 49 49 LYS CA C 49 60.562 59.676 0.886 1
1 649 . 14 1 1 A 49 49 LYS CB C 49 32.533 32.402 0.131 1
1 653 . 14 1 1 A 49 49 LYS N N 49 118.592 120.123 -1.531 1
1 654 . 14 1 1 A 50 50 SER H H 50 8.065 8.241 -0.176 1
1 655 . 14 1 1 A 50 50 SER HA H 50 4.270 4.153 0.117 1
1 658 . 14 1 1 A 50 50 SER C C 50 178.135 176.352 1.783 1
1 659 . 14 1 1 A 50 50 SER CA C 50 61.431 61.999 -0.568 1
1 660 . 14 1 1 A 50 50 SER CB C 50 62.672 63.083 -0.411 1
1 661 . 14 1 1 A 50 50 SER N N 50 114.354 117.205 -2.851 1
1 662 . 14 1 1 A 51 51 SER H H 51 8.300 7.910 0.390 1
1 663 . 14 1 1 A 51 51 SER HA H 51 4.681 4.244 0.437 1
1 666 . 14 1 1 A 51 51 SER C C 51 176.245 177.552 -1.307 1
1 667 . 14 1 1 A 51 51 SER CA C 51 63.327 61.579 1.748 1
1 668 . 14 1 1 A 51 51 SER CB C 51 64.340 63.223 1.117 1
1 669 . 14 1 1 A 51 51 SER N N 51 120.855 116.685 4.170 1
1 670 . 14 1 1 A 52 52 LEU H H 52 8.849 8.289 0.560 1
1 671 . 14 1 1 A 52 52 LEU HA H 52 3.902 3.947 -0.045 1
1 681 . 14 1 1 A 52 52 LEU C C 52 178.339 179.110 -0.771 1
1 682 . 14 1 1 A 52 52 LEU CA C 52 58.600 58.239 0.361 1
1 683 . 14 1 1 A 52 52 LEU CB C 52 41.685 41.529 0.156 1
1 687 . 14 1 1 A 52 52 LEU N N 52 122.627 121.909 0.718 1
1 688 . 14 1 1 A 53 53 LYS H H 53 7.268 8.013 -0.745 1
1 689 . 14 1 1 A 53 53 LYS HA H 53 3.957 4.077 -0.120 1
1 698 . 14 1 1 A 53 53 LYS C C 53 178.750 178.587 0.163 1
1 699 . 14 1 1 A 53 53 LYS CA C 53 59.867 58.270 1.597 1
1 700 . 14 1 1 A 53 53 LYS CB C 53 32.475 32.338 0.137 1
1 704 . 14 1 1 A 53 53 LYS N N 53 117.100 117.239 -0.139 1
1 705 . 14 1 1 A 54 54 PHE H H 54 7.388 8.273 -0.885 1
1 706 . 14 1 1 A 54 54 PHE HA H 54 4.167 4.110 0.057 1
1 714 . 14 1 1 A 54 54 PHE C C 54 178.975 177.162 1.813 1
1 715 . 14 1 1 A 54 54 PHE CA C 54 61.515 60.941 0.574 1
1 716 . 14 1 1 A 54 54 PHE CB C 54 39.619 39.261 0.358 1
1 722 . 14 1 1 A 54 54 PHE N N 54 117.704 122.427 -4.723 1
1 723 . 14 1 1 A 55 55 LEU H H 55 9.142 8.598 0.544 1
1 724 . 14 1 1 A 55 55 LEU HA H 55 3.720 3.791 -0.071 1
1 734 . 14 1 1 A 55 55 LEU C C 55 178.763 179.069 -0.306 1
1 735 . 14 1 1 A 55 55 LEU CA C 55 57.656 57.725 -0.069 1
1 736 . 14 1 1 A 55 55 LEU CB C 55 42.837 41.393 1.444 1
1 740 . 14 1 1 A 55 55 LEU N N 55 120.396 118.600 1.796 1
1 741 . 14 1 1 A 56 56 ARG H H 56 8.338 8.631 -0.293 1
1 742 . 14 1 1 A 56 56 ARG HA H 56 3.855 3.969 -0.114 1
1 750 . 14 1 1 A 56 56 ARG C C 56 176.697 177.800 -1.103 1
1 751 . 14 1 1 A 56 56 ARG CA C 56 59.452 59.097 0.355 1
1 752 . 14 1 1 A 56 56 ARG CB C 56 30.239 30.078 0.161 1
1 755 . 14 1 1 A 56 56 ARG N N 56 116.866 117.977 -1.111 1
1 757 . 14 1 1 A 57 57 LYS H H 57 6.770 7.894 -1.124 1
1 758 . 14 1 1 A 57 57 LYS HA H 57 4.542 4.181 0.361 1
1 767 . 14 1 1 A 57 57 LYS C C 57 176.148 176.231 -0.083 1
1 768 . 14 1 1 A 57 57 LYS CA C 57 55.545 57.792 -2.247 1
1 769 . 14 1 1 A 57 57 LYS CB C 57 33.805 32.742 1.063 1
1 773 . 14 1 1 A 57 57 LYS N N 57 113.205 117.454 -4.249 1
1 774 . 14 1 1 A 58 58 THR H H 58 6.908 7.812 -0.904 1
1 775 . 14 1 1 A 58 58 THR HA H 58 4.212 4.223 -0.011 1
1 780 . 14 1 1 A 58 58 THR C C 58 173.643 174.130 -0.487 1
1 781 . 14 1 1 A 58 58 THR CA C 58 60.688 60.886 -0.198 1
1 782 . 14 1 1 A 58 58 THR CB C 58 67.557 67.511 0.046 1
1 784 . 14 1 1 A 58 58 THR N N 58 117.915 114.406 3.509 1
1 785 . 14 1 1 A 59 59 ASP H H 59 8.789 8.183 0.606 1
1 786 . 14 1 1 A 59 59 ASP HA H 59 4.128 4.108 0.020 1
1 789 . 14 1 1 A 59 59 ASP C C 59 178.565 177.864 0.701 1
1 790 . 14 1 1 A 59 59 ASP CA C 59 58.506 57.349 1.157 1
1 791 . 14 1 1 A 59 59 ASP CB C 59 39.530 41.028 -1.498 1
1 792 . 14 1 1 A 59 59 ASP N N 59 128.511 126.313 2.198 1
1 793 . 14 1 1 A 60 60 TRP H H 60 8.638 8.177 0.461 1
1 794 . 14 1 1 A 60 60 TRP HA H 60 4.375 4.545 -0.170 1
1 803 . 14 1 1 A 60 60 TRP C C 60 178.277 178.782 -0.505 1
1 804 . 14 1 1 A 60 60 TRP CA C 60 59.183 60.199 -1.016 1
1 805 . 14 1 1 A 60 60 TRP CB C 60 26.962 28.021 -1.059 1
1 811 . 14 1 1 A 60 60 TRP N N 60 117.515 119.088 -1.573 1
1 813 . 14 1 1 A 61 61 ALA H H 61 5.533 7.492 -1.959 1
1 814 . 14 1 1 A 61 61 ALA HA H 61 3.414 3.870 -0.456 1
1 818 . 14 1 1 A 61 61 ALA C C 61 177.616 179.455 -1.839 1
1 819 . 14 1 1 A 61 61 ALA CA C 61 54.478 55.034 -0.556 1
1 820 . 14 1 1 A 61 61 ALA CB C 61 17.904 17.680 0.224 1
1 821 . 14 1 1 A 61 61 ALA N N 61 125.465 123.765 1.700 1
1 822 . 14 1 1 A 62 62 ARG H H 62 7.811 7.464 0.347 1
1 823 . 14 1 1 A 62 62 ARG HA H 62 3.617 3.961 -0.344 1
1 831 . 14 1 1 A 62 62 ARG C C 62 177.918 178.973 -1.055 1
1 832 . 14 1 1 A 62 62 ARG CA C 62 60.708 59.569 1.139 1
1 833 . 14 1 1 A 62 62 ARG CB C 62 29.156 29.860 -0.704 1
1 836 . 14 1 1 A 62 62 ARG N N 62 120.420 118.567 1.853 1
1 838 . 14 1 1 A 63 63 GLU H H 63 8.412 8.516 -0.104 1
1 839 . 14 1 1 A 63 63 GLU HA H 63 4.041 4.032 0.009 1
1 844 . 14 1 1 A 63 63 GLU C C 63 178.935 179.335 -0.400 1
1 845 . 14 1 1 A 63 63 GLU CA C 63 59.509 59.350 0.159 1
1 846 . 14 1 1 A 63 63 GLU CB C 63 28.759 29.273 -0.514 1
1 848 . 14 1 1 A 63 63 GLU N N 63 117.144 117.277 -0.133 1
1 849 . 14 1 1 A 64 64 ARG H H 64 7.603 7.530 0.073 1
1 850 . 14 1 1 A 64 64 ARG HA H 64 4.256 4.124 0.132 1
1 858 . 14 1 1 A 64 64 ARG C C 64 179.133 178.652 0.481 1
1 859 . 14 1 1 A 64 64 ARG CA C 64 59.340 59.363 -0.023 1
1 860 . 14 1 1 A 64 64 ARG CB C 64 30.067 30.208 -0.141 1
1 863 . 14 1 1 A 64 64 ARG N N 64 118.298 119.910 -1.612 1
1 865 . 14 1 1 A 65 65 VAL H H 65 8.065 8.235 -0.170 1
1 866 . 14 1 1 A 65 65 VAL HA H 65 3.713 3.557 0.156 1
1 874 . 14 1 1 A 65 65 VAL C C 65 177.638 177.601 0.037 1
1 875 . 14 1 1 A 65 65 VAL CA C 65 66.891 67.044 -0.153 1
1 876 . 14 1 1 A 65 65 VAL CB C 65 31.480 31.587 -0.107 1
1 879 . 14 1 1 A 65 65 VAL N N 65 117.270 120.310 -3.040 1
1 880 . 14 1 1 A 66 66 GLU H H 66 8.583 8.541 0.042 1
1 881 . 14 1 1 A 66 66 GLU HA H 66 3.912 3.994 -0.082 1
1 886 . 14 1 1 A 66 66 GLU C C 66 178.380 179.683 -1.303 1
1 887 . 14 1 1 A 66 66 GLU CA C 66 60.256 59.814 0.442 1
1 888 . 14 1 1 A 66 66 GLU CB C 66 28.691 29.328 -0.637 1
1 890 . 14 1 1 A 66 66 GLU N N 66 119.924 119.025 0.899 1
1 891 . 14 1 1 A 67 67 ASN H H 67 8.267 8.315 -0.048 1
1 892 . 14 1 1 A 67 67 ASN HA H 67 4.567 4.515 0.052 1
1 897 . 14 1 1 A 67 67 ASN C C 67 178.338 177.940 0.398 1
1 898 . 14 1 1 A 67 67 ASN CA C 67 56.900 56.544 0.356 1
1 899 . 14 1 1 A 67 67 ASN CB C 67 38.802 39.423 -0.621 1
1 901 . 14 1 1 A 67 67 ASN N N 67 117.574 117.442 0.132 1
1 903 . 14 1 1 A 68 68 ILE H H 68 8.132 7.840 0.292 1
1 904 . 14 1 1 A 68 68 ILE HA H 68 3.726 3.651 0.075 1
1 914 . 14 1 1 A 68 68 ILE C C 68 178.722 177.981 0.741 1
1 915 . 14 1 1 A 68 68 ILE CA C 68 65.388 65.497 -0.109 1
1 916 . 14 1 1 A 68 68 ILE CB C 68 37.841 37.607 0.234 1
1 920 . 14 1 1 A 68 68 ILE N N 68 121.125 119.807 1.318 1
1 921 . 14 1 1 A 69 69 TYR H H 69 8.146 8.293 -0.147 1
1 922 . 14 1 1 A 69 69 TYR HA H 69 4.058 4.014 0.044 1
1 929 . 14 1 1 A 69 69 TYR C C 69 177.061 177.491 -0.430 1
1 930 . 14 1 1 A 69 69 TYR CA C 69 62.828 61.523 1.305 1
1 931 . 14 1 1 A 69 69 TYR CB C 69 38.747 38.748 -0.001 1
1 936 . 14 1 1 A 69 69 TYR N N 69 121.378 121.537 -0.159 1
1 937 . 14 1 1 A 70 70 LEU H H 70 8.630 8.417 0.213 1
1 938 . 14 1 1 A 70 70 LEU HA H 70 3.875 3.806 0.069 1
1 948 . 14 1 1 A 70 70 LEU C C 70 179.755 179.360 0.395 1
1 949 . 14 1 1 A 70 70 LEU CA C 70 58.230 57.939 0.291 1
1 950 . 14 1 1 A 70 70 LEU CB C 70 41.733 41.344 0.389 1
1 954 . 14 1 1 A 70 70 LEU N N 70 120.179 119.427 0.752 1
1 955 . 14 1 1 A 71 71 LYS H H 71 7.950 7.660 0.290 1
1 956 . 14 1 1 A 71 71 LYS HA H 71 3.957 4.018 -0.061 1
1 965 . 14 1 1 A 71 71 LYS C C 71 178.961 179.108 -0.147 1
1 966 . 14 1 1 A 71 71 LYS CA C 71 59.684 60.009 -0.325 1
1 967 . 14 1 1 A 71 71 LYS CB C 71 32.421 32.338 0.083 1
1 971 . 14 1 1 A 71 71 LYS N N 71 118.820 119.038 -0.218 1
1 972 . 14 1 1 A 72 72 LEU H H 72 7.731 7.590 0.141 1
1 973 . 14 1 1 A 72 72 LEU HA H 72 4.037 4.149 -0.112 1
1 983 . 14 1 1 A 72 72 LEU C C 72 178.533 178.500 0.033 1
1 984 . 14 1 1 A 72 72 LEU CA C 72 57.352 57.616 -0.264 1
1 985 . 14 1 1 A 72 72 LEU CB C 72 41.406 41.574 -0.168 1
1 989 . 14 1 1 A 72 72 LEU N N 72 121.367 121.244 0.123 1
1 990 . 14 1 1 A 73 73 GLN H H 73 7.884 8.394 -0.510 1
1 991 . 14 1 1 A 73 73 GLN HA H 73 3.852 3.760 0.092 1
1 998 . 14 1 1 A 73 73 GLN C C 73 177.679 178.782 -1.103 1
1 999 . 14 1 1 A 73 73 GLN CA C 73 57.026 59.032 -2.006 1
1 1000 . 14 1 1 A 73 73 GLN CB C 73 28.148 28.302 -0.154 1
1 1003 . 14 1 1 A 73 73 GLN N N 73 116.639 118.083 -1.444 1
1 1005 . 14 1 1 A 74 74 ARG H H 74 7.725 8.455 -0.730 1
1 1006 . 14 1 1 A 74 74 ARG HA H 74 4.136 4.148 -0.012 1
1 1013 . 14 1 1 A 74 74 ARG C C 74 177.235 178.153 -0.918 1
1 1014 . 14 1 1 A 74 74 ARG CA C 74 57.452 58.165 -0.713 1
1 1015 . 14 1 1 A 74 74 ARG CB C 74 30.308 29.231 1.077 1
1 1018 . 14 1 1 A 74 74 ARG N N 74 118.122 118.384 -0.262 1
1 1019 . 14 1 1 A 75 75 HIS H H 75 7.982 8.065 -0.083 1
1 1020 . 14 1 1 A 75 75 HIS HA H 75 4.564 4.247 0.317 1
1 1023 . 14 1 1 A 75 75 HIS C C 75 175.202 176.929 -1.727 1
1 1024 . 14 1 1 A 75 75 HIS CA C 75 56.587 58.953 -2.366 1
1 1025 . 14 1 1 A 75 75 HIS CB C 75 28.477 30.017 -1.540 1
1 1026 . 14 1 1 A 75 75 HIS N N 75 117.995 120.141 -2.146 1
1 1027 . 14 1 1 A 76 76 LYS H H 76 8.180 8.079 0.101 1
1 1028 . 14 1 1 A 76 76 LYS HA H 76 4.148 3.939 0.209 1
1 1037 . 14 1 1 A 76 76 LYS C C 76 177.303 178.304 -1.001 1
1 1038 . 14 1 1 A 76 76 LYS CA C 76 57.550 57.961 -0.411 1
1 1039 . 14 1 1 A 76 76 LYS CB C 76 32.789 32.531 0.258 1
1 1043 . 14 1 1 A 76 76 LYS N N 76 121.510 118.267 3.243 1
1 1044 . 14 1 1 A 77 77 GLU H H 77 8.321 8.517 -0.196 1
1 1045 . 14 1 1 A 77 77 GLU HA H 77 4.224 4.047 0.177 1
1 1050 . 14 1 1 A 77 77 GLU C C 77 177.067 177.538 -0.471 1
1 1051 . 14 1 1 A 77 77 GLU CA C 77 56.991 59.243 -2.252 1
1 1052 . 14 1 1 A 77 77 GLU CB C 77 29.841 28.946 0.895 1
1 1054 . 14 1 1 A 77 77 GLU N N 77 120.860 121.748 -0.888 1
1 1055 . 14 1 1 A 78 78 ARG H H 78 8.228 7.602 0.626 1
1 1056 . 14 1 1 A 78 78 ARG HA H 78 4.240 4.390 -0.150 1
1 1063 . 14 1 1 A 78 78 ARG C C 78 176.577 174.753 1.824 1
1 1064 . 14 1 1 A 78 78 ARG CA C 78 56.786 55.143 1.643 1
1 1065 . 14 1 1 A 78 78 ARG CB C 78 30.413 30.333 0.080 1
1 1068 . 14 1 1 A 78 78 ARG N N 78 121.081 117.845 3.236 1
1 1069 . 14 1 1 A 79 79 ASN H H 79 8.333 7.675 0.658 1
1 1070 . 14 1 1 A 79 79 ASN HA H 79 4.617 5.254 -0.637 1
1 1075 . 14 1 1 A 79 79 ASN C C 79 175.605 173.132 2.473 1
1 1076 . 14 1 1 A 79 79 ASN CA C 79 53.938 51.774 2.164 1
1 1077 . 14 1 1 A 79 79 ASN CB C 79 38.748 42.416 -3.668 1
1 1079 . 14 1 1 A 79 79 ASN N N 79 118.880 118.850 0.030 1
1 1081 . 14 1 1 A 80 80 GLN H H 80 8.285 8.667 -0.382 1
1 1082 . 14 1 1 A 80 80 GLN HA H 80 4.253 4.721 -0.468 1
1 1089 . 14 1 1 A 80 80 GLN C C 80 176.304 173.781 2.523 1
1 1090 . 14 1 1 A 80 80 GLN CA C 80 56.545 54.810 1.735 1
1 1091 . 14 1 1 A 80 80 GLN CB C 80 29.274 33.038 -3.764 1
1 1094 . 14 1 1 A 80 80 GLN N N 80 120.222 123.272 -3.050 1
1 1096 . 14 1 1 A 81 81 LEU H H 81 8.130 8.746 -0.616 1
1 1097 . 14 1 1 A 81 81 LEU HA H 81 4.222 4.714 -0.492 1
1 1107 . 14 1 1 A 81 81 LEU C C 81 177.542 176.830 0.712 1
1 1108 . 14 1 1 A 81 81 LEU CA C 81 55.736 53.965 1.771 1
1 1109 . 14 1 1 A 81 81 LEU CB C 81 42.196 42.858 -0.662 1
1 1113 . 14 1 1 A 81 81 LEU N N 81 122.119 127.225 -5.106 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.081 4.751 -0.670 1
1 5 . 15 1 1 A 2 2 ALA C C 2 173.423 175.880 -2.457 1
1 6 . 15 1 1 A 2 2 ALA CA C 2 51.798 51.842 -0.044 1
1 7 . 15 1 1 A 2 2 ALA CB C 2 19.502 22.356 -2.854 1
1 8 . 15 1 1 A 3 3 LEU H H 3 8.547 8.625 -0.078 1
1 9 . 15 1 1 A 3 3 LEU HA H 3 4.394 4.730 -0.336 1
1 19 . 15 1 1 A 3 3 LEU C C 3 176.779 177.167 -0.388 1
1 20 . 15 1 1 A 3 3 LEU CA C 3 55.226 53.733 1.493 1
1 21 . 15 1 1 A 3 3 LEU CB C 3 42.472 42.407 0.065 1
1 25 . 15 1 1 A 3 3 LEU N N 3 122.089 122.964 -0.875 1
1 26 . 15 1 1 A 4 4 ILE H H 4 8.319 8.517 -0.198 1
1 27 . 15 1 1 A 4 4 ILE HA H 4 4.167 4.128 0.039 1
1 37 . 15 1 1 A 4 4 ILE C C 4 176.138 175.092 1.046 1
1 38 . 15 1 1 A 4 4 ILE CA C 4 60.894 61.330 -0.436 1
1 39 . 15 1 1 A 4 4 ILE CB C 4 38.595 36.424 2.171 1
1 43 . 15 1 1 A 4 4 ILE N N 4 123.468 121.628 1.840 1
1 44 . 15 1 1 A 5 5 MET H H 5 8.574 8.613 -0.039 1
1 45 . 15 1 1 A 5 5 MET HA H 5 4.584 5.269 -0.685 1
1 50 . 15 1 1 A 5 5 MET C C 5 176.274 174.720 1.554 1
1 51 . 15 1 1 A 5 5 MET CA C 5 55.348 54.011 1.337 1
1 52 . 15 1 1 A 5 5 MET CB C 5 32.961 34.026 -1.065 1
1 54 . 15 1 1 A 5 5 MET N N 5 125.527 128.068 -2.541 1
1 55 . 15 1 1 A 6 6 THR H H 6 8.172 9.009 -0.837 1
1 56 . 15 1 1 A 6 6 THR HA H 6 4.331 4.887 -0.556 1
1 61 . 15 1 1 A 6 6 THR C C 6 174.578 173.961 0.617 1
1 62 . 15 1 1 A 6 6 THR CA C 6 61.849 61.996 -0.147 1
1 63 . 15 1 1 A 6 6 THR CB C 6 69.904 68.470 1.434 1
1 65 . 15 1 1 A 6 6 THR N N 6 115.487 122.021 -6.534 1
1 66 . 15 1 1 A 7 7 GLN H H 7 8.461 8.889 -0.428 1
1 67 . 15 1 1 A 7 7 GLN HA H 7 4.317 4.951 -0.634 1
1 74 . 15 1 1 A 7 7 GLN C C 7 176.108 175.701 0.407 1
1 75 . 15 1 1 A 7 7 GLN CA C 7 56.149 54.011 2.138 1
1 76 . 15 1 1 A 7 7 GLN CB C 7 29.491 32.574 -3.083 1
1 79 . 15 1 1 A 7 7 GLN N N 7 122.199 125.990 -3.791 1
1 81 . 15 1 1 A 8 8 GLN H H 8 8.418 8.488 -0.070 1
1 82 . 15 1 1 A 8 8 GLN HA H 8 4.219 4.441 -0.222 1
1 89 . 15 1 1 A 8 8 GLN C C 8 175.704 174.300 1.404 1
1 90 . 15 1 1 A 8 8 GLN CA C 8 56.112 55.584 0.528 1
1 91 . 15 1 1 A 8 8 GLN CB C 8 29.435 27.233 2.202 1
1 94 . 15 1 1 A 8 8 GLN N N 8 121.100 121.461 -0.361 1
1 96 . 15 1 1 A 9 9 ASN H H 9 8.404 8.026 0.378 1
1 97 . 15 1 1 A 9 9 ASN HA H 9 4.654 5.206 -0.552 1
1 102 . 15 1 1 A 9 9 ASN C C 9 174.445 173.691 0.754 1
1 103 . 15 1 1 A 9 9 ASN CA C 9 53.190 51.762 1.428 1
1 104 . 15 1 1 A 9 9 ASN CB C 9 38.913 41.432 -2.519 1
1 106 . 15 1 1 A 9 9 ASN N N 9 119.104 118.714 0.390 1
1 108 . 15 1 1 A 10 10 ASN H H 10 8.306 8.571 -0.265 1
1 109 . 15 1 1 A 10 10 ASN HA H 10 4.964 5.163 -0.199 1
1 114 . 15 1 1 A 10 10 ASN C C 10 174.315 175.062 -0.747 1
1 115 . 15 1 1 A 10 10 ASN CA C 10 51.318 50.821 0.497 1
1 116 . 15 1 1 A 10 10 ASN CB C 10 38.992 38.608 0.384 1
1 118 . 15 1 1 A 10 10 ASN N N 10 119.847 116.922 2.925 1
1 120 . 15 1 1 A 11 11 PRO HA H 11 4.427 4.510 -0.083 1
1 127 . 15 1 1 A 11 11 PRO C C 11 177.095 176.974 0.121 1
1 128 . 15 1 1 A 11 11 PRO CA C 11 64.214 63.952 0.262 1
1 129 . 15 1 1 A 11 11 PRO CB C 11 32.355 31.889 0.466 1
1 132 . 15 1 1 A 12 12 LEU H H 12 8.102 8.118 -0.016 1
1 133 . 15 1 1 A 12 12 LEU HA H 12 4.320 4.495 -0.175 1
1 143 . 15 1 1 A 12 12 LEU C C 12 177.341 177.757 -0.416 1
1 144 . 15 1 1 A 12 12 LEU CA C 12 54.883 54.863 0.020 1
1 145 . 15 1 1 A 12 12 LEU CB C 12 41.300 41.325 -0.025 1
1 149 . 15 1 1 A 12 12 LEU N N 12 117.525 118.555 -1.030 1
1 150 . 15 1 1 A 13 13 HIS H H 13 8.004 7.936 0.068 1
1 151 . 15 1 1 A 13 13 HIS HA H 13 4.453 4.421 0.032 1
1 154 . 15 1 1 A 13 13 HIS C C 13 175.375 176.348 -0.973 1
1 155 . 15 1 1 A 13 13 HIS CA C 13 56.796 58.129 -1.333 1
1 156 . 15 1 1 A 13 13 HIS CB C 13 28.248 30.848 -2.600 1
1 157 . 15 1 1 A 13 13 HIS N N 13 117.833 119.651 -1.818 1
1 158 . 15 1 1 A 14 14 GLY H H 14 8.530 7.940 0.590 1
1 159 . 15 1 1 A 14 14 GLY HA2 H 14 3.930 3.893 0.037 1
1 160 . 15 1 1 A 14 14 GLY HA3 H 14 3.755 3.949 -0.194 1
1 161 . 15 1 1 A 14 14 GLY C C 14 173.536 173.168 0.368 1
1 162 . 15 1 1 A 14 14 GLY CA C 14 45.529 46.589 -1.060 1
1 163 . 15 1 1 A 14 14 GLY N N 14 110.385 105.502 4.883 1
1 164 . 15 1 1 A 15 15 ILE H H 15 7.563 8.050 -0.487 1
1 165 . 15 1 1 A 15 15 ILE HA H 15 4.392 4.625 -0.233 1
1 175 . 15 1 1 A 15 15 ILE C C 15 174.878 176.230 -1.352 1
1 176 . 15 1 1 A 15 15 ILE CA C 15 60.102 60.374 -0.272 1
1 177 . 15 1 1 A 15 15 ILE CB C 15 39.383 38.161 1.222 1
1 181 . 15 1 1 A 15 15 ILE N N 15 120.363 122.524 -2.161 1
1 182 . 15 1 1 A 16 16 THR H H 16 7.643 8.850 -1.207 1
1 183 . 15 1 1 A 16 16 THR HA H 16 4.381 4.685 -0.304 1
1 188 . 15 1 1 A 16 16 THR C C 16 174.950 175.557 -0.607 1
1 189 . 15 1 1 A 16 16 THR CA C 16 60.355 60.187 0.168 1
1 190 . 15 1 1 A 16 16 THR CB C 16 70.834 71.450 -0.616 1
1 192 . 15 1 1 A 16 16 THR N N 16 115.980 119.826 -3.846 1
1 193 . 15 1 1 A 17 17 LEU H H 17 8.712 8.942 -0.230 1
1 194 . 15 1 1 A 17 17 LEU HA H 17 4.029 4.099 -0.070 1
1 204 . 15 1 1 A 17 17 LEU C C 17 178.125 178.162 -0.037 1
1 205 . 15 1 1 A 17 17 LEU CA C 17 57.582 58.565 -0.983 1
1 206 . 15 1 1 A 17 17 LEU CB C 17 40.906 41.009 -0.103 1
1 210 . 15 1 1 A 17 17 LEU N N 17 123.337 123.419 -0.082 1
1 211 . 15 1 1 A 18 18 GLN H H 18 8.611 8.176 0.435 1
1 212 . 15 1 1 A 18 18 GLN HA H 18 3.774 3.958 -0.184 1
1 219 . 15 1 1 A 18 18 GLN C C 18 178.211 178.117 0.094 1
1 220 . 15 1 1 A 18 18 GLN CA C 18 60.388 59.418 0.970 1
1 221 . 15 1 1 A 18 18 GLN CB C 18 27.809 28.836 -1.027 1
1 224 . 15 1 1 A 18 18 GLN N N 18 116.423 118.494 -2.071 1
1 226 . 15 1 1 A 19 19 LYS H H 19 7.861 7.503 0.358 1
1 227 . 15 1 1 A 19 19 LYS HA H 19 3.957 4.035 -0.078 1
1 236 . 15 1 1 A 19 19 LYS C C 19 177.806 178.574 -0.768 1
1 237 . 15 1 1 A 19 19 LYS CA C 19 59.684 59.383 0.301 1
1 238 . 15 1 1 A 19 19 LYS CB C 19 32.300 31.948 0.352 1
1 242 . 15 1 1 A 19 19 LYS N N 19 123.583 120.010 3.573 1
1 243 . 15 1 1 A 20 20 LEU H H 20 8.223 8.182 0.041 1
1 244 . 15 1 1 A 20 20 LEU HA H 20 3.418 3.478 -0.060 1
1 254 . 15 1 1 A 20 20 LEU C C 20 178.417 178.388 0.029 1
1 255 . 15 1 1 A 20 20 LEU CA C 20 59.301 57.989 1.312 1
1 256 . 15 1 1 A 20 20 LEU CB C 20 41.370 41.359 0.011 1
1 260 . 15 1 1 A 20 20 LEU N N 20 121.397 120.463 0.934 1
1 261 . 15 1 1 A 21 21 LEU H H 21 8.649 8.320 0.329 1
1 262 . 15 1 1 A 21 21 LEU HA H 21 3.872 3.896 -0.024 1
1 272 . 15 1 1 A 21 21 LEU C C 21 178.009 178.513 -0.504 1
1 273 . 15 1 1 A 21 21 LEU CA C 21 58.027 58.027 0.000 1
1 274 . 15 1 1 A 21 21 LEU CB C 21 42.279 41.465 0.814 1
1 278 . 15 1 1 A 21 21 LEU N N 21 118.999 119.759 -0.760 1
1 279 . 15 1 1 A 22 22 THR H H 22 8.025 8.185 -0.160 1
1 280 . 15 1 1 A 22 22 THR HA H 22 3.592 3.759 -0.167 1
1 285 . 15 1 1 A 22 22 THR C C 22 176.358 176.216 0.142 1
1 286 . 15 1 1 A 22 22 THR CA C 22 67.879 66.437 1.442 1
1 287 . 15 1 1 A 22 22 THR CB C 22 68.717 68.449 0.268 1
1 289 . 15 1 1 A 22 22 THR N N 22 115.015 114.689 0.326 1
1 290 . 15 1 1 A 23 23 GLU H H 23 8.158 8.290 -0.132 1
1 291 . 15 1 1 A 23 23 GLU HA H 23 4.068 4.121 -0.053 1
1 296 . 15 1 1 A 23 23 GLU C C 23 180.091 179.745 0.346 1
1 297 . 15 1 1 A 23 23 GLU CA C 23 59.845 59.352 0.493 1
1 298 . 15 1 1 A 23 23 GLU CB C 23 29.101 29.498 -0.397 1
1 300 . 15 1 1 A 23 23 GLU N N 23 120.691 119.395 1.296 1
1 301 . 15 1 1 A 24 24 LEU H H 24 8.121 8.065 0.056 1
1 302 . 15 1 1 A 24 24 LEU HA H 24 4.140 4.210 -0.070 1
1 312 . 15 1 1 A 24 24 LEU C C 24 179.047 178.922 0.125 1
1 313 . 15 1 1 A 24 24 LEU CA C 24 58.438 58.195 0.243 1
1 314 . 15 1 1 A 24 24 LEU CB C 24 42.715 42.118 0.597 1
1 318 . 15 1 1 A 24 24 LEU N N 24 119.210 121.124 -1.914 1
1 319 . 15 1 1 A 25 25 VAL H H 25 8.577 8.093 0.484 1
1 320 . 15 1 1 A 25 25 VAL HA H 25 2.698 3.116 -0.418 1
1 328 . 15 1 1 A 25 25 VAL C C 25 179.143 178.050 1.093 1
1 329 . 15 1 1 A 25 25 VAL CA C 25 67.077 66.724 0.353 1
1 330 . 15 1 1 A 25 25 VAL CB C 25 31.127 30.762 0.365 1
1 333 . 15 1 1 A 25 25 VAL N N 25 122.036 118.520 3.516 1
1 334 . 15 1 1 A 26 26 GLU H H 26 8.216 8.062 0.154 1
1 335 . 15 1 1 A 26 26 GLU HA H 26 3.858 4.087 -0.229 1
1 340 . 15 1 1 A 26 26 GLU C C 26 177.409 177.076 0.333 1
1 341 . 15 1 1 A 26 26 GLU CA C 26 59.105 58.118 0.987 1
1 342 . 15 1 1 A 26 26 GLU CB C 26 29.025 29.205 -0.180 1
1 344 . 15 1 1 A 26 26 GLU N N 26 119.262 118.104 1.158 1
1 345 . 15 1 1 A 27 27 HIS H H 27 7.815 7.569 0.246 1
1 346 . 15 1 1 A 27 27 HIS HA H 27 4.183 4.471 -0.288 1
1 349 . 15 1 1 A 27 27 HIS C C 27 175.618 175.331 0.287 1
1 350 . 15 1 1 A 27 27 HIS CA C 27 58.932 56.933 1.999 1
1 351 . 15 1 1 A 27 27 HIS CB C 27 29.358 31.599 -2.241 1
1 352 . 15 1 1 A 27 27 HIS N N 27 114.100 116.230 -2.130 1
1 353 . 15 1 1 A 28 28 TYR H H 28 8.628 8.083 0.545 1
1 354 . 15 1 1 A 28 28 TYR HA H 28 4.424 4.589 -0.165 1
1 361 . 15 1 1 A 28 28 TYR C C 28 177.445 176.471 0.974 1
1 362 . 15 1 1 A 28 28 TYR CA C 28 60.294 59.230 1.064 1
1 363 . 15 1 1 A 28 28 TYR CB C 28 40.851 40.688 0.163 1
1 368 . 15 1 1 A 28 28 TYR N N 28 113.706 114.744 -1.038 1
1 369 . 15 1 1 A 29 29 GLY H H 29 7.713 7.355 0.358 1
1 370 . 15 1 1 A 29 29 GLY HA2 H 29 4.366 3.955 0.411 1
1 371 . 15 1 1 A 29 29 GLY HA3 H 29 3.846 4.085 -0.239 1
1 372 . 15 1 1 A 29 29 GLY C C 29 172.549 175.143 -2.594 1
1 373 . 15 1 1 A 29 29 GLY CA C 29 44.258 44.422 -0.164 1
1 374 . 15 1 1 A 29 29 GLY N N 29 107.840 105.409 2.431 1
1 375 . 15 1 1 A 30 30 TRP H H 30 7.960 8.724 -0.764 1
1 376 . 15 1 1 A 30 30 TRP HA H 30 4.136 4.087 0.049 1
1 385 . 15 1 1 A 30 30 TRP C C 30 178.090 178.656 -0.566 1
1 386 . 15 1 1 A 30 30 TRP CA C 30 60.502 60.285 0.217 1
1 387 . 15 1 1 A 30 30 TRP CB C 30 30.304 29.214 1.090 1
1 393 . 15 1 1 A 30 30 TRP N N 30 118.175 122.490 -4.315 1
1 395 . 15 1 1 A 31 31 GLU H H 31 8.549 8.387 0.162 1
1 396 . 15 1 1 A 31 31 GLU HA H 31 3.992 4.045 -0.053 1
1 401 . 15 1 1 A 31 31 GLU C C 31 179.942 179.667 0.275 1
1 402 . 15 1 1 A 31 31 GLU CA C 31 60.090 59.669 0.421 1
1 403 . 15 1 1 A 31 31 GLU CB C 31 28.474 28.825 -0.351 1
1 405 . 15 1 1 A 31 31 GLU N N 31 118.099 119.291 -1.192 1
1 406 . 15 1 1 A 32 32 GLU H H 32 8.962 8.298 0.664 1
1 407 . 15 1 1 A 32 32 GLU HA H 32 4.137 4.099 0.038 1
1 412 . 15 1 1 A 32 32 GLU C C 32 179.651 180.033 -0.382 1
1 413 . 15 1 1 A 32 32 GLU CA C 32 58.745 59.201 -0.456 1
1 414 . 15 1 1 A 32 32 GLU CB C 32 28.145 29.407 -1.262 1
1 416 . 15 1 1 A 32 32 GLU N N 32 120.094 120.010 0.084 1
1 417 . 15 1 1 A 33 33 LEU H H 33 7.748 8.547 -0.799 1
1 418 . 15 1 1 A 33 33 LEU HA H 33 3.922 3.938 -0.016 1
1 428 . 15 1 1 A 33 33 LEU C C 33 178.833 179.784 -0.951 1
1 429 . 15 1 1 A 33 33 LEU CA C 33 58.577 57.745 0.832 1
1 430 . 15 1 1 A 33 33 LEU CB C 33 41.269 41.126 0.143 1
1 434 . 15 1 1 A 33 33 LEU N N 33 118.890 120.569 -1.679 1
1 435 . 15 1 1 A 34 34 SER H H 34 8.607 8.307 0.300 1
1 436 . 15 1 1 A 34 34 SER HA H 34 4.642 4.645 -0.003 1
1 439 . 15 1 1 A 34 34 SER C C 34 175.346 176.174 -0.828 1
1 440 . 15 1 1 A 34 34 SER CA C 34 61.247 62.007 -0.760 1
1 441 . 15 1 1 A 34 34 SER CB C 34 63.043 63.352 -0.309 1
1 442 . 15 1 1 A 34 34 SER N N 34 114.464 115.072 -0.608 1
1 443 . 15 1 1 A 35 35 TYR H H 35 7.395 7.524 -0.129 1
1 444 . 15 1 1 A 35 35 TYR HA H 35 4.537 4.216 0.321 1
1 451 . 15 1 1 A 35 35 TYR C C 35 177.940 177.585 0.355 1
1 452 . 15 1 1 A 35 35 TYR CA C 35 58.907 61.073 -2.166 1
1 453 . 15 1 1 A 35 35 TYR CB C 35 37.852 38.558 -0.706 1
1 458 . 15 1 1 A 35 35 TYR N N 35 120.804 122.820 -2.016 1
1 459 . 15 1 1 A 36 36 MET H H 36 7.840 8.360 -0.520 1
1 460 . 15 1 1 A 36 36 MET HA H 36 4.158 4.161 -0.003 1
1 468 . 15 1 1 A 36 36 MET C C 36 177.049 176.014 1.035 1
1 469 . 15 1 1 A 36 36 MET CA C 36 58.684 58.197 0.487 1
1 470 . 15 1 1 A 36 36 MET CB C 36 34.927 33.111 1.816 1
1 473 . 15 1 1 A 36 36 MET N N 36 118.425 117.566 0.859 1
1 474 . 15 1 1 A 37 37 VAL H H 37 8.469 8.365 0.104 1
1 475 . 15 1 1 A 37 37 VAL HA H 37 4.265 4.241 0.024 1
1 483 . 15 1 1 A 37 37 VAL C C 37 173.959 175.269 -1.310 1
1 484 . 15 1 1 A 37 37 VAL CA C 37 61.621 61.555 0.066 1
1 485 . 15 1 1 A 37 37 VAL CB C 37 32.527 32.354 0.173 1
1 488 . 15 1 1 A 37 37 VAL N N 37 117.997 118.893 -0.896 1
1 489 . 15 1 1 A 38 38 ASN H H 38 8.677 8.877 -0.200 1
1 490 . 15 1 1 A 38 38 ASN HA H 38 4.948 4.977 -0.029 1
1 495 . 15 1 1 A 38 38 ASN C C 38 174.710 174.015 0.695 1
1 496 . 15 1 1 A 38 38 ASN CA C 38 53.444 52.975 0.469 1
1 497 . 15 1 1 A 38 38 ASN CB C 38 37.001 36.830 0.171 1
1 499 . 15 1 1 A 38 38 ASN N N 38 123.121 126.620 -3.499 1
1 501 . 15 1 1 A 39 39 ILE H H 39 7.744 8.205 -0.461 1
1 502 . 15 1 1 A 39 39 ILE HA H 39 4.655 4.804 -0.149 1
1 512 . 15 1 1 A 39 39 ILE C C 39 176.996 175.763 1.233 1
1 513 . 15 1 1 A 39 39 ILE CA C 39 59.201 58.558 0.643 1
1 514 . 15 1 1 A 39 39 ILE CB C 39 40.558 41.169 -0.611 1
1 518 . 15 1 1 A 39 39 ILE N N 39 115.722 118.577 -2.855 1
1 519 . 15 1 1 A 40 40 ASN H H 40 8.881 9.036 -0.155 1
1 520 . 15 1 1 A 40 40 ASN HA H 40 4.192 4.313 -0.121 1
1 525 . 15 1 1 A 40 40 ASN C C 40 177.705 176.486 1.219 1
1 526 . 15 1 1 A 40 40 ASN CA C 40 56.883 55.450 1.433 1
1 527 . 15 1 1 A 40 40 ASN CB C 40 38.313 38.112 0.201 1
1 529 . 15 1 1 A 40 40 ASN N N 40 124.600 122.432 2.168 1
1 531 . 15 1 1 A 41 41 CYS H H 41 8.034 7.533 0.501 1
1 532 . 15 1 1 A 41 41 CYS HA H 41 4.373 3.814 0.559 1
1 535 . 15 1 1 A 41 41 CYS C C 41 174.303 177.444 -3.141 1
1 536 . 15 1 1 A 41 41 CYS CA C 41 59.164 62.450 -3.286 1
1 537 . 15 1 1 A 41 41 CYS CB C 41 26.126 26.862 -0.736 1
1 538 . 15 1 1 A 41 41 CYS N N 41 115.097 118.262 -3.165 1
1 539 . 15 1 1 A 42 42 PHE H H 42 7.031 7.287 -0.256 1
1 540 . 15 1 1 A 42 42 PHE HA H 42 4.937 4.307 0.630 1
1 548 . 15 1 1 A 42 42 PHE C C 42 174.437 178.227 -3.790 1
1 549 . 15 1 1 A 42 42 PHE CA C 42 54.439 60.995 -6.556 1
1 550 . 15 1 1 A 42 42 PHE CB C 42 38.059 38.627 -0.568 1
1 556 . 15 1 1 A 42 42 PHE N N 42 117.304 118.440 -1.136 1
1 557 . 15 1 1 A 43 43 LYS H H 43 7.371 7.586 -0.215 1
1 558 . 15 1 1 A 43 43 LYS HA H 43 4.304 4.338 -0.034 1
1 567 . 15 1 1 A 43 43 LYS C C 43 175.800 177.364 -1.564 1
1 568 . 15 1 1 A 43 43 LYS CA C 43 57.474 58.224 -0.750 1
1 569 . 15 1 1 A 43 43 LYS CB C 43 34.978 33.278 1.700 1
1 573 . 15 1 1 A 43 43 LYS N N 43 116.029 117.856 -1.827 1
1 574 . 15 1 1 A 44 44 LYS H H 44 7.593 8.088 -0.495 1
1 575 . 15 1 1 A 44 44 LYS HA H 44 4.302 4.203 0.099 1
1 584 . 15 1 1 A 44 44 LYS C C 44 173.608 175.892 -2.284 1
1 585 . 15 1 1 A 44 44 LYS CA C 44 55.169 55.413 -0.244 1
1 586 . 15 1 1 A 44 44 LYS CB C 44 33.123 32.492 0.631 1
1 590 . 15 1 1 A 44 44 LYS N N 44 119.851 119.840 0.011 1
1 591 . 15 1 1 A 45 45 ASP H H 45 8.774 8.785 -0.011 1
1 592 . 15 1 1 A 45 45 ASP HA H 45 4.200 4.166 0.034 1
1 595 . 15 1 1 A 45 45 ASP C C 45 172.128 175.502 -3.374 1
1 596 . 15 1 1 A 45 45 ASP CA C 45 53.963 54.790 -0.827 1
1 597 . 15 1 1 A 45 45 ASP CB C 45 40.263 39.241 1.022 1
1 598 . 15 1 1 A 45 45 ASP N N 45 122.276 125.676 -3.400 1
1 599 . 15 1 1 A 46 46 PRO HA H 46 3.930 4.070 -0.140 1
1 606 . 15 1 1 A 46 46 PRO C C 46 176.968 175.650 1.318 1
1 607 . 15 1 1 A 46 46 PRO CA C 46 62.964 62.953 0.011 1
1 608 . 15 1 1 A 46 46 PRO CB C 46 30.892 30.323 0.569 1
1 611 . 15 1 1 A 47 47 SER H H 47 8.018 7.786 0.232 1
1 612 . 15 1 1 A 47 47 SER HA H 47 4.676 4.349 0.327 1
1 615 . 15 1 1 A 47 47 SER C C 47 175.465 175.394 0.071 1
1 616 . 15 1 1 A 47 47 SER CA C 47 57.014 59.396 -2.382 1
1 617 . 15 1 1 A 47 47 SER CB C 47 66.436 64.057 2.379 1
1 618 . 15 1 1 A 47 47 SER N N 47 112.273 116.926 -4.653 1
1 619 . 15 1 1 A 48 48 ILE H H 48 9.489 8.861 0.628 1
1 620 . 15 1 1 A 48 48 ILE HA H 48 4.013 3.965 0.048 1
1 630 . 15 1 1 A 48 48 ILE C C 48 177.681 177.436 0.245 1
1 631 . 15 1 1 A 48 48 ILE CA C 48 64.456 65.869 -1.413 1
1 632 . 15 1 1 A 48 48 ILE CB C 48 36.382 38.065 -1.683 1
1 636 . 15 1 1 A 48 48 ILE N N 48 126.826 124.637 2.189 1
1 637 . 15 1 1 A 49 49 LYS H H 49 8.735 8.117 0.618 1
1 638 . 15 1 1 A 49 49 LYS HA H 49 3.984 4.061 -0.077 1
1 647 . 15 1 1 A 49 49 LYS C C 49 179.784 179.263 0.521 1
1 648 . 15 1 1 A 49 49 LYS CA C 49 60.562 59.246 1.316 1
1 649 . 15 1 1 A 49 49 LYS CB C 49 32.533 32.130 0.403 1
1 653 . 15 1 1 A 49 49 LYS N N 49 118.592 120.042 -1.450 1
1 654 . 15 1 1 A 50 50 SER H H 50 8.065 7.796 0.269 1
1 655 . 15 1 1 A 50 50 SER HA H 50 4.270 4.172 0.098 1
1 658 . 15 1 1 A 50 50 SER C C 50 178.135 177.453 0.682 1
1 659 . 15 1 1 A 50 50 SER CA C 50 61.431 61.707 -0.276 1
1 660 . 15 1 1 A 50 50 SER CB C 50 62.672 63.069 -0.397 1
1 661 . 15 1 1 A 50 50 SER N N 50 114.354 115.433 -1.079 1
1 662 . 15 1 1 A 51 51 SER H H 51 8.300 8.197 0.103 1
1 663 . 15 1 1 A 51 51 SER HA H 51 4.681 4.360 0.321 1
1 666 . 15 1 1 A 51 51 SER C C 51 176.245 177.579 -1.334 1
1 667 . 15 1 1 A 51 51 SER CA C 51 63.327 61.743 1.584 1
1 668 . 15 1 1 A 51 51 SER CB C 51 64.340 63.415 0.925 1
1 669 . 15 1 1 A 51 51 SER N N 51 120.855 115.448 5.407 1
1 670 . 15 1 1 A 52 52 LEU H H 52 8.849 8.596 0.253 1
1 671 . 15 1 1 A 52 52 LEU HA H 52 3.902 4.018 -0.116 1
1 681 . 15 1 1 A 52 52 LEU C C 52 178.339 178.847 -0.508 1
1 682 . 15 1 1 A 52 52 LEU CA C 52 58.600 58.128 0.472 1
1 683 . 15 1 1 A 52 52 LEU CB C 52 41.685 41.632 0.053 1
1 687 . 15 1 1 A 52 52 LEU N N 52 122.627 121.734 0.893 1
1 688 . 15 1 1 A 53 53 LYS H H 53 7.268 8.325 -1.057 1
1 689 . 15 1 1 A 53 53 LYS HA H 53 3.957 3.925 0.032 1
1 698 . 15 1 1 A 53 53 LYS C C 53 178.750 178.743 0.007 1
1 699 . 15 1 1 A 53 53 LYS CA C 53 59.867 59.668 0.199 1
1 700 . 15 1 1 A 53 53 LYS CB C 53 32.475 32.186 0.289 1
1 704 . 15 1 1 A 53 53 LYS N N 53 117.100 120.378 -3.278 1
1 705 . 15 1 1 A 54 54 PHE H H 54 7.388 7.993 -0.605 1
1 706 . 15 1 1 A 54 54 PHE HA H 54 4.167 4.155 0.012 1
1 714 . 15 1 1 A 54 54 PHE C C 54 178.975 177.129 1.846 1
1 715 . 15 1 1 A 54 54 PHE CA C 54 61.515 61.228 0.287 1
1 716 . 15 1 1 A 54 54 PHE CB C 54 39.619 38.999 0.620 1
1 722 . 15 1 1 A 54 54 PHE N N 54 117.704 120.568 -2.864 1
1 723 . 15 1 1 A 55 55 LEU H H 55 9.142 8.349 0.793 1
1 724 . 15 1 1 A 55 55 LEU HA H 55 3.720 3.815 -0.095 1
1 734 . 15 1 1 A 55 55 LEU C C 55 178.763 179.458 -0.695 1
1 735 . 15 1 1 A 55 55 LEU CA C 55 57.656 57.215 0.441 1
1 736 . 15 1 1 A 55 55 LEU CB C 55 42.837 41.102 1.735 1
1 740 . 15 1 1 A 55 55 LEU N N 55 120.396 118.461 1.935 1
1 741 . 15 1 1 A 56 56 ARG H H 56 8.338 7.899 0.439 1
1 742 . 15 1 1 A 56 56 ARG HA H 56 3.855 3.959 -0.104 1
1 750 . 15 1 1 A 56 56 ARG C C 56 176.697 179.017 -2.320 1
1 751 . 15 1 1 A 56 56 ARG CA C 56 59.452 59.655 -0.203 1
1 752 . 15 1 1 A 56 56 ARG CB C 56 30.239 30.059 0.180 1
1 755 . 15 1 1 A 56 56 ARG N N 56 116.866 119.546 -2.680 1
1 757 . 15 1 1 A 57 57 LYS H H 57 6.770 8.051 -1.281 1
1 758 . 15 1 1 A 57 57 LYS HA H 57 4.542 4.145 0.397 1
1 767 . 15 1 1 A 57 57 LYS C C 57 176.148 176.449 -0.301 1
1 768 . 15 1 1 A 57 57 LYS CA C 57 55.545 58.112 -2.567 1
1 769 . 15 1 1 A 57 57 LYS CB C 57 33.805 31.916 1.889 1
1 773 . 15 1 1 A 57 57 LYS N N 57 113.205 118.261 -5.056 1
1 774 . 15 1 1 A 58 58 THR H H 58 6.908 7.318 -0.410 1
1 775 . 15 1 1 A 58 58 THR HA H 58 4.212 4.392 -0.180 1
1 780 . 15 1 1 A 58 58 THR C C 58 173.643 174.079 -0.436 1
1 781 . 15 1 1 A 58 58 THR CA C 58 60.688 60.884 -0.196 1
1 782 . 15 1 1 A 58 58 THR CB C 58 67.557 66.209 1.348 1
1 784 . 15 1 1 A 58 58 THR N N 58 117.915 113.777 4.138 1
1 785 . 15 1 1 A 59 59 ASP H H 59 8.789 8.413 0.376 1
1 786 . 15 1 1 A 59 59 ASP HA H 59 4.128 4.211 -0.083 1
1 789 . 15 1 1 A 59 59 ASP C C 59 178.565 178.928 -0.363 1
1 790 . 15 1 1 A 59 59 ASP CA C 59 58.506 57.543 0.963 1
1 791 . 15 1 1 A 59 59 ASP CB C 59 39.530 39.979 -0.449 1
1 792 . 15 1 1 A 59 59 ASP N N 59 128.511 125.671 2.840 1
1 793 . 15 1 1 A 60 60 TRP H H 60 8.638 8.283 0.355 1
1 794 . 15 1 1 A 60 60 TRP HA H 60 4.375 4.706 -0.331 1
1 803 . 15 1 1 A 60 60 TRP C C 60 178.277 178.262 0.015 1
1 804 . 15 1 1 A 60 60 TRP CA C 60 59.183 59.369 -0.186 1
1 805 . 15 1 1 A 60 60 TRP CB C 60 26.962 27.626 -0.664 1
1 811 . 15 1 1 A 60 60 TRP N N 60 117.515 118.293 -0.778 1
1 813 . 15 1 1 A 61 61 ALA H H 61 5.533 7.133 -1.600 1
1 814 . 15 1 1 A 61 61 ALA HA H 61 3.414 3.828 -0.414 1
1 818 . 15 1 1 A 61 61 ALA C C 61 177.616 179.105 -1.489 1
1 819 . 15 1 1 A 61 61 ALA CA C 61 54.478 54.420 0.058 1
1 820 . 15 1 1 A 61 61 ALA CB C 61 17.904 18.255 -0.351 1
1 821 . 15 1 1 A 61 61 ALA N N 61 125.465 123.983 1.482 1
1 822 . 15 1 1 A 62 62 ARG H H 62 7.811 7.598 0.213 1
1 823 . 15 1 1 A 62 62 ARG HA H 62 3.617 4.003 -0.386 1
1 831 . 15 1 1 A 62 62 ARG C C 62 177.918 179.082 -1.164 1
1 832 . 15 1 1 A 62 62 ARG CA C 62 60.708 59.892 0.816 1
1 833 . 15 1 1 A 62 62 ARG CB C 62 29.156 30.099 -0.943 1
1 836 . 15 1 1 A 62 62 ARG N N 62 120.420 117.661 2.759 1
1 838 . 15 1 1 A 63 63 GLU H H 63 8.412 8.226 0.186 1
1 839 . 15 1 1 A 63 63 GLU HA H 63 4.041 4.000 0.041 1
1 844 . 15 1 1 A 63 63 GLU C C 63 178.935 179.179 -0.244 1
1 845 . 15 1 1 A 63 63 GLU CA C 63 59.509 59.333 0.176 1
1 846 . 15 1 1 A 63 63 GLU CB C 63 28.759 29.289 -0.530 1
1 848 . 15 1 1 A 63 63 GLU N N 63 117.144 119.867 -2.723 1
1 849 . 15 1 1 A 64 64 ARG H H 64 7.603 8.008 -0.405 1
1 850 . 15 1 1 A 64 64 ARG HA H 64 4.256 4.020 0.236 1
1 858 . 15 1 1 A 64 64 ARG C C 64 179.133 178.902 0.231 1
1 859 . 15 1 1 A 64 64 ARG CA C 64 59.340 59.190 0.150 1
1 860 . 15 1 1 A 64 64 ARG CB C 64 30.067 30.032 0.035 1
1 863 . 15 1 1 A 64 64 ARG N N 64 118.298 120.258 -1.960 1
1 865 . 15 1 1 A 65 65 VAL H H 65 8.065 8.385 -0.320 1
1 866 . 15 1 1 A 65 65 VAL HA H 65 3.713 3.601 0.112 1
1 874 . 15 1 1 A 65 65 VAL C C 65 177.638 177.963 -0.325 1
1 875 . 15 1 1 A 65 65 VAL CA C 65 66.891 67.157 -0.266 1
1 876 . 15 1 1 A 65 65 VAL CB C 65 31.480 31.641 -0.161 1
1 879 . 15 1 1 A 65 65 VAL N N 65 117.270 120.156 -2.886 1
1 880 . 15 1 1 A 66 66 GLU H H 66 8.583 8.420 0.163 1
1 881 . 15 1 1 A 66 66 GLU HA H 66 3.912 4.011 -0.099 1
1 886 . 15 1 1 A 66 66 GLU C C 66 178.380 179.618 -1.238 1
1 887 . 15 1 1 A 66 66 GLU CA C 66 60.256 59.926 0.330 1
1 888 . 15 1 1 A 66 66 GLU CB C 66 28.691 29.483 -0.792 1
1 890 . 15 1 1 A 66 66 GLU N N 66 119.924 118.875 1.049 1
1 891 . 15 1 1 A 67 67 ASN H H 67 8.267 8.247 0.020 1
1 892 . 15 1 1 A 67 67 ASN HA H 67 4.567 4.590 -0.023 1
1 897 . 15 1 1 A 67 67 ASN C C 67 178.338 178.105 0.233 1
1 898 . 15 1 1 A 67 67 ASN CA C 67 56.900 55.651 1.249 1
1 899 . 15 1 1 A 67 67 ASN CB C 67 38.802 38.050 0.752 1
1 901 . 15 1 1 A 67 67 ASN N N 67 117.574 117.762 -0.188 1
1 903 . 15 1 1 A 68 68 ILE H H 68 8.132 8.120 0.012 1
1 904 . 15 1 1 A 68 68 ILE HA H 68 3.726 3.856 -0.130 1
1 914 . 15 1 1 A 68 68 ILE C C 68 178.722 178.175 0.547 1
1 915 . 15 1 1 A 68 68 ILE CA C 68 65.388 64.893 0.495 1
1 916 . 15 1 1 A 68 68 ILE CB C 68 37.841 36.833 1.008 1
1 920 . 15 1 1 A 68 68 ILE N N 68 121.125 120.757 0.368 1
1 921 . 15 1 1 A 69 69 TYR H H 69 8.146 8.337 -0.191 1
1 922 . 15 1 1 A 69 69 TYR HA H 69 4.058 4.190 -0.132 1
1 929 . 15 1 1 A 69 69 TYR C C 69 177.061 177.294 -0.233 1
1 930 . 15 1 1 A 69 69 TYR CA C 69 62.828 61.548 1.280 1
1 931 . 15 1 1 A 69 69 TYR CB C 69 38.747 38.735 0.012 1
1 936 . 15 1 1 A 69 69 TYR N N 69 121.378 122.216 -0.838 1
1 937 . 15 1 1 A 70 70 LEU H H 70 8.630 8.462 0.168 1
1 938 . 15 1 1 A 70 70 LEU HA H 70 3.875 3.826 0.049 1
1 948 . 15 1 1 A 70 70 LEU C C 70 179.755 179.360 0.395 1
1 949 . 15 1 1 A 70 70 LEU CA C 70 58.230 58.238 -0.008 1
1 950 . 15 1 1 A 70 70 LEU CB C 70 41.733 41.514 0.219 1
1 954 . 15 1 1 A 70 70 LEU N N 70 120.179 119.797 0.382 1
1 955 . 15 1 1 A 71 71 LYS H H 71 7.950 8.305 -0.355 1
1 956 . 15 1 1 A 71 71 LYS HA H 71 3.957 4.100 -0.143 1
1 965 . 15 1 1 A 71 71 LYS C C 71 178.961 178.373 0.588 1
1 966 . 15 1 1 A 71 71 LYS CA C 71 59.684 58.646 1.038 1
1 967 . 15 1 1 A 71 71 LYS CB C 71 32.421 31.813 0.608 1
1 971 . 15 1 1 A 71 71 LYS N N 71 118.820 119.955 -1.135 1
1 972 . 15 1 1 A 72 72 LEU H H 72 7.731 8.214 -0.483 1
1 973 . 15 1 1 A 72 72 LEU HA H 72 4.037 4.248 -0.211 1
1 983 . 15 1 1 A 72 72 LEU C C 72 178.533 178.791 -0.258 1
1 984 . 15 1 1 A 72 72 LEU CA C 72 57.352 57.701 -0.349 1
1 985 . 15 1 1 A 72 72 LEU CB C 72 41.406 41.840 -0.434 1
1 989 . 15 1 1 A 72 72 LEU N N 72 121.367 120.977 0.390 1
1 990 . 15 1 1 A 73 73 GLN H H 73 7.884 7.979 -0.095 1
1 991 . 15 1 1 A 73 73 GLN HA H 73 3.852 3.948 -0.096 1
1 998 . 15 1 1 A 73 73 GLN C C 73 177.679 178.858 -1.179 1
1 999 . 15 1 1 A 73 73 GLN CA C 73 57.026 58.968 -1.942 1
1 1000 . 15 1 1 A 73 73 GLN CB C 73 28.148 28.098 0.050 1
1 1003 . 15 1 1 A 73 73 GLN N N 73 116.639 118.185 -1.546 1
1 1005 . 15 1 1 A 74 74 ARG H H 74 7.725 7.456 0.269 1
1 1006 . 15 1 1 A 74 74 ARG HA H 74 4.136 4.172 -0.036 1
1 1013 . 15 1 1 A 74 74 ARG C C 74 177.235 178.759 -1.524 1
1 1014 . 15 1 1 A 74 74 ARG CA C 74 57.452 57.708 -0.256 1
1 1015 . 15 1 1 A 74 74 ARG CB C 74 30.308 30.092 0.216 1
1 1018 . 15 1 1 A 74 74 ARG N N 74 118.122 118.869 -0.747 1
1 1019 . 15 1 1 A 75 75 HIS H H 75 7.982 8.478 -0.496 1
1 1020 . 15 1 1 A 75 75 HIS HA H 75 4.564 4.228 0.336 1
1 1023 . 15 1 1 A 75 75 HIS C C 75 175.202 175.659 -0.457 1
1 1024 . 15 1 1 A 75 75 HIS CA C 75 56.587 58.193 -1.606 1
1 1025 . 15 1 1 A 75 75 HIS CB C 75 28.477 30.555 -2.078 1
1 1026 . 15 1 1 A 75 75 HIS N N 75 117.995 120.082 -2.087 1
1 1027 . 15 1 1 A 76 76 LYS H H 76 8.180 7.504 0.676 1
1 1028 . 15 1 1 A 76 76 LYS HA H 76 4.148 4.023 0.125 1
1 1037 . 15 1 1 A 76 76 LYS C C 76 177.303 176.658 0.645 1
1 1038 . 15 1 1 A 76 76 LYS CA C 76 57.550 55.247 2.303 1
1 1039 . 15 1 1 A 76 76 LYS CB C 76 32.789 31.084 1.705 1
1 1043 . 15 1 1 A 76 76 LYS N N 76 121.510 118.820 2.690 1
1 1044 . 15 1 1 A 77 77 GLU H H 77 8.321 8.206 0.115 1
1 1045 . 15 1 1 A 77 77 GLU HA H 77 4.224 4.341 -0.117 1
1 1050 . 15 1 1 A 77 77 GLU C C 77 177.067 176.751 0.316 1
1 1051 . 15 1 1 A 77 77 GLU CA C 77 56.991 56.760 0.231 1
1 1052 . 15 1 1 A 77 77 GLU CB C 77 29.841 30.028 -0.187 1
1 1054 . 15 1 1 A 77 77 GLU N N 77 120.860 126.260 -5.400 1
1 1055 . 15 1 1 A 78 78 ARG H H 78 8.228 7.633 0.595 1
1 1056 . 15 1 1 A 78 78 ARG HA H 78 4.240 4.207 0.033 1
1 1063 . 15 1 1 A 78 78 ARG C C 78 176.577 175.862 0.715 1
1 1064 . 15 1 1 A 78 78 ARG CA C 78 56.786 56.489 0.297 1
1 1065 . 15 1 1 A 78 78 ARG CB C 78 30.413 30.835 -0.422 1
1 1068 . 15 1 1 A 78 78 ARG N N 78 121.081 123.141 -2.060 1
1 1069 . 15 1 1 A 79 79 ASN H H 79 8.333 8.626 -0.293 1
1 1070 . 15 1 1 A 79 79 ASN HA H 79 4.617 4.673 -0.056 1
1 1075 . 15 1 1 A 79 79 ASN C C 79 175.605 176.918 -1.313 1
1 1076 . 15 1 1 A 79 79 ASN CA C 79 53.938 53.654 0.284 1
1 1077 . 15 1 1 A 79 79 ASN CB C 79 38.748 38.967 -0.219 1
1 1079 . 15 1 1 A 79 79 ASN N N 79 118.880 125.830 -6.950 1
1 1081 . 15 1 1 A 80 80 GLN H H 80 8.285 8.749 -0.464 1
1 1082 . 15 1 1 A 80 80 GLN HA H 80 4.253 4.094 0.159 1
1 1089 . 15 1 1 A 80 80 GLN C C 80 176.304 176.370 -0.066 1
1 1090 . 15 1 1 A 80 80 GLN CA C 80 56.545 57.561 -1.016 1
1 1091 . 15 1 1 A 80 80 GLN CB C 80 29.274 27.747 1.527 1
1 1094 . 15 1 1 A 80 80 GLN N N 80 120.222 122.222 -2.000 1
1 1096 . 15 1 1 A 81 81 LEU H H 81 8.130 7.336 0.794 1
1 1097 . 15 1 1 A 81 81 LEU HA H 81 4.222 4.109 0.113 1
1 1107 . 15 1 1 A 81 81 LEU C C 81 177.542 176.835 0.707 1
1 1108 . 15 1 1 A 81 81 LEU CA C 81 55.736 55.483 0.253 1
1 1109 . 15 1 1 A 81 81 LEU CB C 81 42.196 41.875 0.321 1
1 1113 . 15 1 1 A 81 81 LEU N N 81 122.119 123.559 -1.440 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.081 4.429 -0.348 1
1 5 . 16 1 1 A 2 2 ALA C C 2 173.423 176.439 -3.016 1
1 6 . 16 1 1 A 2 2 ALA CA C 2 51.798 51.828 -0.030 1
1 7 . 16 1 1 A 2 2 ALA CB C 2 19.502 18.305 1.197 1
1 8 . 16 1 1 A 3 3 LEU H H 3 8.547 8.249 0.298 1
1 9 . 16 1 1 A 3 3 LEU HA H 3 4.394 4.850 -0.456 1
1 19 . 16 1 1 A 3 3 LEU C C 3 176.779 175.620 1.159 1
1 20 . 16 1 1 A 3 3 LEU CA C 3 55.226 53.958 1.268 1
1 21 . 16 1 1 A 3 3 LEU CB C 3 42.472 42.681 -0.209 1
1 25 . 16 1 1 A 3 3 LEU N N 3 122.089 124.475 -2.386 1
1 26 . 16 1 1 A 4 4 ILE H H 4 8.319 9.112 -0.793 1
1 27 . 16 1 1 A 4 4 ILE HA H 4 4.167 4.635 -0.468 1
1 37 . 16 1 1 A 4 4 ILE C C 4 176.138 175.315 0.823 1
1 38 . 16 1 1 A 4 4 ILE CA C 4 60.894 60.820 0.074 1
1 39 . 16 1 1 A 4 4 ILE CB C 4 38.595 39.809 -1.214 1
1 43 . 16 1 1 A 4 4 ILE N N 4 123.468 125.212 -1.744 1
1 44 . 16 1 1 A 5 5 MET H H 5 8.574 8.850 -0.276 1
1 45 . 16 1 1 A 5 5 MET HA H 5 4.584 4.817 -0.233 1
1 50 . 16 1 1 A 5 5 MET C C 5 176.274 176.881 -0.607 1
1 51 . 16 1 1 A 5 5 MET CA C 5 55.348 54.262 1.086 1
1 52 . 16 1 1 A 5 5 MET CB C 5 32.961 32.584 0.377 1
1 54 . 16 1 1 A 5 5 MET N N 5 125.527 128.016 -2.489 1
1 55 . 16 1 1 A 6 6 THR H H 6 8.172 8.131 0.041 1
1 56 . 16 1 1 A 6 6 THR HA H 6 4.331 4.081 0.250 1
1 61 . 16 1 1 A 6 6 THR C C 6 174.578 175.181 -0.603 1
1 62 . 16 1 1 A 6 6 THR CA C 6 61.849 64.909 -3.060 1
1 63 . 16 1 1 A 6 6 THR CB C 6 69.904 68.622 1.282 1
1 65 . 16 1 1 A 6 6 THR N N 6 115.487 112.845 2.642 1
1 66 . 16 1 1 A 7 7 GLN H H 7 8.461 7.938 0.523 1
1 67 . 16 1 1 A 7 7 GLN HA H 7 4.317 4.340 -0.023 1
1 74 . 16 1 1 A 7 7 GLN C C 7 176.108 175.356 0.752 1
1 75 . 16 1 1 A 7 7 GLN CA C 7 56.149 56.357 -0.208 1
1 76 . 16 1 1 A 7 7 GLN CB C 7 29.491 29.354 0.137 1
1 79 . 16 1 1 A 7 7 GLN N N 7 122.199 122.965 -0.766 1
1 81 . 16 1 1 A 8 8 GLN H H 8 8.418 8.694 -0.276 1
1 82 . 16 1 1 A 8 8 GLN HA H 8 4.219 4.908 -0.689 1
1 89 . 16 1 1 A 8 8 GLN C C 8 175.704 174.682 1.022 1
1 90 . 16 1 1 A 8 8 GLN CA C 8 56.112 53.850 2.262 1
1 91 . 16 1 1 A 8 8 GLN CB C 8 29.435 32.523 -3.088 1
1 94 . 16 1 1 A 8 8 GLN N N 8 121.100 124.204 -3.104 1
1 96 . 16 1 1 A 9 9 ASN H H 9 8.404 8.742 -0.338 1
1 97 . 16 1 1 A 9 9 ASN HA H 9 4.654 4.744 -0.090 1
1 102 . 16 1 1 A 9 9 ASN C C 9 174.445 175.264 -0.819 1
1 103 . 16 1 1 A 9 9 ASN CA C 9 53.190 53.875 -0.685 1
1 104 . 16 1 1 A 9 9 ASN CB C 9 38.913 38.563 0.350 1
1 106 . 16 1 1 A 9 9 ASN N N 9 119.104 121.470 -2.366 1
1 108 . 16 1 1 A 10 10 ASN H H 10 8.306 8.624 -0.318 1
1 109 . 16 1 1 A 10 10 ASN HA H 10 4.964 5.252 -0.288 1
1 114 . 16 1 1 A 10 10 ASN C C 10 174.315 174.575 -0.260 1
1 115 . 16 1 1 A 10 10 ASN CA C 10 51.318 50.711 0.607 1
1 116 . 16 1 1 A 10 10 ASN CB C 10 38.992 38.576 0.416 1
1 118 . 16 1 1 A 10 10 ASN N N 10 119.847 121.319 -1.472 1
1 120 . 16 1 1 A 11 11 PRO HA H 11 4.427 4.303 0.124 1
1 127 . 16 1 1 A 11 11 PRO C C 11 177.095 178.015 -0.920 1
1 128 . 16 1 1 A 11 11 PRO CA C 11 64.214 65.413 -1.199 1
1 129 . 16 1 1 A 11 11 PRO CB C 11 32.355 31.990 0.365 1
1 132 . 16 1 1 A 12 12 LEU H H 12 8.102 8.090 0.012 1
1 133 . 16 1 1 A 12 12 LEU HA H 12 4.320 4.340 -0.020 1
1 143 . 16 1 1 A 12 12 LEU C C 12 177.341 177.456 -0.115 1
1 144 . 16 1 1 A 12 12 LEU CA C 12 54.883 56.446 -1.563 1
1 145 . 16 1 1 A 12 12 LEU CB C 12 41.300 43.413 -2.113 1
1 149 . 16 1 1 A 12 12 LEU N N 12 117.525 116.151 1.374 1
1 150 . 16 1 1 A 13 13 HIS H H 13 8.004 8.007 -0.003 1
1 151 . 16 1 1 A 13 13 HIS HA H 13 4.453 4.820 -0.367 1
1 154 . 16 1 1 A 13 13 HIS C C 13 175.375 174.702 0.673 1
1 155 . 16 1 1 A 13 13 HIS CA C 13 56.796 54.216 2.580 1
1 156 . 16 1 1 A 13 13 HIS CB C 13 28.248 30.327 -2.079 1
1 157 . 16 1 1 A 13 13 HIS N N 13 117.833 119.286 -1.453 1
1 158 . 16 1 1 A 14 14 GLY H H 14 8.530 8.330 0.200 1
1 159 . 16 1 1 A 14 14 GLY HA2 H 14 3.930 3.657 0.273 1
1 160 . 16 1 1 A 14 14 GLY HA3 H 14 3.755 3.826 -0.071 1
1 161 . 16 1 1 A 14 14 GLY C C 14 173.536 173.529 0.007 1
1 162 . 16 1 1 A 14 14 GLY CA C 14 45.529 45.807 -0.278 1
1 163 . 16 1 1 A 14 14 GLY N N 14 110.385 111.916 -1.531 1
1 164 . 16 1 1 A 15 15 ILE H H 15 7.563 7.983 -0.420 1
1 165 . 16 1 1 A 15 15 ILE HA H 15 4.392 4.400 -0.008 1
1 175 . 16 1 1 A 15 15 ILE C C 15 174.878 175.742 -0.864 1
1 176 . 16 1 1 A 15 15 ILE CA C 15 60.102 60.182 -0.080 1
1 177 . 16 1 1 A 15 15 ILE CB C 15 39.383 39.594 -0.211 1
1 181 . 16 1 1 A 15 15 ILE N N 15 120.363 119.722 0.641 1
1 182 . 16 1 1 A 16 16 THR H H 16 7.643 8.732 -1.089 1
1 183 . 16 1 1 A 16 16 THR HA H 16 4.381 4.626 -0.245 1
1 188 . 16 1 1 A 16 16 THR C C 16 174.950 175.516 -0.566 1
1 189 . 16 1 1 A 16 16 THR CA C 16 60.355 60.602 -0.247 1
1 190 . 16 1 1 A 16 16 THR CB C 16 70.834 71.087 -0.253 1
1 192 . 16 1 1 A 16 16 THR N N 16 115.980 119.737 -3.757 1
1 193 . 16 1 1 A 17 17 LEU H H 17 8.712 8.821 -0.109 1
1 194 . 16 1 1 A 17 17 LEU HA H 17 4.029 4.028 0.001 1
1 204 . 16 1 1 A 17 17 LEU C C 17 178.125 177.905 0.220 1
1 205 . 16 1 1 A 17 17 LEU CA C 17 57.582 58.423 -0.841 1
1 206 . 16 1 1 A 17 17 LEU CB C 17 40.906 41.204 -0.298 1
1 210 . 16 1 1 A 17 17 LEU N N 17 123.337 123.501 -0.164 1
1 211 . 16 1 1 A 18 18 GLN H H 18 8.611 8.335 0.276 1
1 212 . 16 1 1 A 18 18 GLN HA H 18 3.774 4.002 -0.228 1
1 219 . 16 1 1 A 18 18 GLN C C 18 178.211 178.216 -0.005 1
1 220 . 16 1 1 A 18 18 GLN CA C 18 60.388 59.216 1.172 1
1 221 . 16 1 1 A 18 18 GLN CB C 18 27.809 28.696 -0.887 1
1 224 . 16 1 1 A 18 18 GLN N N 18 116.423 118.668 -2.245 1
1 226 . 16 1 1 A 19 19 LYS H H 19 7.861 7.429 0.432 1
1 227 . 16 1 1 A 19 19 LYS HA H 19 3.957 4.077 -0.120 1
1 236 . 16 1 1 A 19 19 LYS C C 19 177.806 178.597 -0.791 1
1 237 . 16 1 1 A 19 19 LYS CA C 19 59.684 59.180 0.504 1
1 238 . 16 1 1 A 19 19 LYS CB C 19 32.300 32.002 0.298 1
1 242 . 16 1 1 A 19 19 LYS N N 19 123.583 119.876 3.707 1
1 243 . 16 1 1 A 20 20 LEU H H 20 8.223 8.193 0.030 1
1 244 . 16 1 1 A 20 20 LEU HA H 20 3.418 3.448 -0.030 1
1 254 . 16 1 1 A 20 20 LEU C C 20 178.417 178.333 0.084 1
1 255 . 16 1 1 A 20 20 LEU CA C 20 59.301 57.988 1.313 1
1 256 . 16 1 1 A 20 20 LEU CB C 20 41.370 41.425 -0.055 1
1 260 . 16 1 1 A 20 20 LEU N N 20 121.397 120.843 0.554 1
1 261 . 16 1 1 A 21 21 LEU H H 21 8.649 8.379 0.270 1
1 262 . 16 1 1 A 21 21 LEU HA H 21 3.872 3.929 -0.057 1
1 272 . 16 1 1 A 21 21 LEU C C 21 178.009 178.523 -0.514 1
1 273 . 16 1 1 A 21 21 LEU CA C 21 58.027 58.039 -0.012 1
1 274 . 16 1 1 A 21 21 LEU CB C 21 42.279 41.536 0.743 1
1 278 . 16 1 1 A 21 21 LEU N N 21 118.999 119.728 -0.729 1
1 279 . 16 1 1 A 22 22 THR H H 22 8.025 7.941 0.084 1
1 280 . 16 1 1 A 22 22 THR HA H 22 3.592 3.800 -0.208 1
1 285 . 16 1 1 A 22 22 THR C C 22 176.358 176.337 0.021 1
1 286 . 16 1 1 A 22 22 THR CA C 22 67.879 66.502 1.377 1
1 287 . 16 1 1 A 22 22 THR CB C 22 68.717 68.592 0.125 1
1 289 . 16 1 1 A 22 22 THR N N 22 115.015 114.778 0.237 1
1 290 . 16 1 1 A 23 23 GLU H H 23 8.158 8.434 -0.276 1
1 291 . 16 1 1 A 23 23 GLU HA H 23 4.068 4.037 0.031 1
1 296 . 16 1 1 A 23 23 GLU C C 23 180.091 180.064 0.027 1
1 297 . 16 1 1 A 23 23 GLU CA C 23 59.845 59.683 0.162 1
1 298 . 16 1 1 A 23 23 GLU CB C 23 29.101 29.609 -0.508 1
1 300 . 16 1 1 A 23 23 GLU N N 23 120.691 119.526 1.165 1
1 301 . 16 1 1 A 24 24 LEU H H 24 8.121 7.785 0.336 1
1 302 . 16 1 1 A 24 24 LEU HA H 24 4.140 4.335 -0.195 1
1 312 . 16 1 1 A 24 24 LEU C C 24 179.047 179.121 -0.074 1
1 313 . 16 1 1 A 24 24 LEU CA C 24 58.438 57.990 0.448 1
1 314 . 16 1 1 A 24 24 LEU CB C 24 42.715 41.562 1.153 1
1 318 . 16 1 1 A 24 24 LEU N N 24 119.210 120.594 -1.384 1
1 319 . 16 1 1 A 25 25 VAL H H 25 8.577 8.012 0.565 1
1 320 . 16 1 1 A 25 25 VAL HA H 25 2.698 3.188 -0.490 1
1 328 . 16 1 1 A 25 25 VAL C C 25 179.143 178.070 1.073 1
1 329 . 16 1 1 A 25 25 VAL CA C 25 67.077 66.939 0.138 1
1 330 . 16 1 1 A 25 25 VAL CB C 25 31.127 30.867 0.260 1
1 333 . 16 1 1 A 25 25 VAL N N 25 122.036 120.455 1.581 1
1 334 . 16 1 1 A 26 26 GLU H H 26 8.216 7.832 0.384 1
1 335 . 16 1 1 A 26 26 GLU HA H 26 3.858 3.986 -0.128 1
1 340 . 16 1 1 A 26 26 GLU C C 26 177.409 179.099 -1.690 1
1 341 . 16 1 1 A 26 26 GLU CA C 26 59.105 58.901 0.204 1
1 342 . 16 1 1 A 26 26 GLU CB C 26 29.025 29.830 -0.805 1
1 344 . 16 1 1 A 26 26 GLU N N 26 119.262 119.302 -0.040 1
1 345 . 16 1 1 A 27 27 HIS H H 27 7.815 7.955 -0.140 1
1 346 . 16 1 1 A 27 27 HIS HA H 27 4.183 4.175 0.008 1
1 349 . 16 1 1 A 27 27 HIS C C 27 175.618 175.910 -0.292 1
1 350 . 16 1 1 A 27 27 HIS CA C 27 58.932 59.036 -0.104 1
1 351 . 16 1 1 A 27 27 HIS CB C 27 29.358 30.648 -1.290 1
1 352 . 16 1 1 A 27 27 HIS N N 27 114.100 119.132 -5.032 1
1 353 . 16 1 1 A 28 28 TYR H H 28 8.628 8.060 0.568 1
1 354 . 16 1 1 A 28 28 TYR HA H 28 4.424 4.439 -0.015 1
1 361 . 16 1 1 A 28 28 TYR C C 28 177.445 176.567 0.878 1
1 362 . 16 1 1 A 28 28 TYR CA C 28 60.294 59.537 0.757 1
1 363 . 16 1 1 A 28 28 TYR CB C 28 40.851 39.962 0.889 1
1 368 . 16 1 1 A 28 28 TYR N N 28 113.706 114.422 -0.716 1
1 369 . 16 1 1 A 29 29 GLY H H 29 7.713 7.807 -0.094 1
1 370 . 16 1 1 A 29 29 GLY HA2 H 29 4.366 3.929 0.437 1
1 371 . 16 1 1 A 29 29 GLY HA3 H 29 3.846 4.062 -0.216 1
1 372 . 16 1 1 A 29 29 GLY C C 29 172.549 175.137 -2.588 1
1 373 . 16 1 1 A 29 29 GLY CA C 29 44.258 44.382 -0.124 1
1 374 . 16 1 1 A 29 29 GLY N N 29 107.840 105.337 2.503 1
1 375 . 16 1 1 A 30 30 TRP H H 30 7.960 8.670 -0.710 1
1 376 . 16 1 1 A 30 30 TRP HA H 30 4.136 4.094 0.042 1
1 385 . 16 1 1 A 30 30 TRP C C 30 178.090 178.507 -0.417 1
1 386 . 16 1 1 A 30 30 TRP CA C 30 60.502 59.764 0.738 1
1 387 . 16 1 1 A 30 30 TRP CB C 30 30.304 28.997 1.307 1
1 393 . 16 1 1 A 30 30 TRP N N 30 118.175 122.386 -4.211 1
1 395 . 16 1 1 A 31 31 GLU H H 31 8.549 8.620 -0.071 1
1 396 . 16 1 1 A 31 31 GLU HA H 31 3.992 4.496 -0.504 1
1 401 . 16 1 1 A 31 31 GLU C C 31 179.942 177.534 2.408 1
1 402 . 16 1 1 A 31 31 GLU CA C 31 60.090 58.459 1.631 1
1 403 . 16 1 1 A 31 31 GLU CB C 31 28.474 29.322 -0.848 1
1 405 . 16 1 1 A 31 31 GLU N N 31 118.099 118.404 -0.305 1
1 406 . 16 1 1 A 32 32 GLU H H 32 8.962 7.925 1.037 1
1 407 . 16 1 1 A 32 32 GLU HA H 32 4.137 4.419 -0.282 1
1 412 . 16 1 1 A 32 32 GLU C C 32 179.651 178.958 0.693 1
1 413 . 16 1 1 A 32 32 GLU CA C 32 58.745 57.903 0.842 1
1 414 . 16 1 1 A 32 32 GLU CB C 32 28.145 30.552 -2.407 1
1 416 . 16 1 1 A 32 32 GLU N N 32 120.094 118.616 1.478 1
1 417 . 16 1 1 A 33 33 LEU H H 33 7.748 8.084 -0.336 1
1 418 . 16 1 1 A 33 33 LEU HA H 33 3.922 3.977 -0.055 1
1 428 . 16 1 1 A 33 33 LEU C C 33 178.833 179.333 -0.500 1
1 429 . 16 1 1 A 33 33 LEU CA C 33 58.577 57.822 0.755 1
1 430 . 16 1 1 A 33 33 LEU CB C 33 41.269 41.172 0.097 1
1 434 . 16 1 1 A 33 33 LEU N N 33 118.890 120.799 -1.909 1
1 435 . 16 1 1 A 34 34 SER H H 34 8.607 8.325 0.282 1
1 436 . 16 1 1 A 34 34 SER HA H 34 4.642 4.617 0.025 1
1 439 . 16 1 1 A 34 34 SER C C 34 175.346 175.421 -0.075 1
1 440 . 16 1 1 A 34 34 SER CA C 34 61.247 61.178 0.069 1
1 441 . 16 1 1 A 34 34 SER CB C 34 63.043 63.329 -0.286 1
1 442 . 16 1 1 A 34 34 SER N N 34 114.464 113.812 0.652 1
1 443 . 16 1 1 A 35 35 TYR H H 35 7.395 7.705 -0.310 1
1 444 . 16 1 1 A 35 35 TYR HA H 35 4.537 4.555 -0.018 1
1 451 . 16 1 1 A 35 35 TYR C C 35 177.940 178.283 -0.343 1
1 452 . 16 1 1 A 35 35 TYR CA C 35 58.907 60.302 -1.395 1
1 453 . 16 1 1 A 35 35 TYR CB C 35 37.852 39.400 -1.548 1
1 458 . 16 1 1 A 35 35 TYR N N 35 120.804 120.398 0.406 1
1 459 . 16 1 1 A 36 36 MET H H 36 7.840 8.352 -0.512 1
1 460 . 16 1 1 A 36 36 MET HA H 36 4.158 4.267 -0.109 1
1 468 . 16 1 1 A 36 36 MET C C 36 177.049 177.034 0.015 1
1 469 . 16 1 1 A 36 36 MET CA C 36 58.684 58.713 -0.029 1
1 470 . 16 1 1 A 36 36 MET CB C 36 34.927 33.433 1.494 1
1 473 . 16 1 1 A 36 36 MET N N 36 118.425 118.532 -0.107 1
1 474 . 16 1 1 A 37 37 VAL H H 37 8.469 8.326 0.143 1
1 475 . 16 1 1 A 37 37 VAL HA H 37 4.265 4.299 -0.034 1
1 483 . 16 1 1 A 37 37 VAL C C 37 173.959 175.128 -1.169 1
1 484 . 16 1 1 A 37 37 VAL CA C 37 61.621 62.139 -0.518 1
1 485 . 16 1 1 A 37 37 VAL CB C 37 32.527 30.887 1.640 1
1 488 . 16 1 1 A 37 37 VAL N N 37 117.997 118.348 -0.351 1
1 489 . 16 1 1 A 38 38 ASN H H 38 8.677 9.141 -0.464 1
1 490 . 16 1 1 A 38 38 ASN HA H 38 4.948 5.294 -0.346 1
1 495 . 16 1 1 A 38 38 ASN C C 38 174.710 174.664 0.046 1
1 496 . 16 1 1 A 38 38 ASN CA C 38 53.444 52.846 0.598 1
1 497 . 16 1 1 A 38 38 ASN CB C 38 37.001 37.984 -0.983 1
1 499 . 16 1 1 A 38 38 ASN N N 38 123.121 126.733 -3.612 1
1 501 . 16 1 1 A 39 39 ILE H H 39 7.744 8.095 -0.351 1
1 502 . 16 1 1 A 39 39 ILE HA H 39 4.655 4.674 -0.019 1
1 512 . 16 1 1 A 39 39 ILE C C 39 176.996 175.720 1.276 1
1 513 . 16 1 1 A 39 39 ILE CA C 39 59.201 58.337 0.864 1
1 514 . 16 1 1 A 39 39 ILE CB C 39 40.558 41.231 -0.673 1
1 518 . 16 1 1 A 39 39 ILE N N 39 115.722 121.824 -6.102 1
1 519 . 16 1 1 A 40 40 ASN H H 40 8.881 8.856 0.025 1
1 520 . 16 1 1 A 40 40 ASN HA H 40 4.192 4.295 -0.103 1
1 525 . 16 1 1 A 40 40 ASN C C 40 177.705 176.425 1.280 1
1 526 . 16 1 1 A 40 40 ASN CA C 40 56.883 54.889 1.994 1
1 527 . 16 1 1 A 40 40 ASN CB C 40 38.313 38.211 0.102 1
1 529 . 16 1 1 A 40 40 ASN N N 40 124.600 121.709 2.891 1
1 531 . 16 1 1 A 41 41 CYS H H 41 8.034 7.445 0.589 1
1 532 . 16 1 1 A 41 41 CYS HA H 41 4.373 3.957 0.416 1
1 535 . 16 1 1 A 41 41 CYS C C 41 174.303 175.692 -1.389 1
1 536 . 16 1 1 A 41 41 CYS CA C 41 59.164 61.829 -2.665 1
1 537 . 16 1 1 A 41 41 CYS CB C 41 26.126 26.482 -0.356 1
1 538 . 16 1 1 A 41 41 CYS N N 41 115.097 117.507 -2.410 1
1 539 . 16 1 1 A 42 42 PHE H H 42 7.031 7.217 -0.186 1
1 540 . 16 1 1 A 42 42 PHE HA H 42 4.937 4.355 0.582 1
1 548 . 16 1 1 A 42 42 PHE C C 42 174.437 176.911 -2.474 1
1 549 . 16 1 1 A 42 42 PHE CA C 42 54.439 59.197 -4.758 1
1 550 . 16 1 1 A 42 42 PHE CB C 42 38.059 40.108 -2.049 1
1 556 . 16 1 1 A 42 42 PHE N N 42 117.304 118.536 -1.232 1
1 557 . 16 1 1 A 43 43 LYS H H 43 7.371 7.464 -0.093 1
1 558 . 16 1 1 A 43 43 LYS HA H 43 4.304 4.389 -0.085 1
1 567 . 16 1 1 A 43 43 LYS C C 43 175.800 176.403 -0.603 1
1 568 . 16 1 1 A 43 43 LYS CA C 43 57.474 57.171 0.303 1
1 569 . 16 1 1 A 43 43 LYS CB C 43 34.978 33.820 1.158 1
1 573 . 16 1 1 A 43 43 LYS N N 43 116.029 117.082 -1.053 1
1 574 . 16 1 1 A 44 44 LYS H H 44 7.593 8.067 -0.474 1
1 575 . 16 1 1 A 44 44 LYS HA H 44 4.302 4.540 -0.238 1
1 584 . 16 1 1 A 44 44 LYS C C 44 173.608 175.754 -2.146 1
1 585 . 16 1 1 A 44 44 LYS CA C 44 55.169 55.086 0.083 1
1 586 . 16 1 1 A 44 44 LYS CB C 44 33.123 34.225 -1.102 1
1 590 . 16 1 1 A 44 44 LYS N N 44 119.851 119.659 0.192 1
1 591 . 16 1 1 A 45 45 ASP H H 45 8.774 8.843 -0.069 1
1 592 . 16 1 1 A 45 45 ASP HA H 45 4.200 4.083 0.117 1
1 595 . 16 1 1 A 45 45 ASP C C 45 172.128 174.606 -2.478 1
1 596 . 16 1 1 A 45 45 ASP CA C 45 53.963 54.790 -0.827 1
1 597 . 16 1 1 A 45 45 ASP CB C 45 40.263 39.268 0.995 1
1 598 . 16 1 1 A 45 45 ASP N N 45 122.276 122.481 -0.205 1
1 599 . 16 1 1 A 46 46 PRO HA H 46 3.930 4.413 -0.483 1
1 606 . 16 1 1 A 46 46 PRO C C 46 176.968 174.738 2.230 1
1 607 . 16 1 1 A 46 46 PRO CA C 46 62.964 62.318 0.646 1
1 608 . 16 1 1 A 46 46 PRO CB C 46 30.892 30.240 0.652 1
1 611 . 16 1 1 A 47 47 SER H H 47 8.018 7.906 0.112 1
1 612 . 16 1 1 A 47 47 SER HA H 47 4.676 4.840 -0.164 1
1 615 . 16 1 1 A 47 47 SER C C 47 175.465 174.177 1.288 1
1 616 . 16 1 1 A 47 47 SER CA C 47 57.014 56.701 0.313 1
1 617 . 16 1 1 A 47 47 SER CB C 47 66.436 65.137 1.299 1
1 618 . 16 1 1 A 47 47 SER N N 47 112.273 117.868 -5.595 1
1 619 . 16 1 1 A 48 48 ILE H H 48 9.489 9.063 0.426 1
1 620 . 16 1 1 A 48 48 ILE HA H 48 4.013 4.157 -0.144 1
1 630 . 16 1 1 A 48 48 ILE C C 48 177.681 178.192 -0.511 1
1 631 . 16 1 1 A 48 48 ILE CA C 48 64.456 65.930 -1.474 1
1 632 . 16 1 1 A 48 48 ILE CB C 48 36.382 37.889 -1.507 1
1 636 . 16 1 1 A 48 48 ILE N N 48 126.826 127.389 -0.563 1
1 637 . 16 1 1 A 49 49 LYS H H 49 8.735 7.755 0.980 1
1 638 . 16 1 1 A 49 49 LYS HA H 49 3.984 4.039 -0.055 1
1 647 . 16 1 1 A 49 49 LYS C C 49 179.784 179.046 0.738 1
1 648 . 16 1 1 A 49 49 LYS CA C 49 60.562 59.061 1.501 1
1 649 . 16 1 1 A 49 49 LYS CB C 49 32.533 32.138 0.395 1
1 653 . 16 1 1 A 49 49 LYS N N 49 118.592 121.458 -2.866 1
1 654 . 16 1 1 A 50 50 SER H H 50 8.065 8.167 -0.102 1
1 655 . 16 1 1 A 50 50 SER HA H 50 4.270 4.249 0.021 1
1 658 . 16 1 1 A 50 50 SER C C 50 178.135 175.997 2.138 1
1 659 . 16 1 1 A 50 50 SER CA C 50 61.431 61.672 -0.241 1
1 660 . 16 1 1 A 50 50 SER CB C 50 62.672 63.010 -0.338 1
1 661 . 16 1 1 A 50 50 SER N N 50 114.354 117.567 -3.213 1
1 662 . 16 1 1 A 51 51 SER H H 51 8.300 8.114 0.186 1
1 663 . 16 1 1 A 51 51 SER HA H 51 4.681 4.632 0.049 1
1 666 . 16 1 1 A 51 51 SER C C 51 176.245 177.515 -1.270 1
1 667 . 16 1 1 A 51 51 SER CA C 51 63.327 61.533 1.794 1
1 668 . 16 1 1 A 51 51 SER CB C 51 64.340 63.127 1.213 1
1 669 . 16 1 1 A 51 51 SER N N 51 120.855 117.286 3.569 1
1 670 . 16 1 1 A 52 52 LEU H H 52 8.849 8.772 0.077 1
1 671 . 16 1 1 A 52 52 LEU HA H 52 3.902 4.005 -0.103 1
1 681 . 16 1 1 A 52 52 LEU C C 52 178.339 179.392 -1.053 1
1 682 . 16 1 1 A 52 52 LEU CA C 52 58.600 58.117 0.483 1
1 683 . 16 1 1 A 52 52 LEU CB C 52 41.685 41.649 0.036 1
1 687 . 16 1 1 A 52 52 LEU N N 52 122.627 122.336 0.291 1
1 688 . 16 1 1 A 53 53 LYS H H 53 7.268 8.131 -0.863 1
1 689 . 16 1 1 A 53 53 LYS HA H 53 3.957 4.089 -0.132 1
1 698 . 16 1 1 A 53 53 LYS C C 53 178.750 178.746 0.004 1
1 699 . 16 1 1 A 53 53 LYS CA C 53 59.867 58.849 1.018 1
1 700 . 16 1 1 A 53 53 LYS CB C 53 32.475 32.145 0.330 1
1 704 . 16 1 1 A 53 53 LYS N N 53 117.100 117.946 -0.846 1
1 705 . 16 1 1 A 54 54 PHE H H 54 7.388 8.305 -0.917 1
1 706 . 16 1 1 A 54 54 PHE HA H 54 4.167 4.047 0.120 1
1 714 . 16 1 1 A 54 54 PHE C C 54 178.975 176.854 2.121 1
1 715 . 16 1 1 A 54 54 PHE CA C 54 61.515 61.317 0.198 1
1 716 . 16 1 1 A 54 54 PHE CB C 54 39.619 38.998 0.621 1
1 722 . 16 1 1 A 54 54 PHE N N 54 117.704 120.720 -3.016 1
1 723 . 16 1 1 A 55 55 LEU H H 55 9.142 8.556 0.586 1
1 724 . 16 1 1 A 55 55 LEU HA H 55 3.720 3.850 -0.130 1
1 734 . 16 1 1 A 55 55 LEU C C 55 178.763 178.643 0.120 1
1 735 . 16 1 1 A 55 55 LEU CA C 55 57.656 57.620 0.036 1
1 736 . 16 1 1 A 55 55 LEU CB C 55 42.837 41.393 1.444 1
1 740 . 16 1 1 A 55 55 LEU N N 55 120.396 118.821 1.575 1
1 741 . 16 1 1 A 56 56 ARG H H 56 8.338 8.096 0.242 1
1 742 . 16 1 1 A 56 56 ARG HA H 56 3.855 4.216 -0.361 1
1 750 . 16 1 1 A 56 56 ARG C C 56 176.697 176.815 -0.118 1
1 751 . 16 1 1 A 56 56 ARG CA C 56 59.452 57.813 1.639 1
1 752 . 16 1 1 A 56 56 ARG CB C 56 30.239 29.811 0.428 1
1 755 . 16 1 1 A 56 56 ARG N N 56 116.866 117.819 -0.953 1
1 757 . 16 1 1 A 57 57 LYS H H 57 6.770 7.865 -1.095 1
1 758 . 16 1 1 A 57 57 LYS HA H 57 4.542 4.412 0.130 1
1 767 . 16 1 1 A 57 57 LYS C C 57 176.148 175.666 0.482 1
1 768 . 16 1 1 A 57 57 LYS CA C 57 55.545 57.105 -1.560 1
1 769 . 16 1 1 A 57 57 LYS CB C 57 33.805 34.359 -0.554 1
1 773 . 16 1 1 A 57 57 LYS N N 57 113.205 118.483 -5.278 1
1 774 . 16 1 1 A 58 58 THR H H 58 6.908 7.840 -0.932 1
1 775 . 16 1 1 A 58 58 THR HA H 58 4.212 4.250 -0.038 1
1 780 . 16 1 1 A 58 58 THR C C 58 173.643 173.823 -0.180 1
1 781 . 16 1 1 A 58 58 THR CA C 58 60.688 61.155 -0.467 1
1 782 . 16 1 1 A 58 58 THR CB C 58 67.557 68.753 -1.196 1
1 784 . 16 1 1 A 58 58 THR N N 58 117.915 112.295 5.620 1
1 785 . 16 1 1 A 59 59 ASP H H 59 8.789 8.851 -0.062 1
1 786 . 16 1 1 A 59 59 ASP HA H 59 4.128 4.196 -0.068 1
1 789 . 16 1 1 A 59 59 ASP C C 59 178.565 178.999 -0.434 1
1 790 . 16 1 1 A 59 59 ASP CA C 59 58.506 57.725 0.781 1
1 791 . 16 1 1 A 59 59 ASP CB C 59 39.530 40.500 -0.970 1
1 792 . 16 1 1 A 59 59 ASP N N 59 128.511 126.928 1.583 1
1 793 . 16 1 1 A 60 60 TRP H H 60 8.638 8.177 0.461 1
1 794 . 16 1 1 A 60 60 TRP HA H 60 4.375 4.509 -0.134 1
1 803 . 16 1 1 A 60 60 TRP C C 60 178.277 177.893 0.384 1
1 804 . 16 1 1 A 60 60 TRP CA C 60 59.183 58.953 0.230 1
1 805 . 16 1 1 A 60 60 TRP CB C 60 26.962 27.733 -0.771 1
1 811 . 16 1 1 A 60 60 TRP N N 60 117.515 118.209 -0.694 1
1 813 . 16 1 1 A 61 61 ALA H H 61 5.533 7.574 -2.041 1
1 814 . 16 1 1 A 61 61 ALA HA H 61 3.414 4.063 -0.649 1
1 818 . 16 1 1 A 61 61 ALA C C 61 177.616 179.440 -1.824 1
1 819 . 16 1 1 A 61 61 ALA CA C 61 54.478 54.920 -0.442 1
1 820 . 16 1 1 A 61 61 ALA CB C 61 17.904 18.366 -0.462 1
1 821 . 16 1 1 A 61 61 ALA N N 61 125.465 124.464 1.001 1
1 822 . 16 1 1 A 62 62 ARG H H 62 7.811 7.597 0.214 1
1 823 . 16 1 1 A 62 62 ARG HA H 62 3.617 4.008 -0.391 1
1 831 . 16 1 1 A 62 62 ARG C C 62 177.918 178.518 -0.600 1
1 832 . 16 1 1 A 62 62 ARG CA C 62 60.708 59.954 0.754 1
1 833 . 16 1 1 A 62 62 ARG CB C 62 29.156 30.081 -0.925 1
1 836 . 16 1 1 A 62 62 ARG N N 62 120.420 117.912 2.508 1
1 838 . 16 1 1 A 63 63 GLU H H 63 8.412 8.139 0.273 1
1 839 . 16 1 1 A 63 63 GLU HA H 63 4.041 4.136 -0.095 1
1 844 . 16 1 1 A 63 63 GLU C C 63 178.935 178.439 0.496 1
1 845 . 16 1 1 A 63 63 GLU CA C 63 59.509 59.365 0.144 1
1 846 . 16 1 1 A 63 63 GLU CB C 63 28.759 29.296 -0.537 1
1 848 . 16 1 1 A 63 63 GLU N N 63 117.144 118.010 -0.866 1
1 849 . 16 1 1 A 64 64 ARG H H 64 7.603 7.854 -0.251 1
1 850 . 16 1 1 A 64 64 ARG HA H 64 4.256 4.176 0.080 1
1 858 . 16 1 1 A 64 64 ARG C C 64 179.133 178.443 0.690 1
1 859 . 16 1 1 A 64 64 ARG CA C 64 59.340 58.898 0.442 1
1 860 . 16 1 1 A 64 64 ARG CB C 64 30.067 30.400 -0.333 1
1 863 . 16 1 1 A 64 64 ARG N N 64 118.298 119.355 -1.057 1
1 865 . 16 1 1 A 65 65 VAL H H 65 8.065 8.088 -0.023 1
1 866 . 16 1 1 A 65 65 VAL HA H 65 3.713 3.549 0.164 1
1 874 . 16 1 1 A 65 65 VAL C C 65 177.638 177.860 -0.222 1
1 875 . 16 1 1 A 65 65 VAL CA C 65 66.891 66.527 0.364 1
1 876 . 16 1 1 A 65 65 VAL CB C 65 31.480 31.662 -0.182 1
1 879 . 16 1 1 A 65 65 VAL N N 65 117.270 120.109 -2.839 1
1 880 . 16 1 1 A 66 66 GLU H H 66 8.583 8.737 -0.154 1
1 881 . 16 1 1 A 66 66 GLU HA H 66 3.912 3.961 -0.049 1
1 886 . 16 1 1 A 66 66 GLU C C 66 178.380 179.367 -0.987 1
1 887 . 16 1 1 A 66 66 GLU CA C 66 60.256 59.750 0.506 1
1 888 . 16 1 1 A 66 66 GLU CB C 66 28.691 29.259 -0.568 1
1 890 . 16 1 1 A 66 66 GLU N N 66 119.924 118.945 0.979 1
1 891 . 16 1 1 A 67 67 ASN H H 67 8.267 8.222 0.045 1
1 892 . 16 1 1 A 67 67 ASN HA H 67 4.567 4.477 0.090 1
1 897 . 16 1 1 A 67 67 ASN C C 67 178.338 177.856 0.482 1
1 898 . 16 1 1 A 67 67 ASN CA C 67 56.900 57.070 -0.170 1
1 899 . 16 1 1 A 67 67 ASN CB C 67 38.802 39.310 -0.508 1
1 901 . 16 1 1 A 67 67 ASN N N 67 117.574 117.533 0.041 1
1 903 . 16 1 1 A 68 68 ILE H H 68 8.132 7.811 0.321 1
1 904 . 16 1 1 A 68 68 ILE HA H 68 3.726 3.603 0.123 1
1 914 . 16 1 1 A 68 68 ILE C C 68 178.722 177.975 0.747 1
1 915 . 16 1 1 A 68 68 ILE CA C 68 65.388 65.396 -0.008 1
1 916 . 16 1 1 A 68 68 ILE CB C 68 37.841 37.662 0.179 1
1 920 . 16 1 1 A 68 68 ILE N N 68 121.125 119.338 1.787 1
1 921 . 16 1 1 A 69 69 TYR H H 69 8.146 8.285 -0.139 1
1 922 . 16 1 1 A 69 69 TYR HA H 69 4.058 4.172 -0.114 1
1 929 . 16 1 1 A 69 69 TYR C C 69 177.061 177.173 -0.112 1
1 930 . 16 1 1 A 69 69 TYR CA C 69 62.828 61.581 1.247 1
1 931 . 16 1 1 A 69 69 TYR CB C 69 38.747 38.790 -0.043 1
1 936 . 16 1 1 A 69 69 TYR N N 69 121.378 121.306 0.072 1
1 937 . 16 1 1 A 70 70 LEU H H 70 8.630 8.516 0.114 1
1 938 . 16 1 1 A 70 70 LEU HA H 70 3.875 3.831 0.044 1
1 948 . 16 1 1 A 70 70 LEU C C 70 179.755 179.637 0.118 1
1 949 . 16 1 1 A 70 70 LEU CA C 70 58.230 58.316 -0.086 1
1 950 . 16 1 1 A 70 70 LEU CB C 70 41.733 41.400 0.333 1
1 954 . 16 1 1 A 70 70 LEU N N 70 120.179 119.686 0.493 1
1 955 . 16 1 1 A 71 71 LYS H H 71 7.950 8.176 -0.226 1
1 956 . 16 1 1 A 71 71 LYS HA H 71 3.957 3.905 0.052 1
1 965 . 16 1 1 A 71 71 LYS C C 71 178.961 178.277 0.684 1
1 966 . 16 1 1 A 71 71 LYS CA C 71 59.684 58.525 1.159 1
1 967 . 16 1 1 A 71 71 LYS CB C 71 32.421 31.775 0.646 1
1 971 . 16 1 1 A 71 71 LYS N N 71 118.820 120.313 -1.493 1
1 972 . 16 1 1 A 72 72 LEU H H 72 7.731 8.168 -0.437 1
1 973 . 16 1 1 A 72 72 LEU HA H 72 4.037 4.135 -0.098 1
1 983 . 16 1 1 A 72 72 LEU C C 72 178.533 178.533 0.000 1
1 984 . 16 1 1 A 72 72 LEU CA C 72 57.352 57.522 -0.170 1
1 985 . 16 1 1 A 72 72 LEU CB C 72 41.406 41.804 -0.398 1
1 989 . 16 1 1 A 72 72 LEU N N 72 121.367 120.858 0.509 1
1 990 . 16 1 1 A 73 73 GLN H H 73 7.884 7.915 -0.031 1
1 991 . 16 1 1 A 73 73 GLN HA H 73 3.852 3.814 0.038 1
1 998 . 16 1 1 A 73 73 GLN C C 73 177.679 178.044 -0.365 1
1 999 . 16 1 1 A 73 73 GLN CA C 73 57.026 59.016 -1.990 1
1 1000 . 16 1 1 A 73 73 GLN CB C 73 28.148 28.264 -0.116 1
1 1003 . 16 1 1 A 73 73 GLN N N 73 116.639 118.199 -1.560 1
1 1005 . 16 1 1 A 74 74 ARG H H 74 7.725 7.750 -0.025 1
1 1006 . 16 1 1 A 74 74 ARG HA H 74 4.136 4.135 0.001 1
1 1013 . 16 1 1 A 74 74 ARG C C 74 177.235 176.606 0.629 1
1 1014 . 16 1 1 A 74 74 ARG CA C 74 57.452 57.540 -0.088 1
1 1015 . 16 1 1 A 74 74 ARG CB C 74 30.308 29.999 0.309 1
1 1018 . 16 1 1 A 74 74 ARG N N 74 118.122 118.168 -0.046 1
1 1019 . 16 1 1 A 75 75 HIS H H 75 7.982 8.036 -0.054 1
1 1020 . 16 1 1 A 75 75 HIS HA H 75 4.564 4.549 0.015 1
1 1023 . 16 1 1 A 75 75 HIS C C 75 175.202 175.335 -0.133 1
1 1024 . 16 1 1 A 75 75 HIS CA C 75 56.587 56.829 -0.242 1
1 1025 . 16 1 1 A 75 75 HIS CB C 75 28.477 30.951 -2.474 1
1 1026 . 16 1 1 A 75 75 HIS N N 75 117.995 116.999 0.996 1
1 1027 . 16 1 1 A 76 76 LYS H H 76 8.180 7.308 0.872 1
1 1028 . 16 1 1 A 76 76 LYS HA H 76 4.148 4.653 -0.505 1
1 1037 . 16 1 1 A 76 76 LYS C C 76 177.303 175.102 2.201 1
1 1038 . 16 1 1 A 76 76 LYS CA C 76 57.550 54.759 2.791 1
1 1039 . 16 1 1 A 76 76 LYS CB C 76 32.789 34.197 -1.408 1
1 1043 . 16 1 1 A 76 76 LYS N N 76 121.510 121.668 -0.158 1
1 1044 . 16 1 1 A 77 77 GLU H H 77 8.321 8.472 -0.151 1
1 1045 . 16 1 1 A 77 77 GLU HA H 77 4.224 4.304 -0.080 1
1 1050 . 16 1 1 A 77 77 GLU C C 77 177.067 176.470 0.597 1
1 1051 . 16 1 1 A 77 77 GLU CA C 77 56.991 56.913 0.078 1
1 1052 . 16 1 1 A 77 77 GLU CB C 77 29.841 29.999 -0.158 1
1 1054 . 16 1 1 A 77 77 GLU N N 77 120.860 127.032 -6.172 1
1 1055 . 16 1 1 A 78 78 ARG H H 78 8.228 8.534 -0.306 1
1 1056 . 16 1 1 A 78 78 ARG HA H 78 4.240 4.435 -0.195 1
1 1063 . 16 1 1 A 78 78 ARG C C 78 176.577 176.481 0.096 1
1 1064 . 16 1 1 A 78 78 ARG CA C 78 56.786 56.022 0.764 1
1 1065 . 16 1 1 A 78 78 ARG CB C 78 30.413 30.810 -0.397 1
1 1068 . 16 1 1 A 78 78 ARG N N 78 121.081 122.939 -1.858 1
1 1069 . 16 1 1 A 79 79 ASN H H 79 8.333 8.840 -0.507 1
1 1070 . 16 1 1 A 79 79 ASN HA H 79 4.617 4.690 -0.073 1
1 1075 . 16 1 1 A 79 79 ASN C C 79 175.605 176.100 -0.495 1
1 1076 . 16 1 1 A 79 79 ASN CA C 79 53.938 53.311 0.627 1
1 1077 . 16 1 1 A 79 79 ASN CB C 79 38.748 38.978 -0.230 1
1 1079 . 16 1 1 A 79 79 ASN N N 79 118.880 120.779 -1.899 1
1 1081 . 16 1 1 A 80 80 GLN H H 80 8.285 8.750 -0.465 1
1 1082 . 16 1 1 A 80 80 GLN HA H 80 4.253 4.196 0.057 1
1 1089 . 16 1 1 A 80 80 GLN C C 80 176.304 175.709 0.595 1
1 1090 . 16 1 1 A 80 80 GLN CA C 80 56.545 57.483 -0.938 1
1 1091 . 16 1 1 A 80 80 GLN CB C 80 29.274 29.278 -0.004 1
1 1094 . 16 1 1 A 80 80 GLN N N 80 120.222 123.536 -3.314 1
1 1096 . 16 1 1 A 81 81 LEU H H 81 8.130 7.910 0.220 1
1 1097 . 16 1 1 A 81 81 LEU HA H 81 4.222 4.635 -0.413 1
1 1107 . 16 1 1 A 81 81 LEU C C 81 177.542 177.008 0.534 1
1 1108 . 16 1 1 A 81 81 LEU CA C 81 55.736 53.546 2.190 1
1 1109 . 16 1 1 A 81 81 LEU CB C 81 42.196 42.774 -0.578 1
1 1113 . 16 1 1 A 81 81 LEU N N 81 122.119 119.462 2.657 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.081 3.870 0.211 1
1 5 . 17 1 1 A 2 2 ALA C C 2 173.423 176.290 -2.867 1
1 6 . 17 1 1 A 2 2 ALA CA C 2 51.798 53.484 -1.686 1
1 7 . 17 1 1 A 2 2 ALA CB C 2 19.502 17.865 1.637 1
1 8 . 17 1 1 A 3 3 LEU H H 3 8.547 7.808 0.739 1
1 9 . 17 1 1 A 3 3 LEU HA H 3 4.394 4.435 -0.041 1
1 19 . 17 1 1 A 3 3 LEU C C 3 176.779 176.315 0.464 1
1 20 . 17 1 1 A 3 3 LEU CA C 3 55.226 54.353 0.873 1
1 21 . 17 1 1 A 3 3 LEU CB C 3 42.472 42.117 0.355 1
1 25 . 17 1 1 A 3 3 LEU N N 3 122.089 118.338 3.751 1
1 26 . 17 1 1 A 4 4 ILE H H 4 8.319 8.587 -0.268 1
1 27 . 17 1 1 A 4 4 ILE HA H 4 4.167 4.566 -0.399 1
1 37 . 17 1 1 A 4 4 ILE C C 4 176.138 173.549 2.589 1
1 38 . 17 1 1 A 4 4 ILE CA C 4 60.894 59.568 1.326 1
1 39 . 17 1 1 A 4 4 ILE CB C 4 38.595 41.421 -2.826 1
1 43 . 17 1 1 A 4 4 ILE N N 4 123.468 123.484 -0.016 1
1 44 . 17 1 1 A 5 5 MET H H 5 8.574 8.886 -0.312 1
1 45 . 17 1 1 A 5 5 MET HA H 5 4.584 4.607 -0.023 1
1 50 . 17 1 1 A 5 5 MET C C 5 176.274 174.625 1.649 1
1 51 . 17 1 1 A 5 5 MET CA C 5 55.348 54.948 0.400 1
1 52 . 17 1 1 A 5 5 MET CB C 5 32.961 31.983 0.978 1
1 54 . 17 1 1 A 5 5 MET N N 5 125.527 128.097 -2.570 1
1 55 . 17 1 1 A 6 6 THR H H 6 8.172 8.568 -0.396 1
1 56 . 17 1 1 A 6 6 THR HA H 6 4.331 4.756 -0.425 1
1 61 . 17 1 1 A 6 6 THR C C 6 174.578 174.006 0.572 1
1 62 . 17 1 1 A 6 6 THR CA C 6 61.849 62.040 -0.191 1
1 63 . 17 1 1 A 6 6 THR CB C 6 69.904 69.439 0.465 1
1 65 . 17 1 1 A 6 6 THR N N 6 115.487 119.998 -4.511 1
1 66 . 17 1 1 A 7 7 GLN H H 7 8.461 8.873 -0.412 1
1 67 . 17 1 1 A 7 7 GLN HA H 7 4.317 4.729 -0.412 1
1 74 . 17 1 1 A 7 7 GLN C C 7 176.108 175.162 0.946 1
1 75 . 17 1 1 A 7 7 GLN CA C 7 56.149 54.120 2.029 1
1 76 . 17 1 1 A 7 7 GLN CB C 7 29.491 31.104 -1.613 1
1 79 . 17 1 1 A 7 7 GLN N N 7 122.199 126.126 -3.927 1
1 81 . 17 1 1 A 8 8 GLN H H 8 8.418 8.861 -0.443 1
1 82 . 17 1 1 A 8 8 GLN HA H 8 4.219 4.386 -0.167 1
1 89 . 17 1 1 A 8 8 GLN C C 8 175.704 175.500 0.204 1
1 90 . 17 1 1 A 8 8 GLN CA C 8 56.112 54.928 1.184 1
1 91 . 17 1 1 A 8 8 GLN CB C 8 29.435 26.673 2.762 1
1 94 . 17 1 1 A 8 8 GLN N N 8 121.100 124.787 -3.687 1
1 96 . 17 1 1 A 9 9 ASN H H 9 8.404 8.564 -0.160 1
1 97 . 17 1 1 A 9 9 ASN HA H 9 4.654 4.340 0.314 1
1 102 . 17 1 1 A 9 9 ASN C C 9 174.445 175.500 -1.055 1
1 103 . 17 1 1 A 9 9 ASN CA C 9 53.190 55.682 -2.492 1
1 104 . 17 1 1 A 9 9 ASN CB C 9 38.913 38.498 0.415 1
1 106 . 17 1 1 A 9 9 ASN N N 9 119.104 123.306 -4.202 1
1 108 . 17 1 1 A 10 10 ASN H H 10 8.306 8.102 0.204 1
1 109 . 17 1 1 A 10 10 ASN HA H 10 4.964 4.429 0.535 1
1 114 . 17 1 1 A 10 10 ASN C C 10 174.315 176.255 -1.940 1
1 115 . 17 1 1 A 10 10 ASN CA C 10 51.318 53.937 -2.619 1
1 116 . 17 1 1 A 10 10 ASN CB C 10 38.992 36.816 2.176 1
1 118 . 17 1 1 A 10 10 ASN N N 10 119.847 117.024 2.823 1
1 120 . 17 1 1 A 11 11 PRO HA H 11 4.427 4.417 0.010 1
1 127 . 17 1 1 A 11 11 PRO C C 11 177.095 176.814 0.281 1
1 128 . 17 1 1 A 11 11 PRO CA C 11 64.214 64.596 -0.382 1
1 129 . 17 1 1 A 11 11 PRO CB C 11 32.355 31.791 0.564 1
1 132 . 17 1 1 A 12 12 LEU H H 12 8.102 8.134 -0.032 1
1 133 . 17 1 1 A 12 12 LEU HA H 12 4.320 4.454 -0.134 1
1 143 . 17 1 1 A 12 12 LEU C C 12 177.341 177.581 -0.240 1
1 144 . 17 1 1 A 12 12 LEU CA C 12 54.883 54.597 0.286 1
1 145 . 17 1 1 A 12 12 LEU CB C 12 41.300 41.516 -0.216 1
1 149 . 17 1 1 A 12 12 LEU N N 12 117.525 117.640 -0.115 1
1 150 . 17 1 1 A 13 13 HIS H H 13 8.004 7.551 0.453 1
1 151 . 17 1 1 A 13 13 HIS HA H 13 4.453 4.487 -0.034 1
1 154 . 17 1 1 A 13 13 HIS C C 13 175.375 176.537 -1.162 1
1 155 . 17 1 1 A 13 13 HIS CA C 13 56.796 58.119 -1.323 1
1 156 . 17 1 1 A 13 13 HIS CB C 13 28.248 30.376 -2.128 1
1 157 . 17 1 1 A 13 13 HIS N N 13 117.833 120.087 -2.254 1
1 158 . 17 1 1 A 14 14 GLY H H 14 8.530 8.215 0.315 1
1 159 . 17 1 1 A 14 14 GLY HA2 H 14 3.930 3.842 0.088 1
1 160 . 17 1 1 A 14 14 GLY HA3 H 14 3.755 3.866 -0.111 1
1 161 . 17 1 1 A 14 14 GLY C C 14 173.536 174.250 -0.714 1
1 162 . 17 1 1 A 14 14 GLY CA C 14 45.529 45.482 0.047 1
1 163 . 17 1 1 A 14 14 GLY N N 14 110.385 105.679 4.706 1
1 164 . 17 1 1 A 15 15 ILE H H 15 7.563 7.118 0.445 1
1 165 . 17 1 1 A 15 15 ILE HA H 15 4.392 3.894 0.498 1
1 175 . 17 1 1 A 15 15 ILE C C 15 174.878 176.316 -1.438 1
1 176 . 17 1 1 A 15 15 ILE CA C 15 60.102 61.635 -1.533 1
1 177 . 17 1 1 A 15 15 ILE CB C 15 39.383 37.725 1.658 1
1 181 . 17 1 1 A 15 15 ILE N N 15 120.363 121.017 -0.654 1
1 182 . 17 1 1 A 16 16 THR H H 16 7.643 8.251 -0.608 1
1 183 . 17 1 1 A 16 16 THR HA H 16 4.381 4.658 -0.277 1
1 188 . 17 1 1 A 16 16 THR C C 16 174.950 175.469 -0.519 1
1 189 . 17 1 1 A 16 16 THR CA C 16 60.355 60.259 0.096 1
1 190 . 17 1 1 A 16 16 THR CB C 16 70.834 71.224 -0.390 1
1 192 . 17 1 1 A 16 16 THR N N 16 115.980 118.631 -2.651 1
1 193 . 17 1 1 A 17 17 LEU H H 17 8.712 8.812 -0.100 1
1 194 . 17 1 1 A 17 17 LEU HA H 17 4.029 3.988 0.041 1
1 204 . 17 1 1 A 17 17 LEU C C 17 178.125 177.935 0.190 1
1 205 . 17 1 1 A 17 17 LEU CA C 17 57.582 58.383 -0.801 1
1 206 . 17 1 1 A 17 17 LEU CB C 17 40.906 41.110 -0.204 1
1 210 . 17 1 1 A 17 17 LEU N N 17 123.337 123.433 -0.096 1
1 211 . 17 1 1 A 18 18 GLN H H 18 8.611 8.284 0.327 1
1 212 . 17 1 1 A 18 18 GLN HA H 18 3.774 3.982 -0.208 1
1 219 . 17 1 1 A 18 18 GLN C C 18 178.211 178.578 -0.367 1
1 220 . 17 1 1 A 18 18 GLN CA C 18 60.388 59.357 1.031 1
1 221 . 17 1 1 A 18 18 GLN CB C 18 27.809 28.402 -0.593 1
1 224 . 17 1 1 A 18 18 GLN N N 18 116.423 118.675 -2.252 1
1 226 . 17 1 1 A 19 19 LYS H H 19 7.861 7.303 0.558 1
1 227 . 17 1 1 A 19 19 LYS HA H 19 3.957 4.179 -0.222 1
1 236 . 17 1 1 A 19 19 LYS C C 19 177.806 178.752 -0.946 1
1 237 . 17 1 1 A 19 19 LYS CA C 19 59.684 58.818 0.866 1
1 238 . 17 1 1 A 19 19 LYS CB C 19 32.300 31.941 0.359 1
1 242 . 17 1 1 A 19 19 LYS N N 19 123.583 120.161 3.422 1
1 243 . 17 1 1 A 20 20 LEU H H 20 8.223 8.231 -0.008 1
1 244 . 17 1 1 A 20 20 LEU HA H 20 3.418 3.901 -0.483 1
1 254 . 17 1 1 A 20 20 LEU C C 20 178.417 178.369 0.048 1
1 255 . 17 1 1 A 20 20 LEU CA C 20 59.301 58.145 1.156 1
1 256 . 17 1 1 A 20 20 LEU CB C 20 41.370 41.569 -0.199 1
1 260 . 17 1 1 A 20 20 LEU N N 20 121.397 121.091 0.306 1
1 261 . 17 1 1 A 21 21 LEU H H 21 8.649 8.431 0.218 1
1 262 . 17 1 1 A 21 21 LEU HA H 21 3.872 3.913 -0.041 1
1 272 . 17 1 1 A 21 21 LEU C C 21 178.009 178.554 -0.545 1
1 273 . 17 1 1 A 21 21 LEU CA C 21 58.027 57.965 0.062 1
1 274 . 17 1 1 A 21 21 LEU CB C 21 42.279 41.470 0.809 1
1 278 . 17 1 1 A 21 21 LEU N N 21 118.999 119.642 -0.643 1
1 279 . 17 1 1 A 22 22 THR H H 22 8.025 7.803 0.222 1
1 280 . 17 1 1 A 22 22 THR HA H 22 3.592 3.785 -0.193 1
1 285 . 17 1 1 A 22 22 THR C C 22 176.358 176.043 0.315 1
1 286 . 17 1 1 A 22 22 THR CA C 22 67.879 67.020 0.859 1
1 287 . 17 1 1 A 22 22 THR CB C 22 68.717 68.650 0.067 1
1 289 . 17 1 1 A 22 22 THR N N 22 115.015 115.104 -0.089 1
1 290 . 17 1 1 A 23 23 GLU H H 23 8.158 8.373 -0.215 1
1 291 . 17 1 1 A 23 23 GLU HA H 23 4.068 3.993 0.075 1
1 296 . 17 1 1 A 23 23 GLU C C 23 180.091 179.690 0.401 1
1 297 . 17 1 1 A 23 23 GLU CA C 23 59.845 59.315 0.530 1
1 298 . 17 1 1 A 23 23 GLU CB C 23 29.101 29.325 -0.224 1
1 300 . 17 1 1 A 23 23 GLU N N 23 120.691 119.642 1.049 1
1 301 . 17 1 1 A 24 24 LEU H H 24 8.121 7.867 0.254 1
1 302 . 17 1 1 A 24 24 LEU HA H 24 4.140 4.261 -0.121 1
1 312 . 17 1 1 A 24 24 LEU C C 24 179.047 178.893 0.154 1
1 313 . 17 1 1 A 24 24 LEU CA C 24 58.438 58.066 0.372 1
1 314 . 17 1 1 A 24 24 LEU CB C 24 42.715 41.967 0.748 1
1 318 . 17 1 1 A 24 24 LEU N N 24 119.210 120.708 -1.498 1
1 319 . 17 1 1 A 25 25 VAL H H 25 8.577 8.131 0.446 1
1 320 . 17 1 1 A 25 25 VAL HA H 25 2.698 3.105 -0.407 1
1 328 . 17 1 1 A 25 25 VAL C C 25 179.143 177.039 2.104 1
1 329 . 17 1 1 A 25 25 VAL CA C 25 67.077 66.568 0.509 1
1 330 . 17 1 1 A 25 25 VAL CB C 25 31.127 30.513 0.614 1
1 333 . 17 1 1 A 25 25 VAL N N 25 122.036 118.323 3.713 1
1 334 . 17 1 1 A 26 26 GLU H H 26 8.216 8.153 0.063 1
1 335 . 17 1 1 A 26 26 GLU HA H 26 3.858 3.952 -0.094 1
1 340 . 17 1 1 A 26 26 GLU C C 26 177.409 178.586 -1.177 1
1 341 . 17 1 1 A 26 26 GLU CA C 26 59.105 59.395 -0.290 1
1 342 . 17 1 1 A 26 26 GLU CB C 26 29.025 29.187 -0.162 1
1 344 . 17 1 1 A 26 26 GLU N N 26 119.262 118.967 0.295 1
1 345 . 17 1 1 A 27 27 HIS H H 27 7.815 7.882 -0.067 1
1 346 . 17 1 1 A 27 27 HIS HA H 27 4.183 4.124 0.059 1
1 349 . 17 1 1 A 27 27 HIS C C 27 175.618 175.763 -0.145 1
1 350 . 17 1 1 A 27 27 HIS CA C 27 58.932 58.329 0.603 1
1 351 . 17 1 1 A 27 27 HIS CB C 27 29.358 30.058 -0.700 1
1 352 . 17 1 1 A 27 27 HIS N N 27 114.100 121.097 -6.997 1
1 353 . 17 1 1 A 28 28 TYR H H 28 8.628 7.835 0.793 1
1 354 . 17 1 1 A 28 28 TYR HA H 28 4.424 4.415 0.009 1
1 361 . 17 1 1 A 28 28 TYR C C 28 177.445 175.843 1.602 1
1 362 . 17 1 1 A 28 28 TYR CA C 28 60.294 59.357 0.937 1
1 363 . 17 1 1 A 28 28 TYR CB C 28 40.851 40.095 0.756 1
1 368 . 17 1 1 A 28 28 TYR N N 28 113.706 114.972 -1.266 1
1 369 . 17 1 1 A 29 29 GLY H H 29 7.713 7.050 0.663 1
1 370 . 17 1 1 A 29 29 GLY HA2 H 29 4.366 4.018 0.348 1
1 371 . 17 1 1 A 29 29 GLY HA3 H 29 3.846 4.136 -0.290 1
1 372 . 17 1 1 A 29 29 GLY C C 29 172.549 174.948 -2.399 1
1 373 . 17 1 1 A 29 29 GLY CA C 29 44.258 44.673 -0.415 1
1 374 . 17 1 1 A 29 29 GLY N N 29 107.840 104.063 3.777 1
1 375 . 17 1 1 A 30 30 TRP H H 30 7.960 9.033 -1.073 1
1 376 . 17 1 1 A 30 30 TRP HA H 30 4.136 4.180 -0.044 1
1 385 . 17 1 1 A 30 30 TRP C C 30 178.090 178.867 -0.777 1
1 386 . 17 1 1 A 30 30 TRP CA C 30 60.502 59.642 0.860 1
1 387 . 17 1 1 A 30 30 TRP CB C 30 30.304 29.140 1.164 1
1 393 . 17 1 1 A 30 30 TRP N N 30 118.175 123.026 -4.851 1
1 395 . 17 1 1 A 31 31 GLU H H 31 8.549 8.626 -0.077 1
1 396 . 17 1 1 A 31 31 GLU HA H 31 3.992 4.059 -0.067 1
1 401 . 17 1 1 A 31 31 GLU C C 31 179.942 179.565 0.377 1
1 402 . 17 1 1 A 31 31 GLU CA C 31 60.090 60.364 -0.274 1
1 403 . 17 1 1 A 31 31 GLU CB C 31 28.474 29.199 -0.725 1
1 405 . 17 1 1 A 31 31 GLU N N 31 118.099 119.254 -1.155 1
1 406 . 17 1 1 A 32 32 GLU H H 32 8.962 8.105 0.857 1
1 407 . 17 1 1 A 32 32 GLU HA H 32 4.137 4.164 -0.027 1
1 412 . 17 1 1 A 32 32 GLU C C 32 179.651 179.506 0.145 1
1 413 . 17 1 1 A 32 32 GLU CA C 32 58.745 58.906 -0.161 1
1 414 . 17 1 1 A 32 32 GLU CB C 32 28.145 29.887 -1.742 1
1 416 . 17 1 1 A 32 32 GLU N N 32 120.094 121.373 -1.279 1
1 417 . 17 1 1 A 33 33 LEU H H 33 7.748 8.526 -0.778 1
1 418 . 17 1 1 A 33 33 LEU HA H 33 3.922 3.940 -0.018 1
1 428 . 17 1 1 A 33 33 LEU C C 33 178.833 179.607 -0.774 1
1 429 . 17 1 1 A 33 33 LEU CA C 33 58.577 57.531 1.046 1
1 430 . 17 1 1 A 33 33 LEU CB C 33 41.269 40.802 0.467 1
1 434 . 17 1 1 A 33 33 LEU N N 33 118.890 120.358 -1.468 1
1 435 . 17 1 1 A 34 34 SER H H 34 8.607 8.435 0.172 1
1 436 . 17 1 1 A 34 34 SER HA H 34 4.642 4.646 -0.004 1
1 439 . 17 1 1 A 34 34 SER C C 34 175.346 176.737 -1.391 1
1 440 . 17 1 1 A 34 34 SER CA C 34 61.247 60.733 0.514 1
1 441 . 17 1 1 A 34 34 SER CB C 34 63.043 63.441 -0.398 1
1 442 . 17 1 1 A 34 34 SER N N 34 114.464 115.233 -0.769 1
1 443 . 17 1 1 A 35 35 TYR H H 35 7.395 7.549 -0.154 1
1 444 . 17 1 1 A 35 35 TYR HA H 35 4.537 4.252 0.285 1
1 451 . 17 1 1 A 35 35 TYR C C 35 177.940 177.932 0.008 1
1 452 . 17 1 1 A 35 35 TYR CA C 35 58.907 60.483 -1.576 1
1 453 . 17 1 1 A 35 35 TYR CB C 35 37.852 38.716 -0.864 1
1 458 . 17 1 1 A 35 35 TYR N N 35 120.804 122.646 -1.842 1
1 459 . 17 1 1 A 36 36 MET H H 36 7.840 7.893 -0.053 1
1 460 . 17 1 1 A 36 36 MET HA H 36 4.158 4.385 -0.227 1
1 468 . 17 1 1 A 36 36 MET C C 36 177.049 175.786 1.263 1
1 469 . 17 1 1 A 36 36 MET CA C 36 58.684 58.060 0.624 1
1 470 . 17 1 1 A 36 36 MET CB C 36 34.927 33.638 1.289 1
1 473 . 17 1 1 A 36 36 MET N N 36 118.425 117.488 0.937 1
1 474 . 17 1 1 A 37 37 VAL H H 37 8.469 8.359 0.110 1
1 475 . 17 1 1 A 37 37 VAL HA H 37 4.265 4.486 -0.221 1
1 483 . 17 1 1 A 37 37 VAL C C 37 173.959 175.012 -1.053 1
1 484 . 17 1 1 A 37 37 VAL CA C 37 61.621 61.591 0.030 1
1 485 . 17 1 1 A 37 37 VAL CB C 37 32.527 33.530 -1.003 1
1 488 . 17 1 1 A 37 37 VAL N N 37 117.997 118.275 -0.278 1
1 489 . 17 1 1 A 38 38 ASN H H 38 8.677 9.194 -0.517 1
1 490 . 17 1 1 A 38 38 ASN HA H 38 4.948 4.831 0.117 1
1 495 . 17 1 1 A 38 38 ASN C C 38 174.710 173.964 0.746 1
1 496 . 17 1 1 A 38 38 ASN CA C 38 53.444 52.628 0.816 1
1 497 . 17 1 1 A 38 38 ASN CB C 38 37.001 37.057 -0.056 1
1 499 . 17 1 1 A 38 38 ASN N N 38 123.121 126.781 -3.660 1
1 501 . 17 1 1 A 39 39 ILE H H 39 7.744 8.254 -0.510 1
1 502 . 17 1 1 A 39 39 ILE HA H 39 4.655 4.810 -0.155 1
1 512 . 17 1 1 A 39 39 ILE C C 39 176.996 175.825 1.171 1
1 513 . 17 1 1 A 39 39 ILE CA C 39 59.201 58.409 0.792 1
1 514 . 17 1 1 A 39 39 ILE CB C 39 40.558 41.400 -0.842 1
1 518 . 17 1 1 A 39 39 ILE N N 39 115.722 120.117 -4.395 1
1 519 . 17 1 1 A 40 40 ASN H H 40 8.881 8.909 -0.028 1
1 520 . 17 1 1 A 40 40 ASN HA H 40 4.192 4.353 -0.161 1
1 525 . 17 1 1 A 40 40 ASN C C 40 177.705 176.905 0.800 1
1 526 . 17 1 1 A 40 40 ASN CA C 40 56.883 55.148 1.735 1
1 527 . 17 1 1 A 40 40 ASN CB C 40 38.313 38.267 0.046 1
1 529 . 17 1 1 A 40 40 ASN N N 40 124.600 122.126 2.474 1
1 531 . 17 1 1 A 41 41 CYS H H 41 8.034 7.823 0.211 1
1 532 . 17 1 1 A 41 41 CYS HA H 41 4.373 3.889 0.484 1
1 535 . 17 1 1 A 41 41 CYS C C 41 174.303 175.965 -1.662 1
1 536 . 17 1 1 A 41 41 CYS CA C 41 59.164 63.163 -3.999 1
1 537 . 17 1 1 A 41 41 CYS CB C 41 26.126 26.454 -0.328 1
1 538 . 17 1 1 A 41 41 CYS N N 41 115.097 117.079 -1.982 1
1 539 . 17 1 1 A 42 42 PHE H H 42 7.031 6.975 0.056 1
1 540 . 17 1 1 A 42 42 PHE HA H 42 4.937 4.440 0.497 1
1 548 . 17 1 1 A 42 42 PHE C C 42 174.437 178.027 -3.590 1
1 549 . 17 1 1 A 42 42 PHE CA C 42 54.439 59.999 -5.560 1
1 550 . 17 1 1 A 42 42 PHE CB C 42 38.059 40.226 -2.167 1
1 556 . 17 1 1 A 42 42 PHE N N 42 117.304 117.494 -0.190 1
1 557 . 17 1 1 A 43 43 LYS H H 43 7.371 7.750 -0.379 1
1 558 . 17 1 1 A 43 43 LYS HA H 43 4.304 4.185 0.119 1
1 567 . 17 1 1 A 43 43 LYS C C 43 175.800 175.912 -0.112 1
1 568 . 17 1 1 A 43 43 LYS CA C 43 57.474 58.834 -1.360 1
1 569 . 17 1 1 A 43 43 LYS CB C 43 34.978 33.773 1.205 1
1 573 . 17 1 1 A 43 43 LYS N N 43 116.029 121.230 -5.201 1
1 574 . 17 1 1 A 44 44 LYS H H 44 7.593 7.747 -0.154 1
1 575 . 17 1 1 A 44 44 LYS HA H 44 4.302 4.595 -0.293 1
1 584 . 17 1 1 A 44 44 LYS C C 44 173.608 174.752 -1.144 1
1 585 . 17 1 1 A 44 44 LYS CA C 44 55.169 55.825 -0.656 1
1 586 . 17 1 1 A 44 44 LYS CB C 44 33.123 35.618 -2.495 1
1 590 . 17 1 1 A 44 44 LYS N N 44 119.851 118.412 1.439 1
1 591 . 17 1 1 A 45 45 ASP H H 45 8.774 8.658 0.116 1
1 592 . 17 1 1 A 45 45 ASP HA H 45 4.200 4.059 0.141 1
1 595 . 17 1 1 A 45 45 ASP C C 45 172.128 174.394 -2.266 1
1 596 . 17 1 1 A 45 45 ASP CA C 45 53.963 54.732 -0.769 1
1 597 . 17 1 1 A 45 45 ASP CB C 45 40.263 39.323 0.940 1
1 598 . 17 1 1 A 45 45 ASP N N 45 122.276 122.402 -0.126 1
1 599 . 17 1 1 A 46 46 PRO HA H 46 3.930 4.597 -0.667 1
1 606 . 17 1 1 A 46 46 PRO C C 46 176.968 175.409 1.559 1
1 607 . 17 1 1 A 46 46 PRO CA C 46 62.964 61.743 1.221 1
1 608 . 17 1 1 A 46 46 PRO CB C 46 30.892 31.311 -0.419 1
1 611 . 17 1 1 A 47 47 SER H H 47 8.018 8.318 -0.300 1
1 612 . 17 1 1 A 47 47 SER HA H 47 4.676 4.749 -0.073 1
1 615 . 17 1 1 A 47 47 SER C C 47 175.465 174.157 1.308 1
1 616 . 17 1 1 A 47 47 SER CA C 47 57.014 57.681 -0.667 1
1 617 . 17 1 1 A 47 47 SER CB C 47 66.436 67.078 -0.642 1
1 618 . 17 1 1 A 47 47 SER N N 47 112.273 117.259 -4.986 1
1 619 . 17 1 1 A 48 48 ILE H H 48 9.489 9.133 0.356 1
1 620 . 17 1 1 A 48 48 ILE HA H 48 4.013 4.062 -0.049 1
1 630 . 17 1 1 A 48 48 ILE C C 48 177.681 178.074 -0.393 1
1 631 . 17 1 1 A 48 48 ILE CA C 48 64.456 65.548 -1.092 1
1 632 . 17 1 1 A 48 48 ILE CB C 48 36.382 38.244 -1.862 1
1 636 . 17 1 1 A 48 48 ILE N N 48 126.826 124.777 2.049 1
1 637 . 17 1 1 A 49 49 LYS H H 49 8.735 8.336 0.399 1
1 638 . 17 1 1 A 49 49 LYS HA H 49 3.984 3.951 0.033 1
1 647 . 17 1 1 A 49 49 LYS C C 49 179.784 178.565 1.219 1
1 648 . 17 1 1 A 49 49 LYS CA C 49 60.562 59.519 1.043 1
1 649 . 17 1 1 A 49 49 LYS CB C 49 32.533 32.263 0.270 1
1 653 . 17 1 1 A 49 49 LYS N N 49 118.592 121.757 -3.165 1
1 654 . 17 1 1 A 50 50 SER H H 50 8.065 7.841 0.224 1
1 655 . 17 1 1 A 50 50 SER HA H 50 4.270 4.141 0.129 1
1 658 . 17 1 1 A 50 50 SER C C 50 178.135 177.315 0.820 1
1 659 . 17 1 1 A 50 50 SER CA C 50 61.431 61.780 -0.349 1
1 660 . 17 1 1 A 50 50 SER CB C 50 62.672 63.047 -0.375 1
1 661 . 17 1 1 A 50 50 SER N N 50 114.354 114.915 -0.561 1
1 662 . 17 1 1 A 51 51 SER H H 51 8.300 8.277 0.023 1
1 663 . 17 1 1 A 51 51 SER HA H 51 4.681 4.219 0.462 1
1 666 . 17 1 1 A 51 51 SER C C 51 176.245 177.540 -1.295 1
1 667 . 17 1 1 A 51 51 SER CA C 51 63.327 61.611 1.716 1
1 668 . 17 1 1 A 51 51 SER CB C 51 64.340 63.206 1.134 1
1 669 . 17 1 1 A 51 51 SER N N 51 120.855 115.438 5.417 1
1 670 . 17 1 1 A 52 52 LEU H H 52 8.849 8.485 0.364 1
1 671 . 17 1 1 A 52 52 LEU HA H 52 3.902 4.002 -0.100 1
1 681 . 17 1 1 A 52 52 LEU C C 52 178.339 179.442 -1.103 1
1 682 . 17 1 1 A 52 52 LEU CA C 52 58.600 58.029 0.571 1
1 683 . 17 1 1 A 52 52 LEU CB C 52 41.685 41.422 0.263 1
1 687 . 17 1 1 A 52 52 LEU N N 52 122.627 122.161 0.466 1
1 688 . 17 1 1 A 53 53 LYS H H 53 7.268 7.646 -0.378 1
1 689 . 17 1 1 A 53 53 LYS HA H 53 3.957 4.054 -0.097 1
1 698 . 17 1 1 A 53 53 LYS C C 53 178.750 178.741 0.009 1
1 699 . 17 1 1 A 53 53 LYS CA C 53 59.867 58.728 1.139 1
1 700 . 17 1 1 A 53 53 LYS CB C 53 32.475 32.200 0.275 1
1 704 . 17 1 1 A 53 53 LYS N N 53 117.100 118.518 -1.418 1
1 705 . 17 1 1 A 54 54 PHE H H 54 7.388 8.362 -0.974 1
1 706 . 17 1 1 A 54 54 PHE HA H 54 4.167 4.143 0.024 1
1 714 . 17 1 1 A 54 54 PHE C C 54 178.975 177.235 1.740 1
1 715 . 17 1 1 A 54 54 PHE CA C 54 61.515 61.199 0.316 1
1 716 . 17 1 1 A 54 54 PHE CB C 54 39.619 39.140 0.479 1
1 722 . 17 1 1 A 54 54 PHE N N 54 117.704 122.257 -4.553 1
1 723 . 17 1 1 A 55 55 LEU H H 55 9.142 8.807 0.335 1
1 724 . 17 1 1 A 55 55 LEU HA H 55 3.720 3.767 -0.047 1
1 734 . 17 1 1 A 55 55 LEU C C 55 178.763 179.066 -0.303 1
1 735 . 17 1 1 A 55 55 LEU CA C 55 57.656 57.739 -0.083 1
1 736 . 17 1 1 A 55 55 LEU CB C 55 42.837 41.260 1.577 1
1 740 . 17 1 1 A 55 55 LEU N N 55 120.396 119.011 1.385 1
1 741 . 17 1 1 A 56 56 ARG H H 56 8.338 8.492 -0.154 1
1 742 . 17 1 1 A 56 56 ARG HA H 56 3.855 4.015 -0.160 1
1 750 . 17 1 1 A 56 56 ARG C C 56 176.697 177.020 -0.323 1
1 751 . 17 1 1 A 56 56 ARG CA C 56 59.452 59.009 0.443 1
1 752 . 17 1 1 A 56 56 ARG CB C 56 30.239 30.023 0.216 1
1 755 . 17 1 1 A 56 56 ARG N N 56 116.866 117.857 -0.991 1
1 757 . 17 1 1 A 57 57 LYS H H 57 6.770 7.937 -1.167 1
1 758 . 17 1 1 A 57 57 LYS HA H 57 4.542 4.349 0.193 1
1 767 . 17 1 1 A 57 57 LYS C C 57 176.148 175.664 0.484 1
1 768 . 17 1 1 A 57 57 LYS CA C 57 55.545 57.117 -1.572 1
1 769 . 17 1 1 A 57 57 LYS CB C 57 33.805 32.467 1.338 1
1 773 . 17 1 1 A 57 57 LYS N N 57 113.205 115.534 -2.329 1
1 774 . 17 1 1 A 58 58 THR H H 58 6.908 7.090 -0.182 1
1 775 . 17 1 1 A 58 58 THR HA H 58 4.212 4.247 -0.035 1
1 780 . 17 1 1 A 58 58 THR C C 58 173.643 174.053 -0.410 1
1 781 . 17 1 1 A 58 58 THR CA C 58 60.688 61.102 -0.414 1
1 782 . 17 1 1 A 58 58 THR CB C 58 67.557 67.410 0.147 1
1 784 . 17 1 1 A 58 58 THR N N 58 117.915 114.949 2.966 1
1 785 . 17 1 1 A 59 59 ASP H H 59 8.789 8.584 0.205 1
1 786 . 17 1 1 A 59 59 ASP HA H 59 4.128 4.171 -0.043 1
1 789 . 17 1 1 A 59 59 ASP C C 59 178.565 178.702 -0.137 1
1 790 . 17 1 1 A 59 59 ASP CA C 59 58.506 58.012 0.494 1
1 791 . 17 1 1 A 59 59 ASP CB C 59 39.530 40.288 -0.758 1
1 792 . 17 1 1 A 59 59 ASP N N 59 128.511 127.076 1.435 1
1 793 . 17 1 1 A 60 60 TRP H H 60 8.638 8.624 0.014 1
1 794 . 17 1 1 A 60 60 TRP HA H 60 4.375 4.429 -0.054 1
1 803 . 17 1 1 A 60 60 TRP C C 60 178.277 178.853 -0.576 1
1 804 . 17 1 1 A 60 60 TRP CA C 60 59.183 60.496 -1.313 1
1 805 . 17 1 1 A 60 60 TRP CB C 60 26.962 27.832 -0.870 1
1 811 . 17 1 1 A 60 60 TRP N N 60 117.515 119.025 -1.510 1
1 813 . 17 1 1 A 61 61 ALA H H 61 5.533 7.403 -1.870 1
1 814 . 17 1 1 A 61 61 ALA HA H 61 3.414 3.654 -0.240 1
1 818 . 17 1 1 A 61 61 ALA C C 61 177.616 179.074 -1.458 1
1 819 . 17 1 1 A 61 61 ALA CA C 61 54.478 55.017 -0.539 1
1 820 . 17 1 1 A 61 61 ALA CB C 61 17.904 17.526 0.378 1
1 821 . 17 1 1 A 61 61 ALA N N 61 125.465 123.813 1.652 1
1 822 . 17 1 1 A 62 62 ARG H H 62 7.811 8.015 -0.204 1
1 823 . 17 1 1 A 62 62 ARG HA H 62 3.617 3.944 -0.327 1
1 831 . 17 1 1 A 62 62 ARG C C 62 177.918 179.102 -1.184 1
1 832 . 17 1 1 A 62 62 ARG CA C 62 60.708 59.615 1.093 1
1 833 . 17 1 1 A 62 62 ARG CB C 62 29.156 29.895 -0.739 1
1 836 . 17 1 1 A 62 62 ARG N N 62 120.420 118.257 2.163 1
1 838 . 17 1 1 A 63 63 GLU H H 63 8.412 8.637 -0.225 1
1 839 . 17 1 1 A 63 63 GLU HA H 63 4.041 4.131 -0.090 1
1 844 . 17 1 1 A 63 63 GLU C C 63 178.935 178.980 -0.045 1
1 845 . 17 1 1 A 63 63 GLU CA C 63 59.509 58.967 0.542 1
1 846 . 17 1 1 A 63 63 GLU CB C 63 28.759 29.323 -0.564 1
1 848 . 17 1 1 A 63 63 GLU N N 63 117.144 117.598 -0.454 1
1 849 . 17 1 1 A 64 64 ARG H H 64 7.603 7.862 -0.259 1
1 850 . 17 1 1 A 64 64 ARG HA H 64 4.256 4.075 0.181 1
1 858 . 17 1 1 A 64 64 ARG C C 64 179.133 178.269 0.864 1
1 859 . 17 1 1 A 64 64 ARG CA C 64 59.340 59.683 -0.343 1
1 860 . 17 1 1 A 64 64 ARG CB C 64 30.067 31.673 -1.606 1
1 863 . 17 1 1 A 64 64 ARG N N 64 118.298 119.834 -1.536 1
1 865 . 17 1 1 A 65 65 VAL H H 65 8.065 8.650 -0.585 1
1 866 . 17 1 1 A 65 65 VAL HA H 65 3.713 3.586 0.127 1
1 874 . 17 1 1 A 65 65 VAL C C 65 177.638 177.838 -0.200 1
1 875 . 17 1 1 A 65 65 VAL CA C 65 66.891 66.485 0.406 1
1 876 . 17 1 1 A 65 65 VAL CB C 65 31.480 31.284 0.196 1
1 879 . 17 1 1 A 65 65 VAL N N 65 117.270 119.514 -2.244 1
1 880 . 17 1 1 A 66 66 GLU H H 66 8.583 8.269 0.314 1
1 881 . 17 1 1 A 66 66 GLU HA H 66 3.912 3.987 -0.075 1
1 886 . 17 1 1 A 66 66 GLU C C 66 178.380 180.026 -1.646 1
1 887 . 17 1 1 A 66 66 GLU CA C 66 60.256 59.649 0.607 1
1 888 . 17 1 1 A 66 66 GLU CB C 66 28.691 29.333 -0.642 1
1 890 . 17 1 1 A 66 66 GLU N N 66 119.924 119.146 0.778 1
1 891 . 17 1 1 A 67 67 ASN H H 67 8.267 8.284 -0.017 1
1 892 . 17 1 1 A 67 67 ASN HA H 67 4.567 4.565 0.002 1
1 897 . 17 1 1 A 67 67 ASN C C 67 178.338 178.053 0.285 1
1 898 . 17 1 1 A 67 67 ASN CA C 67 56.900 56.441 0.459 1
1 899 . 17 1 1 A 67 67 ASN CB C 67 38.802 39.357 -0.555 1
1 901 . 17 1 1 A 67 67 ASN N N 67 117.574 117.677 -0.103 1
1 903 . 17 1 1 A 68 68 ILE H H 68 8.132 7.665 0.467 1
1 904 . 17 1 1 A 68 68 ILE HA H 68 3.726 3.602 0.124 1
1 914 . 17 1 1 A 68 68 ILE C C 68 178.722 178.081 0.641 1
1 915 . 17 1 1 A 68 68 ILE CA C 68 65.388 65.520 -0.132 1
1 916 . 17 1 1 A 68 68 ILE CB C 68 37.841 37.660 0.181 1
1 920 . 17 1 1 A 68 68 ILE N N 68 121.125 119.946 1.179 1
1 921 . 17 1 1 A 69 69 TYR H H 69 8.146 8.275 -0.129 1
1 922 . 17 1 1 A 69 69 TYR HA H 69 4.058 4.142 -0.084 1
1 929 . 17 1 1 A 69 69 TYR C C 69 177.061 177.264 -0.203 1
1 930 . 17 1 1 A 69 69 TYR CA C 69 62.828 61.624 1.204 1
1 931 . 17 1 1 A 69 69 TYR CB C 69 38.747 38.572 0.175 1
1 936 . 17 1 1 A 69 69 TYR N N 69 121.378 121.227 0.151 1
1 937 . 17 1 1 A 70 70 LEU H H 70 8.630 8.457 0.173 1
1 938 . 17 1 1 A 70 70 LEU HA H 70 3.875 3.843 0.032 1
1 948 . 17 1 1 A 70 70 LEU C C 70 179.755 179.504 0.251 1
1 949 . 17 1 1 A 70 70 LEU CA C 70 58.230 58.061 0.169 1
1 950 . 17 1 1 A 70 70 LEU CB C 70 41.733 41.498 0.235 1
1 954 . 17 1 1 A 70 70 LEU N N 70 120.179 120.020 0.159 1
1 955 . 17 1 1 A 71 71 LYS H H 71 7.950 8.230 -0.280 1
1 956 . 17 1 1 A 71 71 LYS HA H 71 3.957 3.968 -0.011 1
1 965 . 17 1 1 A 71 71 LYS C C 71 178.961 178.785 0.176 1
1 966 . 17 1 1 A 71 71 LYS CA C 71 59.684 59.537 0.147 1
1 967 . 17 1 1 A 71 71 LYS CB C 71 32.421 32.070 0.351 1
1 971 . 17 1 1 A 71 71 LYS N N 71 118.820 119.896 -1.076 1
1 972 . 17 1 1 A 72 72 LEU H H 72 7.731 8.121 -0.390 1
1 973 . 17 1 1 A 72 72 LEU HA H 72 4.037 4.116 -0.079 1
1 983 . 17 1 1 A 72 72 LEU C C 72 178.533 178.800 -0.267 1
1 984 . 17 1 1 A 72 72 LEU CA C 72 57.352 58.029 -0.677 1
1 985 . 17 1 1 A 72 72 LEU CB C 72 41.406 41.810 -0.404 1
1 989 . 17 1 1 A 72 72 LEU N N 72 121.367 121.165 0.202 1
1 990 . 17 1 1 A 73 73 GLN H H 73 7.884 8.347 -0.463 1
1 991 . 17 1 1 A 73 73 GLN HA H 73 3.852 3.799 0.053 1
1 998 . 17 1 1 A 73 73 GLN C C 73 177.679 178.779 -1.100 1
1 999 . 17 1 1 A 73 73 GLN CA C 73 57.026 59.165 -2.139 1
1 1000 . 17 1 1 A 73 73 GLN CB C 73 28.148 28.320 -0.172 1
1 1003 . 17 1 1 A 73 73 GLN N N 73 116.639 117.959 -1.320 1
1 1005 . 17 1 1 A 74 74 ARG H H 74 7.725 8.185 -0.460 1
1 1006 . 17 1 1 A 74 74 ARG HA H 74 4.136 4.163 -0.027 1
1 1013 . 17 1 1 A 74 74 ARG C C 74 177.235 177.902 -0.667 1
1 1014 . 17 1 1 A 74 74 ARG CA C 74 57.452 58.146 -0.694 1
1 1015 . 17 1 1 A 74 74 ARG CB C 74 30.308 29.197 1.111 1
1 1018 . 17 1 1 A 74 74 ARG N N 74 118.122 118.481 -0.359 1
1 1019 . 17 1 1 A 75 75 HIS H H 75 7.982 7.764 0.218 1
1 1020 . 17 1 1 A 75 75 HIS HA H 75 4.564 4.431 0.133 1
1 1023 . 17 1 1 A 75 75 HIS C C 75 175.202 175.495 -0.293 1
1 1024 . 17 1 1 A 75 75 HIS CA C 75 56.587 58.344 -1.757 1
1 1025 . 17 1 1 A 75 75 HIS CB C 75 28.477 30.530 -2.053 1
1 1026 . 17 1 1 A 75 75 HIS N N 75 117.995 119.145 -1.150 1
1 1027 . 17 1 1 A 76 76 LYS H H 76 8.180 7.926 0.254 1
1 1028 . 17 1 1 A 76 76 LYS HA H 76 4.148 4.232 -0.084 1
1 1037 . 17 1 1 A 76 76 LYS C C 76 177.303 175.515 1.788 1
1 1038 . 17 1 1 A 76 76 LYS CA C 76 57.550 55.519 2.031 1
1 1039 . 17 1 1 A 76 76 LYS CB C 76 32.789 31.998 0.791 1
1 1043 . 17 1 1 A 76 76 LYS N N 76 121.510 118.813 2.697 1
1 1044 . 17 1 1 A 77 77 GLU H H 77 8.321 8.461 -0.140 1
1 1045 . 17 1 1 A 77 77 GLU HA H 77 4.224 4.308 -0.084 1
1 1050 . 17 1 1 A 77 77 GLU C C 77 177.067 176.033 1.034 1
1 1051 . 17 1 1 A 77 77 GLU CA C 77 56.991 55.979 1.012 1
1 1052 . 17 1 1 A 77 77 GLU CB C 77 29.841 30.683 -0.842 1
1 1054 . 17 1 1 A 77 77 GLU N N 77 120.860 125.154 -4.294 1
1 1055 . 17 1 1 A 78 78 ARG H H 78 8.228 8.861 -0.633 1
1 1056 . 17 1 1 A 78 78 ARG HA H 78 4.240 4.975 -0.735 1
1 1063 . 17 1 1 A 78 78 ARG C C 78 176.577 174.580 1.997 1
1 1064 . 17 1 1 A 78 78 ARG CA C 78 56.786 54.633 2.153 1
1 1065 . 17 1 1 A 78 78 ARG CB C 78 30.413 33.865 -3.452 1
1 1068 . 17 1 1 A 78 78 ARG N N 78 121.081 118.740 2.341 1
1 1069 . 17 1 1 A 79 79 ASN H H 79 8.333 8.476 -0.143 1
1 1070 . 17 1 1 A 79 79 ASN HA H 79 4.617 5.013 -0.396 1
1 1075 . 17 1 1 A 79 79 ASN C C 79 175.605 174.778 0.827 1
1 1076 . 17 1 1 A 79 79 ASN CA C 79 53.938 52.263 1.675 1
1 1077 . 17 1 1 A 79 79 ASN CB C 79 38.748 39.583 -0.835 1
1 1079 . 17 1 1 A 79 79 ASN N N 79 118.880 118.439 0.441 1
1 1081 . 17 1 1 A 80 80 GLN H H 80 8.285 8.509 -0.224 1
1 1082 . 17 1 1 A 80 80 GLN HA H 80 4.253 4.650 -0.397 1
1 1089 . 17 1 1 A 80 80 GLN C C 80 176.304 175.473 0.831 1
1 1090 . 17 1 1 A 80 80 GLN CA C 80 56.545 54.867 1.678 1
1 1091 . 17 1 1 A 80 80 GLN CB C 80 29.274 30.150 -0.876 1
1 1094 . 17 1 1 A 80 80 GLN N N 80 120.222 122.570 -2.348 1
1 1096 . 17 1 1 A 81 81 LEU H H 81 8.130 8.692 -0.562 1
1 1097 . 17 1 1 A 81 81 LEU HA H 81 4.222 4.505 -0.283 1
1 1107 . 17 1 1 A 81 81 LEU C C 81 177.542 176.580 0.962 1
1 1108 . 17 1 1 A 81 81 LEU CA C 81 55.736 54.516 1.220 1
1 1109 . 17 1 1 A 81 81 LEU CB C 81 42.196 41.245 0.951 1
1 1113 . 17 1 1 A 81 81 LEU N N 81 122.119 126.164 -4.045 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.081 4.594 -0.513 1
1 5 . 18 1 1 A 2 2 ALA C C 2 173.423 177.524 -4.101 1
1 6 . 18 1 1 A 2 2 ALA CA C 2 51.798 51.793 0.005 1
1 7 . 18 1 1 A 2 2 ALA CB C 2 19.502 19.667 -0.165 1
1 8 . 18 1 1 A 3 3 LEU H H 3 8.547 8.473 0.074 1
1 9 . 18 1 1 A 3 3 LEU HA H 3 4.394 4.617 -0.223 1
1 19 . 18 1 1 A 3 3 LEU C C 3 176.779 176.295 0.484 1
1 20 . 18 1 1 A 3 3 LEU CA C 3 55.226 54.277 0.949 1
1 21 . 18 1 1 A 3 3 LEU CB C 3 42.472 41.507 0.965 1
1 25 . 18 1 1 A 3 3 LEU N N 3 122.089 122.186 -0.097 1
1 26 . 18 1 1 A 4 4 ILE H H 4 8.319 8.627 -0.308 1
1 27 . 18 1 1 A 4 4 ILE HA H 4 4.167 4.347 -0.180 1
1 37 . 18 1 1 A 4 4 ILE C C 4 176.138 175.259 0.879 1
1 38 . 18 1 1 A 4 4 ILE CA C 4 60.894 61.411 -0.517 1
1 39 . 18 1 1 A 4 4 ILE CB C 4 38.595 36.454 2.141 1
1 43 . 18 1 1 A 4 4 ILE N N 4 123.468 125.709 -2.241 1
1 44 . 18 1 1 A 5 5 MET H H 5 8.574 8.767 -0.193 1
1 45 . 18 1 1 A 5 5 MET HA H 5 4.584 4.949 -0.365 1
1 50 . 18 1 1 A 5 5 MET C C 5 176.274 174.941 1.333 1
1 51 . 18 1 1 A 5 5 MET CA C 5 55.348 54.256 1.092 1
1 52 . 18 1 1 A 5 5 MET CB C 5 32.961 31.030 1.931 1
1 54 . 18 1 1 A 5 5 MET N N 5 125.527 128.467 -2.940 1
1 55 . 18 1 1 A 6 6 THR H H 6 8.172 8.624 -0.452 1
1 56 . 18 1 1 A 6 6 THR HA H 6 4.331 5.237 -0.906 1
1 61 . 18 1 1 A 6 6 THR C C 6 174.578 173.138 1.440 1
1 62 . 18 1 1 A 6 6 THR CA C 6 61.849 59.208 2.641 1
1 63 . 18 1 1 A 6 6 THR CB C 6 69.904 71.865 -1.961 1
1 65 . 18 1 1 A 6 6 THR N N 6 115.487 113.086 2.401 1
1 66 . 18 1 1 A 7 7 GLN H H 7 8.461 8.385 0.076 1
1 67 . 18 1 1 A 7 7 GLN HA H 7 4.317 4.355 -0.038 1
1 74 . 18 1 1 A 7 7 GLN C C 7 176.108 175.943 0.165 1
1 75 . 18 1 1 A 7 7 GLN CA C 7 56.149 56.142 0.007 1
1 76 . 18 1 1 A 7 7 GLN CB C 7 29.491 29.384 0.107 1
1 79 . 18 1 1 A 7 7 GLN N N 7 122.199 122.894 -0.695 1
1 81 . 18 1 1 A 8 8 GLN H H 8 8.418 8.454 -0.036 1
1 82 . 18 1 1 A 8 8 GLN HA H 8 4.219 4.329 -0.110 1
1 89 . 18 1 1 A 8 8 GLN C C 8 175.704 174.929 0.775 1
1 90 . 18 1 1 A 8 8 GLN CA C 8 56.112 56.525 -0.413 1
1 91 . 18 1 1 A 8 8 GLN CB C 8 29.435 29.104 0.331 1
1 94 . 18 1 1 A 8 8 GLN N N 8 121.100 126.160 -5.060 1
1 96 . 18 1 1 A 9 9 ASN H H 9 8.404 8.795 -0.391 1
1 97 . 18 1 1 A 9 9 ASN HA H 9 4.654 5.190 -0.536 1
1 102 . 18 1 1 A 9 9 ASN C C 9 174.445 172.826 1.619 1
1 103 . 18 1 1 A 9 9 ASN CA C 9 53.190 52.500 0.690 1
1 104 . 18 1 1 A 9 9 ASN CB C 9 38.913 41.088 -2.175 1
1 106 . 18 1 1 A 9 9 ASN N N 9 119.104 122.822 -3.718 1
1 108 . 18 1 1 A 10 10 ASN H H 10 8.306 8.801 -0.495 1
1 109 . 18 1 1 A 10 10 ASN HA H 10 4.964 5.323 -0.359 1
1 114 . 18 1 1 A 10 10 ASN C C 10 174.315 174.521 -0.206 1
1 115 . 18 1 1 A 10 10 ASN CA C 10 51.318 49.594 1.724 1
1 116 . 18 1 1 A 10 10 ASN CB C 10 38.992 39.371 -0.379 1
1 118 . 18 1 1 A 10 10 ASN N N 10 119.847 118.127 1.720 1
1 120 . 18 1 1 A 11 11 PRO HA H 11 4.427 4.510 -0.083 1
1 127 . 18 1 1 A 11 11 PRO C C 11 177.095 175.491 1.604 1
1 128 . 18 1 1 A 11 11 PRO CA C 11 64.214 64.043 0.171 1
1 129 . 18 1 1 A 11 11 PRO CB C 11 32.355 32.030 0.325 1
1 132 . 18 1 1 A 12 12 LEU H H 12 8.102 7.320 0.782 1
1 133 . 18 1 1 A 12 12 LEU HA H 12 4.320 4.715 -0.395 1
1 143 . 18 1 1 A 12 12 LEU C C 12 177.341 175.228 2.113 1
1 144 . 18 1 1 A 12 12 LEU CA C 12 54.883 53.208 1.675 1
1 145 . 18 1 1 A 12 12 LEU CB C 12 41.300 45.018 -3.718 1
1 149 . 18 1 1 A 12 12 LEU N N 12 117.525 113.350 4.175 1
1 150 . 18 1 1 A 13 13 HIS H H 13 8.004 8.983 -0.979 1
1 151 . 18 1 1 A 13 13 HIS HA H 13 4.453 4.690 -0.237 1
1 154 . 18 1 1 A 13 13 HIS C C 13 175.375 174.649 0.726 1
1 155 . 18 1 1 A 13 13 HIS CA C 13 56.796 55.872 0.924 1
1 156 . 18 1 1 A 13 13 HIS CB C 13 28.248 29.603 -1.355 1
1 157 . 18 1 1 A 13 13 HIS N N 13 117.833 123.423 -5.590 1
1 158 . 18 1 1 A 14 14 GLY H H 14 8.530 8.333 0.197 1
1 159 . 18 1 1 A 14 14 GLY HA2 H 14 3.930 4.126 -0.196 1
1 160 . 18 1 1 A 14 14 GLY HA3 H 14 3.755 4.171 -0.416 1
1 161 . 18 1 1 A 14 14 GLY C C 14 173.536 171.774 1.762 1
1 162 . 18 1 1 A 14 14 GLY CA C 14 45.529 44.854 0.675 1
1 163 . 18 1 1 A 14 14 GLY N N 14 110.385 112.551 -2.166 1
1 164 . 18 1 1 A 15 15 ILE H H 15 7.563 8.769 -1.206 1
1 165 . 18 1 1 A 15 15 ILE HA H 15 4.392 4.110 0.282 1
1 175 . 18 1 1 A 15 15 ILE C C 15 174.878 175.706 -0.828 1
1 176 . 18 1 1 A 15 15 ILE CA C 15 60.102 60.817 -0.715 1
1 177 . 18 1 1 A 15 15 ILE CB C 15 39.383 37.103 2.280 1
1 181 . 18 1 1 A 15 15 ILE N N 15 120.363 125.941 -5.578 1
1 182 . 18 1 1 A 16 16 THR H H 16 7.643 8.137 -0.494 1
1 183 . 18 1 1 A 16 16 THR HA H 16 4.381 4.470 -0.089 1
1 188 . 18 1 1 A 16 16 THR C C 16 174.950 175.527 -0.577 1
1 189 . 18 1 1 A 16 16 THR CA C 16 60.355 60.855 -0.500 1
1 190 . 18 1 1 A 16 16 THR CB C 16 70.834 71.106 -0.272 1
1 192 . 18 1 1 A 16 16 THR N N 16 115.980 121.317 -5.337 1
1 193 . 18 1 1 A 17 17 LEU H H 17 8.712 8.772 -0.060 1
1 194 . 18 1 1 A 17 17 LEU HA H 17 4.029 4.020 0.009 1
1 204 . 18 1 1 A 17 17 LEU C C 17 178.125 177.893 0.232 1
1 205 . 18 1 1 A 17 17 LEU CA C 17 57.582 58.408 -0.826 1
1 206 . 18 1 1 A 17 17 LEU CB C 17 40.906 41.204 -0.298 1
1 210 . 18 1 1 A 17 17 LEU N N 17 123.337 123.460 -0.123 1
1 211 . 18 1 1 A 18 18 GLN H H 18 8.611 8.329 0.282 1
1 212 . 18 1 1 A 18 18 GLN HA H 18 3.774 3.973 -0.199 1
1 219 . 18 1 1 A 18 18 GLN C C 18 178.211 178.087 0.124 1
1 220 . 18 1 1 A 18 18 GLN CA C 18 60.388 59.310 1.078 1
1 221 . 18 1 1 A 18 18 GLN CB C 18 27.809 28.319 -0.510 1
1 224 . 18 1 1 A 18 18 GLN N N 18 116.423 118.724 -2.301 1
1 226 . 18 1 1 A 19 19 LYS H H 19 7.861 7.515 0.346 1
1 227 . 18 1 1 A 19 19 LYS HA H 19 3.957 4.013 -0.056 1
1 236 . 18 1 1 A 19 19 LYS C C 19 177.806 178.555 -0.749 1
1 237 . 18 1 1 A 19 19 LYS CA C 19 59.684 59.413 0.271 1
1 238 . 18 1 1 A 19 19 LYS CB C 19 32.300 32.063 0.237 1
1 242 . 18 1 1 A 19 19 LYS N N 19 123.583 120.013 3.570 1
1 243 . 18 1 1 A 20 20 LEU H H 20 8.223 8.259 -0.036 1
1 244 . 18 1 1 A 20 20 LEU HA H 20 3.418 3.489 -0.071 1
1 254 . 18 1 1 A 20 20 LEU C C 20 178.417 178.316 0.101 1
1 255 . 18 1 1 A 20 20 LEU CA C 20 59.301 57.965 1.336 1
1 256 . 18 1 1 A 20 20 LEU CB C 20 41.370 41.355 0.015 1
1 260 . 18 1 1 A 20 20 LEU N N 20 121.397 120.604 0.793 1
1 261 . 18 1 1 A 21 21 LEU H H 21 8.649 8.185 0.464 1
1 262 . 18 1 1 A 21 21 LEU HA H 21 3.872 3.843 0.029 1
1 272 . 18 1 1 A 21 21 LEU C C 21 178.009 178.517 -0.508 1
1 273 . 18 1 1 A 21 21 LEU CA C 21 58.027 57.974 0.053 1
1 274 . 18 1 1 A 21 21 LEU CB C 21 42.279 41.468 0.811 1
1 278 . 18 1 1 A 21 21 LEU N N 21 118.999 119.631 -0.632 1
1 279 . 18 1 1 A 22 22 THR H H 22 8.025 8.147 -0.122 1
1 280 . 18 1 1 A 22 22 THR HA H 22 3.592 3.765 -0.173 1
1 285 . 18 1 1 A 22 22 THR C C 22 176.358 176.272 0.086 1
1 286 . 18 1 1 A 22 22 THR CA C 22 67.879 66.734 1.145 1
1 287 . 18 1 1 A 22 22 THR CB C 22 68.717 68.544 0.173 1
1 289 . 18 1 1 A 22 22 THR N N 22 115.015 114.746 0.269 1
1 290 . 18 1 1 A 23 23 GLU H H 23 8.158 8.459 -0.301 1
1 291 . 18 1 1 A 23 23 GLU HA H 23 4.068 3.965 0.103 1
1 296 . 18 1 1 A 23 23 GLU C C 23 180.091 179.929 0.162 1
1 297 . 18 1 1 A 23 23 GLU CA C 23 59.845 59.651 0.194 1
1 298 . 18 1 1 A 23 23 GLU CB C 23 29.101 29.213 -0.112 1
1 300 . 18 1 1 A 23 23 GLU N N 23 120.691 119.325 1.366 1
1 301 . 18 1 1 A 24 24 LEU H H 24 8.121 7.696 0.425 1
1 302 . 18 1 1 A 24 24 LEU HA H 24 4.140 4.301 -0.161 1
1 312 . 18 1 1 A 24 24 LEU C C 24 179.047 179.316 -0.269 1
1 313 . 18 1 1 A 24 24 LEU CA C 24 58.438 57.900 0.538 1
1 314 . 18 1 1 A 24 24 LEU CB C 24 42.715 41.499 1.216 1
1 318 . 18 1 1 A 24 24 LEU N N 24 119.210 120.490 -1.280 1
1 319 . 18 1 1 A 25 25 VAL H H 25 8.577 8.065 0.512 1
1 320 . 18 1 1 A 25 25 VAL HA H 25 2.698 3.274 -0.576 1
1 328 . 18 1 1 A 25 25 VAL C C 25 179.143 178.086 1.057 1
1 329 . 18 1 1 A 25 25 VAL CA C 25 67.077 66.895 0.182 1
1 330 . 18 1 1 A 25 25 VAL CB C 25 31.127 31.017 0.110 1
1 333 . 18 1 1 A 25 25 VAL N N 25 122.036 120.412 1.624 1
1 334 . 18 1 1 A 26 26 GLU H H 26 8.216 8.405 -0.189 1
1 335 . 18 1 1 A 26 26 GLU HA H 26 3.858 3.952 -0.094 1
1 340 . 18 1 1 A 26 26 GLU C C 26 177.409 178.648 -1.239 1
1 341 . 18 1 1 A 26 26 GLU CA C 26 59.105 59.498 -0.393 1
1 342 . 18 1 1 A 26 26 GLU CB C 26 29.025 29.316 -0.291 1
1 344 . 18 1 1 A 26 26 GLU N N 26 119.262 119.333 -0.071 1
1 345 . 18 1 1 A 27 27 HIS H H 27 7.815 7.896 -0.081 1
1 346 . 18 1 1 A 27 27 HIS HA H 27 4.183 4.136 0.047 1
1 349 . 18 1 1 A 27 27 HIS C C 27 175.618 176.468 -0.850 1
1 350 . 18 1 1 A 27 27 HIS CA C 27 58.932 59.237 -0.305 1
1 351 . 18 1 1 A 27 27 HIS CB C 27 29.358 30.389 -1.031 1
1 352 . 18 1 1 A 27 27 HIS N N 27 114.100 121.078 -6.978 1
1 353 . 18 1 1 A 28 28 TYR H H 28 8.628 8.397 0.231 1
1 354 . 18 1 1 A 28 28 TYR HA H 28 4.424 4.467 -0.043 1
1 361 . 18 1 1 A 28 28 TYR C C 28 177.445 176.654 0.791 1
1 362 . 18 1 1 A 28 28 TYR CA C 28 60.294 60.903 -0.609 1
1 363 . 18 1 1 A 28 28 TYR CB C 28 40.851 39.103 1.748 1
1 368 . 18 1 1 A 28 28 TYR N N 28 113.706 114.829 -1.123 1
1 369 . 18 1 1 A 29 29 GLY H H 29 7.713 7.720 -0.007 1
1 370 . 18 1 1 A 29 29 GLY HA2 H 29 4.366 3.920 0.446 1
1 371 . 18 1 1 A 29 29 GLY HA3 H 29 3.846 4.073 -0.227 1
1 372 . 18 1 1 A 29 29 GLY C C 29 172.549 175.217 -2.668 1
1 373 . 18 1 1 A 29 29 GLY CA C 29 44.258 44.520 -0.262 1
1 374 . 18 1 1 A 29 29 GLY N N 29 107.840 105.577 2.263 1
1 375 . 18 1 1 A 30 30 TRP H H 30 7.960 8.633 -0.673 1
1 376 . 18 1 1 A 30 30 TRP HA H 30 4.136 4.234 -0.098 1
1 385 . 18 1 1 A 30 30 TRP C C 30 178.090 178.899 -0.809 1
1 386 . 18 1 1 A 30 30 TRP CA C 30 60.502 60.360 0.142 1
1 387 . 18 1 1 A 30 30 TRP CB C 30 30.304 29.205 1.099 1
1 393 . 18 1 1 A 30 30 TRP N N 30 118.175 121.834 -3.659 1
1 395 . 18 1 1 A 31 31 GLU H H 31 8.549 8.514 0.035 1
1 396 . 18 1 1 A 31 31 GLU HA H 31 3.992 3.968 0.024 1
1 401 . 18 1 1 A 31 31 GLU C C 31 179.942 179.591 0.351 1
1 402 . 18 1 1 A 31 31 GLU CA C 31 60.090 60.109 -0.019 1
1 403 . 18 1 1 A 31 31 GLU CB C 31 28.474 29.490 -1.016 1
1 405 . 18 1 1 A 31 31 GLU N N 31 118.099 120.073 -1.974 1
1 406 . 18 1 1 A 32 32 GLU H H 32 8.962 7.723 1.239 1
1 407 . 18 1 1 A 32 32 GLU HA H 32 4.137 4.185 -0.048 1
1 412 . 18 1 1 A 32 32 GLU C C 32 179.651 179.451 0.200 1
1 413 . 18 1 1 A 32 32 GLU CA C 32 58.745 59.300 -0.555 1
1 414 . 18 1 1 A 32 32 GLU CB C 32 28.145 29.854 -1.709 1
1 416 . 18 1 1 A 32 32 GLU N N 32 120.094 119.987 0.107 1
1 417 . 18 1 1 A 33 33 LEU H H 33 7.748 8.293 -0.545 1
1 418 . 18 1 1 A 33 33 LEU HA H 33 3.922 3.955 -0.033 1
1 428 . 18 1 1 A 33 33 LEU C C 33 178.833 179.161 -0.328 1
1 429 . 18 1 1 A 33 33 LEU CA C 33 58.577 57.688 0.889 1
1 430 . 18 1 1 A 33 33 LEU CB C 33 41.269 41.440 -0.171 1
1 434 . 18 1 1 A 33 33 LEU N N 33 118.890 121.235 -2.345 1
1 435 . 18 1 1 A 34 34 SER H H 34 8.607 8.536 0.071 1
1 436 . 18 1 1 A 34 34 SER HA H 34 4.642 4.527 0.115 1
1 439 . 18 1 1 A 34 34 SER C C 34 175.346 176.600 -1.254 1
1 440 . 18 1 1 A 34 34 SER CA C 34 61.247 61.656 -0.409 1
1 441 . 18 1 1 A 34 34 SER CB C 34 63.043 62.894 0.149 1
1 442 . 18 1 1 A 34 34 SER N N 34 114.464 112.827 1.637 1
1 443 . 18 1 1 A 35 35 TYR H H 35 7.395 7.685 -0.290 1
1 444 . 18 1 1 A 35 35 TYR HA H 35 4.537 4.292 0.245 1
1 451 . 18 1 1 A 35 35 TYR C C 35 177.940 177.462 0.478 1
1 452 . 18 1 1 A 35 35 TYR CA C 35 58.907 61.579 -2.672 1
1 453 . 18 1 1 A 35 35 TYR CB C 35 37.852 38.563 -0.711 1
1 458 . 18 1 1 A 35 35 TYR N N 35 120.804 124.596 -3.792 1
1 459 . 18 1 1 A 36 36 MET H H 36 7.840 8.370 -0.530 1
1 460 . 18 1 1 A 36 36 MET HA H 36 4.158 4.273 -0.115 1
1 468 . 18 1 1 A 36 36 MET C C 36 177.049 178.002 -0.953 1
1 469 . 18 1 1 A 36 36 MET CA C 36 58.684 58.703 -0.019 1
1 470 . 18 1 1 A 36 36 MET CB C 36 34.927 33.249 1.678 1
1 473 . 18 1 1 A 36 36 MET N N 36 118.425 117.408 1.017 1
1 474 . 18 1 1 A 37 37 VAL H H 37 8.469 8.056 0.413 1
1 475 . 18 1 1 A 37 37 VAL HA H 37 4.265 4.102 0.163 1
1 483 . 18 1 1 A 37 37 VAL C C 37 173.959 176.077 -2.118 1
1 484 . 18 1 1 A 37 37 VAL CA C 37 61.621 63.389 -1.768 1
1 485 . 18 1 1 A 37 37 VAL CB C 37 32.527 32.057 0.470 1
1 488 . 18 1 1 A 37 37 VAL N N 37 117.997 119.401 -1.404 1
1 489 . 18 1 1 A 38 38 ASN H H 38 8.677 7.783 0.894 1
1 490 . 18 1 1 A 38 38 ASN HA H 38 4.948 4.334 0.614 1
1 495 . 18 1 1 A 38 38 ASN C C 38 174.710 174.540 0.170 1
1 496 . 18 1 1 A 38 38 ASN CA C 38 53.444 55.199 -1.755 1
1 497 . 18 1 1 A 38 38 ASN CB C 38 37.001 36.214 0.787 1
1 499 . 18 1 1 A 38 38 ASN N N 38 123.121 116.669 6.452 1
1 501 . 18 1 1 A 39 39 ILE H H 39 7.744 7.743 0.001 1
1 502 . 18 1 1 A 39 39 ILE HA H 39 4.655 4.157 0.498 1
1 512 . 18 1 1 A 39 39 ILE C C 39 176.996 176.355 0.641 1
1 513 . 18 1 1 A 39 39 ILE CA C 39 59.201 60.689 -1.488 1
1 514 . 18 1 1 A 39 39 ILE CB C 39 40.558 38.447 2.111 1
1 518 . 18 1 1 A 39 39 ILE N N 39 115.722 119.021 -3.299 1
1 519 . 18 1 1 A 40 40 ASN H H 40 8.881 9.021 -0.140 1
1 520 . 18 1 1 A 40 40 ASN HA H 40 4.192 4.709 -0.517 1
1 525 . 18 1 1 A 40 40 ASN C C 40 177.705 176.924 0.781 1
1 526 . 18 1 1 A 40 40 ASN CA C 40 56.883 53.082 3.801 1
1 527 . 18 1 1 A 40 40 ASN CB C 40 38.313 38.456 -0.143 1
1 529 . 18 1 1 A 40 40 ASN N N 40 124.600 121.756 2.844 1
1 531 . 18 1 1 A 41 41 CYS H H 41 8.034 7.662 0.372 1
1 532 . 18 1 1 A 41 41 CYS HA H 41 4.373 3.833 0.540 1
1 535 . 18 1 1 A 41 41 CYS C C 41 174.303 177.210 -2.907 1
1 536 . 18 1 1 A 41 41 CYS CA C 41 59.164 63.343 -4.179 1
1 537 . 18 1 1 A 41 41 CYS CB C 41 26.126 26.072 0.054 1
1 538 . 18 1 1 A 41 41 CYS N N 41 115.097 117.828 -2.731 1
1 539 . 18 1 1 A 42 42 PHE H H 42 7.031 7.748 -0.717 1
1 540 . 18 1 1 A 42 42 PHE HA H 42 4.937 4.184 0.753 1
1 548 . 18 1 1 A 42 42 PHE C C 42 174.437 177.411 -2.974 1
1 549 . 18 1 1 A 42 42 PHE CA C 42 54.439 61.354 -6.915 1
1 550 . 18 1 1 A 42 42 PHE CB C 42 38.059 38.366 -0.307 1
1 556 . 18 1 1 A 42 42 PHE N N 42 117.304 118.646 -1.342 1
1 557 . 18 1 1 A 43 43 LYS H H 43 7.371 7.649 -0.278 1
1 558 . 18 1 1 A 43 43 LYS HA H 43 4.304 4.285 0.019 1
1 567 . 18 1 1 A 43 43 LYS C C 43 175.800 176.466 -0.666 1
1 568 . 18 1 1 A 43 43 LYS CA C 43 57.474 57.164 0.310 1
1 569 . 18 1 1 A 43 43 LYS CB C 43 34.978 32.751 2.227 1
1 573 . 18 1 1 A 43 43 LYS N N 43 116.029 117.182 -1.153 1
1 574 . 18 1 1 A 44 44 LYS H H 44 7.593 7.456 0.137 1
1 575 . 18 1 1 A 44 44 LYS HA H 44 4.302 4.516 -0.214 1
1 584 . 18 1 1 A 44 44 LYS C C 44 173.608 175.428 -1.820 1
1 585 . 18 1 1 A 44 44 LYS CA C 44 55.169 54.888 0.281 1
1 586 . 18 1 1 A 44 44 LYS CB C 44 33.123 34.466 -1.343 1
1 590 . 18 1 1 A 44 44 LYS N N 44 119.851 121.278 -1.427 1
1 591 . 18 1 1 A 45 45 ASP H H 45 8.774 8.845 -0.071 1
1 592 . 18 1 1 A 45 45 ASP HA H 45 4.200 4.049 0.151 1
1 595 . 18 1 1 A 45 45 ASP C C 45 172.128 175.069 -2.941 1
1 596 . 18 1 1 A 45 45 ASP CA C 45 53.963 54.703 -0.740 1
1 597 . 18 1 1 A 45 45 ASP CB C 45 40.263 39.376 0.887 1
1 598 . 18 1 1 A 45 45 ASP N N 45 122.276 123.538 -1.262 1
1 599 . 18 1 1 A 46 46 PRO HA H 46 3.930 3.889 0.041 1
1 606 . 18 1 1 A 46 46 PRO C C 46 176.968 175.577 1.391 1
1 607 . 18 1 1 A 46 46 PRO CA C 46 62.964 61.995 0.969 1
1 608 . 18 1 1 A 46 46 PRO CB C 46 30.892 29.212 1.680 1
1 611 . 18 1 1 A 47 47 SER H H 47 8.018 7.997 0.021 1
1 612 . 18 1 1 A 47 47 SER HA H 47 4.676 4.901 -0.225 1
1 615 . 18 1 1 A 47 47 SER C C 47 175.465 174.021 1.444 1
1 616 . 18 1 1 A 47 47 SER CA C 47 57.014 57.278 -0.264 1
1 617 . 18 1 1 A 47 47 SER CB C 47 66.436 67.220 -0.784 1
1 618 . 18 1 1 A 47 47 SER N N 47 112.273 117.762 -5.489 1
1 619 . 18 1 1 A 48 48 ILE H H 48 9.489 9.066 0.423 1
1 620 . 18 1 1 A 48 48 ILE HA H 48 4.013 4.060 -0.047 1
1 630 . 18 1 1 A 48 48 ILE C C 48 177.681 177.938 -0.257 1
1 631 . 18 1 1 A 48 48 ILE CA C 48 64.456 65.785 -1.329 1
1 632 . 18 1 1 A 48 48 ILE CB C 48 36.382 37.831 -1.449 1
1 636 . 18 1 1 A 48 48 ILE N N 48 126.826 124.953 1.873 1
1 637 . 18 1 1 A 49 49 LYS H H 49 8.735 8.273 0.462 1
1 638 . 18 1 1 A 49 49 LYS HA H 49 3.984 4.004 -0.020 1
1 647 . 18 1 1 A 49 49 LYS C C 49 179.784 178.518 1.266 1
1 648 . 18 1 1 A 49 49 LYS CA C 49 60.562 59.699 0.863 1
1 649 . 18 1 1 A 49 49 LYS CB C 49 32.533 32.529 0.004 1
1 653 . 18 1 1 A 49 49 LYS N N 49 118.592 121.285 -2.693 1
1 654 . 18 1 1 A 50 50 SER H H 50 8.065 7.940 0.125 1
1 655 . 18 1 1 A 50 50 SER HA H 50 4.270 4.139 0.131 1
1 658 . 18 1 1 A 50 50 SER C C 50 178.135 177.404 0.731 1
1 659 . 18 1 1 A 50 50 SER CA C 50 61.431 61.771 -0.340 1
1 660 . 18 1 1 A 50 50 SER CB C 50 62.672 62.980 -0.308 1
1 661 . 18 1 1 A 50 50 SER N N 50 114.354 114.151 0.203 1
1 662 . 18 1 1 A 51 51 SER H H 51 8.300 7.797 0.503 1
1 663 . 18 1 1 A 51 51 SER HA H 51 4.681 4.417 0.264 1
1 666 . 18 1 1 A 51 51 SER C C 51 176.245 177.645 -1.400 1
1 667 . 18 1 1 A 51 51 SER CA C 51 63.327 61.782 1.545 1
1 668 . 18 1 1 A 51 51 SER CB C 51 64.340 63.228 1.112 1
1 669 . 18 1 1 A 51 51 SER N N 51 120.855 115.648 5.207 1
1 670 . 18 1 1 A 52 52 LEU H H 52 8.849 8.786 0.063 1
1 671 . 18 1 1 A 52 52 LEU HA H 52 3.902 4.010 -0.108 1
1 681 . 18 1 1 A 52 52 LEU C C 52 178.339 178.853 -0.514 1
1 682 . 18 1 1 A 52 52 LEU CA C 52 58.600 58.145 0.455 1
1 683 . 18 1 1 A 52 52 LEU CB C 52 41.685 41.532 0.153 1
1 687 . 18 1 1 A 52 52 LEU N N 52 122.627 121.756 0.871 1
1 688 . 18 1 1 A 53 53 LYS H H 53 7.268 7.574 -0.306 1
1 689 . 18 1 1 A 53 53 LYS HA H 53 3.957 4.165 -0.208 1
1 698 . 18 1 1 A 53 53 LYS C C 53 178.750 178.483 0.267 1
1 699 . 18 1 1 A 53 53 LYS CA C 53 59.867 58.499 1.368 1
1 700 . 18 1 1 A 53 53 LYS CB C 53 32.475 32.547 -0.072 1
1 704 . 18 1 1 A 53 53 LYS N N 53 117.100 117.836 -0.736 1
1 705 . 18 1 1 A 54 54 PHE H H 54 7.388 8.313 -0.925 1
1 706 . 18 1 1 A 54 54 PHE HA H 54 4.167 4.148 0.019 1
1 714 . 18 1 1 A 54 54 PHE C C 54 178.975 177.358 1.617 1
1 715 . 18 1 1 A 54 54 PHE CA C 54 61.515 61.011 0.504 1
1 716 . 18 1 1 A 54 54 PHE CB C 54 39.619 39.417 0.202 1
1 722 . 18 1 1 A 54 54 PHE N N 54 117.704 122.439 -4.735 1
1 723 . 18 1 1 A 55 55 LEU H H 55 9.142 8.728 0.414 1
1 724 . 18 1 1 A 55 55 LEU HA H 55 3.720 3.900 -0.180 1
1 734 . 18 1 1 A 55 55 LEU C C 55 178.763 179.425 -0.662 1
1 735 . 18 1 1 A 55 55 LEU CA C 55 57.656 57.564 0.092 1
1 736 . 18 1 1 A 55 55 LEU CB C 55 42.837 41.199 1.638 1
1 740 . 18 1 1 A 55 55 LEU N N 55 120.396 118.942 1.454 1
1 741 . 18 1 1 A 56 56 ARG H H 56 8.338 8.049 0.289 1
1 742 . 18 1 1 A 56 56 ARG HA H 56 3.855 3.941 -0.086 1
1 750 . 18 1 1 A 56 56 ARG C C 56 176.697 179.133 -2.436 1
1 751 . 18 1 1 A 56 56 ARG CA C 56 59.452 59.522 -0.070 1
1 752 . 18 1 1 A 56 56 ARG CB C 56 30.239 30.045 0.194 1
1 755 . 18 1 1 A 56 56 ARG N N 56 116.866 120.059 -3.193 1
1 757 . 18 1 1 A 57 57 LYS H H 57 6.770 8.249 -1.479 1
1 758 . 18 1 1 A 57 57 LYS HA H 57 4.542 4.065 0.477 1
1 767 . 18 1 1 A 57 57 LYS C C 57 176.148 176.663 -0.515 1
1 768 . 18 1 1 A 57 57 LYS CA C 57 55.545 58.748 -3.203 1
1 769 . 18 1 1 A 57 57 LYS CB C 57 33.805 32.060 1.745 1
1 773 . 18 1 1 A 57 57 LYS N N 57 113.205 118.448 -5.243 1
1 774 . 18 1 1 A 58 58 THR H H 58 6.908 7.747 -0.839 1
1 775 . 18 1 1 A 58 58 THR HA H 58 4.212 4.373 -0.161 1
1 780 . 18 1 1 A 58 58 THR C C 58 173.643 174.111 -0.468 1
1 781 . 18 1 1 A 58 58 THR CA C 58 60.688 60.611 0.077 1
1 782 . 18 1 1 A 58 58 THR CB C 58 67.557 67.992 -0.435 1
1 784 . 18 1 1 A 58 58 THR N N 58 117.915 113.865 4.050 1
1 785 . 18 1 1 A 59 59 ASP H H 59 8.789 8.230 0.559 1
1 786 . 18 1 1 A 59 59 ASP HA H 59 4.128 4.182 -0.054 1
1 789 . 18 1 1 A 59 59 ASP C C 59 178.565 177.791 0.774 1
1 790 . 18 1 1 A 59 59 ASP CA C 59 58.506 57.310 1.196 1
1 791 . 18 1 1 A 59 59 ASP CB C 59 39.530 40.760 -1.230 1
1 792 . 18 1 1 A 59 59 ASP N N 59 128.511 126.325 2.186 1
1 793 . 18 1 1 A 60 60 TRP H H 60 8.638 8.179 0.459 1
1 794 . 18 1 1 A 60 60 TRP HA H 60 4.375 4.512 -0.137 1
1 803 . 18 1 1 A 60 60 TRP C C 60 178.277 178.445 -0.168 1
1 804 . 18 1 1 A 60 60 TRP CA C 60 59.183 59.847 -0.664 1
1 805 . 18 1 1 A 60 60 TRP CB C 60 26.962 27.966 -1.004 1
1 811 . 18 1 1 A 60 60 TRP N N 60 117.515 118.931 -1.416 1
1 813 . 18 1 1 A 61 61 ALA H H 61 5.533 7.255 -1.722 1
1 814 . 18 1 1 A 61 61 ALA HA H 61 3.414 3.813 -0.399 1
1 818 . 18 1 1 A 61 61 ALA C C 61 177.616 179.442 -1.826 1
1 819 . 18 1 1 A 61 61 ALA CA C 61 54.478 54.698 -0.220 1
1 820 . 18 1 1 A 61 61 ALA CB C 61 17.904 17.922 -0.018 1
1 821 . 18 1 1 A 61 61 ALA N N 61 125.465 123.552 1.913 1
1 822 . 18 1 1 A 62 62 ARG H H 62 7.811 7.480 0.331 1
1 823 . 18 1 1 A 62 62 ARG HA H 62 3.617 4.021 -0.404 1
1 831 . 18 1 1 A 62 62 ARG C C 62 177.918 178.976 -1.058 1
1 832 . 18 1 1 A 62 62 ARG CA C 62 60.708 59.550 1.158 1
1 833 . 18 1 1 A 62 62 ARG CB C 62 29.156 29.878 -0.722 1
1 836 . 18 1 1 A 62 62 ARG N N 62 120.420 118.244 2.176 1
1 838 . 18 1 1 A 63 63 GLU H H 63 8.412 8.596 -0.184 1
1 839 . 18 1 1 A 63 63 GLU HA H 63 4.041 4.073 -0.032 1
1 844 . 18 1 1 A 63 63 GLU C C 63 178.935 179.607 -0.672 1
1 845 . 18 1 1 A 63 63 GLU CA C 63 59.509 59.435 0.074 1
1 846 . 18 1 1 A 63 63 GLU CB C 63 28.759 29.319 -0.560 1
1 848 . 18 1 1 A 63 63 GLU N N 63 117.144 117.422 -0.278 1
1 849 . 18 1 1 A 64 64 ARG H H 64 7.603 7.815 -0.212 1
1 850 . 18 1 1 A 64 64 ARG HA H 64 4.256 4.083 0.173 1
1 858 . 18 1 1 A 64 64 ARG C C 64 179.133 178.388 0.745 1
1 859 . 18 1 1 A 64 64 ARG CA C 64 59.340 59.608 -0.268 1
1 860 . 18 1 1 A 64 64 ARG CB C 64 30.067 30.836 -0.769 1
1 863 . 18 1 1 A 64 64 ARG N N 64 118.298 119.802 -1.504 1
1 865 . 18 1 1 A 65 65 VAL H H 65 8.065 8.083 -0.018 1
1 866 . 18 1 1 A 65 65 VAL HA H 65 3.713 3.500 0.213 1
1 874 . 18 1 1 A 65 65 VAL C C 65 177.638 177.748 -0.110 1
1 875 . 18 1 1 A 65 65 VAL CA C 65 66.891 66.520 0.371 1
1 876 . 18 1 1 A 65 65 VAL CB C 65 31.480 31.434 0.046 1
1 879 . 18 1 1 A 65 65 VAL N N 65 117.270 119.868 -2.598 1
1 880 . 18 1 1 A 66 66 GLU H H 66 8.583 8.593 -0.010 1
1 881 . 18 1 1 A 66 66 GLU HA H 66 3.912 3.933 -0.021 1
1 886 . 18 1 1 A 66 66 GLU C C 66 178.380 179.302 -0.922 1
1 887 . 18 1 1 A 66 66 GLU CA C 66 60.256 59.941 0.315 1
1 888 . 18 1 1 A 66 66 GLU CB C 66 28.691 29.215 -0.524 1
1 890 . 18 1 1 A 66 66 GLU N N 66 119.924 118.997 0.927 1
1 891 . 18 1 1 A 67 67 ASN H H 67 8.267 8.490 -0.223 1
1 892 . 18 1 1 A 67 67 ASN HA H 67 4.567 4.497 0.070 1
1 897 . 18 1 1 A 67 67 ASN C C 67 178.338 177.833 0.505 1
1 898 . 18 1 1 A 67 67 ASN CA C 67 56.900 56.959 -0.059 1
1 899 . 18 1 1 A 67 67 ASN CB C 67 38.802 39.645 -0.843 1
1 901 . 18 1 1 A 67 67 ASN N N 67 117.574 117.576 -0.002 1
1 903 . 18 1 1 A 68 68 ILE H H 68 8.132 7.832 0.300 1
1 904 . 18 1 1 A 68 68 ILE HA H 68 3.726 3.608 0.118 1
1 914 . 18 1 1 A 68 68 ILE C C 68 178.722 177.994 0.728 1
1 915 . 18 1 1 A 68 68 ILE CA C 68 65.388 65.374 0.014 1
1 916 . 18 1 1 A 68 68 ILE CB C 68 37.841 37.616 0.225 1
1 920 . 18 1 1 A 68 68 ILE N N 68 121.125 119.259 1.866 1
1 921 . 18 1 1 A 69 69 TYR H H 69 8.146 8.146 0.000 1
1 922 . 18 1 1 A 69 69 TYR HA H 69 4.058 4.181 -0.123 1
1 929 . 18 1 1 A 69 69 TYR C C 69 177.061 177.394 -0.333 1
1 930 . 18 1 1 A 69 69 TYR CA C 69 62.828 61.397 1.431 1
1 931 . 18 1 1 A 69 69 TYR CB C 69 38.747 38.971 -0.224 1
1 936 . 18 1 1 A 69 69 TYR N N 69 121.378 121.306 0.072 1
1 937 . 18 1 1 A 70 70 LEU H H 70 8.630 8.822 -0.192 1
1 938 . 18 1 1 A 70 70 LEU HA H 70 3.875 3.876 -0.001 1
1 948 . 18 1 1 A 70 70 LEU C C 70 179.755 179.596 0.159 1
1 949 . 18 1 1 A 70 70 LEU CA C 70 58.230 58.274 -0.044 1
1 950 . 18 1 1 A 70 70 LEU CB C 70 41.733 41.554 0.179 1
1 954 . 18 1 1 A 70 70 LEU N N 70 120.179 119.778 0.401 1
1 955 . 18 1 1 A 71 71 LYS H H 71 7.950 8.366 -0.416 1
1 956 . 18 1 1 A 71 71 LYS HA H 71 3.957 3.972 -0.015 1
1 965 . 18 1 1 A 71 71 LYS C C 71 178.961 178.960 0.001 1
1 966 . 18 1 1 A 71 71 LYS CA C 71 59.684 59.549 0.135 1
1 967 . 18 1 1 A 71 71 LYS CB C 71 32.421 32.294 0.127 1
1 971 . 18 1 1 A 71 71 LYS N N 71 118.820 120.360 -1.540 1
1 972 . 18 1 1 A 72 72 LEU H H 72 7.731 7.880 -0.149 1
1 973 . 18 1 1 A 72 72 LEU HA H 72 4.037 3.970 0.067 1
1 983 . 18 1 1 A 72 72 LEU C C 72 178.533 178.613 -0.080 1
1 984 . 18 1 1 A 72 72 LEU CA C 72 57.352 58.000 -0.648 1
1 985 . 18 1 1 A 72 72 LEU CB C 72 41.406 41.586 -0.180 1
1 989 . 18 1 1 A 72 72 LEU N N 72 121.367 121.260 0.107 1
1 990 . 18 1 1 A 73 73 GLN H H 73 7.884 7.952 -0.068 1
1 991 . 18 1 1 A 73 73 GLN HA H 73 3.852 3.893 -0.041 1
1 998 . 18 1 1 A 73 73 GLN C C 73 177.679 178.973 -1.294 1
1 999 . 18 1 1 A 73 73 GLN CA C 73 57.026 59.158 -2.132 1
1 1000 . 18 1 1 A 73 73 GLN CB C 73 28.148 28.263 -0.115 1
1 1003 . 18 1 1 A 73 73 GLN N N 73 116.639 117.961 -1.322 1
1 1005 . 18 1 1 A 74 74 ARG H H 74 7.725 7.918 -0.193 1
1 1006 . 18 1 1 A 74 74 ARG HA H 74 4.136 4.008 0.128 1
1 1013 . 18 1 1 A 74 74 ARG C C 74 177.235 178.998 -1.763 1
1 1014 . 18 1 1 A 74 74 ARG CA C 74 57.452 58.833 -1.381 1
1 1015 . 18 1 1 A 74 74 ARG CB C 74 30.308 29.629 0.679 1
1 1018 . 18 1 1 A 74 74 ARG N N 74 118.122 120.016 -1.894 1
1 1019 . 18 1 1 A 75 75 HIS H H 75 7.982 8.230 -0.248 1
1 1020 . 18 1 1 A 75 75 HIS HA H 75 4.564 4.168 0.396 1
1 1023 . 18 1 1 A 75 75 HIS C C 75 175.202 177.022 -1.820 1
1 1024 . 18 1 1 A 75 75 HIS CA C 75 56.587 59.476 -2.889 1
1 1025 . 18 1 1 A 75 75 HIS CB C 75 28.477 29.880 -1.403 1
1 1026 . 18 1 1 A 75 75 HIS N N 75 117.995 119.680 -1.685 1
1 1027 . 18 1 1 A 76 76 LYS H H 76 8.180 7.857 0.323 1
1 1028 . 18 1 1 A 76 76 LYS HA H 76 4.148 4.154 -0.006 1
1 1037 . 18 1 1 A 76 76 LYS C C 76 177.303 176.718 0.585 1
1 1038 . 18 1 1 A 76 76 LYS CA C 76 57.550 55.006 2.544 1
1 1039 . 18 1 1 A 76 76 LYS CB C 76 32.789 30.545 2.244 1
1 1043 . 18 1 1 A 76 76 LYS N N 76 121.510 119.111 2.399 1
1 1044 . 18 1 1 A 77 77 GLU H H 77 8.321 8.097 0.224 1
1 1045 . 18 1 1 A 77 77 GLU HA H 77 4.224 4.119 0.105 1
1 1050 . 18 1 1 A 77 77 GLU C C 77 177.067 176.853 0.214 1
1 1051 . 18 1 1 A 77 77 GLU CA C 77 56.991 58.119 -1.128 1
1 1052 . 18 1 1 A 77 77 GLU CB C 77 29.841 28.796 1.045 1
1 1054 . 18 1 1 A 77 77 GLU N N 77 120.860 122.408 -1.548 1
1 1055 . 18 1 1 A 78 78 ARG H H 78 8.228 7.697 0.531 1
1 1056 . 18 1 1 A 78 78 ARG HA H 78 4.240 4.277 -0.037 1
1 1063 . 18 1 1 A 78 78 ARG C C 78 176.577 175.488 1.089 1
1 1064 . 18 1 1 A 78 78 ARG CA C 78 56.786 56.034 0.752 1
1 1065 . 18 1 1 A 78 78 ARG CB C 78 30.413 31.114 -0.701 1
1 1068 . 18 1 1 A 78 78 ARG N N 78 121.081 121.728 -0.647 1
1 1069 . 18 1 1 A 79 79 ASN H H 79 8.333 8.599 -0.266 1
1 1070 . 18 1 1 A 79 79 ASN HA H 79 4.617 5.138 -0.521 1
1 1075 . 18 1 1 A 79 79 ASN C C 79 175.605 174.269 1.336 1
1 1076 . 18 1 1 A 79 79 ASN CA C 79 53.938 52.304 1.634 1
1 1077 . 18 1 1 A 79 79 ASN CB C 79 38.748 39.621 -0.873 1
1 1079 . 18 1 1 A 79 79 ASN N N 79 118.880 124.117 -5.237 1
1 1081 . 18 1 1 A 80 80 GLN H H 80 8.285 8.473 -0.188 1
1 1082 . 18 1 1 A 80 80 GLN HA H 80 4.253 4.643 -0.390 1
1 1089 . 18 1 1 A 80 80 GLN C C 80 176.304 173.918 2.386 1
1 1090 . 18 1 1 A 80 80 GLN CA C 80 56.545 55.174 1.371 1
1 1091 . 18 1 1 A 80 80 GLN CB C 80 29.274 32.963 -3.689 1
1 1094 . 18 1 1 A 80 80 GLN N N 80 120.222 120.104 0.118 1
1 1096 . 18 1 1 A 81 81 LEU H H 81 8.130 8.390 -0.260 1
1 1097 . 18 1 1 A 81 81 LEU HA H 81 4.222 4.381 -0.159 1
1 1107 . 18 1 1 A 81 81 LEU C C 81 177.542 177.355 0.187 1
1 1108 . 18 1 1 A 81 81 LEU CA C 81 55.736 54.081 1.655 1
1 1109 . 18 1 1 A 81 81 LEU CB C 81 42.196 43.623 -1.427 1
1 1113 . 18 1 1 A 81 81 LEU N N 81 122.119 120.923 1.196 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.081 4.366 -0.285 1
1 5 . 19 1 1 A 2 2 ALA C C 2 173.423 178.537 -5.114 1
1 6 . 19 1 1 A 2 2 ALA CA C 2 51.798 53.024 -1.226 1
1 7 . 19 1 1 A 2 2 ALA CB C 2 19.502 18.930 0.572 1
1 8 . 19 1 1 A 3 3 LEU H H 3 8.547 8.835 -0.288 1
1 9 . 19 1 1 A 3 3 LEU HA H 3 4.394 4.180 0.214 1
1 19 . 19 1 1 A 3 3 LEU C C 3 176.779 176.931 -0.152 1
1 20 . 19 1 1 A 3 3 LEU CA C 3 55.226 57.183 -1.957 1
1 21 . 19 1 1 A 3 3 LEU CB C 3 42.472 42.012 0.460 1
1 25 . 19 1 1 A 3 3 LEU N N 3 122.089 125.978 -3.889 1
1 26 . 19 1 1 A 4 4 ILE H H 4 8.319 8.002 0.317 1
1 27 . 19 1 1 A 4 4 ILE HA H 4 4.167 4.389 -0.222 1
1 37 . 19 1 1 A 4 4 ILE C C 4 176.138 174.579 1.559 1
1 38 . 19 1 1 A 4 4 ILE CA C 4 60.894 60.548 0.346 1
1 39 . 19 1 1 A 4 4 ILE CB C 4 38.595 38.178 0.417 1
1 43 . 19 1 1 A 4 4 ILE N N 4 123.468 118.780 4.688 1
1 44 . 19 1 1 A 5 5 MET H H 5 8.574 8.894 -0.320 1
1 45 . 19 1 1 A 5 5 MET HA H 5 4.584 4.876 -0.292 1
1 50 . 19 1 1 A 5 5 MET C C 5 176.274 174.734 1.540 1
1 51 . 19 1 1 A 5 5 MET CA C 5 55.348 54.677 0.671 1
1 52 . 19 1 1 A 5 5 MET CB C 5 32.961 33.754 -0.793 1
1 54 . 19 1 1 A 5 5 MET N N 5 125.527 128.467 -2.940 1
1 55 . 19 1 1 A 6 6 THR H H 6 8.172 8.895 -0.723 1
1 56 . 19 1 1 A 6 6 THR HA H 6 4.331 5.008 -0.677 1
1 61 . 19 1 1 A 6 6 THR C C 6 174.578 172.816 1.762 1
1 62 . 19 1 1 A 6 6 THR CA C 6 61.849 61.928 -0.079 1
1 63 . 19 1 1 A 6 6 THR CB C 6 69.904 70.970 -1.066 1
1 65 . 19 1 1 A 6 6 THR N N 6 115.487 120.823 -5.336 1
1 66 . 19 1 1 A 7 7 GLN H H 7 8.461 8.716 -0.255 1
1 67 . 19 1 1 A 7 7 GLN HA H 7 4.317 4.961 -0.644 1
1 74 . 19 1 1 A 7 7 GLN C C 7 176.108 175.868 0.240 1
1 75 . 19 1 1 A 7 7 GLN CA C 7 56.149 54.143 2.006 1
1 76 . 19 1 1 A 7 7 GLN CB C 7 29.491 31.653 -2.162 1
1 79 . 19 1 1 A 7 7 GLN N N 7 122.199 127.050 -4.851 1
1 81 . 19 1 1 A 8 8 GLN H H 8 8.418 8.842 -0.424 1
1 82 . 19 1 1 A 8 8 GLN HA H 8 4.219 3.942 0.277 1
1 89 . 19 1 1 A 8 8 GLN C C 8 175.704 177.497 -1.793 1
1 90 . 19 1 1 A 8 8 GLN CA C 8 56.112 58.524 -2.412 1
1 91 . 19 1 1 A 8 8 GLN CB C 8 29.435 28.821 0.614 1
1 94 . 19 1 1 A 8 8 GLN N N 8 121.100 126.304 -5.204 1
1 96 . 19 1 1 A 9 9 ASN H H 9 8.404 7.994 0.410 1
1 97 . 19 1 1 A 9 9 ASN HA H 9 4.654 4.613 0.041 1
1 102 . 19 1 1 A 9 9 ASN C C 9 174.445 175.198 -0.753 1
1 103 . 19 1 1 A 9 9 ASN CA C 9 53.190 55.422 -2.232 1
1 104 . 19 1 1 A 9 9 ASN CB C 9 38.913 39.265 -0.352 1
1 106 . 19 1 1 A 9 9 ASN N N 9 119.104 114.140 4.964 1
1 108 . 19 1 1 A 10 10 ASN H H 10 8.306 8.037 0.269 1
1 109 . 19 1 1 A 10 10 ASN HA H 10 4.964 4.887 0.077 1
1 114 . 19 1 1 A 10 10 ASN C C 10 174.315 176.035 -1.720 1
1 115 . 19 1 1 A 10 10 ASN CA C 10 51.318 53.640 -2.322 1
1 116 . 19 1 1 A 10 10 ASN CB C 10 38.992 37.082 1.910 1
1 118 . 19 1 1 A 10 10 ASN N N 10 119.847 114.030 5.817 1
1 120 . 19 1 1 A 11 11 PRO HA H 11 4.427 4.413 0.014 1
1 127 . 19 1 1 A 11 11 PRO C C 11 177.095 177.819 -0.724 1
1 128 . 19 1 1 A 11 11 PRO CA C 11 64.214 64.941 -0.727 1
1 129 . 19 1 1 A 11 11 PRO CB C 11 32.355 32.191 0.164 1
1 132 . 19 1 1 A 12 12 LEU H H 12 8.102 8.462 -0.360 1
1 133 . 19 1 1 A 12 12 LEU HA H 12 4.320 4.346 -0.026 1
1 143 . 19 1 1 A 12 12 LEU C C 12 177.341 176.766 0.575 1
1 144 . 19 1 1 A 12 12 LEU CA C 12 54.883 54.516 0.367 1
1 145 . 19 1 1 A 12 12 LEU CB C 12 41.300 41.175 0.125 1
1 149 . 19 1 1 A 12 12 LEU N N 12 117.525 114.771 2.754 1
1 150 . 19 1 1 A 13 13 HIS H H 13 8.004 8.802 -0.798 1
1 151 . 19 1 1 A 13 13 HIS HA H 13 4.453 4.566 -0.113 1
1 154 . 19 1 1 A 13 13 HIS C C 13 175.375 175.358 0.017 1
1 155 . 19 1 1 A 13 13 HIS CA C 13 56.796 57.441 -0.645 1
1 156 . 19 1 1 A 13 13 HIS CB C 13 28.248 30.741 -2.493 1
1 157 . 19 1 1 A 13 13 HIS N N 13 117.833 121.675 -3.842 1
1 158 . 19 1 1 A 14 14 GLY H H 14 8.530 8.015 0.515 1
1 159 . 19 1 1 A 14 14 GLY HA2 H 14 3.930 3.727 0.203 1
1 160 . 19 1 1 A 14 14 GLY HA3 H 14 3.755 3.777 -0.022 1
1 161 . 19 1 1 A 14 14 GLY C C 14 173.536 173.421 0.115 1
1 162 . 19 1 1 A 14 14 GLY CA C 14 45.529 46.680 -1.151 1
1 163 . 19 1 1 A 14 14 GLY N N 14 110.385 105.978 4.407 1
1 164 . 19 1 1 A 15 15 ILE H H 15 7.563 7.974 -0.411 1
1 165 . 19 1 1 A 15 15 ILE HA H 15 4.392 3.962 0.430 1
1 175 . 19 1 1 A 15 15 ILE C C 15 174.878 176.268 -1.390 1
1 176 . 19 1 1 A 15 15 ILE CA C 15 60.102 62.000 -1.898 1
1 177 . 19 1 1 A 15 15 ILE CB C 15 39.383 37.354 2.029 1
1 181 . 19 1 1 A 15 15 ILE N N 15 120.363 125.143 -4.780 1
1 182 . 19 1 1 A 16 16 THR H H 16 7.643 8.438 -0.795 1
1 183 . 19 1 1 A 16 16 THR HA H 16 4.381 4.726 -0.345 1
1 188 . 19 1 1 A 16 16 THR C C 16 174.950 175.494 -0.544 1
1 189 . 19 1 1 A 16 16 THR CA C 16 60.355 60.282 0.073 1
1 190 . 19 1 1 A 16 16 THR CB C 16 70.834 71.397 -0.563 1
1 192 . 19 1 1 A 16 16 THR N N 16 115.980 120.051 -4.071 1
1 193 . 19 1 1 A 17 17 LEU H H 17 8.712 8.859 -0.147 1
1 194 . 19 1 1 A 17 17 LEU HA H 17 4.029 3.996 0.033 1
1 204 . 19 1 1 A 17 17 LEU C C 17 178.125 177.910 0.215 1
1 205 . 19 1 1 A 17 17 LEU CA C 17 57.582 58.371 -0.789 1
1 206 . 19 1 1 A 17 17 LEU CB C 17 40.906 41.189 -0.283 1
1 210 . 19 1 1 A 17 17 LEU N N 17 123.337 123.323 0.014 1
1 211 . 19 1 1 A 18 18 GLN H H 18 8.611 8.336 0.275 1
1 212 . 19 1 1 A 18 18 GLN HA H 18 3.774 3.974 -0.200 1
1 219 . 19 1 1 A 18 18 GLN C C 18 178.211 178.542 -0.331 1
1 220 . 19 1 1 A 18 18 GLN CA C 18 60.388 59.325 1.063 1
1 221 . 19 1 1 A 18 18 GLN CB C 18 27.809 28.069 -0.260 1
1 224 . 19 1 1 A 18 18 GLN N N 18 116.423 118.725 -2.302 1
1 226 . 19 1 1 A 19 19 LYS H H 19 7.861 7.664 0.197 1
1 227 . 19 1 1 A 19 19 LYS HA H 19 3.957 4.163 -0.206 1
1 236 . 19 1 1 A 19 19 LYS C C 19 177.806 178.896 -1.090 1
1 237 . 19 1 1 A 19 19 LYS CA C 19 59.684 58.777 0.907 1
1 238 . 19 1 1 A 19 19 LYS CB C 19 32.300 32.039 0.261 1
1 242 . 19 1 1 A 19 19 LYS N N 19 123.583 120.223 3.360 1
1 243 . 19 1 1 A 20 20 LEU H H 20 8.223 8.080 0.143 1
1 244 . 19 1 1 A 20 20 LEU HA H 20 3.418 3.882 -0.464 1
1 254 . 19 1 1 A 20 20 LEU C C 20 178.417 178.277 0.140 1
1 255 . 19 1 1 A 20 20 LEU CA C 20 59.301 58.097 1.204 1
1 256 . 19 1 1 A 20 20 LEU CB C 20 41.370 41.667 -0.297 1
1 260 . 19 1 1 A 20 20 LEU N N 20 121.397 121.048 0.349 1
1 261 . 19 1 1 A 21 21 LEU H H 21 8.649 8.047 0.602 1
1 262 . 19 1 1 A 21 21 LEU HA H 21 3.872 3.844 0.028 1
1 272 . 19 1 1 A 21 21 LEU C C 21 178.009 178.465 -0.456 1
1 273 . 19 1 1 A 21 21 LEU CA C 21 58.027 58.076 -0.049 1
1 274 . 19 1 1 A 21 21 LEU CB C 21 42.279 41.454 0.825 1
1 278 . 19 1 1 A 21 21 LEU N N 21 118.999 119.610 -0.611 1
1 279 . 19 1 1 A 22 22 THR H H 22 8.025 8.001 0.024 1
1 280 . 19 1 1 A 22 22 THR HA H 22 3.592 3.820 -0.228 1
1 285 . 19 1 1 A 22 22 THR C C 22 176.358 176.113 0.245 1
1 286 . 19 1 1 A 22 22 THR CA C 22 67.879 66.790 1.089 1
1 287 . 19 1 1 A 22 22 THR CB C 22 68.717 68.643 0.074 1
1 289 . 19 1 1 A 22 22 THR N N 22 115.015 114.815 0.200 1
1 290 . 19 1 1 A 23 23 GLU H H 23 8.158 8.698 -0.540 1
1 291 . 19 1 1 A 23 23 GLU HA H 23 4.068 4.091 -0.023 1
1 296 . 19 1 1 A 23 23 GLU C C 23 180.091 180.030 0.061 1
1 297 . 19 1 1 A 23 23 GLU CA C 23 59.845 59.628 0.217 1
1 298 . 19 1 1 A 23 23 GLU CB C 23 29.101 29.401 -0.300 1
1 300 . 19 1 1 A 23 23 GLU N N 23 120.691 119.483 1.208 1
1 301 . 19 1 1 A 24 24 LEU H H 24 8.121 7.971 0.150 1
1 302 . 19 1 1 A 24 24 LEU HA H 24 4.140 4.287 -0.147 1
1 312 . 19 1 1 A 24 24 LEU C C 24 179.047 178.914 0.133 1
1 313 . 19 1 1 A 24 24 LEU CA C 24 58.438 57.923 0.515 1
1 314 . 19 1 1 A 24 24 LEU CB C 24 42.715 41.567 1.148 1
1 318 . 19 1 1 A 24 24 LEU N N 24 119.210 120.549 -1.339 1
1 319 . 19 1 1 A 25 25 VAL H H 25 8.577 8.018 0.559 1
1 320 . 19 1 1 A 25 25 VAL HA H 25 2.698 3.233 -0.535 1
1 328 . 19 1 1 A 25 25 VAL C C 25 179.143 177.817 1.326 1
1 329 . 19 1 1 A 25 25 VAL CA C 25 67.077 66.695 0.382 1
1 330 . 19 1 1 A 25 25 VAL CB C 25 31.127 31.252 -0.125 1
1 333 . 19 1 1 A 25 25 VAL N N 25 122.036 119.430 2.606 1
1 334 . 19 1 1 A 26 26 GLU H H 26 8.216 8.220 -0.004 1
1 335 . 19 1 1 A 26 26 GLU HA H 26 3.858 3.924 -0.066 1
1 340 . 19 1 1 A 26 26 GLU C C 26 177.409 178.402 -0.993 1
1 341 . 19 1 1 A 26 26 GLU CA C 26 59.105 59.327 -0.222 1
1 342 . 19 1 1 A 26 26 GLU CB C 26 29.025 29.604 -0.579 1
1 344 . 19 1 1 A 26 26 GLU N N 26 119.262 118.883 0.379 1
1 345 . 19 1 1 A 27 27 HIS H H 27 7.815 8.280 -0.465 1
1 346 . 19 1 1 A 27 27 HIS HA H 27 4.183 4.309 -0.126 1
1 349 . 19 1 1 A 27 27 HIS C C 27 175.618 175.043 0.575 1
1 350 . 19 1 1 A 27 27 HIS CA C 27 58.932 56.929 2.003 1
1 351 . 19 1 1 A 27 27 HIS CB C 27 29.358 30.125 -0.767 1
1 352 . 19 1 1 A 27 27 HIS N N 27 114.100 118.614 -4.514 1
1 353 . 19 1 1 A 28 28 TYR H H 28 8.628 7.875 0.753 1
1 354 . 19 1 1 A 28 28 TYR HA H 28 4.424 4.548 -0.124 1
1 361 . 19 1 1 A 28 28 TYR C C 28 177.445 176.368 1.077 1
1 362 . 19 1 1 A 28 28 TYR CA C 28 60.294 59.357 0.937 1
1 363 . 19 1 1 A 28 28 TYR CB C 28 40.851 40.279 0.572 1
1 368 . 19 1 1 A 28 28 TYR N N 28 113.706 115.432 -1.726 1
1 369 . 19 1 1 A 29 29 GLY H H 29 7.713 7.765 -0.052 1
1 370 . 19 1 1 A 29 29 GLY HA2 H 29 4.366 4.078 0.288 1
1 371 . 19 1 1 A 29 29 GLY HA3 H 29 3.846 4.152 -0.306 1
1 372 . 19 1 1 A 29 29 GLY C C 29 172.549 175.152 -2.603 1
1 373 . 19 1 1 A 29 29 GLY CA C 29 44.258 44.513 -0.255 1
1 374 . 19 1 1 A 29 29 GLY N N 29 107.840 104.940 2.900 1
1 375 . 19 1 1 A 30 30 TRP H H 30 7.960 8.938 -0.978 1
1 376 . 19 1 1 A 30 30 TRP HA H 30 4.136 4.252 -0.116 1
1 385 . 19 1 1 A 30 30 TRP C C 30 178.090 178.883 -0.793 1
1 386 . 19 1 1 A 30 30 TRP CA C 30 60.502 60.207 0.295 1
1 387 . 19 1 1 A 30 30 TRP CB C 30 30.304 29.201 1.103 1
1 393 . 19 1 1 A 30 30 TRP N N 30 118.175 122.218 -4.043 1
1 395 . 19 1 1 A 31 31 GLU H H 31 8.549 8.638 -0.089 1
1 396 . 19 1 1 A 31 31 GLU HA H 31 3.992 4.048 -0.056 1
1 401 . 19 1 1 A 31 31 GLU C C 31 179.942 179.521 0.421 1
1 402 . 19 1 1 A 31 31 GLU CA C 31 60.090 60.441 -0.351 1
1 403 . 19 1 1 A 31 31 GLU CB C 31 28.474 29.221 -0.747 1
1 405 . 19 1 1 A 31 31 GLU N N 31 118.099 120.040 -1.941 1
1 406 . 19 1 1 A 32 32 GLU H H 32 8.962 8.050 0.912 1
1 407 . 19 1 1 A 32 32 GLU HA H 32 4.137 4.157 -0.020 1
1 412 . 19 1 1 A 32 32 GLU C C 32 179.651 179.305 0.346 1
1 413 . 19 1 1 A 32 32 GLU CA C 32 58.745 58.989 -0.244 1
1 414 . 19 1 1 A 32 32 GLU CB C 32 28.145 30.127 -1.982 1
1 416 . 19 1 1 A 32 32 GLU N N 32 120.094 120.842 -0.748 1
1 417 . 19 1 1 A 33 33 LEU H H 33 7.748 8.050 -0.302 1
1 418 . 19 1 1 A 33 33 LEU HA H 33 3.922 3.893 0.029 1
1 428 . 19 1 1 A 33 33 LEU C C 33 178.833 179.273 -0.440 1
1 429 . 19 1 1 A 33 33 LEU CA C 33 58.577 57.623 0.954 1
1 430 . 19 1 1 A 33 33 LEU CB C 33 41.269 41.076 0.193 1
1 434 . 19 1 1 A 33 33 LEU N N 33 118.890 121.032 -2.142 1
1 435 . 19 1 1 A 34 34 SER H H 34 8.607 8.488 0.119 1
1 436 . 19 1 1 A 34 34 SER HA H 34 4.642 4.583 0.059 1
1 439 . 19 1 1 A 34 34 SER C C 34 175.346 176.245 -0.899 1
1 440 . 19 1 1 A 34 34 SER CA C 34 61.247 61.237 0.010 1
1 441 . 19 1 1 A 34 34 SER CB C 34 63.043 63.276 -0.233 1
1 442 . 19 1 1 A 34 34 SER N N 34 114.464 112.783 1.681 1
1 443 . 19 1 1 A 35 35 TYR H H 35 7.395 8.024 -0.629 1
1 444 . 19 1 1 A 35 35 TYR HA H 35 4.537 4.228 0.309 1
1 451 . 19 1 1 A 35 35 TYR C C 35 177.940 177.446 0.494 1
1 452 . 19 1 1 A 35 35 TYR CA C 35 58.907 61.272 -2.365 1
1 453 . 19 1 1 A 35 35 TYR CB C 35 37.852 38.545 -0.693 1
1 458 . 19 1 1 A 35 35 TYR N N 35 120.804 123.901 -3.097 1
1 459 . 19 1 1 A 36 36 MET H H 36 7.840 8.055 -0.215 1
1 460 . 19 1 1 A 36 36 MET HA H 36 4.158 4.356 -0.198 1
1 468 . 19 1 1 A 36 36 MET C C 36 177.049 175.300 1.749 1
1 469 . 19 1 1 A 36 36 MET CA C 36 58.684 56.546 2.138 1
1 470 . 19 1 1 A 36 36 MET CB C 36 34.927 32.916 2.011 1
1 473 . 19 1 1 A 36 36 MET N N 36 118.425 116.752 1.673 1
1 474 . 19 1 1 A 37 37 VAL H H 37 8.469 7.916 0.553 1
1 475 . 19 1 1 A 37 37 VAL HA H 37 4.265 4.520 -0.255 1
1 483 . 19 1 1 A 37 37 VAL C C 37 173.959 174.695 -0.736 1
1 484 . 19 1 1 A 37 37 VAL CA C 37 61.621 61.917 -0.296 1
1 485 . 19 1 1 A 37 37 VAL CB C 37 32.527 33.561 -1.034 1
1 488 . 19 1 1 A 37 37 VAL N N 37 117.997 118.670 -0.673 1
1 489 . 19 1 1 A 38 38 ASN H H 38 8.677 8.977 -0.300 1
1 490 . 19 1 1 A 38 38 ASN HA H 38 4.948 5.046 -0.098 1
1 495 . 19 1 1 A 38 38 ASN C C 38 174.710 174.568 0.142 1
1 496 . 19 1 1 A 38 38 ASN CA C 38 53.444 52.722 0.722 1
1 497 . 19 1 1 A 38 38 ASN CB C 38 37.001 37.134 -0.133 1
1 499 . 19 1 1 A 38 38 ASN N N 38 123.121 126.428 -3.307 1
1 501 . 19 1 1 A 39 39 ILE H H 39 7.744 8.221 -0.477 1
1 502 . 19 1 1 A 39 39 ILE HA H 39 4.655 4.936 -0.281 1
1 512 . 19 1 1 A 39 39 ILE C C 39 176.996 174.114 2.882 1
1 513 . 19 1 1 A 39 39 ILE CA C 39 59.201 58.581 0.620 1
1 514 . 19 1 1 A 39 39 ILE CB C 39 40.558 41.641 -1.083 1
1 518 . 19 1 1 A 39 39 ILE N N 39 115.722 117.569 -1.847 1
1 519 . 19 1 1 A 40 40 ASN H H 40 8.881 8.772 0.109 1
1 520 . 19 1 1 A 40 40 ASN HA H 40 4.192 4.663 -0.471 1
1 525 . 19 1 1 A 40 40 ASN C C 40 177.705 174.524 3.181 1
1 526 . 19 1 1 A 40 40 ASN CA C 40 56.883 52.282 4.601 1
1 527 . 19 1 1 A 40 40 ASN CB C 40 38.313 37.000 1.313 1
1 529 . 19 1 1 A 40 40 ASN N N 40 124.600 123.717 0.883 1
1 531 . 19 1 1 A 41 41 CYS H H 41 8.034 8.261 -0.227 1
1 532 . 19 1 1 A 41 41 CYS HA H 41 4.373 4.428 -0.055 1
1 535 . 19 1 1 A 41 41 CYS C C 41 174.303 175.922 -1.619 1
1 536 . 19 1 1 A 41 41 CYS CA C 41 59.164 60.196 -1.032 1
1 537 . 19 1 1 A 41 41 CYS CB C 41 26.126 28.543 -2.417 1
1 538 . 19 1 1 A 41 41 CYS N N 41 115.097 124.281 -9.184 1
1 539 . 19 1 1 A 42 42 PHE H H 42 7.031 8.147 -1.116 1
1 540 . 19 1 1 A 42 42 PHE HA H 42 4.937 4.331 0.606 1
1 548 . 19 1 1 A 42 42 PHE C C 42 174.437 178.073 -3.636 1
1 549 . 19 1 1 A 42 42 PHE CA C 42 54.439 61.387 -6.948 1
1 550 . 19 1 1 A 42 42 PHE CB C 42 38.059 38.635 -0.576 1
1 556 . 19 1 1 A 42 42 PHE N N 42 117.304 118.945 -1.641 1
1 557 . 19 1 1 A 43 43 LYS H H 43 7.371 8.038 -0.667 1
1 558 . 19 1 1 A 43 43 LYS HA H 43 4.304 4.119 0.185 1
1 567 . 19 1 1 A 43 43 LYS C C 43 175.800 177.275 -1.475 1
1 568 . 19 1 1 A 43 43 LYS CA C 43 57.474 59.498 -2.024 1
1 569 . 19 1 1 A 43 43 LYS CB C 43 34.978 32.534 2.444 1
1 573 . 19 1 1 A 43 43 LYS N N 43 116.029 121.154 -5.125 1
1 574 . 19 1 1 A 44 44 LYS H H 44 7.593 7.831 -0.238 1
1 575 . 19 1 1 A 44 44 LYS HA H 44 4.302 4.218 0.084 1
1 584 . 19 1 1 A 44 44 LYS C C 44 173.608 175.720 -2.112 1
1 585 . 19 1 1 A 44 44 LYS CA C 44 55.169 55.279 -0.110 1
1 586 . 19 1 1 A 44 44 LYS CB C 44 33.123 31.428 1.695 1
1 590 . 19 1 1 A 44 44 LYS N N 44 119.851 119.364 0.487 1
1 591 . 19 1 1 A 45 45 ASP H H 45 8.774 8.268 0.506 1
1 592 . 19 1 1 A 45 45 ASP HA H 45 4.200 4.162 0.038 1
1 595 . 19 1 1 A 45 45 ASP C C 45 172.128 174.935 -2.807 1
1 596 . 19 1 1 A 45 45 ASP CA C 45 53.963 54.795 -0.832 1
1 597 . 19 1 1 A 45 45 ASP CB C 45 40.263 39.279 0.984 1
1 598 . 19 1 1 A 45 45 ASP N N 45 122.276 124.971 -2.695 1
1 599 . 19 1 1 A 46 46 PRO HA H 46 3.930 3.435 0.495 1
1 606 . 19 1 1 A 46 46 PRO C C 46 176.968 175.500 1.468 1
1 607 . 19 1 1 A 46 46 PRO CA C 46 62.964 62.438 0.526 1
1 608 . 19 1 1 A 46 46 PRO CB C 46 30.892 30.481 0.411 1
1 611 . 19 1 1 A 47 47 SER H H 47 8.018 8.320 -0.302 1
1 612 . 19 1 1 A 47 47 SER HA H 47 4.676 4.668 0.008 1
1 615 . 19 1 1 A 47 47 SER C C 47 175.465 174.366 1.099 1
1 616 . 19 1 1 A 47 47 SER CA C 47 57.014 57.862 -0.848 1
1 617 . 19 1 1 A 47 47 SER CB C 47 66.436 64.536 1.900 1
1 618 . 19 1 1 A 47 47 SER N N 47 112.273 119.800 -7.527 1
1 619 . 19 1 1 A 48 48 ILE H H 48 9.489 8.783 0.706 1
1 620 . 19 1 1 A 48 48 ILE HA H 48 4.013 3.989 0.024 1
1 630 . 19 1 1 A 48 48 ILE C C 48 177.681 177.466 0.215 1
1 631 . 19 1 1 A 48 48 ILE CA C 48 64.456 65.886 -1.430 1
1 632 . 19 1 1 A 48 48 ILE CB C 48 36.382 38.223 -1.841 1
1 636 . 19 1 1 A 48 48 ILE N N 48 126.826 127.288 -0.462 1
1 637 . 19 1 1 A 49 49 LYS H H 49 8.735 8.050 0.685 1
1 638 . 19 1 1 A 49 49 LYS HA H 49 3.984 4.112 -0.128 1
1 647 . 19 1 1 A 49 49 LYS C C 49 179.784 179.046 0.738 1
1 648 . 19 1 1 A 49 49 LYS CA C 49 60.562 59.536 1.026 1
1 649 . 19 1 1 A 49 49 LYS CB C 49 32.533 32.285 0.248 1
1 653 . 19 1 1 A 49 49 LYS N N 49 118.592 119.977 -1.385 1
1 654 . 19 1 1 A 50 50 SER H H 50 8.065 7.856 0.209 1
1 655 . 19 1 1 A 50 50 SER HA H 50 4.270 4.227 0.043 1
1 658 . 19 1 1 A 50 50 SER C C 50 178.135 177.481 0.654 1
1 659 . 19 1 1 A 50 50 SER CA C 50 61.431 61.710 -0.279 1
1 660 . 19 1 1 A 50 50 SER CB C 50 62.672 62.949 -0.277 1
1 661 . 19 1 1 A 50 50 SER N N 50 114.354 115.725 -1.371 1
1 662 . 19 1 1 A 51 51 SER H H 51 8.300 8.041 0.259 1
1 663 . 19 1 1 A 51 51 SER HA H 51 4.681 4.397 0.284 1
1 666 . 19 1 1 A 51 51 SER C C 51 176.245 176.092 0.153 1
1 667 . 19 1 1 A 51 51 SER CA C 51 63.327 62.638 0.689 1
1 668 . 19 1 1 A 51 51 SER CB C 51 64.340 63.628 0.712 1
1 669 . 19 1 1 A 51 51 SER N N 51 120.855 117.551 3.304 1
1 670 . 19 1 1 A 52 52 LEU H H 52 8.849 8.452 0.397 1
1 671 . 19 1 1 A 52 52 LEU HA H 52 3.902 4.016 -0.114 1
1 681 . 19 1 1 A 52 52 LEU C C 52 178.339 179.273 -0.934 1
1 682 . 19 1 1 A 52 52 LEU CA C 52 58.600 58.222 0.378 1
1 683 . 19 1 1 A 52 52 LEU CB C 52 41.685 41.682 0.003 1
1 687 . 19 1 1 A 52 52 LEU N N 52 122.627 121.061 1.566 1
1 688 . 19 1 1 A 53 53 LYS H H 53 7.268 8.395 -1.127 1
1 689 . 19 1 1 A 53 53 LYS HA H 53 3.957 3.963 -0.006 1
1 698 . 19 1 1 A 53 53 LYS C C 53 178.750 179.102 -0.352 1
1 699 . 19 1 1 A 53 53 LYS CA C 53 59.867 59.236 0.631 1
1 700 . 19 1 1 A 53 53 LYS CB C 53 32.475 32.064 0.411 1
1 704 . 19 1 1 A 53 53 LYS N N 53 117.100 120.371 -3.271 1
1 705 . 19 1 1 A 54 54 PHE H H 54 7.388 8.647 -1.259 1
1 706 . 19 1 1 A 54 54 PHE HA H 54 4.167 4.089 0.078 1
1 714 . 19 1 1 A 54 54 PHE C C 54 178.975 176.977 1.998 1
1 715 . 19 1 1 A 54 54 PHE CA C 54 61.515 61.144 0.371 1
1 716 . 19 1 1 A 54 54 PHE CB C 54 39.619 39.292 0.327 1
1 722 . 19 1 1 A 54 54 PHE N N 54 117.704 120.758 -3.054 1
1 723 . 19 1 1 A 55 55 LEU H H 55 9.142 8.584 0.558 1
1 724 . 19 1 1 A 55 55 LEU HA H 55 3.720 3.808 -0.088 1
1 734 . 19 1 1 A 55 55 LEU C C 55 178.763 179.219 -0.456 1
1 735 . 19 1 1 A 55 55 LEU CA C 55 57.656 57.460 0.196 1
1 736 . 19 1 1 A 55 55 LEU CB C 55 42.837 40.975 1.862 1
1 740 . 19 1 1 A 55 55 LEU N N 55 120.396 118.637 1.759 1
1 741 . 19 1 1 A 56 56 ARG H H 56 8.338 8.066 0.272 1
1 742 . 19 1 1 A 56 56 ARG HA H 56 3.855 3.927 -0.072 1
1 750 . 19 1 1 A 56 56 ARG C C 56 176.697 178.514 -1.817 1
1 751 . 19 1 1 A 56 56 ARG CA C 56 59.452 59.636 -0.184 1
1 752 . 19 1 1 A 56 56 ARG CB C 56 30.239 29.951 0.288 1
1 755 . 19 1 1 A 56 56 ARG N N 56 116.866 119.424 -2.558 1
1 757 . 19 1 1 A 57 57 LYS H H 57 6.770 7.316 -0.546 1
1 758 . 19 1 1 A 57 57 LYS HA H 57 4.542 4.173 0.369 1
1 767 . 19 1 1 A 57 57 LYS C C 57 176.148 177.055 -0.907 1
1 768 . 19 1 1 A 57 57 LYS CA C 57 55.545 57.972 -2.427 1
1 769 . 19 1 1 A 57 57 LYS CB C 57 33.805 33.291 0.514 1
1 773 . 19 1 1 A 57 57 LYS N N 57 113.205 117.210 -4.005 1
1 774 . 19 1 1 A 58 58 THR H H 58 6.908 7.534 -0.626 1
1 775 . 19 1 1 A 58 58 THR HA H 58 4.212 4.267 -0.055 1
1 780 . 19 1 1 A 58 58 THR C C 58 173.643 174.986 -1.343 1
1 781 . 19 1 1 A 58 58 THR CA C 58 60.688 61.140 -0.452 1
1 782 . 19 1 1 A 58 58 THR CB C 58 67.557 66.141 1.416 1
1 784 . 19 1 1 A 58 58 THR N N 58 117.915 113.776 4.139 1
1 785 . 19 1 1 A 59 59 ASP H H 59 8.789 8.226 0.563 1
1 786 . 19 1 1 A 59 59 ASP HA H 59 4.128 4.248 -0.120 1
1 789 . 19 1 1 A 59 59 ASP C C 59 178.565 178.662 -0.097 1
1 790 . 19 1 1 A 59 59 ASP CA C 59 58.506 56.916 1.590 1
1 791 . 19 1 1 A 59 59 ASP CB C 59 39.530 39.621 -0.091 1
1 792 . 19 1 1 A 59 59 ASP N N 59 128.511 124.460 4.051 1
1 793 . 19 1 1 A 60 60 TRP H H 60 8.638 8.228 0.410 1
1 794 . 19 1 1 A 60 60 TRP HA H 60 4.375 4.695 -0.320 1
1 803 . 19 1 1 A 60 60 TRP C C 60 178.277 178.762 -0.485 1
1 804 . 19 1 1 A 60 60 TRP CA C 60 59.183 60.162 -0.979 1
1 805 . 19 1 1 A 60 60 TRP CB C 60 26.962 28.113 -1.151 1
1 811 . 19 1 1 A 60 60 TRP N N 60 117.515 119.826 -2.311 1
1 813 . 19 1 1 A 61 61 ALA H H 61 5.533 7.511 -1.978 1
1 814 . 19 1 1 A 61 61 ALA HA H 61 3.414 3.732 -0.318 1
1 818 . 19 1 1 A 61 61 ALA C C 61 177.616 179.784 -2.168 1
1 819 . 19 1 1 A 61 61 ALA CA C 61 54.478 55.075 -0.597 1
1 820 . 19 1 1 A 61 61 ALA CB C 61 17.904 17.584 0.320 1
1 821 . 19 1 1 A 61 61 ALA N N 61 125.465 123.785 1.680 1
1 822 . 19 1 1 A 62 62 ARG H H 62 7.811 7.375 0.436 1
1 823 . 19 1 1 A 62 62 ARG HA H 62 3.617 4.044 -0.427 1
1 831 . 19 1 1 A 62 62 ARG C C 62 177.918 179.181 -1.263 1
1 832 . 19 1 1 A 62 62 ARG CA C 62 60.708 59.386 1.322 1
1 833 . 19 1 1 A 62 62 ARG CB C 62 29.156 29.707 -0.551 1
1 836 . 19 1 1 A 62 62 ARG N N 62 120.420 118.483 1.937 1
1 838 . 19 1 1 A 63 63 GLU H H 63 8.412 8.307 0.105 1
1 839 . 19 1 1 A 63 63 GLU HA H 63 4.041 4.133 -0.092 1
1 844 . 19 1 1 A 63 63 GLU C C 63 178.935 179.194 -0.259 1
1 845 . 19 1 1 A 63 63 GLU CA C 63 59.509 58.987 0.522 1
1 846 . 19 1 1 A 63 63 GLU CB C 63 28.759 29.346 -0.587 1
1 848 . 19 1 1 A 63 63 GLU N N 63 117.144 118.156 -1.012 1
1 849 . 19 1 1 A 64 64 ARG H H 64 7.603 7.595 0.008 1
1 850 . 19 1 1 A 64 64 ARG HA H 64 4.256 4.194 0.062 1
1 858 . 19 1 1 A 64 64 ARG C C 64 179.133 178.845 0.288 1
1 859 . 19 1 1 A 64 64 ARG CA C 64 59.340 58.761 0.579 1
1 860 . 19 1 1 A 64 64 ARG CB C 64 30.067 29.766 0.301 1
1 863 . 19 1 1 A 64 64 ARG N N 64 118.298 119.376 -1.078 1
1 865 . 19 1 1 A 65 65 VAL H H 65 8.065 8.271 -0.206 1
1 866 . 19 1 1 A 65 65 VAL HA H 65 3.713 3.457 0.256 1
1 874 . 19 1 1 A 65 65 VAL C C 65 177.638 177.935 -0.297 1
1 875 . 19 1 1 A 65 65 VAL CA C 65 66.891 66.612 0.279 1
1 876 . 19 1 1 A 65 65 VAL CB C 65 31.480 31.627 -0.147 1
1 879 . 19 1 1 A 65 65 VAL N N 65 117.270 120.243 -2.973 1
1 880 . 19 1 1 A 66 66 GLU H H 66 8.583 8.393 0.190 1
1 881 . 19 1 1 A 66 66 GLU HA H 66 3.912 4.049 -0.137 1
1 886 . 19 1 1 A 66 66 GLU C C 66 178.380 179.020 -0.640 1
1 887 . 19 1 1 A 66 66 GLU CA C 66 60.256 58.739 1.517 1
1 888 . 19 1 1 A 66 66 GLU CB C 66 28.691 28.144 0.547 1
1 890 . 19 1 1 A 66 66 GLU N N 66 119.924 119.799 0.125 1
1 891 . 19 1 1 A 67 67 ASN H H 67 8.267 8.115 0.152 1
1 892 . 19 1 1 A 67 67 ASN HA H 67 4.567 4.494 0.073 1
1 897 . 19 1 1 A 67 67 ASN C C 67 178.338 177.885 0.453 1
1 898 . 19 1 1 A 67 67 ASN CA C 67 56.900 57.078 -0.178 1
1 899 . 19 1 1 A 67 67 ASN CB C 67 38.802 39.355 -0.553 1
1 901 . 19 1 1 A 67 67 ASN N N 67 117.574 118.960 -1.386 1
1 903 . 19 1 1 A 68 68 ILE H H 68 8.132 7.482 0.650 1
1 904 . 19 1 1 A 68 68 ILE HA H 68 3.726 3.583 0.143 1
1 914 . 19 1 1 A 68 68 ILE C C 68 178.722 177.865 0.857 1
1 915 . 19 1 1 A 68 68 ILE CA C 68 65.388 65.358 0.030 1
1 916 . 19 1 1 A 68 68 ILE CB C 68 37.841 37.554 0.287 1
1 920 . 19 1 1 A 68 68 ILE N N 68 121.125 119.362 1.763 1
1 921 . 19 1 1 A 69 69 TYR H H 69 8.146 8.219 -0.073 1
1 922 . 19 1 1 A 69 69 TYR HA H 69 4.058 4.151 -0.093 1
1 929 . 19 1 1 A 69 69 TYR C C 69 177.061 177.305 -0.244 1
1 930 . 19 1 1 A 69 69 TYR CA C 69 62.828 61.588 1.240 1
1 931 . 19 1 1 A 69 69 TYR CB C 69 38.747 38.605 0.142 1
1 936 . 19 1 1 A 69 69 TYR N N 69 121.378 121.106 0.272 1
1 937 . 19 1 1 A 70 70 LEU H H 70 8.630 8.768 -0.138 1
1 938 . 19 1 1 A 70 70 LEU HA H 70 3.875 3.833 0.042 1
1 948 . 19 1 1 A 70 70 LEU C C 70 179.755 179.212 0.543 1
1 949 . 19 1 1 A 70 70 LEU CA C 70 58.230 58.095 0.135 1
1 950 . 19 1 1 A 70 70 LEU CB C 70 41.733 41.544 0.189 1
1 954 . 19 1 1 A 70 70 LEU N N 70 120.179 119.938 0.241 1
1 955 . 19 1 1 A 71 71 LYS H H 71 7.950 8.132 -0.182 1
1 956 . 19 1 1 A 71 71 LYS HA H 71 3.957 4.083 -0.126 1
1 965 . 19 1 1 A 71 71 LYS C C 71 178.961 179.168 -0.207 1
1 966 . 19 1 1 A 71 71 LYS CA C 71 59.684 60.012 -0.328 1
1 967 . 19 1 1 A 71 71 LYS CB C 71 32.421 32.682 -0.261 1
1 971 . 19 1 1 A 71 71 LYS N N 71 118.820 117.914 0.906 1
1 972 . 19 1 1 A 72 72 LEU H H 72 7.731 7.973 -0.242 1
1 973 . 19 1 1 A 72 72 LEU HA H 72 4.037 4.082 -0.045 1
1 983 . 19 1 1 A 72 72 LEU C C 72 178.533 178.593 -0.060 1
1 984 . 19 1 1 A 72 72 LEU CA C 72 57.352 58.004 -0.652 1
1 985 . 19 1 1 A 72 72 LEU CB C 72 41.406 41.701 -0.295 1
1 989 . 19 1 1 A 72 72 LEU N N 72 121.367 120.920 0.447 1
1 990 . 19 1 1 A 73 73 GLN H H 73 7.884 7.992 -0.108 1
1 991 . 19 1 1 A 73 73 GLN HA H 73 3.852 3.915 -0.063 1
1 998 . 19 1 1 A 73 73 GLN C C 73 177.679 178.409 -0.730 1
1 999 . 19 1 1 A 73 73 GLN CA C 73 57.026 58.885 -1.859 1
1 1000 . 19 1 1 A 73 73 GLN CB C 73 28.148 28.037 0.111 1
1 1003 . 19 1 1 A 73 73 GLN N N 73 116.639 118.125 -1.486 1
1 1005 . 19 1 1 A 74 74 ARG H H 74 7.725 8.149 -0.424 1
1 1006 . 19 1 1 A 74 74 ARG HA H 74 4.136 4.129 0.007 1
1 1013 . 19 1 1 A 74 74 ARG C C 74 177.235 176.888 0.347 1
1 1014 . 19 1 1 A 74 74 ARG CA C 74 57.452 57.879 -0.427 1
1 1015 . 19 1 1 A 74 74 ARG CB C 74 30.308 29.493 0.815 1
1 1018 . 19 1 1 A 74 74 ARG N N 74 118.122 118.044 0.078 1
1 1019 . 19 1 1 A 75 75 HIS H H 75 7.982 8.007 -0.025 1
1 1020 . 19 1 1 A 75 75 HIS HA H 75 4.564 4.573 -0.009 1
1 1023 . 19 1 1 A 75 75 HIS C C 75 175.202 175.080 0.122 1
1 1024 . 19 1 1 A 75 75 HIS CA C 75 56.587 55.743 0.844 1
1 1025 . 19 1 1 A 75 75 HIS CB C 75 28.477 29.520 -1.043 1
1 1026 . 19 1 1 A 75 75 HIS N N 75 117.995 116.780 1.215 1
1 1027 . 19 1 1 A 76 76 LYS H H 76 8.180 7.279 0.901 1
1 1028 . 19 1 1 A 76 76 LYS HA H 76 4.148 4.171 -0.023 1
1 1037 . 19 1 1 A 76 76 LYS C C 76 177.303 174.608 2.695 1
1 1038 . 19 1 1 A 76 76 LYS CA C 76 57.550 55.303 2.247 1
1 1039 . 19 1 1 A 76 76 LYS CB C 76 32.789 31.089 1.700 1
1 1043 . 19 1 1 A 76 76 LYS N N 76 121.510 121.639 -0.129 1
1 1044 . 19 1 1 A 77 77 GLU H H 77 8.321 8.508 -0.187 1
1 1045 . 19 1 1 A 77 77 GLU HA H 77 4.224 4.481 -0.257 1
1 1050 . 19 1 1 A 77 77 GLU C C 77 177.067 177.560 -0.493 1
1 1051 . 19 1 1 A 77 77 GLU CA C 77 56.991 55.381 1.610 1
1 1052 . 19 1 1 A 77 77 GLU CB C 77 29.841 27.985 1.856 1
1 1054 . 19 1 1 A 77 77 GLU N N 77 120.860 125.912 -5.052 1
1 1055 . 19 1 1 A 78 78 ARG H H 78 8.228 8.328 -0.100 1
1 1056 . 19 1 1 A 78 78 ARG HA H 78 4.240 4.051 0.189 1
1 1063 . 19 1 1 A 78 78 ARG C C 78 176.577 176.578 -0.001 1
1 1064 . 19 1 1 A 78 78 ARG CA C 78 56.786 58.994 -2.208 1
1 1065 . 19 1 1 A 78 78 ARG CB C 78 30.413 30.097 0.316 1
1 1068 . 19 1 1 A 78 78 ARG N N 78 121.081 123.600 -2.519 1
1 1069 . 19 1 1 A 79 79 ASN H H 79 8.333 7.817 0.516 1
1 1070 . 19 1 1 A 79 79 ASN HA H 79 4.617 4.770 -0.153 1
1 1075 . 19 1 1 A 79 79 ASN C C 79 175.605 175.897 -0.292 1
1 1076 . 19 1 1 A 79 79 ASN CA C 79 53.938 51.458 2.480 1
1 1077 . 19 1 1 A 79 79 ASN CB C 79 38.748 39.367 -0.619 1
1 1079 . 19 1 1 A 79 79 ASN N N 79 118.880 117.079 1.801 1
1 1081 . 19 1 1 A 80 80 GLN H H 80 8.285 8.562 -0.277 1
1 1082 . 19 1 1 A 80 80 GLN HA H 80 4.253 4.661 -0.408 1
1 1089 . 19 1 1 A 80 80 GLN C C 80 176.304 174.971 1.333 1
1 1090 . 19 1 1 A 80 80 GLN CA C 80 56.545 55.153 1.392 1
1 1091 . 19 1 1 A 80 80 GLN CB C 80 29.274 29.613 -0.339 1
1 1094 . 19 1 1 A 80 80 GLN N N 80 120.222 117.197 3.025 1
1 1096 . 19 1 1 A 81 81 LEU H H 81 8.130 7.512 0.618 1
1 1097 . 19 1 1 A 81 81 LEU HA H 81 4.222 4.548 -0.326 1
1 1107 . 19 1 1 A 81 81 LEU C C 81 177.542 174.190 3.352 1
1 1108 . 19 1 1 A 81 81 LEU CA C 81 55.736 53.830 1.906 1
1 1109 . 19 1 1 A 81 81 LEU CB C 81 42.196 44.281 -2.085 1
1 1113 . 19 1 1 A 81 81 LEU N N 81 122.119 117.096 5.023 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.081 4.776 -0.695 1
1 5 . 20 1 1 A 2 2 ALA C C 2 173.423 175.768 -2.345 1
1 6 . 20 1 1 A 2 2 ALA CA C 2 51.798 50.882 0.916 1
1 7 . 20 1 1 A 2 2 ALA CB C 2 19.502 21.429 -1.927 1
1 8 . 20 1 1 A 3 3 LEU H H 3 8.547 9.228 -0.681 1
1 9 . 20 1 1 A 3 3 LEU HA H 3 4.394 4.861 -0.467 1
1 19 . 20 1 1 A 3 3 LEU C C 3 176.779 175.650 1.129 1
1 20 . 20 1 1 A 3 3 LEU CA C 3 55.226 54.007 1.219 1
1 21 . 20 1 1 A 3 3 LEU CB C 3 42.472 41.564 0.908 1
1 25 . 20 1 1 A 3 3 LEU N N 3 122.089 124.246 -2.157 1
1 26 . 20 1 1 A 4 4 ILE H H 4 8.319 8.975 -0.656 1
1 27 . 20 1 1 A 4 4 ILE HA H 4 4.167 4.858 -0.691 1
1 37 . 20 1 1 A 4 4 ILE C C 4 176.138 174.573 1.565 1
1 38 . 20 1 1 A 4 4 ILE CA C 4 60.894 59.887 1.007 1
1 39 . 20 1 1 A 4 4 ILE CB C 4 38.595 39.941 -1.346 1
1 43 . 20 1 1 A 4 4 ILE N N 4 123.468 125.656 -2.188 1
1 44 . 20 1 1 A 5 5 MET H H 5 8.574 9.019 -0.445 1
1 45 . 20 1 1 A 5 5 MET HA H 5 4.584 5.037 -0.453 1
1 50 . 20 1 1 A 5 5 MET C C 5 176.274 174.567 1.707 1
1 51 . 20 1 1 A 5 5 MET CA C 5 55.348 54.015 1.333 1
1 52 . 20 1 1 A 5 5 MET CB C 5 32.961 35.286 -2.325 1
1 54 . 20 1 1 A 5 5 MET N N 5 125.527 128.447 -2.920 1
1 55 . 20 1 1 A 6 6 THR H H 6 8.172 8.809 -0.637 1
1 56 . 20 1 1 A 6 6 THR HA H 6 4.331 4.882 -0.551 1
1 61 . 20 1 1 A 6 6 THR C C 6 174.578 173.503 1.075 1
1 62 . 20 1 1 A 6 6 THR CA C 6 61.849 61.697 0.152 1
1 63 . 20 1 1 A 6 6 THR CB C 6 69.904 69.232 0.672 1
1 65 . 20 1 1 A 6 6 THR N N 6 115.487 121.410 -5.923 1
1 66 . 20 1 1 A 7 7 GLN H H 7 8.461 8.379 0.082 1
1 67 . 20 1 1 A 7 7 GLN HA H 7 4.317 4.500 -0.183 1
1 74 . 20 1 1 A 7 7 GLN C C 7 176.108 175.379 0.729 1
1 75 . 20 1 1 A 7 7 GLN CA C 7 56.149 55.736 0.413 1
1 76 . 20 1 1 A 7 7 GLN CB C 7 29.491 30.522 -1.031 1
1 79 . 20 1 1 A 7 7 GLN N N 7 122.199 126.955 -4.756 1
1 81 . 20 1 1 A 8 8 GLN H H 8 8.418 8.457 -0.039 1
1 82 . 20 1 1 A 8 8 GLN HA H 8 4.219 4.370 -0.151 1
1 89 . 20 1 1 A 8 8 GLN C C 8 175.704 175.661 0.043 1
1 90 . 20 1 1 A 8 8 GLN CA C 8 56.112 57.005 -0.893 1
1 91 . 20 1 1 A 8 8 GLN CB C 8 29.435 28.872 0.563 1
1 94 . 20 1 1 A 8 8 GLN N N 8 121.100 124.159 -3.059 1
1 96 . 20 1 1 A 9 9 ASN H H 9 8.404 7.889 0.515 1
1 97 . 20 1 1 A 9 9 ASN HA H 9 4.654 5.283 -0.629 1
1 102 . 20 1 1 A 9 9 ASN C C 9 174.445 173.617 0.828 1
1 103 . 20 1 1 A 9 9 ASN CA C 9 53.190 51.279 1.911 1
1 104 . 20 1 1 A 9 9 ASN CB C 9 38.913 41.700 -2.787 1
1 106 . 20 1 1 A 9 9 ASN N N 9 119.104 116.772 2.332 1
1 108 . 20 1 1 A 10 10 ASN H H 10 8.306 8.915 -0.609 1
1 109 . 20 1 1 A 10 10 ASN HA H 10 4.964 5.378 -0.414 1
1 114 . 20 1 1 A 10 10 ASN C C 10 174.315 174.330 -0.015 1
1 115 . 20 1 1 A 10 10 ASN CA C 10 51.318 49.874 1.444 1
1 116 . 20 1 1 A 10 10 ASN CB C 10 38.992 38.817 0.175 1
1 118 . 20 1 1 A 10 10 ASN N N 10 119.847 122.137 -2.290 1
1 120 . 20 1 1 A 11 11 PRO HA H 11 4.427 4.577 -0.150 1
1 127 . 20 1 1 A 11 11 PRO C C 11 177.095 175.634 1.461 1
1 128 . 20 1 1 A 11 11 PRO CA C 11 64.214 63.950 0.264 1
1 129 . 20 1 1 A 11 11 PRO CB C 11 32.355 32.263 0.092 1
1 132 . 20 1 1 A 12 12 LEU H H 12 8.102 7.350 0.752 1
1 133 . 20 1 1 A 12 12 LEU HA H 12 4.320 4.803 -0.483 1
1 143 . 20 1 1 A 12 12 LEU C C 12 177.341 175.063 2.278 1
1 144 . 20 1 1 A 12 12 LEU CA C 12 54.883 52.985 1.898 1
1 145 . 20 1 1 A 12 12 LEU CB C 12 41.300 44.861 -3.561 1
1 149 . 20 1 1 A 12 12 LEU N N 12 117.525 112.925 4.600 1
1 150 . 20 1 1 A 13 13 HIS H H 13 8.004 9.161 -1.157 1
1 151 . 20 1 1 A 13 13 HIS HA H 13 4.453 4.733 -0.280 1
1 154 . 20 1 1 A 13 13 HIS C C 13 175.375 174.525 0.850 1
1 155 . 20 1 1 A 13 13 HIS CA C 13 56.796 54.105 2.691 1
1 156 . 20 1 1 A 13 13 HIS CB C 13 28.248 28.250 -0.002 1
1 157 . 20 1 1 A 13 13 HIS N N 13 117.833 123.200 -5.367 1
1 158 . 20 1 1 A 14 14 GLY H H 14 8.530 8.306 0.224 1
1 159 . 20 1 1 A 14 14 GLY HA2 H 14 3.930 3.770 0.160 1
1 160 . 20 1 1 A 14 14 GLY HA3 H 14 3.755 3.795 -0.040 1
1 161 . 20 1 1 A 14 14 GLY C C 14 173.536 173.552 -0.016 1
1 162 . 20 1 1 A 14 14 GLY CA C 14 45.529 47.157 -1.628 1
1 163 . 20 1 1 A 14 14 GLY N N 14 110.385 111.817 -1.432 1
1 164 . 20 1 1 A 15 15 ILE H H 15 7.563 8.255 -0.692 1
1 165 . 20 1 1 A 15 15 ILE HA H 15 4.392 4.282 0.110 1
1 175 . 20 1 1 A 15 15 ILE C C 15 174.878 175.803 -0.925 1
1 176 . 20 1 1 A 15 15 ILE CA C 15 60.102 60.609 -0.507 1
1 177 . 20 1 1 A 15 15 ILE CB C 15 39.383 37.453 1.930 1
1 181 . 20 1 1 A 15 15 ILE N N 15 120.363 122.304 -1.941 1
1 182 . 20 1 1 A 16 16 THR H H 16 7.643 8.758 -1.115 1
1 183 . 20 1 1 A 16 16 THR HA H 16 4.381 4.716 -0.335 1
1 188 . 20 1 1 A 16 16 THR C C 16 174.950 175.581 -0.631 1
1 189 . 20 1 1 A 16 16 THR CA C 16 60.355 60.201 0.154 1
1 190 . 20 1 1 A 16 16 THR CB C 16 70.834 71.317 -0.483 1
1 192 . 20 1 1 A 16 16 THR N N 16 115.980 120.588 -4.608 1
1 193 . 20 1 1 A 17 17 LEU H H 17 8.712 8.864 -0.152 1
1 194 . 20 1 1 A 17 17 LEU HA H 17 4.029 3.998 0.031 1
1 204 . 20 1 1 A 17 17 LEU C C 17 178.125 177.884 0.241 1
1 205 . 20 1 1 A 17 17 LEU CA C 17 57.582 58.453 -0.871 1
1 206 . 20 1 1 A 17 17 LEU CB C 17 40.906 41.314 -0.408 1
1 210 . 20 1 1 A 17 17 LEU N N 17 123.337 123.541 -0.204 1
1 211 . 20 1 1 A 18 18 GLN H H 18 8.611 8.318 0.293 1
1 212 . 20 1 1 A 18 18 GLN HA H 18 3.774 4.002 -0.228 1
1 219 . 20 1 1 A 18 18 GLN C C 18 178.211 178.170 0.041 1
1 220 . 20 1 1 A 18 18 GLN CA C 18 60.388 59.034 1.354 1
1 221 . 20 1 1 A 18 18 GLN CB C 18 27.809 29.165 -1.356 1
1 224 . 20 1 1 A 18 18 GLN N N 18 116.423 118.596 -2.173 1
1 226 . 20 1 1 A 19 19 LYS H H 19 7.861 7.786 0.075 1
1 227 . 20 1 1 A 19 19 LYS HA H 19 3.957 4.069 -0.112 1
1 236 . 20 1 1 A 19 19 LYS C C 19 177.806 178.645 -0.839 1
1 237 . 20 1 1 A 19 19 LYS CA C 19 59.684 59.102 0.582 1
1 238 . 20 1 1 A 19 19 LYS CB C 19 32.300 32.049 0.251 1
1 242 . 20 1 1 A 19 19 LYS N N 19 123.583 119.532 4.051 1
1 243 . 20 1 1 A 20 20 LEU H H 20 8.223 8.172 0.051 1
1 244 . 20 1 1 A 20 20 LEU HA H 20 3.418 3.657 -0.239 1
1 254 . 20 1 1 A 20 20 LEU C C 20 178.417 178.196 0.221 1
1 255 . 20 1 1 A 20 20 LEU CA C 20 59.301 58.062 1.239 1
1 256 . 20 1 1 A 20 20 LEU CB C 20 41.370 41.422 -0.052 1
1 260 . 20 1 1 A 20 20 LEU N N 20 121.397 120.893 0.504 1
1 261 . 20 1 1 A 21 21 LEU H H 21 8.649 8.310 0.339 1
1 262 . 20 1 1 A 21 21 LEU HA H 21 3.872 3.880 -0.008 1
1 272 . 20 1 1 A 21 21 LEU C C 21 178.009 178.589 -0.580 1
1 273 . 20 1 1 A 21 21 LEU CA C 21 58.027 58.025 0.002 1
1 274 . 20 1 1 A 21 21 LEU CB C 21 42.279 41.467 0.812 1
1 278 . 20 1 1 A 21 21 LEU N N 21 118.999 119.695 -0.696 1
1 279 . 20 1 1 A 22 22 THR H H 22 8.025 8.164 -0.139 1
1 280 . 20 1 1 A 22 22 THR HA H 22 3.592 3.771 -0.179 1
1 285 . 20 1 1 A 22 22 THR C C 22 176.358 176.015 0.343 1
1 286 . 20 1 1 A 22 22 THR CA C 22 67.879 66.919 0.960 1
1 287 . 20 1 1 A 22 22 THR CB C 22 68.717 68.687 0.030 1
1 289 . 20 1 1 A 22 22 THR N N 22 115.015 114.945 0.070 1
1 290 . 20 1 1 A 23 23 GLU H H 23 8.158 8.331 -0.173 1
1 291 . 20 1 1 A 23 23 GLU HA H 23 4.068 4.051 0.017 1
1 296 . 20 1 1 A 23 23 GLU C C 23 180.091 179.750 0.341 1
1 297 . 20 1 1 A 23 23 GLU CA C 23 59.845 59.278 0.567 1
1 298 . 20 1 1 A 23 23 GLU CB C 23 29.101 29.422 -0.321 1
1 300 . 20 1 1 A 23 23 GLU N N 23 120.691 119.468 1.223 1
1 301 . 20 1 1 A 24 24 LEU H H 24 8.121 7.976 0.145 1
1 302 . 20 1 1 A 24 24 LEU HA H 24 4.140 4.231 -0.091 1
1 312 . 20 1 1 A 24 24 LEU C C 24 179.047 178.874 0.173 1
1 313 . 20 1 1 A 24 24 LEU CA C 24 58.438 58.099 0.339 1
1 314 . 20 1 1 A 24 24 LEU CB C 24 42.715 41.836 0.879 1
1 318 . 20 1 1 A 24 24 LEU N N 24 119.210 120.881 -1.671 1
1 319 . 20 1 1 A 25 25 VAL H H 25 8.577 8.122 0.455 1
1 320 . 20 1 1 A 25 25 VAL HA H 25 2.698 3.193 -0.495 1
1 328 . 20 1 1 A 25 25 VAL C C 25 179.143 177.380 1.763 1
1 329 . 20 1 1 A 25 25 VAL CA C 25 67.077 66.651 0.426 1
1 330 . 20 1 1 A 25 25 VAL CB C 25 31.127 30.933 0.194 1
1 333 . 20 1 1 A 25 25 VAL N N 25 122.036 119.368 2.668 1
1 334 . 20 1 1 A 26 26 GLU H H 26 8.216 8.098 0.118 1
1 335 . 20 1 1 A 26 26 GLU HA H 26 3.858 4.049 -0.191 1
1 340 . 20 1 1 A 26 26 GLU C C 26 177.409 178.482 -1.073 1
1 341 . 20 1 1 A 26 26 GLU CA C 26 59.105 59.003 0.102 1
1 342 . 20 1 1 A 26 26 GLU CB C 26 29.025 29.496 -0.471 1
1 344 . 20 1 1 A 26 26 GLU N N 26 119.262 119.019 0.243 1
1 345 . 20 1 1 A 27 27 HIS H H 27 7.815 8.070 -0.255 1
1 346 . 20 1 1 A 27 27 HIS HA H 27 4.183 4.169 0.014 1
1 349 . 20 1 1 A 27 27 HIS C C 27 175.618 175.883 -0.265 1
1 350 . 20 1 1 A 27 27 HIS CA C 27 58.932 58.730 0.202 1
1 351 . 20 1 1 A 27 27 HIS CB C 27 29.358 29.958 -0.600 1
1 352 . 20 1 1 A 27 27 HIS N N 27 114.100 121.616 -7.516 1
1 353 . 20 1 1 A 28 28 TYR H H 28 8.628 8.139 0.489 1
1 354 . 20 1 1 A 28 28 TYR HA H 28 4.424 4.525 -0.101 1
1 361 . 20 1 1 A 28 28 TYR C C 28 177.445 176.367 1.078 1
1 362 . 20 1 1 A 28 28 TYR CA C 28 60.294 59.501 0.793 1
1 363 . 20 1 1 A 28 28 TYR CB C 28 40.851 40.139 0.712 1
1 368 . 20 1 1 A 28 28 TYR N N 28 113.706 115.044 -1.338 1
1 369 . 20 1 1 A 29 29 GLY H H 29 7.713 7.180 0.533 1
1 370 . 20 1 1 A 29 29 GLY HA2 H 29 4.366 4.004 0.362 1
1 371 . 20 1 1 A 29 29 GLY HA3 H 29 3.846 4.133 -0.287 1
1 372 . 20 1 1 A 29 29 GLY C C 29 172.549 175.052 -2.503 1
1 373 . 20 1 1 A 29 29 GLY CA C 29 44.258 44.483 -0.225 1
1 374 . 20 1 1 A 29 29 GLY N N 29 107.840 104.393 3.447 1
1 375 . 20 1 1 A 30 30 TRP H H 30 7.960 8.921 -0.961 1
1 376 . 20 1 1 A 30 30 TRP HA H 30 4.136 4.282 -0.146 1
1 385 . 20 1 1 A 30 30 TRP C C 30 178.090 178.833 -0.743 1
1 386 . 20 1 1 A 30 30 TRP CA C 30 60.502 59.580 0.922 1
1 387 . 20 1 1 A 30 30 TRP CB C 30 30.304 29.189 1.115 1
1 393 . 20 1 1 A 30 30 TRP N N 30 118.175 122.279 -4.104 1
1 395 . 20 1 1 A 31 31 GLU H H 31 8.549 8.759 -0.210 1
1 396 . 20 1 1 A 31 31 GLU HA H 31 3.992 4.192 -0.200 1
1 401 . 20 1 1 A 31 31 GLU C C 31 179.942 179.721 0.221 1
1 402 . 20 1 1 A 31 31 GLU CA C 31 60.090 60.601 -0.511 1
1 403 . 20 1 1 A 31 31 GLU CB C 31 28.474 29.101 -0.627 1
1 405 . 20 1 1 A 31 31 GLU N N 31 118.099 119.734 -1.635 1
1 406 . 20 1 1 A 32 32 GLU H H 32 8.962 8.176 0.786 1
1 407 . 20 1 1 A 32 32 GLU HA H 32 4.137 4.228 -0.091 1
1 412 . 20 1 1 A 32 32 GLU C C 32 179.651 179.288 0.363 1
1 413 . 20 1 1 A 32 32 GLU CA C 32 58.745 58.931 -0.186 1
1 414 . 20 1 1 A 32 32 GLU CB C 32 28.145 30.169 -2.024 1
1 416 . 20 1 1 A 32 32 GLU N N 32 120.094 120.937 -0.843 1
1 417 . 20 1 1 A 33 33 LEU H H 33 7.748 8.169 -0.421 1
1 418 . 20 1 1 A 33 33 LEU HA H 33 3.922 3.827 0.095 1
1 428 . 20 1 1 A 33 33 LEU C C 33 178.833 179.378 -0.545 1
1 429 . 20 1 1 A 33 33 LEU CA C 33 58.577 57.733 0.844 1
1 430 . 20 1 1 A 33 33 LEU CB C 33 41.269 41.187 0.082 1
1 434 . 20 1 1 A 33 33 LEU N N 33 118.890 120.884 -1.994 1
1 435 . 20 1 1 A 34 34 SER H H 34 8.607 8.314 0.293 1
1 436 . 20 1 1 A 34 34 SER HA H 34 4.642 4.572 0.070 1
1 439 . 20 1 1 A 34 34 SER C C 34 175.346 176.438 -1.092 1
1 440 . 20 1 1 A 34 34 SER CA C 34 61.247 61.300 -0.053 1
1 441 . 20 1 1 A 34 34 SER CB C 34 63.043 63.326 -0.283 1
1 442 . 20 1 1 A 34 34 SER N N 34 114.464 113.322 1.142 1
1 443 . 20 1 1 A 35 35 TYR H H 35 7.395 7.996 -0.601 1
1 444 . 20 1 1 A 35 35 TYR HA H 35 4.537 4.238 0.299 1
1 451 . 20 1 1 A 35 35 TYR C C 35 177.940 177.746 0.194 1
1 452 . 20 1 1 A 35 35 TYR CA C 35 58.907 60.331 -1.424 1
1 453 . 20 1 1 A 35 35 TYR CB C 35 37.852 38.748 -0.896 1
1 458 . 20 1 1 A 35 35 TYR N N 35 120.804 123.698 -2.894 1
1 459 . 20 1 1 A 36 36 MET H H 36 7.840 7.766 0.074 1
1 460 . 20 1 1 A 36 36 MET HA H 36 4.158 4.327 -0.169 1
1 468 . 20 1 1 A 36 36 MET C C 36 177.049 176.851 0.198 1
1 469 . 20 1 1 A 36 36 MET CA C 36 58.684 58.336 0.348 1
1 470 . 20 1 1 A 36 36 MET CB C 36 34.927 33.413 1.514 1
1 473 . 20 1 1 A 36 36 MET N N 36 118.425 117.549 0.876 1
1 474 . 20 1 1 A 37 37 VAL H H 37 8.469 8.092 0.377 1
1 475 . 20 1 1 A 37 37 VAL HA H 37 4.265 4.253 0.012 1
1 483 . 20 1 1 A 37 37 VAL C C 37 173.959 175.749 -1.790 1
1 484 . 20 1 1 A 37 37 VAL CA C 37 61.621 62.300 -0.679 1
1 485 . 20 1 1 A 37 37 VAL CB C 37 32.527 32.607 -0.080 1
1 488 . 20 1 1 A 37 37 VAL N N 37 117.997 118.793 -0.796 1
1 489 . 20 1 1 A 38 38 ASN H H 38 8.677 8.856 -0.179 1
1 490 . 20 1 1 A 38 38 ASN HA H 38 4.948 4.758 0.190 1
1 495 . 20 1 1 A 38 38 ASN C C 38 174.710 175.549 -0.839 1
1 496 . 20 1 1 A 38 38 ASN CA C 38 53.444 55.243 -1.799 1
1 497 . 20 1 1 A 38 38 ASN CB C 38 37.001 39.659 -2.658 1
1 499 . 20 1 1 A 38 38 ASN N N 38 123.121 121.730 1.391 1
1 501 . 20 1 1 A 39 39 ILE H H 39 7.744 7.697 0.047 1
1 502 . 20 1 1 A 39 39 ILE HA H 39 4.655 4.408 0.247 1
1 512 . 20 1 1 A 39 39 ILE C C 39 176.996 175.483 1.513 1
1 513 . 20 1 1 A 39 39 ILE CA C 39 59.201 60.046 -0.845 1
1 514 . 20 1 1 A 39 39 ILE CB C 39 40.558 38.953 1.605 1
1 518 . 20 1 1 A 39 39 ILE N N 39 115.722 116.603 -0.881 1
1 519 . 20 1 1 A 40 40 ASN H H 40 8.881 9.215 -0.334 1
1 520 . 20 1 1 A 40 40 ASN HA H 40 4.192 4.815 -0.623 1
1 525 . 20 1 1 A 40 40 ASN C C 40 177.705 176.655 1.050 1
1 526 . 20 1 1 A 40 40 ASN CA C 40 56.883 53.438 3.445 1
1 527 . 20 1 1 A 40 40 ASN CB C 40 38.313 38.404 -0.091 1
1 529 . 20 1 1 A 40 40 ASN N N 40 124.600 121.462 3.138 1
1 531 . 20 1 1 A 41 41 CYS H H 41 8.034 7.851 0.183 1
1 532 . 20 1 1 A 41 41 CYS HA H 41 4.373 3.966 0.407 1
1 535 . 20 1 1 A 41 41 CYS C C 41 174.303 176.427 -2.124 1
1 536 . 20 1 1 A 41 41 CYS CA C 41 59.164 61.696 -2.532 1
1 537 . 20 1 1 A 41 41 CYS CB C 41 26.126 26.838 -0.712 1
1 538 . 20 1 1 A 41 41 CYS N N 41 115.097 118.269 -3.172 1
1 539 . 20 1 1 A 42 42 PHE H H 42 7.031 7.596 -0.565 1
1 540 . 20 1 1 A 42 42 PHE HA H 42 4.937 4.447 0.490 1
1 548 . 20 1 1 A 42 42 PHE C C 42 174.437 178.225 -3.788 1
1 549 . 20 1 1 A 42 42 PHE CA C 42 54.439 61.581 -7.142 1
1 550 . 20 1 1 A 42 42 PHE CB C 42 38.059 38.561 -0.502 1
1 556 . 20 1 1 A 42 42 PHE N N 42 117.304 118.323 -1.019 1
1 557 . 20 1 1 A 43 43 LYS H H 43 7.371 8.097 -0.726 1
1 558 . 20 1 1 A 43 43 LYS HA H 43 4.304 4.238 0.066 1
1 567 . 20 1 1 A 43 43 LYS C C 43 175.800 176.058 -0.258 1
1 568 . 20 1 1 A 43 43 LYS CA C 43 57.474 58.186 -0.712 1
1 569 . 20 1 1 A 43 43 LYS CB C 43 34.978 33.587 1.391 1
1 573 . 20 1 1 A 43 43 LYS N N 43 116.029 120.539 -4.510 1
1 574 . 20 1 1 A 44 44 LYS H H 44 7.593 7.939 -0.346 1
1 575 . 20 1 1 A 44 44 LYS HA H 44 4.302 4.619 -0.317 1
1 584 . 20 1 1 A 44 44 LYS C C 44 173.608 175.570 -1.962 1
1 585 . 20 1 1 A 44 44 LYS CA C 44 55.169 54.972 0.197 1
1 586 . 20 1 1 A 44 44 LYS CB C 44 33.123 35.142 -2.019 1
1 590 . 20 1 1 A 44 44 LYS N N 44 119.851 119.048 0.803 1
1 591 . 20 1 1 A 45 45 ASP H H 45 8.774 8.937 -0.163 1
1 592 . 20 1 1 A 45 45 ASP HA H 45 4.200 4.153 0.047 1
1 595 . 20 1 1 A 45 45 ASP C C 45 172.128 174.724 -2.596 1
1 596 . 20 1 1 A 45 45 ASP CA C 45 53.963 54.776 -0.813 1
1 597 . 20 1 1 A 45 45 ASP CB C 45 40.263 39.416 0.847 1
1 598 . 20 1 1 A 45 45 ASP N N 45 122.276 125.860 -3.584 1
1 599 . 20 1 1 A 46 46 PRO HA H 46 3.930 4.652 -0.722 1
1 606 . 20 1 1 A 46 46 PRO C C 46 176.968 175.054 1.914 1
1 607 . 20 1 1 A 46 46 PRO CA C 46 62.964 61.847 1.117 1
1 608 . 20 1 1 A 46 46 PRO CB C 46 30.892 31.653 -0.761 1
1 611 . 20 1 1 A 47 47 SER H H 47 8.018 8.355 -0.337 1
1 612 . 20 1 1 A 47 47 SER HA H 47 4.676 4.879 -0.203 1
1 615 . 20 1 1 A 47 47 SER C C 47 175.465 174.021 1.444 1
1 616 . 20 1 1 A 47 47 SER CA C 47 57.014 57.063 -0.049 1
1 617 . 20 1 1 A 47 47 SER CB C 47 66.436 64.558 1.878 1
1 618 . 20 1 1 A 47 47 SER N N 47 112.273 115.351 -3.078 1
1 619 . 20 1 1 A 48 48 ILE H H 48 9.489 9.011 0.478 1
1 620 . 20 1 1 A 48 48 ILE HA H 48 4.013 4.056 -0.043 1
1 630 . 20 1 1 A 48 48 ILE C C 48 177.681 177.524 0.157 1
1 631 . 20 1 1 A 48 48 ILE CA C 48 64.456 65.860 -1.404 1
1 632 . 20 1 1 A 48 48 ILE CB C 48 36.382 37.955 -1.573 1
1 636 . 20 1 1 A 48 48 ILE N N 48 126.826 127.979 -1.153 1
1 637 . 20 1 1 A 49 49 LYS H H 49 8.735 7.616 1.119 1
1 638 . 20 1 1 A 49 49 LYS HA H 49 3.984 4.126 -0.142 1
1 647 . 20 1 1 A 49 49 LYS C C 49 179.784 179.968 -0.184 1
1 648 . 20 1 1 A 49 49 LYS CA C 49 60.562 59.518 1.044 1
1 649 . 20 1 1 A 49 49 LYS CB C 49 32.533 32.251 0.282 1
1 653 . 20 1 1 A 49 49 LYS N N 49 118.592 119.930 -1.338 1
1 654 . 20 1 1 A 50 50 SER H H 50 8.065 7.556 0.509 1
1 655 . 20 1 1 A 50 50 SER HA H 50 4.270 4.188 0.082 1
1 658 . 20 1 1 A 50 50 SER C C 50 178.135 176.884 1.251 1
1 659 . 20 1 1 A 50 50 SER CA C 50 61.431 61.294 0.137 1
1 660 . 20 1 1 A 50 50 SER CB C 50 62.672 63.121 -0.449 1
1 661 . 20 1 1 A 50 50 SER N N 50 114.354 115.640 -1.286 1
1 662 . 20 1 1 A 51 51 SER H H 51 8.300 8.370 -0.070 1
1 663 . 20 1 1 A 51 51 SER HA H 51 4.681 4.208 0.473 1
1 666 . 20 1 1 A 51 51 SER C C 51 176.245 176.507 -0.262 1
1 667 . 20 1 1 A 51 51 SER CA C 51 63.327 61.450 1.877 1
1 668 . 20 1 1 A 51 51 SER CB C 51 64.340 62.997 1.343 1
1 669 . 20 1 1 A 51 51 SER N N 51 120.855 116.490 4.365 1
1 670 . 20 1 1 A 52 52 LEU H H 52 8.849 8.336 0.513 1
1 671 . 20 1 1 A 52 52 LEU HA H 52 3.902 3.961 -0.059 1
1 681 . 20 1 1 A 52 52 LEU C C 52 178.339 179.356 -1.017 1
1 682 . 20 1 1 A 52 52 LEU CA C 52 58.600 58.127 0.473 1
1 683 . 20 1 1 A 52 52 LEU CB C 52 41.685 41.466 0.219 1
1 687 . 20 1 1 A 52 52 LEU N N 52 122.627 122.798 -0.171 1
1 688 . 20 1 1 A 53 53 LYS H H 53 7.268 8.203 -0.935 1
1 689 . 20 1 1 A 53 53 LYS HA H 53 3.957 4.114 -0.157 1
1 698 . 20 1 1 A 53 53 LYS C C 53 178.750 178.593 0.157 1
1 699 . 20 1 1 A 53 53 LYS CA C 53 59.867 58.750 1.117 1
1 700 . 20 1 1 A 53 53 LYS CB C 53 32.475 32.164 0.311 1
1 704 . 20 1 1 A 53 53 LYS N N 53 117.100 117.691 -0.591 1
1 705 . 20 1 1 A 54 54 PHE H H 54 7.388 8.120 -0.732 1
1 706 . 20 1 1 A 54 54 PHE HA H 54 4.167 4.126 0.041 1
1 714 . 20 1 1 A 54 54 PHE C C 54 178.975 176.884 2.091 1
1 715 . 20 1 1 A 54 54 PHE CA C 54 61.515 61.279 0.236 1
1 716 . 20 1 1 A 54 54 PHE CB C 54 39.619 38.941 0.678 1
1 722 . 20 1 1 A 54 54 PHE N N 54 117.704 120.584 -2.880 1
1 723 . 20 1 1 A 55 55 LEU H H 55 9.142 8.552 0.590 1
1 724 . 20 1 1 A 55 55 LEU HA H 55 3.720 3.803 -0.083 1
1 734 . 20 1 1 A 55 55 LEU C C 55 178.763 179.217 -0.454 1
1 735 . 20 1 1 A 55 55 LEU CA C 55 57.656 57.695 -0.039 1
1 736 . 20 1 1 A 55 55 LEU CB C 55 42.837 40.894 1.943 1
1 740 . 20 1 1 A 55 55 LEU N N 55 120.396 118.734 1.662 1
1 741 . 20 1 1 A 56 56 ARG H H 56 8.338 8.247 0.091 1
1 742 . 20 1 1 A 56 56 ARG HA H 56 3.855 3.868 -0.013 1
1 750 . 20 1 1 A 56 56 ARG C C 56 176.697 178.010 -1.313 1
1 751 . 20 1 1 A 56 56 ARG CA C 56 59.452 59.918 -0.466 1
1 752 . 20 1 1 A 56 56 ARG CB C 56 30.239 29.992 0.247 1
1 755 . 20 1 1 A 56 56 ARG N N 56 116.866 118.735 -1.869 1
1 757 . 20 1 1 A 57 57 LYS H H 57 6.770 7.365 -0.595 1
1 758 . 20 1 1 A 57 57 LYS HA H 57 4.542 4.289 0.253 1
1 767 . 20 1 1 A 57 57 LYS C C 57 176.148 175.730 0.418 1
1 768 . 20 1 1 A 57 57 LYS CA C 57 55.545 56.689 -1.144 1
1 769 . 20 1 1 A 57 57 LYS CB C 57 33.805 32.695 1.110 1
1 773 . 20 1 1 A 57 57 LYS N N 57 113.205 115.572 -2.367 1
1 774 . 20 1 1 A 58 58 THR H H 58 6.908 7.271 -0.363 1
1 775 . 20 1 1 A 58 58 THR HA H 58 4.212 4.407 -0.195 1
1 780 . 20 1 1 A 58 58 THR C C 58 173.643 174.158 -0.515 1
1 781 . 20 1 1 A 58 58 THR CA C 58 60.688 60.802 -0.114 1
1 782 . 20 1 1 A 58 58 THR CB C 58 67.557 68.440 -0.883 1
1 784 . 20 1 1 A 58 58 THR N N 58 117.915 113.948 3.967 1
1 785 . 20 1 1 A 59 59 ASP H H 59 8.789 8.490 0.299 1
1 786 . 20 1 1 A 59 59 ASP HA H 59 4.128 4.166 -0.038 1
1 789 . 20 1 1 A 59 59 ASP C C 59 178.565 177.654 0.911 1
1 790 . 20 1 1 A 59 59 ASP CA C 59 58.506 57.395 1.111 1
1 791 . 20 1 1 A 59 59 ASP CB C 59 39.530 41.425 -1.895 1
1 792 . 20 1 1 A 59 59 ASP N N 59 128.511 126.960 1.551 1
1 793 . 20 1 1 A 60 60 TRP H H 60 8.638 8.495 0.143 1
1 794 . 20 1 1 A 60 60 TRP HA H 60 4.375 4.453 -0.078 1
1 803 . 20 1 1 A 60 60 TRP C C 60 178.277 178.824 -0.547 1
1 804 . 20 1 1 A 60 60 TRP CA C 60 59.183 60.178 -0.995 1
1 805 . 20 1 1 A 60 60 TRP CB C 60 26.962 28.127 -1.165 1
1 811 . 20 1 1 A 60 60 TRP N N 60 117.515 119.019 -1.504 1
1 813 . 20 1 1 A 61 61 ALA H H 61 5.533 7.462 -1.929 1
1 814 . 20 1 1 A 61 61 ALA HA H 61 3.414 3.718 -0.304 1
1 818 . 20 1 1 A 61 61 ALA C C 61 177.616 179.622 -2.006 1
1 819 . 20 1 1 A 61 61 ALA CA C 61 54.478 55.053 -0.575 1
1 820 . 20 1 1 A 61 61 ALA CB C 61 17.904 17.649 0.255 1
1 821 . 20 1 1 A 61 61 ALA N N 61 125.465 123.774 1.691 1
1 822 . 20 1 1 A 62 62 ARG H H 62 7.811 7.390 0.421 1
1 823 . 20 1 1 A 62 62 ARG HA H 62 3.617 4.021 -0.404 1
1 831 . 20 1 1 A 62 62 ARG C C 62 177.918 178.744 -0.826 1
1 832 . 20 1 1 A 62 62 ARG CA C 62 60.708 59.439 1.269 1
1 833 . 20 1 1 A 62 62 ARG CB C 62 29.156 29.681 -0.525 1
1 836 . 20 1 1 A 62 62 ARG N N 62 120.420 118.619 1.801 1
1 838 . 20 1 1 A 63 63 GLU H H 63 8.412 8.596 -0.184 1
1 839 . 20 1 1 A 63 63 GLU HA H 63 4.041 4.040 0.001 1
1 844 . 20 1 1 A 63 63 GLU C C 63 178.935 179.390 -0.455 1
1 845 . 20 1 1 A 63 63 GLU CA C 63 59.509 59.331 0.178 1
1 846 . 20 1 1 A 63 63 GLU CB C 63 28.759 29.359 -0.600 1
1 848 . 20 1 1 A 63 63 GLU N N 63 117.144 117.666 -0.522 1
1 849 . 20 1 1 A 64 64 ARG H H 64 7.603 7.896 -0.293 1
1 850 . 20 1 1 A 64 64 ARG HA H 64 4.256 4.098 0.158 1
1 858 . 20 1 1 A 64 64 ARG C C 64 179.133 178.539 0.594 1
1 859 . 20 1 1 A 64 64 ARG CA C 64 59.340 59.611 -0.271 1
1 860 . 20 1 1 A 64 64 ARG CB C 64 30.067 30.975 -0.908 1
1 863 . 20 1 1 A 64 64 ARG N N 64 118.298 119.700 -1.402 1
1 865 . 20 1 1 A 65 65 VAL H H 65 8.065 8.180 -0.115 1
1 866 . 20 1 1 A 65 65 VAL HA H 65 3.713 3.504 0.209 1
1 874 . 20 1 1 A 65 65 VAL C C 65 177.638 177.576 0.062 1
1 875 . 20 1 1 A 65 65 VAL CA C 65 66.891 66.945 -0.054 1
1 876 . 20 1 1 A 65 65 VAL CB C 65 31.480 31.523 -0.043 1
1 879 . 20 1 1 A 65 65 VAL N N 65 117.270 120.126 -2.856 1
1 880 . 20 1 1 A 66 66 GLU H H 66 8.583 8.444 0.139 1
1 881 . 20 1 1 A 66 66 GLU HA H 66 3.912 3.990 -0.078 1
1 886 . 20 1 1 A 66 66 GLU C C 66 178.380 179.982 -1.602 1
1 887 . 20 1 1 A 66 66 GLU CA C 66 60.256 59.614 0.642 1
1 888 . 20 1 1 A 66 66 GLU CB C 66 28.691 29.194 -0.503 1
1 890 . 20 1 1 A 66 66 GLU N N 66 119.924 118.968 0.956 1
1 891 . 20 1 1 A 67 67 ASN H H 67 8.267 8.349 -0.082 1
1 892 . 20 1 1 A 67 67 ASN HA H 67 4.567 4.538 0.029 1
1 897 . 20 1 1 A 67 67 ASN C C 67 178.338 178.002 0.336 1
1 898 . 20 1 1 A 67 67 ASN CA C 67 56.900 56.482 0.418 1
1 899 . 20 1 1 A 67 67 ASN CB C 67 38.802 39.575 -0.773 1
1 901 . 20 1 1 A 67 67 ASN N N 67 117.574 117.657 -0.083 1
1 903 . 20 1 1 A 68 68 ILE H H 68 8.132 7.956 0.176 1
1 904 . 20 1 1 A 68 68 ILE HA H 68 3.726 3.642 0.084 1
1 914 . 20 1 1 A 68 68 ILE C C 68 178.722 178.067 0.655 1
1 915 . 20 1 1 A 68 68 ILE CA C 68 65.388 65.371 0.017 1
1 916 . 20 1 1 A 68 68 ILE CB C 68 37.841 37.528 0.313 1
1 920 . 20 1 1 A 68 68 ILE N N 68 121.125 119.513 1.612 1
1 921 . 20 1 1 A 69 69 TYR H H 69 8.146 8.279 -0.133 1
1 922 . 20 1 1 A 69 69 TYR HA H 69 4.058 4.078 -0.020 1
1 929 . 20 1 1 A 69 69 TYR C C 69 177.061 177.334 -0.273 1
1 930 . 20 1 1 A 69 69 TYR CA C 69 62.828 61.568 1.260 1
1 931 . 20 1 1 A 69 69 TYR CB C 69 38.747 38.750 -0.003 1
1 936 . 20 1 1 A 69 69 TYR N N 69 121.378 121.737 -0.359 1
1 937 . 20 1 1 A 70 70 LEU H H 70 8.630 8.303 0.327 1
1 938 . 20 1 1 A 70 70 LEU HA H 70 3.875 3.826 0.049 1
1 948 . 20 1 1 A 70 70 LEU C C 70 179.755 179.554 0.201 1
1 949 . 20 1 1 A 70 70 LEU CA C 70 58.230 57.908 0.322 1
1 950 . 20 1 1 A 70 70 LEU CB C 70 41.733 41.381 0.352 1
1 954 . 20 1 1 A 70 70 LEU N N 70 120.179 119.930 0.249 1
1 955 . 20 1 1 A 71 71 LYS H H 71 7.950 8.340 -0.390 1
1 956 . 20 1 1 A 71 71 LYS HA H 71 3.957 4.007 -0.050 1
1 965 . 20 1 1 A 71 71 LYS C C 71 178.961 178.581 0.380 1
1 966 . 20 1 1 A 71 71 LYS CA C 71 59.684 59.018 0.666 1
1 967 . 20 1 1 A 71 71 LYS CB C 71 32.421 32.247 0.174 1
1 971 . 20 1 1 A 71 71 LYS N N 71 118.820 120.027 -1.207 1
1 972 . 20 1 1 A 72 72 LEU H H 72 7.731 7.960 -0.229 1
1 973 . 20 1 1 A 72 72 LEU HA H 72 4.037 4.012 0.025 1
1 983 . 20 1 1 A 72 72 LEU C C 72 178.533 178.827 -0.294 1
1 984 . 20 1 1 A 72 72 LEU CA C 72 57.352 58.044 -0.692 1
1 985 . 20 1 1 A 72 72 LEU CB C 72 41.406 41.779 -0.373 1
1 989 . 20 1 1 A 72 72 LEU N N 72 121.367 120.920 0.447 1
1 990 . 20 1 1 A 73 73 GLN H H 73 7.884 8.291 -0.407 1
1 991 . 20 1 1 A 73 73 GLN HA H 73 3.852 4.061 -0.209 1
1 998 . 20 1 1 A 73 73 GLN C C 73 177.679 176.594 1.085 1
1 999 . 20 1 1 A 73 73 GLN CA C 73 57.026 57.155 -0.129 1
1 1000 . 20 1 1 A 73 73 GLN CB C 73 28.148 27.292 0.856 1
1 1003 . 20 1 1 A 73 73 GLN N N 73 116.639 116.683 -0.044 1
1 1005 . 20 1 1 A 74 74 ARG H H 74 7.725 8.096 -0.371 1
1 1006 . 20 1 1 A 74 74 ARG HA H 74 4.136 4.142 -0.006 1
1 1013 . 20 1 1 A 74 74 ARG C C 74 177.235 178.541 -1.306 1
1 1014 . 20 1 1 A 74 74 ARG CA C 74 57.452 58.688 -1.236 1
1 1015 . 20 1 1 A 74 74 ARG CB C 74 30.308 30.096 0.212 1
1 1018 . 20 1 1 A 74 74 ARG N N 74 118.122 120.699 -2.577 1
1 1019 . 20 1 1 A 75 75 HIS H H 75 7.982 7.930 0.052 1
1 1020 . 20 1 1 A 75 75 HIS HA H 75 4.564 4.233 0.331 1
1 1023 . 20 1 1 A 75 75 HIS C C 75 175.202 174.206 0.996 1
1 1024 . 20 1 1 A 75 75 HIS CA C 75 56.587 58.145 -1.558 1
1 1025 . 20 1 1 A 75 75 HIS CB C 75 28.477 30.705 -2.228 1
1 1026 . 20 1 1 A 75 75 HIS N N 75 117.995 119.741 -1.746 1
1 1027 . 20 1 1 A 76 76 LYS H H 76 8.180 7.059 1.121 1
1 1028 . 20 1 1 A 76 76 LYS HA H 76 4.148 4.268 -0.120 1
1 1037 . 20 1 1 A 76 76 LYS C C 76 177.303 177.085 0.218 1
1 1038 . 20 1 1 A 76 76 LYS CA C 76 57.550 56.626 0.924 1
1 1039 . 20 1 1 A 76 76 LYS CB C 76 32.789 32.778 0.011 1
1 1043 . 20 1 1 A 76 76 LYS N N 76 121.510 117.569 3.941 1
1 1044 . 20 1 1 A 77 77 GLU H H 77 8.321 8.922 -0.601 1
1 1045 . 20 1 1 A 77 77 GLU HA H 77 4.224 4.065 0.159 1
1 1050 . 20 1 1 A 77 77 GLU C C 77 177.067 177.230 -0.163 1
1 1051 . 20 1 1 A 77 77 GLU CA C 77 56.991 59.336 -2.345 1
1 1052 . 20 1 1 A 77 77 GLU CB C 77 29.841 29.195 0.646 1
1 1054 . 20 1 1 A 77 77 GLU N N 77 120.860 119.698 1.162 1
1 1055 . 20 1 1 A 78 78 ARG H H 78 8.228 7.479 0.749 1
1 1056 . 20 1 1 A 78 78 ARG HA H 78 4.240 4.341 -0.101 1
1 1063 . 20 1 1 A 78 78 ARG C C 78 176.577 176.909 -0.332 1
1 1064 . 20 1 1 A 78 78 ARG CA C 78 56.786 56.151 0.635 1
1 1065 . 20 1 1 A 78 78 ARG CB C 78 30.413 30.803 -0.390 1
1 1068 . 20 1 1 A 78 78 ARG N N 78 121.081 120.768 0.313 1
1 1069 . 20 1 1 A 79 79 ASN H H 79 8.333 8.760 -0.427 1
1 1070 . 20 1 1 A 79 79 ASN HA H 79 4.617 4.490 0.127 1
1 1075 . 20 1 1 A 79 79 ASN C C 79 175.605 175.511 0.094 1
1 1076 . 20 1 1 A 79 79 ASN CA C 79 53.938 56.024 -2.086 1
1 1077 . 20 1 1 A 79 79 ASN CB C 79 38.748 39.423 -0.675 1
1 1079 . 20 1 1 A 79 79 ASN N N 79 118.880 124.159 -5.279 1
1 1081 . 20 1 1 A 80 80 GLN H H 80 8.285 7.629 0.656 1
1 1082 . 20 1 1 A 80 80 GLN HA H 80 4.253 4.802 -0.549 1
1 1089 . 20 1 1 A 80 80 GLN C C 80 176.304 173.519 2.785 1
1 1090 . 20 1 1 A 80 80 GLN CA C 80 56.545 54.687 1.858 1
1 1091 . 20 1 1 A 80 80 GLN CB C 80 29.274 31.567 -2.293 1
1 1094 . 20 1 1 A 80 80 GLN N N 80 120.222 113.457 6.765 1
1 1096 . 20 1 1 A 81 81 LEU H H 81 8.130 8.684 -0.554 1
1 1097 . 20 1 1 A 81 81 LEU HA H 81 4.222 5.072 -0.850 1
1 1107 . 20 1 1 A 81 81 LEU C C 81 177.542 175.026 2.516 1
1 1108 . 20 1 1 A 81 81 LEU CA C 81 55.736 53.328 2.408 1
1 1109 . 20 1 1 A 81 81 LEU CB C 81 42.196 44.502 -2.306 1
1 1113 . 20 1 1 A 81 81 LEU N N 81 122.119 117.196 4.923 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 80 1.210 1
2 1 1 1 "RMS(OBS, PRED)" CA 80 1.410 1
3 1 1 1 "RMS(OBS, PRED)" CB 78 1.009 1
4 1 1 1 "RMS(OBS, PRED)" H 77 0.545 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.228 1
6 1 1 1 "RMS(OBS, PRED)" N 77 2.537 1
7 1 2 1 "RMS(OBS, PRED)" C 80 1.170 1
8 1 2 1 "RMS(OBS, PRED)" CA 80 1.204 1
9 1 2 1 "RMS(OBS, PRED)" CB 78 1.302 1
10 1 2 1 "RMS(OBS, PRED)" H 77 0.478 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.237 1
12 1 2 1 "RMS(OBS, PRED)" N 77 2.792 1
13 1 3 1 "RMS(OBS, PRED)" C 80 1.315 1
14 1 3 1 "RMS(OBS, PRED)" CA 80 1.458 1
15 1 3 1 "RMS(OBS, PRED)" CB 78 1.263 1
16 1 3 1 "RMS(OBS, PRED)" H 77 0.502 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.335 1
18 1 3 1 "RMS(OBS, PRED)" N 77 2.639 1
19 1 4 1 "RMS(OBS, PRED)" C 80 1.209 1
20 1 4 1 "RMS(OBS, PRED)" CA 80 1.348 1
21 1 4 1 "RMS(OBS, PRED)" CB 78 1.050 1
22 1 4 1 "RMS(OBS, PRED)" H 77 0.502 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.244 1
24 1 4 1 "RMS(OBS, PRED)" N 77 2.423 1
25 1 5 1 "RMS(OBS, PRED)" C 80 1.221 1
26 1 5 1 "RMS(OBS, PRED)" CA 80 1.451 1
27 1 5 1 "RMS(OBS, PRED)" CB 78 1.245 1
28 1 5 1 "RMS(OBS, PRED)" H 77 0.517 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.242 1
30 1 5 1 "RMS(OBS, PRED)" N 77 2.859 1
31 1 6 1 "RMS(OBS, PRED)" C 80 1.226 1
32 1 6 1 "RMS(OBS, PRED)" CA 80 1.291 1
33 1 6 1 "RMS(OBS, PRED)" CB 78 1.127 1
34 1 6 1 "RMS(OBS, PRED)" H 77 0.442 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.239 1
36 1 6 1 "RMS(OBS, PRED)" N 77 3.076 1
37 1 7 1 "RMS(OBS, PRED)" C 80 1.232 1
38 1 7 1 "RMS(OBS, PRED)" CA 80 1.361 1
39 1 7 1 "RMS(OBS, PRED)" CB 78 1.234 1
40 1 7 1 "RMS(OBS, PRED)" H 77 0.510 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.303 1
42 1 7 1 "RMS(OBS, PRED)" N 77 2.726 1
43 1 8 1 "RMS(OBS, PRED)" C 80 1.046 1
44 1 8 1 "RMS(OBS, PRED)" CA 80 1.200 1
45 1 8 1 "RMS(OBS, PRED)" CB 78 0.898 1
46 1 8 1 "RMS(OBS, PRED)" H 77 0.460 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.203 1
48 1 8 1 "RMS(OBS, PRED)" N 77 2.693 1
49 1 9 1 "RMS(OBS, PRED)" C 80 1.116 1
50 1 9 1 "RMS(OBS, PRED)" CA 80 1.159 1
51 1 9 1 "RMS(OBS, PRED)" CB 78 1.093 1
52 1 9 1 "RMS(OBS, PRED)" H 77 0.508 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.232 1
54 1 9 1 "RMS(OBS, PRED)" N 77 2.876 1
55 1 10 1 "RMS(OBS, PRED)" C 80 1.115 1
56 1 10 1 "RMS(OBS, PRED)" CA 80 1.312 1
57 1 10 1 "RMS(OBS, PRED)" CB 78 0.965 1
58 1 10 1 "RMS(OBS, PRED)" H 77 0.479 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.219 1
60 1 10 1 "RMS(OBS, PRED)" N 77 2.631 1
61 1 11 1 "RMS(OBS, PRED)" C 80 1.203 1
62 1 11 1 "RMS(OBS, PRED)" CA 80 1.331 1
63 1 11 1 "RMS(OBS, PRED)" CB 78 1.089 1
64 1 11 1 "RMS(OBS, PRED)" H 77 0.496 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.244 1
66 1 11 1 "RMS(OBS, PRED)" N 77 2.600 1
67 1 12 1 "RMS(OBS, PRED)" C 80 1.159 1
68 1 12 1 "RMS(OBS, PRED)" CA 80 1.351 1
69 1 12 1 "RMS(OBS, PRED)" CB 78 1.106 1
70 1 12 1 "RMS(OBS, PRED)" H 77 0.486 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.261 1
72 1 12 1 "RMS(OBS, PRED)" N 77 2.550 1
73 1 13 1 "RMS(OBS, PRED)" C 80 1.198 1
74 1 13 1 "RMS(OBS, PRED)" CA 80 1.303 1
75 1 13 1 "RMS(OBS, PRED)" CB 78 1.058 1
76 1 13 1 "RMS(OBS, PRED)" H 77 0.487 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.240 1
78 1 13 1 "RMS(OBS, PRED)" N 77 2.858 1
79 1 14 1 "RMS(OBS, PRED)" C 80 1.298 1
80 1 14 1 "RMS(OBS, PRED)" CA 80 1.453 1
81 1 14 1 "RMS(OBS, PRED)" CB 78 1.297 1
82 1 14 1 "RMS(OBS, PRED)" H 77 0.532 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.275 1
84 1 14 1 "RMS(OBS, PRED)" N 77 2.722 1
85 1 15 1 "RMS(OBS, PRED)" C 80 1.161 1
86 1 15 1 "RMS(OBS, PRED)" CA 80 1.282 1
87 1 15 1 "RMS(OBS, PRED)" CB 78 1.137 1
88 1 15 1 "RMS(OBS, PRED)" H 77 0.490 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.249 1
90 1 15 1 "RMS(OBS, PRED)" N 77 2.640 1
91 1 16 1 "RMS(OBS, PRED)" C 80 1.085 1
92 1 16 1 "RMS(OBS, PRED)" CA 80 1.213 1
93 1 16 1 "RMS(OBS, PRED)" CB 78 1.010 1
94 1 16 1 "RMS(OBS, PRED)" H 77 0.498 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.241 1
96 1 16 1 "RMS(OBS, PRED)" N 77 2.404 1
97 1 17 1 "RMS(OBS, PRED)" C 80 1.170 1
98 1 17 1 "RMS(OBS, PRED)" CA 80 1.321 1
99 1 17 1 "RMS(OBS, PRED)" CB 78 1.131 1
100 1 17 1 "RMS(OBS, PRED)" H 77 0.467 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.244 1
102 1 17 1 "RMS(OBS, PRED)" N 77 2.624 1
103 1 18 1 "RMS(OBS, PRED)" C 80 1.286 1
104 1 18 1 "RMS(OBS, PRED)" CA 80 1.494 1
105 1 18 1 "RMS(OBS, PRED)" CB 78 1.200 1
106 1 18 1 "RMS(OBS, PRED)" H 77 0.500 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.279 1
108 1 18 1 "RMS(OBS, PRED)" N 77 2.805 1
109 1 19 1 "RMS(OBS, PRED)" C 80 1.408 1
110 1 19 1 "RMS(OBS, PRED)" CA 80 1.515 1
111 1 19 1 "RMS(OBS, PRED)" CB 78 1.057 1
112 1 19 1 "RMS(OBS, PRED)" H 77 0.542 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.243 1
114 1 19 1 "RMS(OBS, PRED)" N 77 3.154 1
115 1 20 1 "RMS(OBS, PRED)" C 80 1.229 1
116 1 20 1 "RMS(OBS, PRED)" CA 80 1.396 1
117 1 20 1 "RMS(OBS, PRED)" CB 78 1.190 1
118 1 20 1 "RMS(OBS, PRED)" H 77 0.547 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.295 1
120 1 20 1 "RMS(OBS, PRED)" N 77 2.785 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 2 2 ALA HA H 2 4.081 4.543 -0.462 2
1 5 . 1 1 A 2 2 ALA C C 2 173.423 176.884 -3.461 2
1 6 . 1 1 A 2 2 ALA CA C 2 51.798 51.892 -0.094 2
1 7 . 1 1 A 2 2 ALA CB C 2 19.502 19.982 -0.480 2
1 8 . 1 1 A 3 3 LEU H H 3 8.547 8.499 0.048 2
1 9 . 1 1 A 3 3 LEU HA H 3 4.394 4.536 -0.142 2
1 19 . 1 1 A 3 3 LEU C C 3 176.779 176.399 0.380 2
1 20 . 1 1 A 3 3 LEU CA C 3 55.226 54.768 0.458 2
1 21 . 1 1 A 3 3 LEU CB C 3 42.472 42.461 0.011 2
1 25 . 1 1 A 3 3 LEU N N 3 122.089 122.370 -0.281 2
1 26 . 1 1 A 4 4 ILE H H 4 8.319 8.342 -0.023 2
1 27 . 1 1 A 4 4 ILE HA H 4 4.167 4.376 -0.209 2
1 37 . 1 1 A 4 4 ILE C C 4 176.138 175.121 1.017 2
1 38 . 1 1 A 4 4 ILE CA C 4 60.894 60.828 0.066 2
1 39 . 1 1 A 4 4 ILE CB C 4 38.595 38.495 0.100 2
1 43 . 1 1 A 4 4 ILE N N 4 123.468 122.325 1.143 2
1 44 . 1 1 A 5 5 MET H H 5 8.574 8.665 -0.091 2
1 45 . 1 1 A 5 5 MET HA H 5 4.584 4.781 -0.197 2
1 50 . 1 1 A 5 5 MET C C 5 176.274 175.642 0.632 2
1 51 . 1 1 A 5 5 MET CA C 5 55.348 54.592 0.756 2
1 52 . 1 1 A 5 5 MET CB C 5 32.961 32.669 0.292 2
1 54 . 1 1 A 5 5 MET N N 5 125.527 126.356 -0.829 2
1 55 . 1 1 A 6 6 THR H H 6 8.172 8.333 -0.161 2
1 56 . 1 1 A 6 6 THR HA H 6 4.331 4.581 -0.250 2
1 61 . 1 1 A 6 6 THR C C 6 174.578 173.968 0.610 2
1 62 . 1 1 A 6 6 THR CA C 6 61.849 62.379 -0.530 2
1 63 . 1 1 A 6 6 THR CB C 6 69.904 69.371 0.533 2
1 65 . 1 1 A 6 6 THR N N 6 115.487 117.583 -2.096 2
1 66 . 1 1 A 7 7 GLN H H 7 8.461 8.421 0.040 2
1 67 . 1 1 A 7 7 GLN HA H 7 4.317 4.507 -0.190 2
1 74 . 1 1 A 7 7 GLN C C 7 176.108 175.442 0.666 2
1 75 . 1 1 A 7 7 GLN CA C 7 56.149 55.552 0.597 2
1 76 . 1 1 A 7 7 GLN CB C 7 29.491 29.917 -0.426 2
1 79 . 1 1 A 7 7 GLN N N 7 122.199 124.111 -1.912 2
1 81 . 1 1 A 8 8 GLN H H 8 8.418 8.432 -0.014 2
1 82 . 1 1 A 8 8 GLN HA H 8 4.219 4.429 -0.210 2
1 89 . 1 1 A 8 8 GLN C C 8 175.704 175.346 0.358 2
1 90 . 1 1 A 8 8 GLN CA C 8 56.112 55.776 0.336 2
1 91 . 1 1 A 8 8 GLN CB C 8 29.435 28.951 0.484 2
1 94 . 1 1 A 8 8 GLN N N 8 121.100 122.679 -1.579 2
1 96 . 1 1 A 9 9 ASN H H 9 8.404 8.522 -0.118 2
1 97 . 1 1 A 9 9 ASN HA H 9 4.654 4.932 -0.278 2
1 102 . 1 1 A 9 9 ASN C C 9 174.445 174.536 -0.091 2
1 103 . 1 1 A 9 9 ASN CA C 9 53.190 53.245 -0.055 2
1 104 . 1 1 A 9 9 ASN CB C 9 38.913 39.629 -0.716 2
1 106 . 1 1 A 9 9 ASN N N 9 119.104 121.659 -2.555 2
1 108 . 1 1 A 10 10 ASN H H 10 8.306 8.638 -0.332 2
1 109 . 1 1 A 10 10 ASN HA H 10 4.964 5.091 -0.127 2
1 114 . 1 1 A 10 10 ASN C C 10 174.315 174.930 -0.615 2
1 115 . 1 1 A 10 10 ASN CA C 10 51.318 51.048 0.270 2
1 116 . 1 1 A 10 10 ASN CB C 10 38.992 38.938 0.054 2
1 118 . 1 1 A 10 10 ASN N N 10 119.847 119.340 0.507 2
1 120 . 1 1 A 11 11 PRO HA H 11 4.427 4.437 -0.010 2
1 127 . 1 1 A 11 11 PRO C C 11 177.095 177.342 -0.247 2
1 128 . 1 1 A 11 11 PRO CA C 11 64.214 64.673 -0.459 2
1 129 . 1 1 A 11 11 PRO CB C 11 32.355 31.962 0.392 2
1 132 . 1 1 A 12 12 LEU H H 12 8.102 7.992 0.110 2
1 133 . 1 1 A 12 12 LEU HA H 12 4.320 4.516 -0.196 2
1 143 . 1 1 A 12 12 LEU C C 12 177.341 177.247 0.094 2
1 144 . 1 1 A 12 12 LEU CA C 12 54.883 54.834 0.049 2
1 145 . 1 1 A 12 12 LEU CB C 12 41.300 42.511 -1.211 2
1 149 . 1 1 A 12 12 LEU N N 12 117.525 116.357 1.168 2
1 150 . 1 1 A 13 13 HIS H H 13 8.004 8.122 -0.118 2
1 151 . 1 1 A 13 13 HIS HA H 13 4.453 4.486 -0.033 2
1 154 . 1 1 A 13 13 HIS C C 13 175.375 175.560 -0.185 2
1 155 . 1 1 A 13 13 HIS CA C 13 56.796 57.085 -0.289 2
1 156 . 1 1 A 13 13 HIS CB C 13 28.248 30.082 -1.834 2
1 157 . 1 1 A 13 13 HIS N N 13 117.833 120.003 -2.170 2
1 158 . 1 1 A 14 14 GLY H H 14 8.530 8.256 0.274 2
1 159 . 1 1 A 14 14 GLY HA2 H 14 3.930 3.820 0.110 2
1 160 . 1 1 A 14 14 GLY HA3 H 14 3.755 3.882 -0.127 2
1 161 . 1 1 A 14 14 GLY C C 14 173.536 173.643 -0.107 2
1 162 . 1 1 A 14 14 GLY CA C 14 45.529 46.100 -0.571 2
1 163 . 1 1 A 14 14 GLY N N 14 110.385 109.107 1.278 2
1 164 . 1 1 A 15 15 ILE H H 15 7.563 7.996 -0.433 2
1 165 . 1 1 A 15 15 ILE HA H 15 4.392 4.176 0.216 2
1 175 . 1 1 A 15 15 ILE C C 15 174.878 176.032 -1.154 2
1 176 . 1 1 A 15 15 ILE CA C 15 60.102 61.062 -0.960 2
1 177 . 1 1 A 15 15 ILE CB C 15 39.383 38.367 1.016 2
1 181 . 1 1 A 15 15 ILE N N 15 120.363 122.616 -2.253 2
1 182 . 1 1 A 16 16 THR H H 16 7.643 8.476 -0.833 2
1 183 . 1 1 A 16 16 THR HA H 16 4.381 4.659 -0.278 2
1 188 . 1 1 A 16 16 THR C C 16 174.950 175.548 -0.598 2
1 189 . 1 1 A 16 16 THR CA C 16 60.355 60.437 -0.082 2
1 190 . 1 1 A 16 16 THR CB C 16 70.834 71.235 -0.401 2
1 192 . 1 1 A 16 16 THR N N 16 115.980 119.262 -3.282 2
1 193 . 1 1 A 17 17 LEU H H 17 8.712 8.825 -0.113 2
1 194 . 1 1 A 17 17 LEU HA H 17 4.029 4.014 0.015 2
1 204 . 1 1 A 17 17 LEU C C 17 178.125 177.950 0.175 2
1 205 . 1 1 A 17 17 LEU CA C 17 57.582 58.443 -0.861 2
1 206 . 1 1 A 17 17 LEU CB C 17 40.906 41.279 -0.373 2
1 210 . 1 1 A 17 17 LEU N N 17 123.337 123.521 -0.184 2
1 211 . 1 1 A 18 18 GLN H H 18 8.611 8.232 0.379 2
1 212 . 1 1 A 18 18 GLN HA H 18 3.774 3.983 -0.209 2
1 219 . 1 1 A 18 18 GLN C C 18 178.211 178.405 -0.194 2
1 220 . 1 1 A 18 18 GLN CA C 18 60.388 59.256 1.132 2
1 221 . 1 1 A 18 18 GLN CB C 18 27.809 28.691 -0.882 2
1 224 . 1 1 A 18 18 GLN N N 18 116.423 118.622 -2.199 2
1 226 . 1 1 A 19 19 LYS H H 19 7.861 7.555 0.306 2
1 227 . 1 1 A 19 19 LYS HA H 19 3.957 4.122 -0.165 2
1 236 . 1 1 A 19 19 LYS C C 19 177.806 178.650 -0.844 2
1 237 . 1 1 A 19 19 LYS CA C 19 59.684 58.995 0.689 2
1 238 . 1 1 A 19 19 LYS CB C 19 32.300 32.028 0.272 2
1 242 . 1 1 A 19 19 LYS N N 19 123.583 119.959 3.624 2
1 243 . 1 1 A 20 20 LEU H H 20 8.223 8.157 0.066 2
1 244 . 1 1 A 20 20 LEU HA H 20 3.418 3.564 -0.146 2
1 254 . 1 1 A 20 20 LEU C C 20 178.417 178.257 0.160 2
1 255 . 1 1 A 20 20 LEU CA C 20 59.301 58.017 1.284 2
1 256 . 1 1 A 20 20 LEU CB C 20 41.370 41.471 -0.101 2
1 260 . 1 1 A 20 20 LEU N N 20 121.397 120.869 0.528 2
1 261 . 1 1 A 21 21 LEU H H 21 8.649 8.315 0.334 2
1 262 . 1 1 A 21 21 LEU HA H 21 3.872 3.898 -0.026 2
1 272 . 1 1 A 21 21 LEU C C 21 178.009 178.566 -0.557 2
1 273 . 1 1 A 21 21 LEU CA C 21 58.027 58.041 -0.014 2
1 274 . 1 1 A 21 21 LEU CB C 21 42.279 41.482 0.797 2
1 278 . 1 1 A 21 21 LEU N N 21 118.999 119.678 -0.679 2
1 279 . 1 1 A 22 22 THR H H 22 8.025 7.997 0.028 2
1 280 . 1 1 A 22 22 THR HA H 22 3.592 3.767 -0.175 2
1 285 . 1 1 A 22 22 THR C C 22 176.358 176.230 0.128 2
1 286 . 1 1 A 22 22 THR CA C 22 67.879 66.865 1.014 2
1 287 . 1 1 A 22 22 THR CB C 22 68.717 68.595 0.122 2
1 289 . 1 1 A 22 22 THR N N 22 115.015 114.846 0.169 2
1 290 . 1 1 A 23 23 GLU H H 23 8.158 8.496 -0.338 2
1 291 . 1 1 A 23 23 GLU HA H 23 4.068 4.027 0.041 2
1 296 . 1 1 A 23 23 GLU C C 23 180.091 179.760 0.331 2
1 297 . 1 1 A 23 23 GLU CA C 23 59.845 59.467 0.378 2
1 298 . 1 1 A 23 23 GLU CB C 23 29.101 29.407 -0.306 2
1 300 . 1 1 A 23 23 GLU N N 23 120.691 119.556 1.135 2
1 301 . 1 1 A 24 24 LEU H H 24 8.121 7.903 0.218 2
1 302 . 1 1 A 24 24 LEU HA H 24 4.140 4.277 -0.137 2
1 312 . 1 1 A 24 24 LEU C C 24 179.047 179.028 0.019 2
1 313 . 1 1 A 24 24 LEU CA C 24 58.438 58.053 0.385 2
1 314 . 1 1 A 24 24 LEU CB C 24 42.715 41.813 0.902 2
1 318 . 1 1 A 24 24 LEU N N 24 119.210 120.516 -1.306 2
1 319 . 1 1 A 25 25 VAL H H 25 8.577 8.141 0.436 2
1 320 . 1 1 A 25 25 VAL HA H 25 2.698 3.161 -0.463 2
1 328 . 1 1 A 25 25 VAL C C 25 179.143 177.801 1.342 2
1 329 . 1 1 A 25 25 VAL CA C 25 67.077 66.706 0.371 2
1 330 . 1 1 A 25 25 VAL CB C 25 31.127 30.895 0.232 2
1 333 . 1 1 A 25 25 VAL N N 25 122.036 119.395 2.641 2
1 334 . 1 1 A 26 26 GLU H H 26 8.216 8.233 -0.017 2
1 335 . 1 1 A 26 26 GLU HA H 26 3.858 3.946 -0.088 2
1 340 . 1 1 A 26 26 GLU C C 26 177.409 178.491 -1.082 2
1 341 . 1 1 A 26 26 GLU CA C 26 59.105 59.102 0.003 2
1 342 . 1 1 A 26 26 GLU CB C 26 29.025 29.315 -0.290 2
1 344 . 1 1 A 26 26 GLU N N 26 119.262 118.999 0.263 2
1 345 . 1 1 A 27 27 HIS H H 27 7.815 7.894 -0.079 2
1 346 . 1 1 A 27 27 HIS HA H 27 4.183 4.234 -0.051 2
1 349 . 1 1 A 27 27 HIS C C 27 175.618 176.042 -0.424 2
1 350 . 1 1 A 27 27 HIS CA C 27 58.932 58.596 0.336 2
1 351 . 1 1 A 27 27 HIS CB C 27 29.358 30.445 -1.087 2
1 352 . 1 1 A 27 27 HIS N N 27 114.100 119.299 -5.199 2
1 353 . 1 1 A 28 28 TYR H H 28 8.628 8.117 0.511 2
1 354 . 1 1 A 28 28 TYR HA H 28 4.424 4.386 0.038 2
1 361 . 1 1 A 28 28 TYR C C 28 177.445 176.396 1.049 2
1 362 . 1 1 A 28 28 TYR CA C 28 60.294 60.072 0.222 2
1 363 . 1 1 A 28 28 TYR CB C 28 40.851 39.562 1.289 2
1 368 . 1 1 A 28 28 TYR N N 28 113.706 114.957 -1.250 2
1 369 . 1 1 A 29 29 GLY H H 29 7.713 7.558 0.155 2
1 370 . 1 1 A 29 29 GLY HA2 H 29 4.366 3.947 0.419 2
1 371 . 1 1 A 29 29 GLY HA3 H 29 3.846 4.084 -0.238 2
1 372 . 1 1 A 29 29 GLY C C 29 172.549 175.090 -2.541 2
1 373 . 1 1 A 29 29 GLY CA C 29 44.258 44.400 -0.142 2
1 374 . 1 1 A 29 29 GLY N N 29 107.840 104.973 2.867 2
1 375 . 1 1 A 30 30 TRP H H 30 7.960 8.759 -0.799 2
1 376 . 1 1 A 30 30 TRP HA H 30 4.136 4.177 -0.041 2
1 385 . 1 1 A 30 30 TRP C C 30 178.090 178.743 -0.653 2
1 386 . 1 1 A 30 30 TRP CA C 30 60.502 59.934 0.568 2
1 387 . 1 1 A 30 30 TRP CB C 30 30.304 29.077 1.227 2
1 393 . 1 1 A 30 30 TRP N N 30 118.175 122.089 -3.914 2
1 395 . 1 1 A 31 31 GLU H H 31 8.549 8.465 0.084 2
1 396 . 1 1 A 31 31 GLU HA H 31 3.992 4.043 -0.051 2
1 401 . 1 1 A 31 31 GLU C C 31 179.942 179.255 0.687 2
1 402 . 1 1 A 31 31 GLU CA C 31 60.090 59.865 0.225 2
1 403 . 1 1 A 31 31 GLU CB C 31 28.474 29.248 -0.774 2
1 405 . 1 1 A 31 31 GLU N N 31 118.099 119.436 -1.337 2
1 406 . 1 1 A 32 32 GLU H H 32 8.962 8.127 0.835 2
1 407 . 1 1 A 32 32 GLU HA H 32 4.137 4.161 -0.024 2
1 412 . 1 1 A 32 32 GLU C C 32 179.651 179.420 0.231 2
1 413 . 1 1 A 32 32 GLU CA C 32 58.745 59.048 -0.303 2
1 414 . 1 1 A 32 32 GLU CB C 32 28.145 29.748 -1.603 2
1 416 . 1 1 A 32 32 GLU N N 32 120.094 120.208 -0.114 2
1 417 . 1 1 A 33 33 LEU H H 33 7.748 8.189 -0.441 2
1 418 . 1 1 A 33 33 LEU HA H 33 3.922 3.899 0.023 2
1 428 . 1 1 A 33 33 LEU C C 33 178.833 179.175 -0.342 2
1 429 . 1 1 A 33 33 LEU CA C 33 58.577 57.710 0.867 2
1 430 . 1 1 A 33 33 LEU CB C 33 41.269 41.128 0.141 2
1 434 . 1 1 A 33 33 LEU N N 33 118.890 120.837 -1.947 2
1 435 . 1 1 A 34 34 SER H H 34 8.607 8.356 0.251 2
1 436 . 1 1 A 34 34 SER HA H 34 4.642 4.622 0.019 2
1 439 . 1 1 A 34 34 SER C C 34 175.346 176.281 -0.935 2
1 440 . 1 1 A 34 34 SER CA C 34 61.247 61.028 0.219 2
1 441 . 1 1 A 34 34 SER CB C 34 63.043 63.237 -0.194 2
1 442 . 1 1 A 34 34 SER N N 34 114.464 113.818 0.646 2
1 443 . 1 1 A 35 35 TYR H H 35 7.395 7.821 -0.426 2
1 444 . 1 1 A 35 35 TYR HA H 35 4.537 4.303 0.234 2
1 451 . 1 1 A 35 35 TYR C C 35 177.940 177.733 0.207 2
1 452 . 1 1 A 35 35 TYR CA C 35 58.907 61.024 -2.117 2
1 453 . 1 1 A 35 35 TYR CB C 35 37.852 38.743 -0.891 2
1 458 . 1 1 A 35 35 TYR N N 35 120.804 122.857 -2.053 2
1 459 . 1 1 A 36 36 MET H H 36 7.840 8.264 -0.424 2
1 460 . 1 1 A 36 36 MET HA H 36 4.158 4.258 -0.100 2
1 468 . 1 1 A 36 36 MET C C 36 177.049 176.408 0.641 2
1 469 . 1 1 A 36 36 MET CA C 36 58.684 58.366 0.318 2
1 470 . 1 1 A 36 36 MET CB C 36 34.927 33.371 1.556 2
1 473 . 1 1 A 36 36 MET N N 36 118.425 117.521 0.904 2
1 474 . 1 1 A 37 37 VAL H H 37 8.469 8.229 0.240 2
1 475 . 1 1 A 37 37 VAL HA H 37 4.265 4.315 -0.050 2
1 483 . 1 1 A 37 37 VAL C C 37 173.959 175.149 -1.190 2
1 484 . 1 1 A 37 37 VAL CA C 37 61.621 61.943 -0.322 2
1 485 . 1 1 A 37 37 VAL CB C 37 32.527 32.060 0.467 2
1 488 . 1 1 A 37 37 VAL N N 37 117.997 118.758 -0.761 2
1 489 . 1 1 A 38 38 ASN H H 38 8.677 8.929 -0.252 2
1 490 . 1 1 A 38 38 ASN HA H 38 4.948 4.954 -0.006 2
1 495 . 1 1 A 38 38 ASN C C 38 174.710 174.377 0.333 2
1 496 . 1 1 A 38 38 ASN CA C 38 53.444 53.079 0.365 2
1 497 . 1 1 A 38 38 ASN CB C 38 37.001 37.233 -0.232 2
1 499 . 1 1 A 38 38 ASN N N 38 123.121 125.878 -2.757 2
1 501 . 1 1 A 39 39 ILE H H 39 7.744 8.160 -0.416 2
1 502 . 1 1 A 39 39 ILE HA H 39 4.655 4.758 -0.103 2
1 512 . 1 1 A 39 39 ILE C C 39 176.996 175.223 1.773 2
1 513 . 1 1 A 39 39 ILE CA C 39 59.201 58.800 0.401 2
1 514 . 1 1 A 39 39 ILE CB C 39 40.558 40.966 -0.408 2
1 518 . 1 1 A 39 39 ILE N N 39 115.722 119.290 -3.568 2
1 519 . 1 1 A 40 40 ASN H H 40 8.881 8.806 0.075 2
1 520 . 1 1 A 40 40 ASN HA H 40 4.192 4.512 -0.320 2
1 525 . 1 1 A 40 40 ASN C C 40 177.705 175.838 1.867 2
1 526 . 1 1 A 40 40 ASN CA C 40 56.883 53.853 3.030 2
1 527 . 1 1 A 40 40 ASN CB C 40 38.313 37.726 0.587 2
1 529 . 1 1 A 40 40 ASN N N 40 124.600 122.372 2.228 2
1 531 . 1 1 A 41 41 CYS H H 41 8.034 7.940 0.094 2
1 532 . 1 1 A 41 41 CYS HA H 41 4.373 4.067 0.306 2
1 535 . 1 1 A 41 41 CYS C C 41 174.303 176.244 -1.941 2
1 536 . 1 1 A 41 41 CYS CA C 41 59.164 61.523 -2.359 2
1 537 . 1 1 A 41 41 CYS CB C 41 26.126 27.485 -1.359 2
1 538 . 1 1 A 41 41 CYS N N 41 115.097 120.125 -5.028 2
1 539 . 1 1 A 42 42 PHE H H 42 7.031 7.613 -0.582 2
1 540 . 1 1 A 42 42 PHE HA H 42 4.937 4.398 0.539 2
1 548 . 1 1 A 42 42 PHE C C 42 174.437 177.374 -2.937 2
1 549 . 1 1 A 42 42 PHE CA C 42 54.439 60.420 -5.981 2
1 550 . 1 1 A 42 42 PHE CB C 42 38.059 38.711 -0.652 2
1 556 . 1 1 A 42 42 PHE N N 42 117.304 118.499 -1.195 2
1 557 . 1 1 A 43 43 LYS H H 43 7.371 7.745 -0.374 2
1 558 . 1 1 A 43 43 LYS HA H 43 4.304 4.328 -0.024 2
1 567 . 1 1 A 43 43 LYS C C 43 175.800 176.753 -0.953 2
1 568 . 1 1 A 43 43 LYS CA C 43 57.474 57.653 -0.179 2
1 569 . 1 1 A 43 43 LYS CB C 43 34.978 33.373 1.605 2
1 573 . 1 1 A 43 43 LYS N N 43 116.029 118.267 -2.238 2
1 574 . 1 1 A 44 44 LYS H H 44 7.593 7.778 -0.185 2
1 575 . 1 1 A 44 44 LYS HA H 44 4.302 4.367 -0.065 2
1 584 . 1 1 A 44 44 LYS C C 44 173.608 175.621 -2.013 2
1 585 . 1 1 A 44 44 LYS CA C 44 55.169 55.891 -0.722 2
1 586 . 1 1 A 44 44 LYS CB C 44 33.123 33.980 -0.857 2
1 590 . 1 1 A 44 44 LYS N N 44 119.851 118.965 0.886 2
1 591 . 1 1 A 45 45 ASP H H 45 8.774 8.685 0.089 2
1 592 . 1 1 A 45 45 ASP HA H 45 4.200 4.232 -0.032 2
1 595 . 1 1 A 45 45 ASP C C 45 172.128 174.881 -2.753 2
1 596 . 1 1 A 45 45 ASP CA C 45 53.963 54.212 -0.249 2
1 597 . 1 1 A 45 45 ASP CB C 45 40.263 39.596 0.667 2
1 598 . 1 1 A 45 45 ASP N N 45 122.276 123.095 -0.819 2
1 599 . 1 1 A 46 46 PRO HA H 46 3.930 4.036 -0.106 2
1 606 . 1 1 A 46 46 PRO C C 46 176.968 175.168 1.800 2
1 607 . 1 1 A 46 46 PRO CA C 46 62.964 62.141 0.823 2
1 608 . 1 1 A 46 46 PRO CB C 46 30.892 29.857 1.035 2
1 611 . 1 1 A 47 47 SER H H 47 8.018 8.091 -0.073 2
1 612 . 1 1 A 47 47 SER HA H 47 4.676 4.788 -0.112 2
1 615 . 1 1 A 47 47 SER C C 47 175.465 174.536 0.929 2
1 616 . 1 1 A 47 47 SER CA C 47 57.014 57.494 -0.480 2
1 617 . 1 1 A 47 47 SER CB C 47 66.436 65.493 0.943 2
1 618 . 1 1 A 47 47 SER N N 47 112.273 117.695 -5.422 2
1 619 . 1 1 A 48 48 ILE H H 48 9.489 9.018 0.471 2
1 620 . 1 1 A 48 48 ILE HA H 48 4.013 4.051 -0.038 2
1 630 . 1 1 A 48 48 ILE C C 48 177.681 177.796 -0.115 2
1 631 . 1 1 A 48 48 ILE CA C 48 64.456 65.781 -1.325 2
1 632 . 1 1 A 48 48 ILE CB C 48 36.382 38.005 -1.623 2
1 636 . 1 1 A 48 48 ILE N N 48 126.826 126.475 0.351 2
1 637 . 1 1 A 49 49 LYS H H 49 8.735 8.125 0.610 2
1 638 . 1 1 A 49 49 LYS HA H 49 3.984 4.038 -0.054 2
1 647 . 1 1 A 49 49 LYS C C 49 179.784 179.061 0.723 2
1 648 . 1 1 A 49 49 LYS CA C 49 60.562 59.431 1.131 2
1 649 . 1 1 A 49 49 LYS CB C 49 32.533 32.195 0.338 2
1 653 . 1 1 A 49 49 LYS N N 49 118.592 120.906 -2.314 2
1 654 . 1 1 A 50 50 SER H H 50 8.065 7.917 0.148 2
1 655 . 1 1 A 50 50 SER HA H 50 4.270 4.190 0.080 2
1 658 . 1 1 A 50 50 SER C C 50 178.135 176.832 1.303 2
1 659 . 1 1 A 50 50 SER CA C 50 61.431 61.674 -0.243 2
1 660 . 1 1 A 50 50 SER CB C 50 62.672 62.949 -0.277 2
1 661 . 1 1 A 50 50 SER N N 50 114.354 116.024 -1.670 2
1 662 . 1 1 A 51 51 SER H H 51 8.300 8.199 0.101 2
1 663 . 1 1 A 51 51 SER HA H 51 4.681 4.337 0.344 2
1 666 . 1 1 A 51 51 SER C C 51 176.245 176.924 -0.680 2
1 667 . 1 1 A 51 51 SER CA C 51 63.327 61.902 1.425 2
1 668 . 1 1 A 51 51 SER CB C 51 64.340 63.193 1.147 2
1 669 . 1 1 A 51 51 SER N N 51 120.855 116.878 3.977 2
1 670 . 1 1 A 52 52 LEU H H 52 8.849 8.528 0.321 2
1 671 . 1 1 A 52 52 LEU HA H 52 3.902 3.992 -0.090 2
1 681 . 1 1 A 52 52 LEU C C 52 178.339 179.154 -0.815 2
1 682 . 1 1 A 52 52 LEU CA C 52 58.600 58.163 0.437 2
1 683 . 1 1 A 52 52 LEU CB C 52 41.685 41.590 0.095 2
1 687 . 1 1 A 52 52 LEU N N 52 122.627 121.844 0.783 2
1 688 . 1 1 A 53 53 LYS H H 53 7.268 8.051 -0.783 2
1 689 . 1 1 A 53 53 LYS HA H 53 3.957 4.013 -0.056 2
1 698 . 1 1 A 53 53 LYS C C 53 178.750 178.715 0.035 2
1 699 . 1 1 A 53 53 LYS CA C 53 59.867 59.095 0.772 2
1 700 . 1 1 A 53 53 LYS CB C 53 32.475 32.215 0.261 2
1 704 . 1 1 A 53 53 LYS N N 53 117.100 118.760 -1.660 2
1 705 . 1 1 A 54 54 PHE H H 54 7.388 8.148 -0.760 2
1 706 . 1 1 A 54 54 PHE HA H 54 4.167 4.115 0.052 2
1 714 . 1 1 A 54 54 PHE C C 54 178.975 177.060 1.915 2
1 715 . 1 1 A 54 54 PHE CA C 54 61.515 61.163 0.352 2
1 716 . 1 1 A 54 54 PHE CB C 54 39.619 39.185 0.434 2
1 722 . 1 1 A 54 54 PHE N N 54 117.704 121.054 -3.350 2
1 723 . 1 1 A 55 55 LEU H H 55 9.142 8.560 0.582 2
1 724 . 1 1 A 55 55 LEU HA H 55 3.720 3.815 -0.095 2
1 734 . 1 1 A 55 55 LEU C C 55 178.763 179.173 -0.410 2
1 735 . 1 1 A 55 55 LEU CA C 55 57.656 57.537 0.119 2
1 736 . 1 1 A 55 55 LEU CB C 55 42.837 41.270 1.567 2
1 740 . 1 1 A 55 55 LEU N N 55 120.396 118.774 1.622 2
1 741 . 1 1 A 56 56 ARG H H 56 8.338 8.282 0.056 2
1 742 . 1 1 A 56 56 ARG HA H 56 3.855 4.029 -0.174 2
1 750 . 1 1 A 56 56 ARG C C 56 176.697 178.012 -1.315 2
1 751 . 1 1 A 56 56 ARG CA C 56 59.452 58.886 0.566 2
1 752 . 1 1 A 56 56 ARG CB C 56 30.239 29.861 0.378 2
1 755 . 1 1 A 56 56 ARG N N 56 116.866 118.775 -1.909 2
1 757 . 1 1 A 57 57 LYS H H 57 6.770 7.724 -0.955 2
1 758 . 1 1 A 57 57 LYS HA H 57 4.542 4.234 0.308 2
1 767 . 1 1 A 57 57 LYS C C 57 176.148 176.201 -0.053 2
1 768 . 1 1 A 57 57 LYS CA C 57 55.545 57.622 -2.077 2
1 769 . 1 1 A 57 57 LYS CB C 57 33.805 33.027 0.778 2
1 773 . 1 1 A 57 57 LYS N N 57 113.205 117.193 -3.988 2
1 774 . 1 1 A 58 58 THR H H 58 6.908 7.568 -0.660 2
1 775 . 1 1 A 58 58 THR HA H 58 4.212 4.307 -0.095 2
1 780 . 1 1 A 58 58 THR C C 58 173.643 174.062 -0.419 2
1 781 . 1 1 A 58 58 THR CA C 58 60.688 61.295 -0.607 2
1 782 . 1 1 A 58 58 THR CB C 58 67.557 68.008 -0.451 2
1 784 . 1 1 A 58 58 THR N N 58 117.915 113.669 4.246 2
1 785 . 1 1 A 59 59 ASP H H 59 8.789 8.623 0.166 2
1 786 . 1 1 A 59 59 ASP HA H 59 4.128 4.209 -0.081 2
1 789 . 1 1 A 59 59 ASP C C 59 178.565 178.461 0.104 2
1 790 . 1 1 A 59 59 ASP CA C 59 58.506 57.460 1.046 2
1 791 . 1 1 A 59 59 ASP CB C 59 39.530 40.672 -1.142 2
1 792 . 1 1 A 59 59 ASP N N 59 128.511 126.465 2.046 2
1 793 . 1 1 A 60 60 TRP H H 60 8.638 8.364 0.274 2
1 794 . 1 1 A 60 60 TRP HA H 60 4.375 4.511 -0.136 2
1 803 . 1 1 A 60 60 TRP C C 60 178.277 178.620 -0.343 2
1 804 . 1 1 A 60 60 TRP CA C 60 59.183 59.983 -0.801 2
1 805 . 1 1 A 60 60 TRP CB C 60 26.962 27.978 -1.016 2
1 811 . 1 1 A 60 60 TRP N N 60 117.515 119.009 -1.494 2
1 813 . 1 1 A 61 61 ALA H H 61 5.533 7.414 -1.881 2
1 814 . 1 1 A 61 61 ALA HA H 61 3.414 3.688 -0.275 2
1 818 . 1 1 A 61 61 ALA C C 61 177.616 179.451 -1.835 2
1 819 . 1 1 A 61 61 ALA CA C 61 54.478 54.899 -0.421 2
1 820 . 1 1 A 61 61 ALA CB C 61 17.904 17.755 0.149 2
1 821 . 1 1 A 61 61 ALA N N 61 125.465 123.798 1.667 2
1 822 . 1 1 A 62 62 ARG H H 62 7.811 7.597 0.214 2
1 823 . 1 1 A 62 62 ARG HA H 62 3.617 3.987 -0.370 2
1 831 . 1 1 A 62 62 ARG C C 62 177.918 178.923 -1.005 2
1 832 . 1 1 A 62 62 ARG CA C 62 60.708 59.615 1.093 2
1 833 . 1 1 A 62 62 ARG CB C 62 29.156 29.934 -0.778 2
1 836 . 1 1 A 62 62 ARG N N 62 120.420 118.254 2.166 2
1 838 . 1 1 A 63 63 GLU H H 63 8.412 8.367 0.045 2
1 839 . 1 1 A 63 63 GLU HA H 63 4.041 4.085 -0.044 2
1 844 . 1 1 A 63 63 GLU C C 63 178.935 179.115 -0.180 2
1 845 . 1 1 A 63 63 GLU CA C 63 59.509 59.254 0.255 2
1 846 . 1 1 A 63 63 GLU CB C 63 28.759 29.225 -0.466 2
1 848 . 1 1 A 63 63 GLU N N 63 117.144 117.984 -0.840 2
1 849 . 1 1 A 64 64 ARG H H 64 7.603 7.823 -0.220 2
1 850 . 1 1 A 64 64 ARG HA H 64 4.256 4.118 0.138 2
1 858 . 1 1 A 64 64 ARG C C 64 179.133 178.610 0.523 2
1 859 . 1 1 A 64 64 ARG CA C 64 59.340 59.355 -0.015 2
1 860 . 1 1 A 64 64 ARG CB C 64 30.067 30.449 -0.382 2
1 863 . 1 1 A 64 64 ARG N N 64 118.298 119.808 -1.510 2
1 865 . 1 1 A 65 65 VAL H H 65 8.065 8.174 -0.109 2
1 866 . 1 1 A 65 65 VAL HA H 65 3.713 3.551 0.162 2
1 874 . 1 1 A 65 65 VAL C C 65 177.638 177.825 -0.187 2
1 875 . 1 1 A 65 65 VAL CA C 65 66.891 66.700 0.191 2
1 876 . 1 1 A 65 65 VAL CB C 65 31.480 31.573 -0.093 2
1 879 . 1 1 A 65 65 VAL N N 65 117.270 120.157 -2.887 2
1 880 . 1 1 A 66 66 GLU H H 66 8.583 8.620 -0.037 2
1 881 . 1 1 A 66 66 GLU HA H 66 3.912 3.995 -0.083 2
1 886 . 1 1 A 66 66 GLU C C 66 178.380 179.334 -0.954 2
1 887 . 1 1 A 66 66 GLU CA C 66 60.256 59.756 0.500 2
1 888 . 1 1 A 66 66 GLU CB C 66 28.691 29.165 -0.474 2
1 890 . 1 1 A 66 66 GLU N N 66 119.924 119.093 0.831 2
1 891 . 1 1 A 67 67 ASN H H 67 8.267 8.234 0.033 2
1 892 . 1 1 A 67 67 ASN HA H 67 4.567 4.522 0.045 2
1 897 . 1 1 A 67 67 ASN C C 67 178.338 177.949 0.389 2
1 898 . 1 1 A 67 67 ASN CA C 67 56.900 56.681 0.219 2
1 899 . 1 1 A 67 67 ASN CB C 67 38.802 39.256 -0.454 2
1 901 . 1 1 A 67 67 ASN N N 67 117.574 117.879 -0.305 2
1 903 . 1 1 A 68 68 ILE H H 68 8.132 7.782 0.350 2
1 904 . 1 1 A 68 68 ILE HA H 68 3.726 3.633 0.093 2
1 914 . 1 1 A 68 68 ILE C C 68 178.722 178.038 0.684 2
1 915 . 1 1 A 68 68 ILE CA C 68 65.388 65.365 0.023 2
1 916 . 1 1 A 68 68 ILE CB C 68 37.841 37.518 0.323 2
1 920 . 1 1 A 68 68 ILE N N 68 121.125 119.572 1.553 2
1 921 . 1 1 A 69 69 TYR H H 69 8.146 8.269 -0.123 2
1 922 . 1 1 A 69 69 TYR HA H 69 4.058 4.164 -0.106 2
1 929 . 1 1 A 69 69 TYR C C 69 177.061 177.404 -0.343 2
1 930 . 1 1 A 69 69 TYR CA C 69 62.828 61.538 1.290 2
1 931 . 1 1 A 69 69 TYR CB C 69 38.747 38.763 -0.016 2
1 936 . 1 1 A 69 69 TYR N N 69 121.378 121.515 -0.137 2
1 937 . 1 1 A 70 70 LEU H H 70 8.630 8.479 0.151 2
1 938 . 1 1 A 70 70 LEU HA H 70 3.875 3.847 0.028 2
1 948 . 1 1 A 70 70 LEU C C 70 179.755 179.425 0.330 2
1 949 . 1 1 A 70 70 LEU CA C 70 58.230 58.093 0.137 2
1 950 . 1 1 A 70 70 LEU CB C 70 41.733 41.411 0.322 2
1 954 . 1 1 A 70 70 LEU N N 70 120.179 119.731 0.448 2
1 955 . 1 1 A 71 71 LYS H H 71 7.950 8.200 -0.250 2
1 956 . 1 1 A 71 71 LYS HA H 71 3.957 3.996 -0.039 2
1 965 . 1 1 A 71 71 LYS C C 71 178.961 178.887 0.075 2
1 966 . 1 1 A 71 71 LYS CA C 71 59.684 59.624 0.060 2
1 967 . 1 1 A 71 71 LYS CB C 71 32.421 32.102 0.319 2
1 971 . 1 1 A 71 71 LYS N N 71 118.820 119.452 -0.632 2
1 972 . 1 1 A 72 72 LEU H H 72 7.731 7.958 -0.227 2
1 973 . 1 1 A 72 72 LEU HA H 72 4.037 4.131 -0.094 2
1 983 . 1 1 A 72 72 LEU C C 72 178.533 178.607 -0.074 2
1 984 . 1 1 A 72 72 LEU CA C 72 57.352 57.782 -0.430 2
1 985 . 1 1 A 72 72 LEU CB C 72 41.406 41.651 -0.245 2
1 989 . 1 1 A 72 72 LEU N N 72 121.367 121.147 0.220 2
1 990 . 1 1 A 73 73 GLN H H 73 7.884 8.088 -0.204 2
1 991 . 1 1 A 73 73 GLN HA H 73 3.852 3.883 -0.031 2
1 998 . 1 1 A 73 73 GLN C C 73 177.679 178.501 -0.822 2
1 999 . 1 1 A 73 73 GLN CA C 73 57.026 58.938 -1.912 2
1 1000 . 1 1 A 73 73 GLN CB C 73 28.148 28.113 0.035 2
1 1003 . 1 1 A 73 73 GLN N N 73 116.639 118.011 -1.372 2
1 1005 . 1 1 A 74 74 ARG H H 74 7.725 7.996 -0.271 2
1 1006 . 1 1 A 74 74 ARG HA H 74 4.136 4.113 0.023 2
1 1013 . 1 1 A 74 74 ARG C C 74 177.235 177.986 -0.751 2
1 1014 . 1 1 A 74 74 ARG CA C 74 57.452 58.344 -0.892 2
1 1015 . 1 1 A 74 74 ARG CB C 74 30.308 29.789 0.519 2
1 1018 . 1 1 A 74 74 ARG N N 74 118.122 118.984 -0.862 2
1 1019 . 1 1 A 75 75 HIS H H 75 7.982 7.991 -0.009 2
1 1020 . 1 1 A 75 75 HIS HA H 75 4.564 4.367 0.197 2
1 1023 . 1 1 A 75 75 HIS C C 75 175.202 175.430 -0.228 2
1 1024 . 1 1 A 75 75 HIS CA C 75 56.587 57.790 -1.203 2
1 1025 . 1 1 A 75 75 HIS CB C 75 28.477 30.535 -2.058 2
1 1026 . 1 1 A 75 75 HIS N N 75 117.995 119.109 -1.114 2
1 1027 . 1 1 A 76 76 LYS H H 76 8.180 7.558 0.622 2
1 1028 . 1 1 A 76 76 LYS HA H 76 4.148 4.144 0.004 2
1 1037 . 1 1 A 76 76 LYS C C 76 177.303 176.261 1.042 2
1 1038 . 1 1 A 76 76 LYS CA C 76 57.550 55.906 1.644 2
1 1039 . 1 1 A 76 76 LYS CB C 76 32.789 32.314 0.475 2
1 1043 . 1 1 A 76 76 LYS N N 76 121.510 119.566 1.944 2
1 1044 . 1 1 A 77 77 GLU H H 77 8.321 8.399 -0.078 2
1 1045 . 1 1 A 77 77 GLU HA H 77 4.224 4.253 -0.029 2
1 1050 . 1 1 A 77 77 GLU C C 77 177.067 176.624 0.443 2
1 1051 . 1 1 A 77 77 GLU CA C 77 56.991 57.179 -0.188 2
1 1052 . 1 1 A 77 77 GLU CB C 77 29.841 29.778 0.063 2
1 1054 . 1 1 A 77 77 GLU N N 77 120.860 124.817 -3.957 2
1 1055 . 1 1 A 78 78 ARG H H 78 8.228 8.146 0.082 2
1 1056 . 1 1 A 78 78 ARG HA H 78 4.240 4.462 -0.222 2
1 1063 . 1 1 A 78 78 ARG C C 78 176.577 175.715 0.862 2
1 1064 . 1 1 A 78 78 ARG CA C 78 56.786 55.835 0.951 2
1 1065 . 1 1 A 78 78 ARG CB C 78 30.413 31.057 -0.644 2
1 1068 . 1 1 A 78 78 ARG N N 78 121.081 121.805 -0.724 2
1 1069 . 1 1 A 79 79 ASN H H 79 8.333 8.543 -0.210 2
1 1070 . 1 1 A 79 79 ASN HA H 79 4.617 4.860 -0.243 2
1 1075 . 1 1 A 79 79 ASN C C 79 175.605 174.969 0.636 2
1 1076 . 1 1 A 79 79 ASN CA C 79 53.938 53.147 0.791 2
1 1077 . 1 1 A 79 79 ASN CB C 79 38.748 39.648 -0.900 2
1 1079 . 1 1 A 79 79 ASN N N 79 118.880 122.014 -3.134 2
1 1081 . 1 1 A 80 80 GLN H H 80 8.285 8.570 -0.285 2
1 1082 . 1 1 A 80 80 GLN HA H 80 4.253 4.623 -0.370 2
1 1089 . 1 1 A 80 80 GLN C C 80 176.304 174.919 1.385 2
1 1090 . 1 1 A 80 80 GLN CA C 80 56.545 55.301 1.244 2
1 1091 . 1 1 A 80 80 GLN CB C 80 29.274 30.726 -1.452 2
1 1094 . 1 1 A 80 80 GLN N N 80 120.222 121.189 -0.966 2
1 1096 . 1 1 A 81 81 LEU H H 81 8.130 8.419 -0.289 2
1 1097 . 1 1 A 81 81 LEU HA H 81 4.222 4.563 -0.341 2
1 1107 . 1 1 A 81 81 LEU C C 81 177.542 176.661 0.881 2
1 1108 . 1 1 A 81 81 LEU CA C 81 55.736 54.188 1.548 2
1 1109 . 1 1 A 81 81 LEU CB C 81 42.196 42.962 -0.766 2
1 1113 . 1 1 A 81 81 LEU N N 81 122.119 122.379 -0.260 2
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