data_10159_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10159 _Entry.PDB_ID 2EE9 _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 SER CA C 2 58.268 57.337 0.931 1 1 2 . 1 1 1 A 2 2 SER CB C 2 63.729 66.344 -2.615 1 1 3 . 1 1 1 A 2 2 SER C C 2 174.818 173.056 1.762 1 1 4 . 1 1 1 A 3 3 SER CA C 3 58.693 59.462 -0.769 1 1 5 . 1 1 1 A 3 3 SER CB C 3 63.906 63.216 0.690 1 1 6 . 1 1 1 A 3 3 SER C C 3 174.981 174.494 0.487 1 1 7 . 1 1 1 A 5 5 SER C C 5 178.688 173.885 4.803 1 1 8 . 1 1 1 A 6 6 SER CA C 6 58.453 57.150 1.303 1 1 9 . 1 1 1 A 6 6 SER HA H 6 4.502 5.066 -0.564 1 1 10 . 1 1 1 A 6 6 SER CB C 6 63.956 63.808 0.148 1 1 13 . 1 1 1 A 7 7 GLY N N 7 110.931 111.145 -0.214 1 1 14 . 1 1 1 A 7 7 GLY H H 7 8.436 8.460 -0.024 1 1 15 . 1 1 1 A 7 7 GLY CA C 7 45.357 45.934 -0.577 1 1 16 . 1 1 1 A 7 7 GLY HA3 H 7 3.979 4.006 -0.027 1 1 17 . 1 1 1 A 7 7 GLY C C 7 174.128 173.914 0.214 1 1 18 . 1 1 1 A 7 7 GLY HA2 H 7 3.979 4.005 -0.026 1 1 19 . 1 1 1 A 8 8 VAL N N 8 119.070 121.239 -2.169 1 1 20 . 1 1 1 A 8 8 VAL H H 8 8.006 7.899 0.107 1 1 21 . 1 1 1 A 8 8 VAL CA C 8 62.332 62.612 -0.280 1 1 22 . 1 1 1 A 8 8 VAL HA H 8 4.180 4.021 0.159 1 1 23 . 1 1 1 A 8 8 VAL CB C 8 32.819 32.629 0.190 1 1 33 . 1 1 1 A 8 8 VAL C C 8 176.359 174.862 1.497 1 1 34 . 1 1 1 A 9 9 SER N N 9 119.223 124.885 -5.662 1 1 35 . 1 1 1 A 9 9 SER H H 9 8.418 8.745 -0.327 1 1 36 . 1 1 1 A 9 9 SER CA C 9 58.392 57.109 1.283 1 1 37 . 1 1 1 A 9 9 SER HA H 9 4.469 4.692 -0.223 1 1 38 . 1 1 1 A 9 9 SER CB C 9 63.948 65.584 -1.636 1 1 40 . 1 1 1 A 9 9 SER C C 9 174.256 174.842 -0.586 1 1 42 . 1 1 1 A 10 10 ASP N N 10 122.453 123.516 -1.063 1 1 43 . 1 1 1 A 10 10 ASP H H 10 8.311 8.925 -0.614 1 1 44 . 1 1 1 A 10 10 ASP CA C 10 54.450 57.275 -2.825 1 1 45 . 1 1 1 A 10 10 ASP HA H 10 4.592 4.261 0.331 1 1 46 . 1 1 1 A 10 10 ASP CB C 10 41.174 41.234 -0.060 1 1 48 . 1 1 1 A 10 10 ASP C C 10 176.480 177.926 -1.446 1 1 50 . 1 1 1 A 11 11 MET N N 11 120.428 117.927 2.501 1 1 51 . 1 1 1 A 11 11 MET H H 11 8.340 7.914 0.426 1 1 52 . 1 1 1 A 11 11 MET CA C 11 55.757 58.384 -2.627 1 1 53 . 1 1 1 A 11 11 MET HA H 11 4.418 4.203 0.215 1 1 54 . 1 1 1 A 11 11 MET CB C 11 32.457 33.014 -0.557 1 1 62 . 1 1 1 A 11 11 MET C C 11 176.391 176.194 0.197 1 1 65 . 1 1 1 A 12 12 ASN N N 12 118.914 112.817 6.097 1 1 66 . 1 1 1 A 12 12 ASN H H 12 8.416 7.558 0.858 1 1 67 . 1 1 1 A 12 12 ASN CA C 12 53.687 52.551 1.136 1 1 68 . 1 1 1 A 12 12 ASN HA H 12 4.660 5.063 -0.403 1 1 69 . 1 1 1 A 12 12 ASN CB C 12 38.924 41.717 -2.793 1 1 74 . 1 1 1 A 12 12 ASN C C 12 175.770 174.119 1.651 1 1 76 . 1 1 1 A 13 13 GLY N N 13 108.888 108.731 0.157 1 1 77 . 1 1 1 A 13 13 GLY H H 13 8.317 8.408 -0.091 1 1 78 . 1 1 1 A 13 13 GLY CA C 13 45.658 46.177 -0.519 1 1 79 . 1 1 1 A 13 13 GLY HA3 H 13 3.920 4.217 -0.297 1 1 80 . 1 1 1 A 13 13 GLY C C 13 174.275 172.077 2.198 1 1 81 . 1 1 1 A 13 13 GLY HA2 H 13 3.920 4.213 -0.293 1 1 82 . 1 1 1 A 14 14 LEU N N 14 120.990 119.853 1.137 1 1 83 . 1 1 1 A 14 14 LEU H H 14 8.015 8.068 -0.053 1 1 84 . 1 1 1 A 14 14 LEU CA C 14 55.074 53.645 1.429 1 1 85 . 1 1 1 A 14 14 LEU HA H 14 4.283 4.600 -0.317 1 1 86 . 1 1 1 A 14 14 LEU CB C 14 42.572 42.015 0.557 1 1 98 . 1 1 1 A 14 14 LEU C C 14 177.365 176.245 1.120 1 1 100 . 1 1 1 A 15 15 GLY N N 15 107.853 113.232 -5.379 1 1 101 . 1 1 1 A 15 15 GLY H H 15 8.198 8.640 -0.442 1 1 102 . 1 1 1 A 15 15 GLY CA C 15 44.968 45.846 -0.878 1 1 103 . 1 1 1 A 15 15 GLY HA3 H 15 3.823 4.000 -0.177 1 1 104 . 1 1 1 A 15 15 GLY C C 15 173.829 174.174 -0.345 1 1 105 . 1 1 1 A 15 15 GLY HA2 H 15 3.783 3.902 -0.119 1 1 106 . 1 1 1 A 16 16 PHE N N 16 118.501 118.436 0.065 1 1 107 . 1 1 1 A 16 16 PHE H H 16 7.868 8.390 -0.522 1 1 108 . 1 1 1 A 16 16 PHE CA C 16 57.837 57.919 -0.082 1 1 109 . 1 1 1 A 16 16 PHE HA H 16 4.442 4.563 -0.121 1 1 110 . 1 1 1 A 16 16 PHE CB C 16 40.278 40.639 -0.361 1 1 122 . 1 1 1 A 16 16 PHE C C 16 176.569 175.765 0.804 1 1 124 . 1 1 1 A 17 17 LYS N N 17 126.087 122.573 3.514 1 1 125 . 1 1 1 A 17 17 LYS H H 17 8.611 8.306 0.305 1 1 126 . 1 1 1 A 17 17 LYS CA C 17 54.271 54.745 -0.474 1 1 127 . 1 1 1 A 17 17 LYS HA H 17 4.573 4.295 0.278 1 1 128 . 1 1 1 A 17 17 LYS CB C 17 32.818 33.081 -0.263 1 1 136 . 1 1 1 A 17 17 LYS C C 17 174.147 175.347 -1.200 1 1 141 . 1 1 1 A 18 18 PRO CA C 18 62.850 62.592 0.258 1 1 142 . 1 1 1 A 18 18 PRO HA H 18 4.647 4.756 -0.109 1 1 143 . 1 1 1 A 18 18 PRO CB C 18 31.990 32.851 -0.861 1 1 149 . 1 1 1 A 18 18 PRO C C 18 176.220 175.632 0.588 1 1 153 . 1 1 1 A 19 19 PHE N N 19 123.581 123.140 0.441 1 1 154 . 1 1 1 A 19 19 PHE H H 19 8.905 8.590 0.315 1 1 155 . 1 1 1 A 19 19 PHE CA C 19 57.402 56.932 0.470 1 1 156 . 1 1 1 A 19 19 PHE HA H 19 4.502 4.918 -0.416 1 1 157 . 1 1 1 A 19 19 PHE CB C 19 41.432 41.226 0.206 1 1 169 . 1 1 1 A 19 19 PHE C C 19 173.078 172.944 0.134 1 1 171 . 1 1 1 A 20 20 ASP N N 20 126.229 127.923 -1.694 1 1 172 . 1 1 1 A 20 20 ASP H H 20 7.412 8.925 -1.513 1 1 173 . 1 1 1 A 20 20 ASP CA C 20 52.686 53.022 -0.336 1 1 174 . 1 1 1 A 20 20 ASP HA H 20 5.248 4.859 0.389 1 1 175 . 1 1 1 A 20 20 ASP CB C 20 44.081 42.461 1.620 1 1 177 . 1 1 1 A 20 20 ASP C C 20 174.098 174.611 -0.513 1 1 179 . 1 1 1 A 21 21 LEU N N 21 123.421 124.210 -0.789 1 1 180 . 1 1 1 A 21 21 LEU H H 21 8.641 8.070 0.571 1 1 181 . 1 1 1 A 21 21 LEU CA C 21 54.201 53.824 0.377 1 1 182 . 1 1 1 A 21 21 LEU HA H 21 4.367 4.774 -0.407 1 1 183 . 1 1 1 A 21 21 LEU CB C 21 46.118 46.183 -0.065 1 1 195 . 1 1 1 A 21 21 LEU C C 21 174.294 173.739 0.555 1 1 197 . 1 1 1 A 22 22 VAL N N 22 127.339 123.225 4.114 1 1 198 . 1 1 1 A 22 22 VAL H H 22 8.451 9.036 -0.585 1 1 199 . 1 1 1 A 22 22 VAL CA C 22 61.986 60.073 1.913 1 1 200 . 1 1 1 A 22 22 VAL HA H 22 4.572 4.768 -0.196 1 1 201 . 1 1 1 A 22 22 VAL CB C 22 32.276 34.559 -2.283 1 1 211 . 1 1 1 A 22 22 VAL C C 22 176.066 175.036 1.030 1 1 212 . 1 1 1 A 23 23 ILE N N 23 128.645 129.326 -0.681 1 1 213 . 1 1 1 A 23 23 ILE H H 23 8.998 8.413 0.585 1 1 214 . 1 1 1 A 23 23 ILE CA C 23 57.193 60.379 -3.186 1 1 215 . 1 1 1 A 23 23 ILE HA H 23 4.489 4.066 0.423 1 1 216 . 1 1 1 A 23 23 ILE CB C 23 38.455 37.363 1.092 1 1 228 . 1 1 1 A 23 23 ILE C C 23 175.434 176.399 -0.965 1 1 230 . 1 1 1 A 24 24 PRO CA C 24 63.319 65.487 -2.168 1 1 231 . 1 1 1 A 24 24 PRO HA H 24 4.600 4.352 0.248 1 1 232 . 1 1 1 A 24 24 PRO CB C 24 30.324 31.942 -1.618 1 1 238 . 1 1 1 A 24 24 PRO C C 24 174.946 176.709 -1.763 1 1 242 . 1 1 1 A 25 25 PHE N N 25 121.530 114.697 6.833 1 1 243 . 1 1 1 A 25 25 PHE H H 25 7.582 7.892 -0.310 1 1 244 . 1 1 1 A 25 25 PHE CA C 25 56.635 56.137 0.498 1 1 245 . 1 1 1 A 25 25 PHE HA H 25 4.552 4.566 -0.014 1 1 246 . 1 1 1 A 25 25 PHE CB C 25 40.977 40.538 0.439 1 1 258 . 1 1 1 A 25 25 PHE C C 25 172.831 175.000 -2.169 1 1 260 . 1 1 1 A 26 26 ALA N N 26 124.526 122.804 1.722 1 1 261 . 1 1 1 A 26 26 ALA H H 26 7.993 8.726 -0.733 1 1 262 . 1 1 1 A 26 26 ALA CA C 26 52.074 50.679 1.395 1 1 263 . 1 1 1 A 26 26 ALA HA H 26 4.221 4.805 -0.584 1 1 264 . 1 1 1 A 26 26 ALA CB C 26 18.862 20.653 -1.791 1 1 268 . 1 1 1 A 26 26 ALA C C 26 176.973 176.471 0.502 1 1 269 . 1 1 1 A 27 27 VAL N N 27 118.422 121.470 -3.048 1 1 270 . 1 1 1 A 27 27 VAL H H 27 8.046 8.446 -0.400 1 1 271 . 1 1 1 A 27 27 VAL CA C 27 61.375 59.312 2.063 1 1 272 . 1 1 1 A 27 27 VAL HA H 27 4.248 4.758 -0.510 1 1 273 . 1 1 1 A 27 27 VAL CB C 27 34.179 35.344 -1.165 1 1 283 . 1 1 1 A 27 27 VAL C C 27 175.445 173.854 1.591 1 1 284 . 1 1 1 A 28 28 ARG N N 28 122.785 125.809 -3.024 1 1 285 . 1 1 1 A 28 28 ARG H H 28 8.275 8.564 -0.289 1 1 286 . 1 1 1 A 28 28 ARG CA C 28 55.407 54.395 1.012 1 1 287 . 1 1 1 A 28 28 ARG HA H 28 4.473 4.802 -0.329 1 1 288 . 1 1 1 A 28 28 ARG CB C 28 31.087 32.055 -0.968 1 1 294 . 1 1 1 A 28 28 ARG C C 28 176.528 175.744 0.784 1 1 298 . 1 1 1 A 29 29 LYS N N 29 121.704 125.715 -4.011 1 1 299 . 1 1 1 A 29 29 LYS H H 29 8.484 8.587 -0.103 1 1 300 . 1 1 1 A 29 29 LYS CA C 29 57.888 56.797 1.091 1 1 301 . 1 1 1 A 29 29 LYS HA H 29 4.170 4.082 0.088 1 1 302 . 1 1 1 A 29 29 LYS CB C 29 32.564 32.387 0.177 1 1 310 . 1 1 1 A 29 29 LYS C C 29 177.124 176.250 0.874 1 1 315 . 1 1 1 A 30 30 GLY N N 30 109.946 109.377 0.569 1 1 316 . 1 1 1 A 30 30 GLY H H 30 8.546 8.507 0.039 1 1 317 . 1 1 1 A 30 30 GLY CA C 30 45.408 46.217 -0.809 1 1 318 . 1 1 1 A 30 30 GLY HA3 H 30 4.060 4.203 -0.143 1 1 319 . 1 1 1 A 30 30 GLY C C 30 173.961 174.158 -0.197 1 1 320 . 1 1 1 A 30 30 GLY HA2 H 30 3.981 4.185 -0.204 1 1 321 . 1 1 1 A 31 31 GLU N N 31 118.290 124.844 -6.554 1 1 322 . 1 1 1 A 31 31 GLU H H 31 8.088 8.768 -0.680 1 1 323 . 1 1 1 A 31 31 GLU CA C 31 56.979 56.477 0.502 1 1 324 . 1 1 1 A 31 31 GLU HA H 31 4.418 4.445 -0.027 1 1 325 . 1 1 1 A 31 31 GLU CB C 31 31.108 30.321 0.787 1 1 329 . 1 1 1 A 31 31 GLU C C 31 176.184 175.191 0.993 1 1 332 . 1 1 1 A 32 32 ILE N N 32 121.780 122.076 -0.296 1 1 333 . 1 1 1 A 32 32 ILE H H 32 8.155 7.513 0.642 1 1 334 . 1 1 1 A 32 32 ILE CA C 32 58.252 59.180 -0.928 1 1 335 . 1 1 1 A 32 32 ILE HA H 32 5.409 5.209 0.200 1 1 336 . 1 1 1 A 32 32 ILE CB C 32 39.008 42.237 -3.229 1 1 348 . 1 1 1 A 32 32 ILE C C 32 175.262 174.323 0.939 1 1 350 . 1 1 1 A 33 33 THR N N 33 117.063 116.025 1.038 1 1 351 . 1 1 1 A 33 33 THR H H 33 8.906 8.602 0.304 1 1 352 . 1 1 1 A 33 33 THR CA C 33 59.591 60.041 -0.450 1 1 353 . 1 1 1 A 33 33 THR HA H 33 4.707 5.236 -0.529 1 1 354 . 1 1 1 A 33 33 THR CB C 33 72.003 72.008 -0.005 1 1 360 . 1 1 1 A 33 33 THR C C 33 173.146 172.630 0.516 1 1 361 . 1 1 1 A 34 34 GLY N N 34 106.583 108.321 -1.738 1 1 362 . 1 1 1 A 34 34 GLY H H 34 8.603 8.460 0.143 1 1 363 . 1 1 1 A 34 34 GLY CA C 34 45.032 44.694 0.338 1 1 364 . 1 1 1 A 34 34 GLY HA3 H 34 3.424 4.481 -1.057 1 1 365 . 1 1 1 A 34 34 GLY C C 34 172.260 172.276 -0.016 1 1 366 . 1 1 1 A 34 34 GLY HA2 H 34 5.351 4.472 0.879 1 1 367 . 1 1 1 A 35 35 GLU N N 35 118.818 121.192 -2.374 1 1 368 . 1 1 1 A 35 35 GLU H H 35 8.756 8.794 -0.038 1 1 369 . 1 1 1 A 35 35 GLU CA C 35 56.375 55.114 1.261 1 1 370 . 1 1 1 A 35 35 GLU HA H 35 4.739 5.080 -0.341 1 1 371 . 1 1 1 A 35 35 GLU CB C 35 34.673 33.780 0.893 1 1 375 . 1 1 1 A 35 35 GLU C C 35 173.645 174.689 -1.044 1 1 378 . 1 1 1 A 36 36 VAL N N 36 124.835 124.263 0.572 1 1 379 . 1 1 1 A 36 36 VAL H H 36 9.291 8.985 0.306 1 1 380 . 1 1 1 A 36 36 VAL CA C 36 60.780 61.009 -0.229 1 1 381 . 1 1 1 A 36 36 VAL HA H 36 4.751 4.945 -0.194 1 1 382 . 1 1 1 A 36 36 VAL CB C 36 33.990 34.912 -0.922 1 1 392 . 1 1 1 A 36 36 VAL C C 36 174.137 174.591 -0.454 1 1 393 . 1 1 1 A 37 37 HIS N N 37 126.324 125.697 0.627 1 1 394 . 1 1 1 A 37 37 HIS H H 37 9.294 9.376 -0.082 1 1 395 . 1 1 1 A 37 37 HIS CA C 37 54.625 54.657 -0.032 1 1 396 . 1 1 1 A 37 37 HIS HA H 37 4.751 5.092 -0.341 1 1 397 . 1 1 1 A 37 37 HIS CB C 37 30.676 31.112 -0.436 1 1 403 . 1 1 1 A 37 37 HIS C C 37 174.317 174.523 -0.206 1 1 405 . 1 1 1 A 38 38 MET N N 38 122.552 124.372 -1.820 1 1 406 . 1 1 1 A 38 38 MET H H 38 8.303 8.978 -0.675 1 1 407 . 1 1 1 A 38 38 MET CA C 38 54.086 54.924 -0.838 1 1 408 . 1 1 1 A 38 38 MET HA H 38 4.089 4.323 -0.234 1 1 409 . 1 1 1 A 38 38 MET CB C 38 32.900 32.210 0.690 1 1 417 . 1 1 1 A 38 38 MET C C 38 174.851 175.961 -1.110 1 1 420 . 1 1 1 A 39 39 PRO CA C 39 65.874 64.109 1.765 1 1 421 . 1 1 1 A 39 39 PRO HA H 39 4.156 4.293 -0.137 1 1 422 . 1 1 1 A 39 39 PRO CB C 39 31.312 31.763 -0.451 1 1 428 . 1 1 1 A 39 39 PRO C C 39 178.047 177.879 0.168 1 1 432 . 1 1 1 A 40 40 SER N N 40 111.214 111.573 -0.359 1 1 433 . 1 1 1 A 40 40 SER H H 40 8.759 7.764 0.995 1 1 434 . 1 1 1 A 40 40 SER CA C 40 59.667 58.930 0.737 1 1 435 . 1 1 1 A 40 40 SER HA H 40 4.089 4.443 -0.354 1 1 436 . 1 1 1 A 40 40 SER CB C 40 62.726 63.236 -0.510 1 1 438 . 1 1 1 A 40 40 SER C C 40 176.300 174.580 1.720 1 1 440 . 1 1 1 A 41 41 GLY N N 41 111.180 108.542 2.638 1 1 441 . 1 1 1 A 41 41 GLY H H 41 8.293 7.704 0.589 1 1 442 . 1 1 1 A 41 41 GLY CA C 41 44.624 45.053 -0.429 1 1 443 . 1 1 1 A 41 41 GLY HA3 H 41 3.620 4.029 -0.409 1 1 444 . 1 1 1 A 41 41 GLY C C 41 174.516 173.883 0.633 1 1 445 . 1 1 1 A 41 41 GLY HA2 H 41 4.447 4.027 0.420 1 1 446 . 1 1 1 A 42 42 LYS N N 42 120.452 119.454 0.998 1 1 447 . 1 1 1 A 42 42 LYS H H 42 7.038 7.792 -0.754 1 1 448 . 1 1 1 A 42 42 LYS CA C 42 56.944 54.228 2.716 1 1 449 . 1 1 1 A 42 42 LYS HA H 42 4.286 4.699 -0.413 1 1 450 . 1 1 1 A 42 42 LYS CB C 42 33.719 34.747 -1.028 1 1 457 . 1 1 1 A 42 42 LYS C C 42 175.050 175.052 -0.002 1 1 462 . 1 1 1 A 43 43 THR N N 43 111.705 111.756 -0.051 1 1 463 . 1 1 1 A 43 43 THR H H 43 8.110 8.925 -0.815 1 1 464 . 1 1 1 A 43 43 THR CA C 43 59.653 59.649 0.004 1 1 465 . 1 1 1 A 43 43 THR HA H 43 5.450 5.276 0.174 1 1 466 . 1 1 1 A 43 43 THR CB C 43 71.842 72.200 -0.358 1 1 472 . 1 1 1 A 43 43 THR C C 43 174.054 173.029 1.025 1 1 473 . 1 1 1 A 44 44 ALA N N 44 123.338 121.896 1.442 1 1 474 . 1 1 1 A 44 44 ALA H H 44 8.683 8.475 0.208 1 1 475 . 1 1 1 A 44 44 ALA CA C 44 50.752 51.570 -0.818 1 1 476 . 1 1 1 A 44 44 ALA HA H 44 4.798 4.888 -0.090 1 1 477 . 1 1 1 A 44 44 ALA CB C 44 24.091 23.092 0.999 1 1 481 . 1 1 1 A 44 44 ALA C C 44 175.947 175.833 0.114 1 1 482 . 1 1 1 A 45 45 THR N N 45 117.733 109.788 7.945 1 1 483 . 1 1 1 A 45 45 THR H H 45 8.934 8.465 0.469 1 1 484 . 1 1 1 A 45 45 THR CA C 45 59.517 59.172 0.345 1 1 485 . 1 1 1 A 45 45 THR HA H 45 4.894 4.871 0.023 1 1 486 . 1 1 1 A 45 45 THR CB C 45 70.403 69.653 0.750 1 1 492 . 1 1 1 A 45 45 THR C C 45 173.394 173.842 -0.448 1 1 493 . 1 1 1 A 46 46 PRO CA C 46 62.017 62.305 -0.288 1 1 494 . 1 1 1 A 46 46 PRO HA H 46 4.978 4.773 0.205 1 1 495 . 1 1 1 A 46 46 PRO CB C 46 32.885 33.201 -0.316 1 1 501 . 1 1 1 A 46 46 PRO C C 46 173.937 175.673 -1.736 1 1 505 . 1 1 1 A 47 47 GLU N N 47 120.450 120.675 -0.225 1 1 506 . 1 1 1 A 47 47 GLU H H 47 8.894 8.563 0.331 1 1 507 . 1 1 1 A 47 47 GLU CA C 47 56.040 55.217 0.823 1 1 508 . 1 1 1 A 47 47 GLU HA H 47 4.409 4.726 -0.317 1 1 509 . 1 1 1 A 47 47 GLU CB C 47 31.436 31.600 -0.164 1 1 513 . 1 1 1 A 47 47 GLU C C 47 175.160 175.036 0.124 1 1 516 . 1 1 1 A 48 48 ILE N N 48 124.818 128.040 -3.222 1 1 517 . 1 1 1 A 48 48 ILE H H 48 8.467 8.849 -0.382 1 1 518 . 1 1 1 A 48 48 ILE CA C 48 60.408 60.102 0.306 1 1 519 . 1 1 1 A 48 48 ILE HA H 48 4.727 4.530 0.197 1 1 520 . 1 1 1 A 48 48 ILE CB C 48 38.177 36.623 1.554 1 1 532 . 1 1 1 A 48 48 ILE C C 48 175.681 175.015 0.666 1 1 534 . 1 1 1 A 49 49 VAL N N 49 129.411 127.870 1.541 1 1 535 . 1 1 1 A 49 49 VAL H H 49 9.417 8.519 0.898 1 1 536 . 1 1 1 A 49 49 VAL CA C 49 61.259 60.974 0.285 1 1 537 . 1 1 1 A 49 49 VAL HA H 49 4.188 4.515 -0.327 1 1 538 . 1 1 1 A 49 49 VAL CB C 49 34.719 34.504 0.215 1 1 548 . 1 1 1 A 49 49 VAL C C 49 174.654 174.285 0.369 1 1 549 . 1 1 1 A 50 50 ASP N N 50 125.078 128.090 -3.012 1 1 550 . 1 1 1 A 50 50 ASP H H 50 8.664 8.659 0.005 1 1 551 . 1 1 1 A 50 50 ASP CA C 50 53.899 52.952 0.947 1 1 552 . 1 1 1 A 50 50 ASP HA H 50 4.683 4.946 -0.263 1 1 553 . 1 1 1 A 50 50 ASP CB C 50 41.270 40.899 0.371 1 1 555 . 1 1 1 A 50 50 ASP C C 50 176.440 176.201 0.239 1 1 557 . 1 1 1 A 51 51 ASN N N 51 123.926 125.663 -1.737 1 1 558 . 1 1 1 A 51 51 ASN H H 51 8.212 8.803 -0.591 1 1 559 . 1 1 1 A 51 51 ASN CA C 51 53.917 53.655 0.262 1 1 560 . 1 1 1 A 51 51 ASN HA H 51 4.703 4.634 0.069 1 1 561 . 1 1 1 A 51 51 ASN CB C 51 38.667 39.487 -0.820 1 1 566 . 1 1 1 A 51 51 ASN C C 51 176.260 176.278 -0.018 1 1 568 . 1 1 1 A 52 52 LYS N N 52 115.640 123.681 -8.041 1 1 569 . 1 1 1 A 52 52 LYS H H 52 9.145 8.684 0.461 1 1 570 . 1 1 1 A 52 52 LYS CA C 52 58.127 57.054 1.073 1 1 571 . 1 1 1 A 52 52 LYS HA H 52 4.040 4.327 -0.287 1 1 572 . 1 1 1 A 52 52 LYS CB C 52 29.405 32.661 -3.256 1 1 580 . 1 1 1 A 52 52 LYS C C 52 175.471 177.738 -2.267 1 1 585 . 1 1 1 A 53 53 ASP N N 53 117.607 118.239 -0.632 1 1 586 . 1 1 1 A 53 53 ASP H H 53 7.824 7.835 -0.011 1 1 587 . 1 1 1 A 53 53 ASP CA C 53 52.598 53.996 -1.398 1 1 588 . 1 1 1 A 53 53 ASP HA H 53 4.690 4.722 -0.032 1 1 589 . 1 1 1 A 53 53 ASP CB C 53 40.929 42.213 -1.284 1 1 591 . 1 1 1 A 53 53 ASP C C 53 177.173 175.992 1.181 1 1 593 . 1 1 1 A 54 54 GLY N N 54 108.692 105.754 2.938 1 1 594 . 1 1 1 A 54 54 GLY H H 54 8.548 7.831 0.717 1 1 595 . 1 1 1 A 54 54 GLY CA C 54 45.161 45.049 0.112 1 1 596 . 1 1 1 A 54 54 GLY HA3 H 54 3.653 4.017 -0.364 1 1 597 . 1 1 1 A 54 54 GLY C C 54 173.737 174.367 -0.630 1 1 598 . 1 1 1 A 54 54 GLY HA2 H 54 4.372 4.016 0.356 1 1 599 . 1 1 1 A 55 55 THR N N 55 110.165 112.818 -2.653 1 1 600 . 1 1 1 A 55 55 THR H H 55 7.929 7.749 0.180 1 1 601 . 1 1 1 A 55 55 THR CA C 55 60.412 60.784 -0.372 1 1 602 . 1 1 1 A 55 55 THR HA H 55 5.100 4.652 0.448 1 1 603 . 1 1 1 A 55 55 THR CB C 55 73.027 71.077 1.950 1 1 609 . 1 1 1 A 55 55 THR C C 55 174.206 173.446 0.760 1 1 610 . 1 1 1 A 56 56 VAL N N 56 115.822 120.210 -4.388 1 1 611 . 1 1 1 A 56 56 VAL H H 56 8.581 8.426 0.155 1 1 612 . 1 1 1 A 56 56 VAL CA C 56 59.608 59.869 -0.261 1 1 613 . 1 1 1 A 56 56 VAL HA H 56 5.132 5.150 -0.018 1 1 614 . 1 1 1 A 56 56 VAL CB C 56 35.607 34.997 0.610 1 1 624 . 1 1 1 A 56 56 VAL C C 56 174.437 174.943 -0.506 1 1 625 . 1 1 1 A 57 57 THR N N 57 120.574 121.847 -1.273 1 1 626 . 1 1 1 A 57 57 THR H H 57 9.151 8.860 0.291 1 1 627 . 1 1 1 A 57 57 THR CA C 57 61.543 61.506 0.037 1 1 628 . 1 1 1 A 57 57 THR HA H 57 5.021 5.093 -0.072 1 1 629 . 1 1 1 A 57 57 THR CB C 57 71.080 70.850 0.230 1 1 635 . 1 1 1 A 57 57 THR C C 57 173.190 173.480 -0.290 1 1 636 . 1 1 1 A 58 58 VAL N N 58 127.832 127.743 0.089 1 1 637 . 1 1 1 A 58 58 VAL H H 58 9.296 8.828 0.468 1 1 638 . 1 1 1 A 58 58 VAL CA C 58 61.204 62.643 -1.439 1 1 639 . 1 1 1 A 58 58 VAL HA H 58 4.774 4.503 0.271 1 1 640 . 1 1 1 A 58 58 VAL CB C 58 32.626 31.044 1.582 1 1 650 . 1 1 1 A 58 58 VAL C C 58 173.991 174.674 -0.683 1 1 651 . 1 1 1 A 59 59 ARG N N 59 126.761 129.214 -2.453 1 1 652 . 1 1 1 A 59 59 ARG H H 59 9.190 8.683 0.507 1 1 653 . 1 1 1 A 59 59 ARG CA C 59 54.384 54.298 0.086 1 1 654 . 1 1 1 A 59 59 ARG HA H 59 5.488 5.330 0.158 1 1 655 . 1 1 1 A 59 59 ARG CB C 59 34.262 33.039 1.223 1 1 661 . 1 1 1 A 59 59 ARG C C 59 174.849 174.201 0.648 1 1 665 . 1 1 1 A 60 60 TYR N N 60 123.838 127.445 -3.607 1 1 666 . 1 1 1 A 60 60 TYR H H 60 9.164 8.710 0.454 1 1 667 . 1 1 1 A 60 60 TYR CA C 60 56.684 57.905 -1.221 1 1 668 . 1 1 1 A 60 60 TYR HA H 60 5.024 4.960 0.064 1 1 669 . 1 1 1 A 60 60 TYR CB C 60 42.761 41.093 1.668 1 1 675 . 1 1 1 A 60 60 TYR C C 60 171.861 173.985 -2.124 1 1 677 . 1 1 1 A 61 61 ALA N N 61 134.382 130.892 3.490 1 1 678 . 1 1 1 A 61 61 ALA H H 61 8.023 8.610 -0.587 1 1 679 . 1 1 1 A 61 61 ALA CA C 61 47.869 49.982 -2.113 1 1 680 . 1 1 1 A 61 61 ALA HA H 61 4.670 4.406 0.264 1 1 681 . 1 1 1 A 61 61 ALA CB C 61 18.685 19.631 -0.946 1 1 685 . 1 1 1 A 61 61 ALA C C 61 172.714 175.649 -2.935 1 1 686 . 1 1 1 A 62 62 PRO CA C 62 62.455 62.519 -0.064 1 1 687 . 1 1 1 A 62 62 PRO HA H 62 4.137 4.256 -0.119 1 1 688 . 1 1 1 A 62 62 PRO CB C 62 33.972 31.691 2.281 1 1 694 . 1 1 1 A 62 62 PRO C C 62 175.567 176.711 -1.144 1 1 698 . 1 1 1 A 63 63 THR N N 63 106.145 114.263 -8.118 1 1 699 . 1 1 1 A 63 63 THR H H 63 8.819 8.663 0.156 1 1 700 . 1 1 1 A 63 63 THR CA C 63 60.795 62.870 -2.075 1 1 701 . 1 1 1 A 63 63 THR HA H 63 4.278 4.499 -0.221 1 1 702 . 1 1 1 A 63 63 THR CB C 63 70.379 69.463 0.916 1 1 708 . 1 1 1 A 63 63 THR C C 63 173.771 174.491 -0.720 1 1 709 . 1 1 1 A 64 64 GLU N N 64 119.851 118.816 1.035 1 1 710 . 1 1 1 A 64 64 GLU H H 64 7.217 7.679 -0.462 1 1 711 . 1 1 1 A 64 64 GLU CA C 64 54.483 55.023 -0.540 1 1 712 . 1 1 1 A 64 64 GLU HA H 64 4.560 4.644 -0.084 1 1 713 . 1 1 1 A 64 64 GLU CB C 64 33.675 33.291 0.384 1 1 717 . 1 1 1 A 64 64 GLU C C 64 173.177 175.257 -2.080 1 1 720 . 1 1 1 A 65 65 VAL N N 65 114.914 118.900 -3.986 1 1 721 . 1 1 1 A 65 65 VAL H H 65 7.740 8.287 -0.547 1 1 722 . 1 1 1 A 65 65 VAL CA C 65 61.412 61.712 -0.300 1 1 723 . 1 1 1 A 65 65 VAL HA H 65 3.730 3.909 -0.179 1 1 724 . 1 1 1 A 65 65 VAL CB C 65 33.477 33.040 0.437 1 1 734 . 1 1 1 A 65 65 VAL C C 65 176.588 174.960 1.628 1 1 735 . 1 1 1 A 66 66 GLY N N 66 108.948 108.755 0.193 1 1 736 . 1 1 1 A 66 66 GLY H H 66 8.821 7.934 0.887 1 1 737 . 1 1 1 A 66 66 GLY CA C 66 43.304 43.512 -0.208 1 1 738 . 1 1 1 A 66 66 GLY HA3 H 66 4.468 3.962 0.506 1 1 739 . 1 1 1 A 66 66 GLY C C 66 175.811 172.073 3.738 1 1 740 . 1 1 1 A 66 66 GLY HA2 H 66 3.184 3.933 -0.749 1 1 741 . 1 1 1 A 67 67 LEU N N 67 126.594 121.871 4.723 1 1 742 . 1 1 1 A 67 67 LEU H H 67 9.023 8.312 0.711 1 1 743 . 1 1 1 A 67 67 LEU CA C 67 56.432 53.446 2.986 1 1 744 . 1 1 1 A 67 67 LEU HA H 67 4.137 4.930 -0.793 1 1 745 . 1 1 1 A 67 67 LEU CB C 67 41.933 44.315 -2.382 1 1 757 . 1 1 1 A 67 67 LEU C C 67 174.817 174.470 0.347 1 1 759 . 1 1 1 A 68 68 HIS N N 68 127.130 125.084 2.046 1 1 760 . 1 1 1 A 68 68 HIS H H 68 9.165 8.589 0.576 1 1 761 . 1 1 1 A 68 68 HIS CA C 68 54.518 54.199 0.319 1 1 762 . 1 1 1 A 68 68 HIS HA H 68 4.562 5.238 -0.676 1 1 763 . 1 1 1 A 68 68 HIS CB C 68 32.159 32.605 -0.446 1 1 769 . 1 1 1 A 68 68 HIS C C 68 173.717 173.294 0.423 1 1 771 . 1 1 1 A 69 69 GLU N N 69 116.428 123.223 -6.795 1 1 772 . 1 1 1 A 69 69 GLU H H 69 8.096 8.756 -0.660 1 1 773 . 1 1 1 A 69 69 GLU CA C 69 54.625 54.827 -0.202 1 1 774 . 1 1 1 A 69 69 GLU HA H 69 5.274 5.284 -0.010 1 1 775 . 1 1 1 A 69 69 GLU CB C 69 34.361 32.933 1.428 1 1 779 . 1 1 1 A 69 69 GLU C C 69 174.811 174.761 0.050 1 1 782 . 1 1 1 A 70 70 MET N N 70 126.104 127.844 -1.740 1 1 783 . 1 1 1 A 70 70 MET H H 70 9.874 9.238 0.636 1 1 784 . 1 1 1 A 70 70 MET CA C 70 54.399 54.213 0.186 1 1 785 . 1 1 1 A 70 70 MET HA H 70 5.272 5.387 -0.115 1 1 786 . 1 1 1 A 70 70 MET CB C 70 36.158 35.385 0.773 1 1 794 . 1 1 1 A 70 70 MET C C 70 173.699 175.224 -1.525 1 1 797 . 1 1 1 A 71 71 HIS N N 71 129.007 123.158 5.849 1 1 798 . 1 1 1 A 71 71 HIS H H 71 9.533 9.598 -0.065 1 1 799 . 1 1 1 A 71 71 HIS CA C 71 54.201 54.501 -0.300 1 1 800 . 1 1 1 A 71 71 HIS HA H 71 5.273 5.206 0.067 1 1 801 . 1 1 1 A 71 71 HIS CB C 71 33.546 31.669 1.877 1 1 807 . 1 1 1 A 71 71 HIS C C 71 174.997 174.064 0.933 1 1 809 . 1 1 1 A 72 72 ILE N N 72 126.123 124.322 1.801 1 1 810 . 1 1 1 A 72 72 ILE H H 72 9.842 9.094 0.748 1 1 811 . 1 1 1 A 72 72 ILE CA C 72 60.037 60.022 0.015 1 1 812 . 1 1 1 A 72 72 ILE HA H 72 4.885 4.872 0.013 1 1 813 . 1 1 1 A 72 72 ILE CB C 72 40.102 40.643 -0.541 1 1 825 . 1 1 1 A 72 72 ILE C C 72 173.955 175.221 -1.266 1 1 827 . 1 1 1 A 73 73 LYS N N 73 124.414 126.231 -1.817 1 1 828 . 1 1 1 A 73 73 LYS H H 73 8.854 8.829 0.025 1 1 829 . 1 1 1 A 73 73 LYS CA C 73 54.200 54.985 -0.785 1 1 830 . 1 1 1 A 73 73 LYS HA H 73 4.964 5.067 -0.103 1 1 831 . 1 1 1 A 73 73 LYS CB C 73 36.335 35.621 0.714 1 1 839 . 1 1 1 A 73 73 LYS C C 73 174.360 174.008 0.352 1 1 844 . 1 1 1 A 74 74 TYR N N 74 121.190 125.718 -4.528 1 1 845 . 1 1 1 A 74 74 TYR H H 74 8.979 9.240 -0.261 1 1 846 . 1 1 1 A 74 74 TYR CA C 74 55.271 57.681 -2.410 1 1 847 . 1 1 1 A 74 74 TYR HA H 74 5.365 4.880 0.485 1 1 848 . 1 1 1 A 74 74 TYR CB C 74 41.143 40.873 0.270 1 1 858 . 1 1 1 A 74 74 TYR C C 74 175.646 174.961 0.685 1 1 860 . 1 1 1 A 75 75 MET N N 75 125.219 127.322 -2.103 1 1 861 . 1 1 1 A 75 75 MET H H 75 9.096 9.713 -0.617 1 1 862 . 1 1 1 A 75 75 MET CA C 75 56.166 56.715 -0.549 1 1 863 . 1 1 1 A 75 75 MET HA H 75 3.920 4.271 -0.351 1 1 864 . 1 1 1 A 75 75 MET CB C 75 29.423 31.177 -1.754 1 1 872 . 1 1 1 A 75 75 MET C C 75 176.809 176.271 0.538 1 1 875 . 1 1 1 A 76 76 GLY N N 76 102.874 104.396 -1.522 1 1 876 . 1 1 1 A 76 76 GLY H H 76 8.573 8.669 -0.096 1 1 877 . 1 1 1 A 76 76 GLY CA C 76 45.421 46.682 -1.261 1 1 878 . 1 1 1 A 76 76 GLY HA3 H 76 4.221 3.897 0.324 1 1 879 . 1 1 1 A 76 76 GLY C C 76 174.014 173.647 0.367 1 1 880 . 1 1 1 A 76 76 GLY HA2 H 76 3.471 3.889 -0.418 1 1 881 . 1 1 1 A 77 77 SER N N 77 115.868 114.146 1.722 1 1 882 . 1 1 1 A 77 77 SER H H 77 7.609 7.700 -0.091 1 1 883 . 1 1 1 A 77 77 SER CA C 77 56.956 57.242 -0.286 1 1 884 . 1 1 1 A 77 77 SER HA H 77 4.935 4.852 0.083 1 1 885 . 1 1 1 A 77 77 SER CB C 77 65.336 65.485 -0.149 1 1 887 . 1 1 1 A 77 77 SER C C 77 173.677 173.222 0.455 1 1 889 . 1 1 1 A 78 78 HIS N N 78 124.606 124.645 -0.039 1 1 890 . 1 1 1 A 78 78 HIS H H 78 8.751 8.817 -0.066 1 1 891 . 1 1 1 A 78 78 HIS CA C 78 59.005 57.035 1.970 1 1 892 . 1 1 1 A 78 78 HIS HA H 78 4.617 4.804 -0.187 1 1 893 . 1 1 1 A 78 78 HIS CB C 78 32.066 30.692 1.374 1 1 899 . 1 1 1 A 78 78 HIS C C 78 178.429 175.673 2.756 1 1 901 . 1 1 1 A 79 79 ILE N N 79 117.547 119.294 -1.747 1 1 902 . 1 1 1 A 79 79 ILE H H 79 8.102 8.409 -0.307 1 1 903 . 1 1 1 A 79 79 ILE CA C 79 61.442 58.391 3.051 1 1 904 . 1 1 1 A 79 79 ILE HA H 79 4.737 4.635 0.102 1 1 905 . 1 1 1 A 79 79 ILE CB C 79 35.644 38.596 -2.952 1 1 917 . 1 1 1 A 79 79 ILE C C 79 174.657 176.131 -1.474 1 1 919 . 1 1 1 A 80 80 PRO CA C 80 66.398 64.351 2.047 1 1 920 . 1 1 1 A 80 80 PRO HA H 80 4.296 4.542 -0.246 1 1 921 . 1 1 1 A 80 80 PRO CB C 80 31.380 31.676 -0.296 1 1 927 . 1 1 1 A 80 80 PRO C C 80 177.763 177.727 0.036 1 1 931 . 1 1 1 A 81 81 GLU N N 81 114.279 117.307 -3.028 1 1 932 . 1 1 1 A 81 81 GLU H H 81 8.913 8.352 0.561 1 1 933 . 1 1 1 A 81 81 GLU CA C 81 58.285 57.675 0.610 1 1 934 . 1 1 1 A 81 81 GLU HA H 81 4.043 4.512 -0.469 1 1 935 . 1 1 1 A 81 81 GLU CB C 81 29.010 30.909 -1.899 1 1 939 . 1 1 1 A 81 81 GLU C C 81 174.743 175.682 -0.939 1 1 942 . 1 1 1 A 82 82 SER N N 82 112.700 114.787 -2.087 1 1 943 . 1 1 1 A 82 82 SER H H 82 7.918 7.575 0.343 1 1 944 . 1 1 1 A 82 82 SER CA C 82 54.519 55.810 -1.291 1 1 945 . 1 1 1 A 82 82 SER HA H 82 4.798 4.903 -0.105 1 1 946 . 1 1 1 A 82 82 SER CB C 82 64.077 65.820 -1.743 1 1 948 . 1 1 1 A 82 82 SER C C 82 173.394 171.757 1.637 1 1 950 . 1 1 1 A 83 83 PRO CA C 83 62.597 62.353 0.244 1 1 951 . 1 1 1 A 83 83 PRO HA H 83 5.247 4.710 0.537 1 1 952 . 1 1 1 A 83 83 PRO CB C 83 34.681 33.037 1.644 1 1 958 . 1 1 1 A 83 83 PRO C C 83 175.783 175.879 -0.096 1 1 962 . 1 1 1 A 84 84 LEU N N 84 123.427 116.820 6.607 1 1 963 . 1 1 1 A 84 84 LEU H H 84 9.099 8.165 0.934 1 1 964 . 1 1 1 A 84 84 LEU CA C 84 54.413 52.660 1.753 1 1 965 . 1 1 1 A 84 84 LEU HA H 84 4.893 5.211 -0.318 1 1 966 . 1 1 1 A 84 84 LEU CB C 84 44.452 46.367 -1.915 1 1 978 . 1 1 1 A 84 84 LEU C C 84 176.054 175.070 0.984 1 1 980 . 1 1 1 A 85 85 GLN N N 85 122.438 118.308 4.130 1 1 981 . 1 1 1 A 85 85 GLN H H 85 8.869 8.858 0.011 1 1 982 . 1 1 1 A 85 85 GLN CA C 85 54.811 54.119 0.692 1 1 983 . 1 1 1 A 85 85 GLN HA H 85 5.359 5.286 0.073 1 1 984 . 1 1 1 A 85 85 GLN CB C 85 30.972 32.367 -1.395 1 1 991 . 1 1 1 A 85 85 GLN C C 85 175.687 175.052 0.635 1 1 994 . 1 1 1 A 86 86 PHE N N 86 118.108 117.588 0.520 1 1 995 . 1 1 1 A 86 86 PHE H H 86 8.483 8.328 0.155 1 1 996 . 1 1 1 A 86 86 PHE CA C 86 56.104 55.484 0.620 1 1 997 . 1 1 1 A 86 86 PHE HA H 86 4.917 5.538 -0.621 1 1 998 . 1 1 1 A 86 86 PHE CB C 86 40.732 41.885 -1.153 1 1 1010 . 1 1 1 A 86 86 PHE C C 86 171.607 172.748 -1.141 1 1 1012 . 1 1 1 A 87 87 TYR N N 87 124.521 125.594 -1.073 1 1 1013 . 1 1 1 A 87 87 TYR H H 87 9.179 9.044 0.135 1 1 1014 . 1 1 1 A 87 87 TYR CA C 87 57.832 58.565 -0.733 1 1 1015 . 1 1 1 A 87 87 TYR HA H 87 4.643 4.789 -0.146 1 1 1016 . 1 1 1 A 87 87 TYR CB C 87 40.731 39.552 1.179 1 1 1026 . 1 1 1 A 87 87 TYR C C 87 175.145 174.448 0.697 1 1 1028 . 1 1 1 A 88 88 VAL N N 88 129.828 126.686 3.142 1 1 1029 . 1 1 1 A 88 88 VAL H H 88 7.865 8.313 -0.448 1 1 1030 . 1 1 1 A 88 88 VAL CA C 88 61.875 61.760 0.115 1 1 1031 . 1 1 1 A 88 88 VAL HA H 88 4.219 4.447 -0.228 1 1 1032 . 1 1 1 A 88 88 VAL CB C 88 32.943 30.980 1.963 1 1 1042 . 1 1 1 A 88 88 VAL C C 88 174.472 175.247 -0.775 1 1 1043 . 1 1 1 A 89 89 ASN N N 89 124.798 125.951 -1.153 1 1 1044 . 1 1 1 A 89 89 ASN H H 89 8.649 8.570 0.079 1 1 1045 . 1 1 1 A 89 89 ASN CA C 89 52.062 53.232 -1.170 1 1 1046 . 1 1 1 A 89 89 ASN HA H 89 5.024 4.610 0.414 1 1 1047 . 1 1 1 A 89 89 ASN CB C 89 41.470 39.322 2.148 1 1 1052 . 1 1 1 A 89 89 ASN C C 89 175.232 175.596 -0.364 1 1 1054 . 1 1 1 A 90 90 TYR N N 90 119.662 120.846 -1.184 1 1 1055 . 1 1 1 A 90 90 TYR H H 90 8.559 8.393 0.166 1 1 1056 . 1 1 1 A 90 90 TYR CA C 90 58.020 56.842 1.178 1 1 1057 . 1 1 1 A 90 90 TYR HA H 90 4.485 4.885 -0.400 1 1 1058 . 1 1 1 A 90 90 TYR CB C 90 37.880 37.319 0.561 1 1 1068 . 1 1 1 A 90 90 TYR C C 90 174.972 174.520 0.452 1 1 1070 . 1 1 1 A 91 91 PRO CA C 91 63.396 63.676 -0.280 1 1 1071 . 1 1 1 A 91 91 PRO HA H 91 4.337 4.378 -0.041 1 1 1072 . 1 1 1 A 91 91 PRO CB C 91 32.028 32.009 0.019 1 1 1081 . 1 1 1 A 92 92 ASN N N 92 118.175 120.697 -2.522 1 1 1082 . 1 1 1 A 92 92 ASN H H 92 8.429 9.015 -0.586 1 1 1083 . 1 1 1 A 92 92 ASN CA C 92 53.343 54.187 -0.844 1 1 1084 . 1 1 1 A 92 92 ASN HA H 92 4.691 4.359 0.332 1 1 1085 . 1 1 1 A 92 92 ASN CB C 92 39.000 37.432 1.568 1 1 1091 . 1 1 1 A 93 93 SER N N 93 115.984 114.613 1.371 1 1 1092 . 1 1 1 A 93 93 SER H H 93 8.344 7.841 0.503 1 1 1093 . 1 1 1 A 93 93 SER CA C 93 58.618 58.928 -0.310 1 1 1094 . 1 1 1 A 93 93 SER HA H 93 4.474 4.651 -0.177 1 1 1095 . 1 1 1 A 93 93 SER CB C 93 63.894 64.404 -0.510 1 1 1098 . 1 1 1 A 94 94 GLY N N 94 111.442 111.495 -0.053 1 1 1099 . 1 1 1 A 94 94 GLY H H 94 8.499 8.640 -0.141 1 1 1100 . 1 1 1 A 94 94 GLY CA C 94 45.417 44.762 0.655 1 1 1101 . 1 1 1 A 94 94 GLY HA3 H 94 4.016 4.130 -0.114 1 1 1102 . 1 1 1 A 94 94 GLY C C 94 173.391 173.605 -0.214 1 1 1103 . 1 1 1 A 94 94 GLY HA2 H 94 4.016 4.129 -0.113 1 1 1 . 2 1 1 A 2 2 SER CA C 2 58.268 57.672 0.596 1 1 2 . 2 1 1 A 2 2 SER CB C 2 63.729 64.578 -0.849 1 1 3 . 2 1 1 A 2 2 SER C C 2 174.818 173.929 0.889 1 1 4 . 2 1 1 A 3 3 SER CA C 3 58.693 58.705 -0.012 1 1 5 . 2 1 1 A 3 3 SER CB C 3 63.906 64.455 -0.549 1 1 6 . 2 1 1 A 3 3 SER C C 3 174.981 175.283 -0.302 1 1 7 . 2 1 1 A 5 5 SER C C 5 178.688 174.160 4.528 1 1 8 . 2 1 1 A 6 6 SER CA C 6 58.453 58.664 -0.211 1 1 9 . 2 1 1 A 6 6 SER HA H 6 4.502 4.498 0.004 1 1 10 . 2 1 1 A 6 6 SER CB C 6 63.956 64.040 -0.084 1 1 13 . 2 1 1 A 7 7 GLY N N 7 110.931 111.490 -0.559 1 1 14 . 2 1 1 A 7 7 GLY H H 7 8.436 8.444 -0.008 1 1 15 . 2 1 1 A 7 7 GLY CA C 7 45.357 45.159 0.198 1 1 16 . 2 1 1 A 7 7 GLY HA3 H 7 3.979 4.041 -0.062 1 1 17 . 2 1 1 A 7 7 GLY C C 7 174.128 172.913 1.215 1 1 18 . 2 1 1 A 7 7 GLY HA2 H 7 3.979 4.037 -0.058 1 1 19 . 2 1 1 A 8 8 VAL N N 8 119.070 120.686 -1.616 1 1 20 . 2 1 1 A 8 8 VAL H H 8 8.006 8.752 -0.746 1 1 21 . 2 1 1 A 8 8 VAL CA C 8 62.332 59.971 2.361 1 1 22 . 2 1 1 A 8 8 VAL HA H 8 4.180 4.994 -0.814 1 1 23 . 2 1 1 A 8 8 VAL CB C 8 32.819 33.724 -0.905 1 1 33 . 2 1 1 A 8 8 VAL C C 8 176.359 174.961 1.398 1 1 34 . 2 1 1 A 9 9 SER N N 9 119.223 117.252 1.971 1 1 35 . 2 1 1 A 9 9 SER H H 9 8.418 8.812 -0.394 1 1 36 . 2 1 1 A 9 9 SER CA C 9 58.392 56.858 1.534 1 1 37 . 2 1 1 A 9 9 SER HA H 9 4.469 5.101 -0.632 1 1 38 . 2 1 1 A 9 9 SER CB C 9 63.948 66.190 -2.242 1 1 40 . 2 1 1 A 9 9 SER C C 9 174.256 172.660 1.596 1 1 42 . 2 1 1 A 10 10 ASP N N 10 122.453 121.413 1.040 1 1 43 . 2 1 1 A 10 10 ASP H H 10 8.311 8.923 -0.612 1 1 44 . 2 1 1 A 10 10 ASP CA C 10 54.450 53.472 0.978 1 1 45 . 2 1 1 A 10 10 ASP HA H 10 4.592 4.813 -0.221 1 1 46 . 2 1 1 A 10 10 ASP CB C 10 41.174 41.861 -0.687 1 1 48 . 2 1 1 A 10 10 ASP C C 10 176.480 176.916 -0.436 1 1 50 . 2 1 1 A 11 11 MET N N 11 120.428 121.638 -1.210 1 1 51 . 2 1 1 A 11 11 MET H H 11 8.340 8.487 -0.147 1 1 52 . 2 1 1 A 11 11 MET CA C 11 55.757 58.441 -2.684 1 1 53 . 2 1 1 A 11 11 MET HA H 11 4.418 4.059 0.359 1 1 54 . 2 1 1 A 11 11 MET CB C 11 32.457 32.515 -0.058 1 1 62 . 2 1 1 A 11 11 MET C C 11 176.391 176.471 -0.080 1 1 65 . 2 1 1 A 12 12 ASN N N 12 118.914 112.511 6.403 1 1 66 . 2 1 1 A 12 12 ASN H H 12 8.416 7.811 0.605 1 1 67 . 2 1 1 A 12 12 ASN CA C 12 53.687 51.460 2.227 1 1 68 . 2 1 1 A 12 12 ASN HA H 12 4.660 5.271 -0.611 1 1 69 . 2 1 1 A 12 12 ASN CB C 12 38.924 41.220 -2.296 1 1 74 . 2 1 1 A 12 12 ASN C C 12 175.770 173.975 1.795 1 1 76 . 2 1 1 A 13 13 GLY N N 13 108.888 108.620 0.268 1 1 77 . 2 1 1 A 13 13 GLY H H 13 8.317 8.866 -0.549 1 1 78 . 2 1 1 A 13 13 GLY CA C 13 45.658 44.673 0.985 1 1 79 . 2 1 1 A 13 13 GLY HA3 H 13 3.920 4.109 -0.189 1 1 80 . 2 1 1 A 13 13 GLY C C 13 174.275 174.841 -0.566 1 1 81 . 2 1 1 A 13 13 GLY HA2 H 13 3.920 4.104 -0.184 1 1 82 . 2 1 1 A 14 14 LEU N N 14 120.990 122.593 -1.603 1 1 83 . 2 1 1 A 14 14 LEU H H 14 8.015 8.637 -0.622 1 1 84 . 2 1 1 A 14 14 LEU CA C 14 55.074 57.831 -2.757 1 1 85 . 2 1 1 A 14 14 LEU HA H 14 4.283 3.916 0.367 1 1 86 . 2 1 1 A 14 14 LEU CB C 14 42.572 41.924 0.648 1 1 98 . 2 1 1 A 14 14 LEU C C 14 177.365 177.569 -0.204 1 1 100 . 2 1 1 A 15 15 GLY N N 15 107.853 104.711 3.142 1 1 101 . 2 1 1 A 15 15 GLY H H 15 8.198 7.471 0.727 1 1 102 . 2 1 1 A 15 15 GLY CA C 15 44.968 45.519 -0.551 1 1 103 . 2 1 1 A 15 15 GLY HA3 H 15 3.823 3.790 0.033 1 1 104 . 2 1 1 A 15 15 GLY C C 15 173.829 173.163 0.666 1 1 105 . 2 1 1 A 15 15 GLY HA2 H 15 3.783 3.729 0.054 1 1 106 . 2 1 1 A 16 16 PHE N N 16 118.501 117.999 0.502 1 1 107 . 2 1 1 A 16 16 PHE H H 16 7.868 8.083 -0.215 1 1 108 . 2 1 1 A 16 16 PHE CA C 16 57.837 56.352 1.485 1 1 109 . 2 1 1 A 16 16 PHE HA H 16 4.442 5.113 -0.671 1 1 110 . 2 1 1 A 16 16 PHE CB C 16 40.278 43.105 -2.827 1 1 122 . 2 1 1 A 16 16 PHE C C 16 176.569 174.764 1.805 1 1 124 . 2 1 1 A 17 17 LYS N N 17 126.087 123.566 2.521 1 1 125 . 2 1 1 A 17 17 LYS H H 17 8.611 8.526 0.085 1 1 126 . 2 1 1 A 17 17 LYS CA C 17 54.271 55.018 -0.747 1 1 127 . 2 1 1 A 17 17 LYS HA H 17 4.573 4.294 0.279 1 1 128 . 2 1 1 A 17 17 LYS CB C 17 32.818 33.113 -0.295 1 1 136 . 2 1 1 A 17 17 LYS C C 17 174.147 175.087 -0.940 1 1 141 . 2 1 1 A 18 18 PRO CA C 18 62.850 62.524 0.326 1 1 142 . 2 1 1 A 18 18 PRO HA H 18 4.647 4.705 -0.058 1 1 143 . 2 1 1 A 18 18 PRO CB C 18 31.990 32.732 -0.742 1 1 149 . 2 1 1 A 18 18 PRO C C 18 176.220 175.603 0.617 1 1 153 . 2 1 1 A 19 19 PHE N N 19 123.581 123.700 -0.119 1 1 154 . 2 1 1 A 19 19 PHE H H 19 8.905 8.608 0.297 1 1 155 . 2 1 1 A 19 19 PHE CA C 19 57.402 56.423 0.979 1 1 156 . 2 1 1 A 19 19 PHE HA H 19 4.502 4.960 -0.458 1 1 157 . 2 1 1 A 19 19 PHE CB C 19 41.432 40.852 0.580 1 1 169 . 2 1 1 A 19 19 PHE C C 19 173.078 173.378 -0.300 1 1 171 . 2 1 1 A 20 20 ASP N N 20 126.229 125.393 0.836 1 1 172 . 2 1 1 A 20 20 ASP H H 20 7.412 8.727 -1.315 1 1 173 . 2 1 1 A 20 20 ASP CA C 20 52.686 52.435 0.251 1 1 174 . 2 1 1 A 20 20 ASP HA H 20 5.248 5.158 0.090 1 1 175 . 2 1 1 A 20 20 ASP CB C 20 44.081 42.323 1.758 1 1 177 . 2 1 1 A 20 20 ASP C C 20 174.098 174.298 -0.200 1 1 179 . 2 1 1 A 21 21 LEU N N 21 123.421 122.445 0.976 1 1 180 . 2 1 1 A 21 21 LEU H H 21 8.641 8.358 0.283 1 1 181 . 2 1 1 A 21 21 LEU CA C 21 54.201 54.323 -0.122 1 1 182 . 2 1 1 A 21 21 LEU HA H 21 4.367 4.711 -0.344 1 1 183 . 2 1 1 A 21 21 LEU CB C 21 46.118 45.857 0.261 1 1 195 . 2 1 1 A 21 21 LEU C C 21 174.294 173.567 0.727 1 1 197 . 2 1 1 A 22 22 VAL N N 22 127.339 124.351 2.988 1 1 198 . 2 1 1 A 22 22 VAL H H 22 8.451 8.984 -0.533 1 1 199 . 2 1 1 A 22 22 VAL CA C 22 61.986 59.952 2.034 1 1 200 . 2 1 1 A 22 22 VAL HA H 22 4.572 4.826 -0.254 1 1 201 . 2 1 1 A 22 22 VAL CB C 22 32.276 34.291 -2.015 1 1 211 . 2 1 1 A 22 22 VAL C C 22 176.066 174.976 1.090 1 1 212 . 2 1 1 A 23 23 ILE N N 23 128.645 129.405 -0.760 1 1 213 . 2 1 1 A 23 23 ILE H H 23 8.998 8.136 0.862 1 1 214 . 2 1 1 A 23 23 ILE CA C 23 57.193 60.272 -3.079 1 1 215 . 2 1 1 A 23 23 ILE HA H 23 4.489 4.143 0.346 1 1 216 . 2 1 1 A 23 23 ILE CB C 23 38.455 37.580 0.875 1 1 228 . 2 1 1 A 23 23 ILE C C 23 175.434 176.469 -1.035 1 1 230 . 2 1 1 A 24 24 PRO CA C 24 63.319 65.379 -2.060 1 1 231 . 2 1 1 A 24 24 PRO HA H 24 4.600 4.370 0.230 1 1 232 . 2 1 1 A 24 24 PRO CB C 24 30.324 32.071 -1.747 1 1 238 . 2 1 1 A 24 24 PRO C C 24 174.946 176.601 -1.655 1 1 242 . 2 1 1 A 25 25 PHE N N 25 121.530 114.487 7.043 1 1 243 . 2 1 1 A 25 25 PHE H H 25 7.582 7.945 -0.363 1 1 244 . 2 1 1 A 25 25 PHE CA C 25 56.635 55.904 0.731 1 1 245 . 2 1 1 A 25 25 PHE HA H 25 4.552 4.603 -0.051 1 1 246 . 2 1 1 A 25 25 PHE CB C 25 40.977 40.824 0.153 1 1 258 . 2 1 1 A 25 25 PHE C C 25 172.831 174.745 -1.914 1 1 260 . 2 1 1 A 26 26 ALA N N 26 124.526 122.673 1.853 1 1 261 . 2 1 1 A 26 26 ALA H H 26 7.993 8.709 -0.716 1 1 262 . 2 1 1 A 26 26 ALA CA C 26 52.074 50.269 1.805 1 1 263 . 2 1 1 A 26 26 ALA HA H 26 4.221 4.775 -0.554 1 1 264 . 2 1 1 A 26 26 ALA CB C 26 18.862 20.578 -1.716 1 1 268 . 2 1 1 A 26 26 ALA C C 26 176.973 176.166 0.807 1 1 269 . 2 1 1 A 27 27 VAL N N 27 118.422 122.033 -3.611 1 1 270 . 2 1 1 A 27 27 VAL H H 27 8.046 8.433 -0.387 1 1 271 . 2 1 1 A 27 27 VAL CA C 27 61.375 59.195 2.180 1 1 272 . 2 1 1 A 27 27 VAL HA H 27 4.248 4.715 -0.467 1 1 273 . 2 1 1 A 27 27 VAL CB C 27 34.179 35.283 -1.104 1 1 283 . 2 1 1 A 27 27 VAL C C 27 175.445 173.621 1.824 1 1 284 . 2 1 1 A 28 28 ARG N N 28 122.785 125.678 -2.893 1 1 285 . 2 1 1 A 28 28 ARG H H 28 8.275 8.603 -0.328 1 1 286 . 2 1 1 A 28 28 ARG CA C 28 55.407 54.126 1.281 1 1 287 . 2 1 1 A 28 28 ARG HA H 28 4.473 4.697 -0.224 1 1 288 . 2 1 1 A 28 28 ARG CB C 28 31.087 33.391 -2.304 1 1 294 . 2 1 1 A 28 28 ARG C C 28 176.528 175.809 0.719 1 1 298 . 2 1 1 A 29 29 LYS N N 29 121.704 124.015 -2.311 1 1 299 . 2 1 1 A 29 29 LYS H H 29 8.484 8.654 -0.170 1 1 300 . 2 1 1 A 29 29 LYS CA C 29 57.888 57.683 0.205 1 1 301 . 2 1 1 A 29 29 LYS HA H 29 4.170 4.152 0.018 1 1 302 . 2 1 1 A 29 29 LYS CB C 29 32.564 31.874 0.690 1 1 310 . 2 1 1 A 29 29 LYS C C 29 177.124 176.830 0.294 1 1 315 . 2 1 1 A 30 30 GLY N N 30 109.946 111.407 -1.461 1 1 316 . 2 1 1 A 30 30 GLY H H 30 8.546 8.185 0.361 1 1 317 . 2 1 1 A 30 30 GLY CA C 30 45.408 46.253 -0.845 1 1 318 . 2 1 1 A 30 30 GLY HA3 H 30 4.060 4.217 -0.157 1 1 319 . 2 1 1 A 30 30 GLY C C 30 173.961 174.040 -0.079 1 1 320 . 2 1 1 A 30 30 GLY HA2 H 30 3.981 4.202 -0.221 1 1 321 . 2 1 1 A 31 31 GLU N N 31 118.290 124.713 -6.423 1 1 322 . 2 1 1 A 31 31 GLU H H 31 8.088 8.841 -0.753 1 1 323 . 2 1 1 A 31 31 GLU CA C 31 56.979 56.471 0.508 1 1 324 . 2 1 1 A 31 31 GLU HA H 31 4.418 4.441 -0.023 1 1 325 . 2 1 1 A 31 31 GLU CB C 31 31.108 30.178 0.930 1 1 329 . 2 1 1 A 31 31 GLU C C 31 176.184 175.162 1.022 1 1 332 . 2 1 1 A 32 32 ILE N N 32 121.780 122.058 -0.278 1 1 333 . 2 1 1 A 32 32 ILE H H 32 8.155 7.541 0.614 1 1 334 . 2 1 1 A 32 32 ILE CA C 32 58.252 59.214 -0.962 1 1 335 . 2 1 1 A 32 32 ILE HA H 32 5.409 5.231 0.178 1 1 336 . 2 1 1 A 32 32 ILE CB C 32 39.008 42.296 -3.288 1 1 348 . 2 1 1 A 32 32 ILE C C 32 175.262 174.286 0.976 1 1 350 . 2 1 1 A 33 33 THR N N 33 117.063 116.099 0.964 1 1 351 . 2 1 1 A 33 33 THR H H 33 8.906 8.683 0.223 1 1 352 . 2 1 1 A 33 33 THR CA C 33 59.591 60.188 -0.597 1 1 353 . 2 1 1 A 33 33 THR HA H 33 4.707 5.147 -0.440 1 1 354 . 2 1 1 A 33 33 THR CB C 33 72.003 72.400 -0.397 1 1 360 . 2 1 1 A 33 33 THR C C 33 173.146 172.960 0.186 1 1 361 . 2 1 1 A 34 34 GLY N N 34 106.583 108.325 -1.742 1 1 362 . 2 1 1 A 34 34 GLY H H 34 8.603 8.441 0.162 1 1 363 . 2 1 1 A 34 34 GLY CA C 34 45.032 45.486 -0.454 1 1 364 . 2 1 1 A 34 34 GLY HA3 H 34 3.424 4.417 -0.993 1 1 365 . 2 1 1 A 34 34 GLY C C 34 172.260 172.169 0.091 1 1 366 . 2 1 1 A 34 34 GLY HA2 H 34 5.351 4.416 0.935 1 1 367 . 2 1 1 A 35 35 GLU N N 35 118.818 120.565 -1.747 1 1 368 . 2 1 1 A 35 35 GLU H H 35 8.756 8.796 -0.040 1 1 369 . 2 1 1 A 35 35 GLU CA C 35 56.375 55.141 1.234 1 1 370 . 2 1 1 A 35 35 GLU HA H 35 4.739 5.124 -0.385 1 1 371 . 2 1 1 A 35 35 GLU CB C 35 34.673 33.826 0.847 1 1 375 . 2 1 1 A 35 35 GLU C C 35 173.645 174.545 -0.900 1 1 378 . 2 1 1 A 36 36 VAL N N 36 124.835 123.831 1.004 1 1 379 . 2 1 1 A 36 36 VAL H H 36 9.291 8.978 0.313 1 1 380 . 2 1 1 A 36 36 VAL CA C 36 60.780 60.959 -0.179 1 1 381 . 2 1 1 A 36 36 VAL HA H 36 4.751 4.866 -0.115 1 1 382 . 2 1 1 A 36 36 VAL CB C 36 33.990 35.257 -1.267 1 1 392 . 2 1 1 A 36 36 VAL C C 36 174.137 174.729 -0.592 1 1 393 . 2 1 1 A 37 37 HIS N N 37 126.324 125.850 0.474 1 1 394 . 2 1 1 A 37 37 HIS H H 37 9.294 9.223 0.071 1 1 395 . 2 1 1 A 37 37 HIS CA C 37 54.625 54.530 0.095 1 1 396 . 2 1 1 A 37 37 HIS HA H 37 4.751 5.197 -0.446 1 1 397 . 2 1 1 A 37 37 HIS CB C 37 30.676 31.568 -0.892 1 1 403 . 2 1 1 A 37 37 HIS C C 37 174.317 174.438 -0.121 1 1 405 . 2 1 1 A 38 38 MET N N 38 122.552 123.951 -1.399 1 1 406 . 2 1 1 A 38 38 MET H H 38 8.303 8.963 -0.660 1 1 407 . 2 1 1 A 38 38 MET CA C 38 54.086 54.688 -0.602 1 1 408 . 2 1 1 A 38 38 MET HA H 38 4.089 4.622 -0.533 1 1 409 . 2 1 1 A 38 38 MET CB C 38 32.900 32.459 0.441 1 1 417 . 2 1 1 A 38 38 MET C C 38 174.851 175.969 -1.118 1 1 420 . 2 1 1 A 39 39 PRO CA C 39 65.874 64.164 1.710 1 1 421 . 2 1 1 A 39 39 PRO HA H 39 4.156 4.355 -0.199 1 1 422 . 2 1 1 A 39 39 PRO CB C 39 31.312 31.806 -0.494 1 1 428 . 2 1 1 A 39 39 PRO C C 39 178.047 177.523 0.524 1 1 432 . 2 1 1 A 40 40 SER N N 40 111.214 111.861 -0.647 1 1 433 . 2 1 1 A 40 40 SER H H 40 8.759 7.775 0.984 1 1 434 . 2 1 1 A 40 40 SER CA C 40 59.667 58.683 0.984 1 1 435 . 2 1 1 A 40 40 SER HA H 40 4.089 4.462 -0.373 1 1 436 . 2 1 1 A 40 40 SER CB C 40 62.726 63.599 -0.873 1 1 438 . 2 1 1 A 40 40 SER C C 40 176.300 174.505 1.795 1 1 440 . 2 1 1 A 41 41 GLY N N 41 111.180 109.004 2.176 1 1 441 . 2 1 1 A 41 41 GLY H H 41 8.293 7.736 0.557 1 1 442 . 2 1 1 A 41 41 GLY CA C 41 44.624 45.086 -0.462 1 1 443 . 2 1 1 A 41 41 GLY HA3 H 41 3.620 4.044 -0.424 1 1 444 . 2 1 1 A 41 41 GLY C C 41 174.516 173.831 0.685 1 1 445 . 2 1 1 A 41 41 GLY HA2 H 41 4.447 4.042 0.405 1 1 446 . 2 1 1 A 42 42 LYS N N 42 120.452 119.823 0.629 1 1 447 . 2 1 1 A 42 42 LYS H H 42 7.038 7.770 -0.732 1 1 448 . 2 1 1 A 42 42 LYS CA C 42 56.944 54.297 2.647 1 1 449 . 2 1 1 A 42 42 LYS HA H 42 4.286 4.811 -0.525 1 1 450 . 2 1 1 A 42 42 LYS CB C 42 33.719 35.550 -1.831 1 1 457 . 2 1 1 A 42 42 LYS C C 42 175.050 175.124 -0.074 1 1 462 . 2 1 1 A 43 43 THR N N 43 111.705 112.246 -0.541 1 1 463 . 2 1 1 A 43 43 THR H H 43 8.110 8.949 -0.839 1 1 464 . 2 1 1 A 43 43 THR CA C 43 59.653 59.669 -0.016 1 1 465 . 2 1 1 A 43 43 THR HA H 43 5.450 5.190 0.260 1 1 466 . 2 1 1 A 43 43 THR CB C 43 71.842 72.119 -0.277 1 1 472 . 2 1 1 A 43 43 THR C C 43 174.054 173.076 0.978 1 1 473 . 2 1 1 A 44 44 ALA N N 44 123.338 121.848 1.490 1 1 474 . 2 1 1 A 44 44 ALA H H 44 8.683 8.412 0.271 1 1 475 . 2 1 1 A 44 44 ALA CA C 44 50.752 51.608 -0.856 1 1 476 . 2 1 1 A 44 44 ALA HA H 44 4.798 4.877 -0.079 1 1 477 . 2 1 1 A 44 44 ALA CB C 44 24.091 23.096 0.995 1 1 481 . 2 1 1 A 44 44 ALA C C 44 175.947 175.910 0.037 1 1 482 . 2 1 1 A 45 45 THR N N 45 117.733 110.302 7.431 1 1 483 . 2 1 1 A 45 45 THR H H 45 8.934 8.588 0.346 1 1 484 . 2 1 1 A 45 45 THR CA C 45 59.517 58.741 0.776 1 1 485 . 2 1 1 A 45 45 THR HA H 45 4.894 4.919 -0.025 1 1 486 . 2 1 1 A 45 45 THR CB C 45 70.403 69.584 0.819 1 1 492 . 2 1 1 A 45 45 THR C C 45 173.394 173.463 -0.069 1 1 493 . 2 1 1 A 46 46 PRO CA C 46 62.017 62.306 -0.289 1 1 494 . 2 1 1 A 46 46 PRO HA H 46 4.978 4.756 0.222 1 1 495 . 2 1 1 A 46 46 PRO CB C 46 32.885 33.095 -0.210 1 1 501 . 2 1 1 A 46 46 PRO C C 46 173.937 175.778 -1.841 1 1 505 . 2 1 1 A 47 47 GLU N N 47 120.450 120.656 -0.206 1 1 506 . 2 1 1 A 47 47 GLU H H 47 8.894 8.965 -0.071 1 1 507 . 2 1 1 A 47 47 GLU CA C 47 56.040 55.271 0.769 1 1 508 . 2 1 1 A 47 47 GLU HA H 47 4.409 4.689 -0.280 1 1 509 . 2 1 1 A 47 47 GLU CB C 47 31.436 30.843 0.593 1 1 513 . 2 1 1 A 47 47 GLU C C 47 175.160 175.041 0.119 1 1 516 . 2 1 1 A 48 48 ILE N N 48 124.818 128.163 -3.345 1 1 517 . 2 1 1 A 48 48 ILE H H 48 8.467 8.886 -0.419 1 1 518 . 2 1 1 A 48 48 ILE CA C 48 60.408 60.120 0.288 1 1 519 . 2 1 1 A 48 48 ILE HA H 48 4.727 4.594 0.133 1 1 520 . 2 1 1 A 48 48 ILE CB C 48 38.177 37.029 1.148 1 1 532 . 2 1 1 A 48 48 ILE C C 48 175.681 174.910 0.771 1 1 534 . 2 1 1 A 49 49 VAL N N 49 129.411 128.183 1.228 1 1 535 . 2 1 1 A 49 49 VAL H H 49 9.417 8.967 0.450 1 1 536 . 2 1 1 A 49 49 VAL CA C 49 61.259 60.747 0.512 1 1 537 . 2 1 1 A 49 49 VAL HA H 49 4.188 4.708 -0.520 1 1 538 . 2 1 1 A 49 49 VAL CB C 49 34.719 35.023 -0.304 1 1 548 . 2 1 1 A 49 49 VAL C C 49 174.654 173.375 1.279 1 1 549 . 2 1 1 A 50 50 ASP N N 50 125.078 127.849 -2.771 1 1 550 . 2 1 1 A 50 50 ASP H H 50 8.664 8.866 -0.202 1 1 551 . 2 1 1 A 50 50 ASP CA C 50 53.899 52.549 1.350 1 1 552 . 2 1 1 A 50 50 ASP HA H 50 4.683 5.270 -0.587 1 1 553 . 2 1 1 A 50 50 ASP CB C 50 41.270 42.323 -1.053 1 1 555 . 2 1 1 A 50 50 ASP C C 50 176.440 175.711 0.729 1 1 557 . 2 1 1 A 51 51 ASN N N 51 123.926 125.528 -1.602 1 1 558 . 2 1 1 A 51 51 ASN H H 51 8.212 8.650 -0.438 1 1 559 . 2 1 1 A 51 51 ASN CA C 51 53.917 53.779 0.138 1 1 560 . 2 1 1 A 51 51 ASN HA H 51 4.703 4.631 0.072 1 1 561 . 2 1 1 A 51 51 ASN CB C 51 38.667 39.543 -0.876 1 1 566 . 2 1 1 A 51 51 ASN C C 51 176.260 175.620 0.640 1 1 568 . 2 1 1 A 52 52 LYS N N 52 115.640 123.215 -7.575 1 1 569 . 2 1 1 A 52 52 LYS H H 52 9.145 8.531 0.614 1 1 570 . 2 1 1 A 52 52 LYS CA C 52 58.127 55.899 2.228 1 1 571 . 2 1 1 A 52 52 LYS HA H 52 4.040 4.409 -0.369 1 1 572 . 2 1 1 A 52 52 LYS CB C 52 29.405 32.826 -3.421 1 1 580 . 2 1 1 A 52 52 LYS C C 52 175.471 176.865 -1.394 1 1 585 . 2 1 1 A 53 53 ASP N N 53 117.607 119.764 -2.157 1 1 586 . 2 1 1 A 53 53 ASP H H 53 7.824 8.288 -0.464 1 1 587 . 2 1 1 A 53 53 ASP CA C 53 52.598 55.710 -3.112 1 1 588 . 2 1 1 A 53 53 ASP HA H 53 4.690 4.849 -0.159 1 1 589 . 2 1 1 A 53 53 ASP CB C 53 40.929 43.460 -2.531 1 1 591 . 2 1 1 A 53 53 ASP C C 53 177.173 176.337 0.836 1 1 593 . 2 1 1 A 54 54 GLY N N 54 108.692 106.633 2.059 1 1 594 . 2 1 1 A 54 54 GLY H H 54 8.548 7.550 0.998 1 1 595 . 2 1 1 A 54 54 GLY CA C 54 45.161 45.044 0.117 1 1 596 . 2 1 1 A 54 54 GLY HA3 H 54 3.653 4.020 -0.367 1 1 597 . 2 1 1 A 54 54 GLY C C 54 173.737 173.558 0.179 1 1 598 . 2 1 1 A 54 54 GLY HA2 H 54 4.372 4.016 0.356 1 1 599 . 2 1 1 A 55 55 THR N N 55 110.165 110.007 0.158 1 1 600 . 2 1 1 A 55 55 THR H H 55 7.929 7.547 0.382 1 1 601 . 2 1 1 A 55 55 THR CA C 55 60.412 60.019 0.393 1 1 602 . 2 1 1 A 55 55 THR HA H 55 5.100 4.929 0.171 1 1 603 . 2 1 1 A 55 55 THR CB C 55 73.027 72.865 0.162 1 1 609 . 2 1 1 A 55 55 THR C C 55 174.206 172.468 1.738 1 1 610 . 2 1 1 A 56 56 VAL N N 56 115.822 120.412 -4.590 1 1 611 . 2 1 1 A 56 56 VAL H H 56 8.581 8.325 0.256 1 1 612 . 2 1 1 A 56 56 VAL CA C 56 59.608 59.894 -0.286 1 1 613 . 2 1 1 A 56 56 VAL HA H 56 5.132 5.270 -0.138 1 1 614 . 2 1 1 A 56 56 VAL CB C 56 35.607 35.822 -0.215 1 1 624 . 2 1 1 A 56 56 VAL C C 56 174.437 174.820 -0.383 1 1 625 . 2 1 1 A 57 57 THR N N 57 120.574 121.123 -0.549 1 1 626 . 2 1 1 A 57 57 THR H H 57 9.151 8.919 0.232 1 1 627 . 2 1 1 A 57 57 THR CA C 57 61.543 61.651 -0.108 1 1 628 . 2 1 1 A 57 57 THR HA H 57 5.021 5.141 -0.120 1 1 629 . 2 1 1 A 57 57 THR CB C 57 71.080 71.532 -0.452 1 1 635 . 2 1 1 A 57 57 THR C C 57 173.190 173.151 0.039 1 1 636 . 2 1 1 A 58 58 VAL N N 58 127.832 128.328 -0.496 1 1 637 . 2 1 1 A 58 58 VAL H H 58 9.296 9.133 0.163 1 1 638 . 2 1 1 A 58 58 VAL CA C 58 61.204 61.452 -0.248 1 1 639 . 2 1 1 A 58 58 VAL HA H 58 4.774 4.968 -0.194 1 1 640 . 2 1 1 A 58 58 VAL CB C 58 32.626 31.574 1.052 1 1 650 . 2 1 1 A 58 58 VAL C C 58 173.991 174.820 -0.829 1 1 651 . 2 1 1 A 59 59 ARG N N 59 126.761 129.267 -2.506 1 1 652 . 2 1 1 A 59 59 ARG H H 59 9.190 9.049 0.141 1 1 653 . 2 1 1 A 59 59 ARG CA C 59 54.384 54.285 0.099 1 1 654 . 2 1 1 A 59 59 ARG HA H 59 5.488 5.367 0.121 1 1 655 . 2 1 1 A 59 59 ARG CB C 59 34.262 33.229 1.033 1 1 661 . 2 1 1 A 59 59 ARG C C 59 174.849 174.291 0.558 1 1 665 . 2 1 1 A 60 60 TYR N N 60 123.838 126.736 -2.898 1 1 666 . 2 1 1 A 60 60 TYR H H 60 9.164 8.839 0.325 1 1 667 . 2 1 1 A 60 60 TYR CA C 60 56.684 58.256 -1.572 1 1 668 . 2 1 1 A 60 60 TYR HA H 60 5.024 4.862 0.162 1 1 669 . 2 1 1 A 60 60 TYR CB C 60 42.761 41.106 1.655 1 1 675 . 2 1 1 A 60 60 TYR C C 60 171.861 174.010 -2.149 1 1 677 . 2 1 1 A 61 61 ALA N N 61 134.382 131.111 3.271 1 1 678 . 2 1 1 A 61 61 ALA H H 61 8.023 8.664 -0.641 1 1 679 . 2 1 1 A 61 61 ALA CA C 61 47.869 50.011 -2.142 1 1 680 . 2 1 1 A 61 61 ALA HA H 61 4.670 4.314 0.356 1 1 681 . 2 1 1 A 61 61 ALA CB C 61 18.685 19.441 -0.756 1 1 685 . 2 1 1 A 61 61 ALA C C 61 172.714 175.765 -3.051 1 1 686 . 2 1 1 A 62 62 PRO CA C 62 62.455 62.629 -0.174 1 1 687 . 2 1 1 A 62 62 PRO HA H 62 4.137 4.368 -0.231 1 1 688 . 2 1 1 A 62 62 PRO CB C 62 33.972 31.949 2.023 1 1 694 . 2 1 1 A 62 62 PRO C C 62 175.567 176.952 -1.385 1 1 698 . 2 1 1 A 63 63 THR N N 63 106.145 113.846 -7.701 1 1 699 . 2 1 1 A 63 63 THR H H 63 8.819 8.758 0.061 1 1 700 . 2 1 1 A 63 63 THR CA C 63 60.795 63.415 -2.620 1 1 701 . 2 1 1 A 63 63 THR HA H 63 4.278 4.471 -0.193 1 1 702 . 2 1 1 A 63 63 THR CB C 63 70.379 69.416 0.963 1 1 708 . 2 1 1 A 63 63 THR C C 63 173.771 174.565 -0.794 1 1 709 . 2 1 1 A 64 64 GLU N N 64 119.851 119.664 0.187 1 1 710 . 2 1 1 A 64 64 GLU H H 64 7.217 8.006 -0.789 1 1 711 . 2 1 1 A 64 64 GLU CA C 64 54.483 55.394 -0.911 1 1 712 . 2 1 1 A 64 64 GLU HA H 64 4.560 5.029 -0.469 1 1 713 . 2 1 1 A 64 64 GLU CB C 64 33.675 32.852 0.823 1 1 717 . 2 1 1 A 64 64 GLU C C 64 173.177 175.522 -2.345 1 1 720 . 2 1 1 A 65 65 VAL N N 65 114.914 118.744 -3.830 1 1 721 . 2 1 1 A 65 65 VAL H H 65 7.740 8.493 -0.753 1 1 722 . 2 1 1 A 65 65 VAL CA C 65 61.412 60.754 0.658 1 1 723 . 2 1 1 A 65 65 VAL HA H 65 3.730 4.277 -0.547 1 1 724 . 2 1 1 A 65 65 VAL CB C 65 33.477 33.719 -0.242 1 1 734 . 2 1 1 A 65 65 VAL C C 65 176.588 174.730 1.858 1 1 735 . 2 1 1 A 66 66 GLY N N 66 108.948 108.719 0.229 1 1 736 . 2 1 1 A 66 66 GLY H H 66 8.821 7.781 1.040 1 1 737 . 2 1 1 A 66 66 GLY CA C 66 43.304 43.800 -0.496 1 1 738 . 2 1 1 A 66 66 GLY HA3 H 66 4.468 4.038 0.430 1 1 739 . 2 1 1 A 66 66 GLY C C 66 175.811 172.121 3.690 1 1 740 . 2 1 1 A 66 66 GLY HA2 H 66 3.184 4.023 -0.839 1 1 741 . 2 1 1 A 67 67 LEU N N 67 126.594 122.388 4.206 1 1 742 . 2 1 1 A 67 67 LEU H H 67 9.023 8.404 0.619 1 1 743 . 2 1 1 A 67 67 LEU CA C 67 56.432 53.459 2.973 1 1 744 . 2 1 1 A 67 67 LEU HA H 67 4.137 5.062 -0.925 1 1 745 . 2 1 1 A 67 67 LEU CB C 67 41.933 44.150 -2.217 1 1 757 . 2 1 1 A 67 67 LEU C C 67 174.817 174.611 0.206 1 1 759 . 2 1 1 A 68 68 HIS N N 68 127.130 125.769 1.361 1 1 760 . 2 1 1 A 68 68 HIS H H 68 9.165 8.614 0.551 1 1 761 . 2 1 1 A 68 68 HIS CA C 68 54.518 54.297 0.221 1 1 762 . 2 1 1 A 68 68 HIS HA H 68 4.562 5.249 -0.687 1 1 763 . 2 1 1 A 68 68 HIS CB C 68 32.159 32.203 -0.044 1 1 769 . 2 1 1 A 68 68 HIS C C 68 173.717 173.368 0.349 1 1 771 . 2 1 1 A 69 69 GLU N N 69 116.428 122.193 -5.765 1 1 772 . 2 1 1 A 69 69 GLU H H 69 8.096 8.691 -0.595 1 1 773 . 2 1 1 A 69 69 GLU CA C 69 54.625 54.793 -0.168 1 1 774 . 2 1 1 A 69 69 GLU HA H 69 5.274 5.293 -0.019 1 1 775 . 2 1 1 A 69 69 GLU CB C 69 34.361 32.747 1.614 1 1 779 . 2 1 1 A 69 69 GLU C C 69 174.811 174.691 0.120 1 1 782 . 2 1 1 A 70 70 MET N N 70 126.104 127.930 -1.826 1 1 783 . 2 1 1 A 70 70 MET H H 70 9.874 9.215 0.659 1 1 784 . 2 1 1 A 70 70 MET CA C 70 54.399 54.205 0.194 1 1 785 . 2 1 1 A 70 70 MET HA H 70 5.272 5.267 0.005 1 1 786 . 2 1 1 A 70 70 MET CB C 70 36.158 35.096 1.062 1 1 794 . 2 1 1 A 70 70 MET C C 70 173.699 175.366 -1.667 1 1 797 . 2 1 1 A 71 71 HIS N N 71 129.007 122.670 6.337 1 1 798 . 2 1 1 A 71 71 HIS H H 71 9.533 9.407 0.126 1 1 799 . 2 1 1 A 71 71 HIS CA C 71 54.201 54.498 -0.297 1 1 800 . 2 1 1 A 71 71 HIS HA H 71 5.273 5.214 0.059 1 1 801 . 2 1 1 A 71 71 HIS CB C 71 33.546 32.096 1.450 1 1 807 . 2 1 1 A 71 71 HIS C C 71 174.997 174.140 0.857 1 1 809 . 2 1 1 A 72 72 ILE N N 72 126.123 123.766 2.357 1 1 810 . 2 1 1 A 72 72 ILE H H 72 9.842 9.048 0.794 1 1 811 . 2 1 1 A 72 72 ILE CA C 72 60.037 59.955 0.082 1 1 812 . 2 1 1 A 72 72 ILE HA H 72 4.885 4.952 -0.067 1 1 813 . 2 1 1 A 72 72 ILE CB C 72 40.102 40.696 -0.594 1 1 825 . 2 1 1 A 72 72 ILE C C 72 173.955 175.151 -1.196 1 1 827 . 2 1 1 A 73 73 LYS N N 73 124.414 125.566 -1.152 1 1 828 . 2 1 1 A 73 73 LYS H H 73 8.854 8.807 0.047 1 1 829 . 2 1 1 A 73 73 LYS CA C 73 54.200 54.949 -0.749 1 1 830 . 2 1 1 A 73 73 LYS HA H 73 4.964 5.016 -0.052 1 1 831 . 2 1 1 A 73 73 LYS CB C 73 36.335 35.969 0.366 1 1 839 . 2 1 1 A 73 73 LYS C C 73 174.360 174.019 0.341 1 1 844 . 2 1 1 A 74 74 TYR N N 74 121.190 125.513 -4.323 1 1 845 . 2 1 1 A 74 74 TYR H H 74 8.979 9.233 -0.254 1 1 846 . 2 1 1 A 74 74 TYR CA C 74 55.271 57.648 -2.377 1 1 847 . 2 1 1 A 74 74 TYR HA H 74 5.365 4.895 0.470 1 1 848 . 2 1 1 A 74 74 TYR CB C 74 41.143 40.846 0.297 1 1 858 . 2 1 1 A 74 74 TYR C C 74 175.646 174.981 0.665 1 1 860 . 2 1 1 A 75 75 MET N N 75 125.219 127.404 -2.185 1 1 861 . 2 1 1 A 75 75 MET H H 75 9.096 9.799 -0.703 1 1 862 . 2 1 1 A 75 75 MET CA C 75 56.166 56.689 -0.523 1 1 863 . 2 1 1 A 75 75 MET HA H 75 3.920 4.291 -0.371 1 1 864 . 2 1 1 A 75 75 MET CB C 75 29.423 31.141 -1.718 1 1 872 . 2 1 1 A 75 75 MET C C 75 176.809 176.342 0.467 1 1 875 . 2 1 1 A 76 76 GLY N N 76 102.874 104.368 -1.494 1 1 876 . 2 1 1 A 76 76 GLY H H 76 8.573 8.661 -0.088 1 1 877 . 2 1 1 A 76 76 GLY CA C 76 45.421 46.280 -0.859 1 1 878 . 2 1 1 A 76 76 GLY HA3 H 76 4.221 3.874 0.347 1 1 879 . 2 1 1 A 76 76 GLY C C 76 174.014 173.737 0.277 1 1 880 . 2 1 1 A 76 76 GLY HA2 H 76 3.471 3.864 -0.393 1 1 881 . 2 1 1 A 77 77 SER N N 77 115.868 114.779 1.089 1 1 882 . 2 1 1 A 77 77 SER H H 77 7.609 7.591 0.018 1 1 883 . 2 1 1 A 77 77 SER CA C 77 56.956 57.602 -0.646 1 1 884 . 2 1 1 A 77 77 SER HA H 77 4.935 4.825 0.110 1 1 885 . 2 1 1 A 77 77 SER CB C 77 65.336 65.715 -0.379 1 1 887 . 2 1 1 A 77 77 SER C C 77 173.677 173.348 0.329 1 1 889 . 2 1 1 A 78 78 HIS N N 78 124.606 124.429 0.177 1 1 890 . 2 1 1 A 78 78 HIS H H 78 8.751 8.850 -0.099 1 1 891 . 2 1 1 A 78 78 HIS CA C 78 59.005 57.209 1.796 1 1 892 . 2 1 1 A 78 78 HIS HA H 78 4.617 4.749 -0.132 1 1 893 . 2 1 1 A 78 78 HIS CB C 78 32.066 30.939 1.127 1 1 899 . 2 1 1 A 78 78 HIS C C 78 178.429 175.650 2.779 1 1 901 . 2 1 1 A 79 79 ILE N N 79 117.547 119.145 -1.598 1 1 902 . 2 1 1 A 79 79 ILE H H 79 8.102 8.350 -0.248 1 1 903 . 2 1 1 A 79 79 ILE CA C 79 61.442 57.942 3.500 1 1 904 . 2 1 1 A 79 79 ILE HA H 79 4.737 4.630 0.107 1 1 905 . 2 1 1 A 79 79 ILE CB C 79 35.644 38.653 -3.009 1 1 917 . 2 1 1 A 79 79 ILE C C 79 174.657 176.090 -1.433 1 1 919 . 2 1 1 A 80 80 PRO CA C 80 66.398 64.331 2.067 1 1 920 . 2 1 1 A 80 80 PRO HA H 80 4.296 4.531 -0.235 1 1 921 . 2 1 1 A 80 80 PRO CB C 80 31.380 31.617 -0.237 1 1 927 . 2 1 1 A 80 80 PRO C C 80 177.763 177.596 0.167 1 1 931 . 2 1 1 A 81 81 GLU N N 81 114.279 117.437 -3.158 1 1 932 . 2 1 1 A 81 81 GLU H H 81 8.913 8.392 0.521 1 1 933 . 2 1 1 A 81 81 GLU CA C 81 58.285 57.608 0.677 1 1 934 . 2 1 1 A 81 81 GLU HA H 81 4.043 4.510 -0.467 1 1 935 . 2 1 1 A 81 81 GLU CB C 81 29.010 30.919 -1.909 1 1 939 . 2 1 1 A 81 81 GLU C C 81 174.743 175.677 -0.934 1 1 942 . 2 1 1 A 82 82 SER N N 82 112.700 114.791 -2.091 1 1 943 . 2 1 1 A 82 82 SER H H 82 7.918 7.570 0.348 1 1 944 . 2 1 1 A 82 82 SER CA C 82 54.519 55.730 -1.211 1 1 945 . 2 1 1 A 82 82 SER HA H 82 4.798 4.890 -0.092 1 1 946 . 2 1 1 A 82 82 SER CB C 82 64.077 65.797 -1.720 1 1 948 . 2 1 1 A 82 82 SER C C 82 173.394 171.749 1.645 1 1 950 . 2 1 1 A 83 83 PRO CA C 83 62.597 62.301 0.296 1 1 951 . 2 1 1 A 83 83 PRO HA H 83 5.247 4.586 0.661 1 1 952 . 2 1 1 A 83 83 PRO CB C 83 34.681 32.800 1.881 1 1 958 . 2 1 1 A 83 83 PRO C C 83 175.783 175.976 -0.193 1 1 962 . 2 1 1 A 84 84 LEU N N 84 123.427 116.953 6.474 1 1 963 . 2 1 1 A 84 84 LEU H H 84 9.099 8.273 0.826 1 1 964 . 2 1 1 A 84 84 LEU CA C 84 54.413 52.615 1.798 1 1 965 . 2 1 1 A 84 84 LEU HA H 84 4.893 5.259 -0.366 1 1 966 . 2 1 1 A 84 84 LEU CB C 84 44.452 46.551 -2.099 1 1 978 . 2 1 1 A 84 84 LEU C C 84 176.054 175.752 0.302 1 1 980 . 2 1 1 A 85 85 GLN N N 85 122.438 118.420 4.018 1 1 981 . 2 1 1 A 85 85 GLN H H 85 8.869 8.625 0.244 1 1 982 . 2 1 1 A 85 85 GLN CA C 85 54.811 54.259 0.552 1 1 983 . 2 1 1 A 85 85 GLN HA H 85 5.359 5.391 -0.032 1 1 984 . 2 1 1 A 85 85 GLN CB C 85 30.972 33.025 -2.053 1 1 991 . 2 1 1 A 85 85 GLN C C 85 175.687 174.839 0.848 1 1 994 . 2 1 1 A 86 86 PHE N N 86 118.108 119.179 -1.071 1 1 995 . 2 1 1 A 86 86 PHE H H 86 8.483 8.300 0.183 1 1 996 . 2 1 1 A 86 86 PHE CA C 86 56.104 55.544 0.560 1 1 997 . 2 1 1 A 86 86 PHE HA H 86 4.917 5.585 -0.668 1 1 998 . 2 1 1 A 86 86 PHE CB C 86 40.732 42.074 -1.342 1 1 1010 . 2 1 1 A 86 86 PHE C C 86 171.607 172.864 -1.257 1 1 1012 . 2 1 1 A 87 87 TYR N N 87 124.521 125.464 -0.943 1 1 1013 . 2 1 1 A 87 87 TYR H H 87 9.179 9.161 0.018 1 1 1014 . 2 1 1 A 87 87 TYR CA C 87 57.832 58.671 -0.839 1 1 1015 . 2 1 1 A 87 87 TYR HA H 87 4.643 4.990 -0.347 1 1 1016 . 2 1 1 A 87 87 TYR CB C 87 40.731 39.719 1.012 1 1 1026 . 2 1 1 A 87 87 TYR C C 87 175.145 174.373 0.772 1 1 1028 . 2 1 1 A 88 88 VAL N N 88 129.828 127.711 2.117 1 1 1029 . 2 1 1 A 88 88 VAL H H 88 7.865 8.488 -0.623 1 1 1030 . 2 1 1 A 88 88 VAL CA C 88 61.875 61.088 0.787 1 1 1031 . 2 1 1 A 88 88 VAL HA H 88 4.219 4.506 -0.287 1 1 1032 . 2 1 1 A 88 88 VAL CB C 88 32.943 33.338 -0.395 1 1 1042 . 2 1 1 A 88 88 VAL C C 88 174.472 174.588 -0.116 1 1 1043 . 2 1 1 A 89 89 ASN N N 89 124.798 125.950 -1.152 1 1 1044 . 2 1 1 A 89 89 ASN H H 89 8.649 8.926 -0.277 1 1 1045 . 2 1 1 A 89 89 ASN CA C 89 52.062 51.812 0.250 1 1 1046 . 2 1 1 A 89 89 ASN HA H 89 5.024 5.095 -0.071 1 1 1047 . 2 1 1 A 89 89 ASN CB C 89 41.470 41.211 0.259 1 1 1052 . 2 1 1 A 89 89 ASN C C 89 175.232 174.083 1.149 1 1 1054 . 2 1 1 A 90 90 TYR N N 90 119.662 123.209 -3.547 1 1 1055 . 2 1 1 A 90 90 TYR H H 90 8.559 8.943 -0.384 1 1 1056 . 2 1 1 A 90 90 TYR CA C 90 58.020 57.060 0.960 1 1 1057 . 2 1 1 A 90 90 TYR HA H 90 4.485 4.850 -0.365 1 1 1058 . 2 1 1 A 90 90 TYR CB C 90 37.880 39.891 -2.011 1 1 1068 . 2 1 1 A 90 90 TYR C C 90 174.972 174.637 0.335 1 1 1070 . 2 1 1 A 91 91 PRO CA C 91 63.396 62.246 1.150 1 1 1071 . 2 1 1 A 91 91 PRO HA H 91 4.337 4.568 -0.231 1 1 1072 . 2 1 1 A 91 91 PRO CB C 91 32.028 31.287 0.741 1 1 1081 . 2 1 1 A 92 92 ASN N N 92 118.175 120.713 -2.538 1 1 1082 . 2 1 1 A 92 92 ASN H H 92 8.429 8.568 -0.139 1 1 1083 . 2 1 1 A 92 92 ASN CA C 92 53.343 53.894 -0.551 1 1 1084 . 2 1 1 A 92 92 ASN HA H 92 4.691 4.940 -0.249 1 1 1085 . 2 1 1 A 92 92 ASN CB C 92 39.000 39.062 -0.062 1 1 1091 . 2 1 1 A 93 93 SER N N 93 115.984 118.414 -2.430 1 1 1092 . 2 1 1 A 93 93 SER H H 93 8.344 9.302 -0.958 1 1 1093 . 2 1 1 A 93 93 SER CA C 93 58.618 59.451 -0.833 1 1 1094 . 2 1 1 A 93 93 SER HA H 93 4.474 4.597 -0.123 1 1 1095 . 2 1 1 A 93 93 SER CB C 93 63.894 65.534 -1.640 1 1 1098 . 2 1 1 A 94 94 GLY N N 94 111.442 109.234 2.208 1 1 1099 . 2 1 1 A 94 94 GLY H H 94 8.499 8.012 0.487 1 1 1100 . 2 1 1 A 94 94 GLY CA C 94 45.417 45.649 -0.232 1 1 1101 . 2 1 1 A 94 94 GLY HA3 H 94 4.016 4.030 -0.014 1 1 1102 . 2 1 1 A 94 94 GLY C C 94 173.391 173.137 0.254 1 1 1103 . 2 1 1 A 94 94 GLY HA2 H 94 4.016 4.025 -0.009 1 1 1 . 3 1 1 A 2 2 SER CA C 2 58.268 57.667 0.601 1 1 2 . 3 1 1 A 2 2 SER CB C 2 63.729 63.206 0.523 1 1 3 . 3 1 1 A 2 2 SER C C 2 174.818 173.888 0.930 1 1 4 . 3 1 1 A 3 3 SER CA C 3 58.693 56.909 1.784 1 1 5 . 3 1 1 A 3 3 SER CB C 3 63.906 66.899 -2.993 1 1 6 . 3 1 1 A 3 3 SER C C 3 174.981 173.542 1.439 1 1 7 . 3 1 1 A 5 5 SER C C 5 178.688 174.904 3.784 1 1 8 . 3 1 1 A 6 6 SER CA C 6 58.453 62.084 -3.631 1 1 9 . 3 1 1 A 6 6 SER HA H 6 4.502 4.099 0.403 1 1 10 . 3 1 1 A 6 6 SER CB C 6 63.956 63.163 0.793 1 1 13 . 3 1 1 A 7 7 GLY N N 7 110.931 107.071 3.860 1 1 14 . 3 1 1 A 7 7 GLY H H 7 8.436 7.593 0.843 1 1 15 . 3 1 1 A 7 7 GLY CA C 7 45.357 45.507 -0.150 1 1 16 . 3 1 1 A 7 7 GLY HA3 H 7 3.979 4.004 -0.025 1 1 17 . 3 1 1 A 7 7 GLY C C 7 174.128 175.274 -1.146 1 1 18 . 3 1 1 A 7 7 GLY HA2 H 7 3.979 4.003 -0.024 1 1 19 . 3 1 1 A 8 8 VAL N N 8 119.070 118.733 0.337 1 1 20 . 3 1 1 A 8 8 VAL H H 8 8.006 8.120 -0.114 1 1 21 . 3 1 1 A 8 8 VAL CA C 8 62.332 63.938 -1.606 1 1 22 . 3 1 1 A 8 8 VAL HA H 8 4.180 4.187 -0.007 1 1 23 . 3 1 1 A 8 8 VAL CB C 8 32.819 33.953 -1.134 1 1 33 . 3 1 1 A 8 8 VAL C C 8 176.359 176.272 0.087 1 1 34 . 3 1 1 A 9 9 SER N N 9 119.223 117.640 1.583 1 1 35 . 3 1 1 A 9 9 SER H H 9 8.418 7.679 0.739 1 1 36 . 3 1 1 A 9 9 SER CA C 9 58.392 60.527 -2.135 1 1 37 . 3 1 1 A 9 9 SER HA H 9 4.469 4.283 0.186 1 1 38 . 3 1 1 A 9 9 SER CB C 9 63.948 63.529 0.419 1 1 40 . 3 1 1 A 9 9 SER C C 9 174.256 173.734 0.522 1 1 42 . 3 1 1 A 10 10 ASP N N 10 122.453 126.378 -3.925 1 1 43 . 3 1 1 A 10 10 ASP H H 10 8.311 8.868 -0.557 1 1 44 . 3 1 1 A 10 10 ASP CA C 10 54.450 52.801 1.649 1 1 45 . 3 1 1 A 10 10 ASP HA H 10 4.592 5.479 -0.887 1 1 46 . 3 1 1 A 10 10 ASP CB C 10 41.174 44.937 -3.763 1 1 48 . 3 1 1 A 10 10 ASP C C 10 176.480 174.132 2.348 1 1 50 . 3 1 1 A 11 11 MET N N 11 120.428 121.585 -1.157 1 1 51 . 3 1 1 A 11 11 MET H H 11 8.340 8.780 -0.440 1 1 52 . 3 1 1 A 11 11 MET CA C 11 55.757 54.554 1.203 1 1 53 . 3 1 1 A 11 11 MET HA H 11 4.418 5.013 -0.595 1 1 54 . 3 1 1 A 11 11 MET CB C 11 32.457 35.839 -3.382 1 1 62 . 3 1 1 A 11 11 MET C C 11 176.391 175.064 1.327 1 1 65 . 3 1 1 A 12 12 ASN N N 12 118.914 121.641 -2.727 1 1 66 . 3 1 1 A 12 12 ASN H H 12 8.416 8.835 -0.419 1 1 67 . 3 1 1 A 12 12 ASN CA C 12 53.687 54.879 -1.192 1 1 68 . 3 1 1 A 12 12 ASN HA H 12 4.660 4.421 0.239 1 1 69 . 3 1 1 A 12 12 ASN CB C 12 38.924 38.057 0.867 1 1 74 . 3 1 1 A 12 12 ASN C C 12 175.770 176.104 -0.334 1 1 76 . 3 1 1 A 13 13 GLY N N 13 108.888 111.653 -2.765 1 1 77 . 3 1 1 A 13 13 GLY H H 13 8.317 8.339 -0.022 1 1 78 . 3 1 1 A 13 13 GLY CA C 13 45.658 45.646 0.012 1 1 79 . 3 1 1 A 13 13 GLY HA3 H 13 3.920 4.154 -0.234 1 1 80 . 3 1 1 A 13 13 GLY C C 13 174.275 175.400 -1.125 1 1 81 . 3 1 1 A 13 13 GLY HA2 H 13 3.920 4.094 -0.174 1 1 82 . 3 1 1 A 14 14 LEU N N 14 120.990 121.169 -0.179 1 1 83 . 3 1 1 A 14 14 LEU H H 14 8.015 8.196 -0.181 1 1 84 . 3 1 1 A 14 14 LEU CA C 14 55.074 54.592 0.482 1 1 85 . 3 1 1 A 14 14 LEU HA H 14 4.283 4.521 -0.238 1 1 86 . 3 1 1 A 14 14 LEU CB C 14 42.572 41.663 0.909 1 1 98 . 3 1 1 A 14 14 LEU C C 14 177.365 177.552 -0.187 1 1 100 . 3 1 1 A 15 15 GLY N N 15 107.853 108.778 -0.925 1 1 101 . 3 1 1 A 15 15 GLY H H 15 8.198 7.951 0.247 1 1 102 . 3 1 1 A 15 15 GLY CA C 15 44.968 46.440 -1.472 1 1 103 . 3 1 1 A 15 15 GLY HA3 H 15 3.823 3.922 -0.099 1 1 104 . 3 1 1 A 15 15 GLY C C 15 173.829 174.731 -0.902 1 1 105 . 3 1 1 A 15 15 GLY HA2 H 15 3.783 3.859 -0.076 1 1 106 . 3 1 1 A 16 16 PHE N N 16 118.501 119.747 -1.246 1 1 107 . 3 1 1 A 16 16 PHE H H 16 7.868 7.779 0.089 1 1 108 . 3 1 1 A 16 16 PHE CA C 16 57.837 58.438 -0.601 1 1 109 . 3 1 1 A 16 16 PHE HA H 16 4.442 4.394 0.048 1 1 110 . 3 1 1 A 16 16 PHE CB C 16 40.278 39.273 1.005 1 1 122 . 3 1 1 A 16 16 PHE C C 16 176.569 175.547 1.022 1 1 124 . 3 1 1 A 17 17 LYS N N 17 126.087 123.189 2.898 1 1 125 . 3 1 1 A 17 17 LYS H H 17 8.611 8.365 0.246 1 1 126 . 3 1 1 A 17 17 LYS CA C 17 54.271 54.521 -0.250 1 1 127 . 3 1 1 A 17 17 LYS HA H 17 4.573 4.367 0.206 1 1 128 . 3 1 1 A 17 17 LYS CB C 17 32.818 33.001 -0.183 1 1 136 . 3 1 1 A 17 17 LYS C C 17 174.147 175.302 -1.155 1 1 141 . 3 1 1 A 18 18 PRO CA C 18 62.850 62.609 0.241 1 1 142 . 3 1 1 A 18 18 PRO HA H 18 4.647 4.715 -0.068 1 1 143 . 3 1 1 A 18 18 PRO CB C 18 31.990 32.520 -0.530 1 1 149 . 3 1 1 A 18 18 PRO C C 18 176.220 175.621 0.599 1 1 153 . 3 1 1 A 19 19 PHE N N 19 123.581 123.249 0.332 1 1 154 . 3 1 1 A 19 19 PHE H H 19 8.905 8.628 0.277 1 1 155 . 3 1 1 A 19 19 PHE CA C 19 57.402 56.037 1.365 1 1 156 . 3 1 1 A 19 19 PHE HA H 19 4.502 4.960 -0.458 1 1 157 . 3 1 1 A 19 19 PHE CB C 19 41.432 41.093 0.339 1 1 169 . 3 1 1 A 19 19 PHE C C 19 173.078 173.449 -0.371 1 1 171 . 3 1 1 A 20 20 ASP N N 20 126.229 125.011 1.218 1 1 172 . 3 1 1 A 20 20 ASP H H 20 7.412 8.687 -1.275 1 1 173 . 3 1 1 A 20 20 ASP CA C 20 52.686 52.694 -0.008 1 1 174 . 3 1 1 A 20 20 ASP HA H 20 5.248 5.019 0.229 1 1 175 . 3 1 1 A 20 20 ASP CB C 20 44.081 42.047 2.034 1 1 177 . 3 1 1 A 20 20 ASP C C 20 174.098 174.413 -0.315 1 1 179 . 3 1 1 A 21 21 LEU N N 21 123.421 122.085 1.336 1 1 180 . 3 1 1 A 21 21 LEU H H 21 8.641 8.310 0.331 1 1 181 . 3 1 1 A 21 21 LEU CA C 21 54.201 54.458 -0.257 1 1 182 . 3 1 1 A 21 21 LEU HA H 21 4.367 4.593 -0.226 1 1 183 . 3 1 1 A 21 21 LEU CB C 21 46.118 45.701 0.417 1 1 195 . 3 1 1 A 21 21 LEU C C 21 174.294 173.737 0.557 1 1 197 . 3 1 1 A 22 22 VAL N N 22 127.339 125.258 2.081 1 1 198 . 3 1 1 A 22 22 VAL H H 22 8.451 8.895 -0.444 1 1 199 . 3 1 1 A 22 22 VAL CA C 22 61.986 60.078 1.908 1 1 200 . 3 1 1 A 22 22 VAL HA H 22 4.572 4.781 -0.209 1 1 201 . 3 1 1 A 22 22 VAL CB C 22 32.276 34.230 -1.954 1 1 211 . 3 1 1 A 22 22 VAL C C 22 176.066 175.112 0.954 1 1 212 . 3 1 1 A 23 23 ILE N N 23 128.645 129.679 -1.034 1 1 213 . 3 1 1 A 23 23 ILE H H 23 8.998 8.573 0.425 1 1 214 . 3 1 1 A 23 23 ILE CA C 23 57.193 60.506 -3.313 1 1 215 . 3 1 1 A 23 23 ILE HA H 23 4.489 4.128 0.361 1 1 216 . 3 1 1 A 23 23 ILE CB C 23 38.455 37.540 0.915 1 1 228 . 3 1 1 A 23 23 ILE C C 23 175.434 176.485 -1.051 1 1 230 . 3 1 1 A 24 24 PRO CA C 24 63.319 65.249 -1.930 1 1 231 . 3 1 1 A 24 24 PRO HA H 24 4.600 4.377 0.223 1 1 232 . 3 1 1 A 24 24 PRO CB C 24 30.324 32.025 -1.701 1 1 238 . 3 1 1 A 24 24 PRO C C 24 174.946 176.565 -1.619 1 1 242 . 3 1 1 A 25 25 PHE N N 25 121.530 113.431 8.099 1 1 243 . 3 1 1 A 25 25 PHE H H 25 7.582 7.888 -0.306 1 1 244 . 3 1 1 A 25 25 PHE CA C 25 56.635 55.889 0.746 1 1 245 . 3 1 1 A 25 25 PHE HA H 25 4.552 4.600 -0.048 1 1 246 . 3 1 1 A 25 25 PHE CB C 25 40.977 40.638 0.339 1 1 258 . 3 1 1 A 25 25 PHE C C 25 172.831 175.156 -2.325 1 1 260 . 3 1 1 A 26 26 ALA N N 26 124.526 122.905 1.621 1 1 261 . 3 1 1 A 26 26 ALA H H 26 7.993 8.493 -0.500 1 1 262 . 3 1 1 A 26 26 ALA CA C 26 52.074 50.827 1.247 1 1 263 . 3 1 1 A 26 26 ALA HA H 26 4.221 4.612 -0.391 1 1 264 . 3 1 1 A 26 26 ALA CB C 26 18.862 20.521 -1.659 1 1 268 . 3 1 1 A 26 26 ALA C C 26 176.973 176.192 0.781 1 1 269 . 3 1 1 A 27 27 VAL N N 27 118.422 119.062 -0.640 1 1 270 . 3 1 1 A 27 27 VAL H H 27 8.046 8.300 -0.254 1 1 271 . 3 1 1 A 27 27 VAL CA C 27 61.375 59.605 1.770 1 1 272 . 3 1 1 A 27 27 VAL HA H 27 4.248 4.596 -0.348 1 1 273 . 3 1 1 A 27 27 VAL CB C 27 34.179 35.071 -0.892 1 1 283 . 3 1 1 A 27 27 VAL C C 27 175.445 173.032 2.413 1 1 284 . 3 1 1 A 28 28 ARG N N 28 122.785 124.953 -2.168 1 1 285 . 3 1 1 A 28 28 ARG H H 28 8.275 8.317 -0.042 1 1 286 . 3 1 1 A 28 28 ARG CA C 28 55.407 54.130 1.277 1 1 287 . 3 1 1 A 28 28 ARG HA H 28 4.473 4.636 -0.163 1 1 288 . 3 1 1 A 28 28 ARG CB C 28 31.087 32.928 -1.841 1 1 294 . 3 1 1 A 28 28 ARG C C 28 176.528 176.142 0.386 1 1 298 . 3 1 1 A 29 29 LYS N N 29 121.704 121.102 0.602 1 1 299 . 3 1 1 A 29 29 LYS H H 29 8.484 8.696 -0.212 1 1 300 . 3 1 1 A 29 29 LYS CA C 29 57.888 55.576 2.312 1 1 301 . 3 1 1 A 29 29 LYS HA H 29 4.170 4.455 -0.285 1 1 302 . 3 1 1 A 29 29 LYS CB C 29 32.564 30.726 1.838 1 1 310 . 3 1 1 A 29 29 LYS C C 29 177.124 176.725 0.399 1 1 315 . 3 1 1 A 30 30 GLY N N 30 109.946 109.523 0.423 1 1 316 . 3 1 1 A 30 30 GLY H H 30 8.546 8.306 0.240 1 1 317 . 3 1 1 A 30 30 GLY CA C 30 45.408 46.449 -1.041 1 1 318 . 3 1 1 A 30 30 GLY HA3 H 30 4.060 4.037 0.023 1 1 319 . 3 1 1 A 30 30 GLY C C 30 173.961 174.039 -0.078 1 1 320 . 3 1 1 A 30 30 GLY HA2 H 30 3.981 4.007 -0.026 1 1 321 . 3 1 1 A 31 31 GLU N N 31 118.290 117.347 0.943 1 1 322 . 3 1 1 A 31 31 GLU H H 31 8.088 8.131 -0.043 1 1 323 . 3 1 1 A 31 31 GLU CA C 31 56.979 55.630 1.349 1 1 324 . 3 1 1 A 31 31 GLU HA H 31 4.418 4.726 -0.308 1 1 325 . 3 1 1 A 31 31 GLU CB C 31 31.108 30.695 0.413 1 1 329 . 3 1 1 A 31 31 GLU C C 31 176.184 174.950 1.234 1 1 332 . 3 1 1 A 32 32 ILE N N 32 121.780 124.315 -2.535 1 1 333 . 3 1 1 A 32 32 ILE H H 32 8.155 8.681 -0.526 1 1 334 . 3 1 1 A 32 32 ILE CA C 32 58.252 59.808 -1.556 1 1 335 . 3 1 1 A 32 32 ILE HA H 32 5.409 4.947 0.462 1 1 336 . 3 1 1 A 32 32 ILE CB C 32 39.008 42.093 -3.085 1 1 348 . 3 1 1 A 32 32 ILE C C 32 175.262 173.761 1.501 1 1 350 . 3 1 1 A 33 33 THR N N 33 117.063 116.940 0.123 1 1 351 . 3 1 1 A 33 33 THR H H 33 8.906 8.455 0.451 1 1 352 . 3 1 1 A 33 33 THR CA C 33 59.591 59.817 -0.226 1 1 353 . 3 1 1 A 33 33 THR HA H 33 4.707 5.288 -0.581 1 1 354 . 3 1 1 A 33 33 THR CB C 33 72.003 72.380 -0.377 1 1 360 . 3 1 1 A 33 33 THR C C 33 173.146 173.285 -0.139 1 1 361 . 3 1 1 A 34 34 GLY N N 34 106.583 108.281 -1.698 1 1 362 . 3 1 1 A 34 34 GLY H H 34 8.603 8.491 0.112 1 1 363 . 3 1 1 A 34 34 GLY CA C 34 45.032 45.512 -0.480 1 1 364 . 3 1 1 A 34 34 GLY HA3 H 34 3.424 4.393 -0.969 1 1 365 . 3 1 1 A 34 34 GLY C C 34 172.260 172.149 0.111 1 1 366 . 3 1 1 A 34 34 GLY HA2 H 34 5.351 4.385 0.966 1 1 367 . 3 1 1 A 35 35 GLU N N 35 118.818 121.177 -2.359 1 1 368 . 3 1 1 A 35 35 GLU H H 35 8.756 8.648 0.108 1 1 369 . 3 1 1 A 35 35 GLU CA C 35 56.375 55.080 1.295 1 1 370 . 3 1 1 A 35 35 GLU HA H 35 4.739 5.076 -0.337 1 1 371 . 3 1 1 A 35 35 GLU CB C 35 34.673 33.898 0.775 1 1 375 . 3 1 1 A 35 35 GLU C C 35 173.645 174.641 -0.996 1 1 378 . 3 1 1 A 36 36 VAL N N 36 124.835 124.464 0.371 1 1 379 . 3 1 1 A 36 36 VAL H H 36 9.291 8.867 0.424 1 1 380 . 3 1 1 A 36 36 VAL CA C 36 60.780 61.498 -0.718 1 1 381 . 3 1 1 A 36 36 VAL HA H 36 4.751 4.695 0.056 1 1 382 . 3 1 1 A 36 36 VAL CB C 36 33.990 34.170 -0.180 1 1 392 . 3 1 1 A 36 36 VAL C C 36 174.137 174.677 -0.540 1 1 393 . 3 1 1 A 37 37 HIS N N 37 126.324 125.721 0.603 1 1 394 . 3 1 1 A 37 37 HIS H H 37 9.294 9.079 0.215 1 1 395 . 3 1 1 A 37 37 HIS CA C 37 54.625 55.343 -0.718 1 1 396 . 3 1 1 A 37 37 HIS HA H 37 4.751 4.987 -0.236 1 1 397 . 3 1 1 A 37 37 HIS CB C 37 30.676 30.986 -0.310 1 1 403 . 3 1 1 A 37 37 HIS C C 37 174.317 174.550 -0.233 1 1 405 . 3 1 1 A 38 38 MET N N 38 122.552 123.351 -0.799 1 1 406 . 3 1 1 A 38 38 MET H H 38 8.303 8.868 -0.565 1 1 407 . 3 1 1 A 38 38 MET CA C 38 54.086 54.674 -0.588 1 1 408 . 3 1 1 A 38 38 MET HA H 38 4.089 4.271 -0.182 1 1 409 . 3 1 1 A 38 38 MET CB C 38 32.900 32.082 0.818 1 1 417 . 3 1 1 A 38 38 MET C C 38 174.851 175.963 -1.112 1 1 420 . 3 1 1 A 39 39 PRO CA C 39 65.874 64.040 1.834 1 1 421 . 3 1 1 A 39 39 PRO HA H 39 4.156 4.312 -0.156 1 1 422 . 3 1 1 A 39 39 PRO CB C 39 31.312 31.709 -0.397 1 1 428 . 3 1 1 A 39 39 PRO C C 39 178.047 177.645 0.402 1 1 432 . 3 1 1 A 40 40 SER N N 40 111.214 111.930 -0.716 1 1 433 . 3 1 1 A 40 40 SER H H 40 8.759 7.658 1.101 1 1 434 . 3 1 1 A 40 40 SER CA C 40 59.667 58.355 1.312 1 1 435 . 3 1 1 A 40 40 SER HA H 40 4.089 4.448 -0.359 1 1 436 . 3 1 1 A 40 40 SER CB C 40 62.726 63.483 -0.757 1 1 438 . 3 1 1 A 40 40 SER C C 40 176.300 174.485 1.815 1 1 440 . 3 1 1 A 41 41 GLY N N 41 111.180 109.197 1.983 1 1 441 . 3 1 1 A 41 41 GLY H H 41 8.293 7.702 0.591 1 1 442 . 3 1 1 A 41 41 GLY CA C 41 44.624 45.168 -0.544 1 1 443 . 3 1 1 A 41 41 GLY HA3 H 41 3.620 3.967 -0.347 1 1 444 . 3 1 1 A 41 41 GLY C C 41 174.516 173.885 0.631 1 1 445 . 3 1 1 A 41 41 GLY HA2 H 41 4.447 3.964 0.483 1 1 446 . 3 1 1 A 42 42 LYS N N 42 120.452 119.518 0.934 1 1 447 . 3 1 1 A 42 42 LYS H H 42 7.038 7.820 -0.782 1 1 448 . 3 1 1 A 42 42 LYS CA C 42 56.944 54.399 2.545 1 1 449 . 3 1 1 A 42 42 LYS HA H 42 4.286 4.693 -0.407 1 1 450 . 3 1 1 A 42 42 LYS CB C 42 33.719 34.644 -0.925 1 1 457 . 3 1 1 A 42 42 LYS C C 42 175.050 175.013 0.037 1 1 462 . 3 1 1 A 43 43 THR N N 43 111.705 111.729 -0.024 1 1 463 . 3 1 1 A 43 43 THR H H 43 8.110 8.825 -0.715 1 1 464 . 3 1 1 A 43 43 THR CA C 43 59.653 59.782 -0.129 1 1 465 . 3 1 1 A 43 43 THR HA H 43 5.450 5.249 0.201 1 1 466 . 3 1 1 A 43 43 THR CB C 43 71.842 72.210 -0.368 1 1 472 . 3 1 1 A 43 43 THR C C 43 174.054 173.152 0.902 1 1 473 . 3 1 1 A 44 44 ALA N N 44 123.338 121.873 1.465 1 1 474 . 3 1 1 A 44 44 ALA H H 44 8.683 8.208 0.475 1 1 475 . 3 1 1 A 44 44 ALA CA C 44 50.752 51.585 -0.833 1 1 476 . 3 1 1 A 44 44 ALA HA H 44 4.798 4.829 -0.031 1 1 477 . 3 1 1 A 44 44 ALA CB C 44 24.091 22.863 1.228 1 1 481 . 3 1 1 A 44 44 ALA C C 44 175.947 175.833 0.114 1 1 482 . 3 1 1 A 45 45 THR N N 45 117.733 111.527 6.206 1 1 483 . 3 1 1 A 45 45 THR H H 45 8.934 8.504 0.430 1 1 484 . 3 1 1 A 45 45 THR CA C 45 59.517 59.359 0.158 1 1 485 . 3 1 1 A 45 45 THR HA H 45 4.894 4.852 0.042 1 1 486 . 3 1 1 A 45 45 THR CB C 45 70.403 69.547 0.856 1 1 492 . 3 1 1 A 45 45 THR C C 45 173.394 173.667 -0.273 1 1 493 . 3 1 1 A 46 46 PRO CA C 46 62.017 62.299 -0.282 1 1 494 . 3 1 1 A 46 46 PRO HA H 46 4.978 4.723 0.255 1 1 495 . 3 1 1 A 46 46 PRO CB C 46 32.885 33.201 -0.316 1 1 501 . 3 1 1 A 46 46 PRO C C 46 173.937 175.791 -1.854 1 1 505 . 3 1 1 A 47 47 GLU N N 47 120.450 120.678 -0.228 1 1 506 . 3 1 1 A 47 47 GLU H H 47 8.894 8.750 0.144 1 1 507 . 3 1 1 A 47 47 GLU CA C 47 56.040 55.260 0.780 1 1 508 . 3 1 1 A 47 47 GLU HA H 47 4.409 4.717 -0.308 1 1 509 . 3 1 1 A 47 47 GLU CB C 47 31.436 31.489 -0.053 1 1 513 . 3 1 1 A 47 47 GLU C C 47 175.160 175.058 0.102 1 1 516 . 3 1 1 A 48 48 ILE N N 48 124.818 128.054 -3.236 1 1 517 . 3 1 1 A 48 48 ILE H H 48 8.467 8.834 -0.367 1 1 518 . 3 1 1 A 48 48 ILE CA C 48 60.408 60.202 0.206 1 1 519 . 3 1 1 A 48 48 ILE HA H 48 4.727 4.532 0.195 1 1 520 . 3 1 1 A 48 48 ILE CB C 48 38.177 36.388 1.789 1 1 532 . 3 1 1 A 48 48 ILE C C 48 175.681 174.410 1.271 1 1 534 . 3 1 1 A 49 49 VAL N N 49 129.411 127.579 1.832 1 1 535 . 3 1 1 A 49 49 VAL H H 49 9.417 8.368 1.049 1 1 536 . 3 1 1 A 49 49 VAL CA C 49 61.259 60.636 0.623 1 1 537 . 3 1 1 A 49 49 VAL HA H 49 4.188 4.680 -0.492 1 1 538 . 3 1 1 A 49 49 VAL CB C 49 34.719 35.238 -0.519 1 1 548 . 3 1 1 A 49 49 VAL C C 49 174.654 173.399 1.255 1 1 549 . 3 1 1 A 50 50 ASP N N 50 125.078 127.683 -2.605 1 1 550 . 3 1 1 A 50 50 ASP H H 50 8.664 8.846 -0.182 1 1 551 . 3 1 1 A 50 50 ASP CA C 50 53.899 52.529 1.370 1 1 552 . 3 1 1 A 50 50 ASP HA H 50 4.683 5.403 -0.720 1 1 553 . 3 1 1 A 50 50 ASP CB C 50 41.270 42.389 -1.119 1 1 555 . 3 1 1 A 50 50 ASP C C 50 176.440 175.762 0.678 1 1 557 . 3 1 1 A 51 51 ASN N N 51 123.926 125.899 -1.973 1 1 558 . 3 1 1 A 51 51 ASN H H 51 8.212 8.749 -0.537 1 1 559 . 3 1 1 A 51 51 ASN CA C 51 53.917 53.748 0.169 1 1 560 . 3 1 1 A 51 51 ASN HA H 51 4.703 4.612 0.091 1 1 561 . 3 1 1 A 51 51 ASN CB C 51 38.667 39.475 -0.808 1 1 566 . 3 1 1 A 51 51 ASN C C 51 176.260 175.610 0.650 1 1 568 . 3 1 1 A 52 52 LYS N N 52 115.640 123.177 -7.537 1 1 569 . 3 1 1 A 52 52 LYS H H 52 9.145 8.608 0.537 1 1 570 . 3 1 1 A 52 52 LYS CA C 52 58.127 55.792 2.335 1 1 571 . 3 1 1 A 52 52 LYS HA H 52 4.040 4.451 -0.411 1 1 572 . 3 1 1 A 52 52 LYS CB C 52 29.405 32.701 -3.296 1 1 580 . 3 1 1 A 52 52 LYS C C 52 175.471 177.221 -1.750 1 1 585 . 3 1 1 A 53 53 ASP N N 53 117.607 120.019 -2.412 1 1 586 . 3 1 1 A 53 53 ASP H H 53 7.824 7.813 0.011 1 1 587 . 3 1 1 A 53 53 ASP CA C 53 52.598 54.527 -1.929 1 1 588 . 3 1 1 A 53 53 ASP HA H 53 4.690 4.845 -0.155 1 1 589 . 3 1 1 A 53 53 ASP CB C 53 40.929 43.444 -2.515 1 1 591 . 3 1 1 A 53 53 ASP C C 53 177.173 176.198 0.975 1 1 593 . 3 1 1 A 54 54 GLY N N 54 108.692 106.171 2.521 1 1 594 . 3 1 1 A 54 54 GLY H H 54 8.548 7.734 0.814 1 1 595 . 3 1 1 A 54 54 GLY CA C 54 45.161 45.086 0.075 1 1 596 . 3 1 1 A 54 54 GLY HA3 H 54 3.653 4.029 -0.376 1 1 597 . 3 1 1 A 54 54 GLY C C 54 173.737 173.571 0.166 1 1 598 . 3 1 1 A 54 54 GLY HA2 H 54 4.372 4.024 0.348 1 1 599 . 3 1 1 A 55 55 THR N N 55 110.165 109.932 0.233 1 1 600 . 3 1 1 A 55 55 THR H H 55 7.929 7.500 0.429 1 1 601 . 3 1 1 A 55 55 THR CA C 55 60.412 60.028 0.384 1 1 602 . 3 1 1 A 55 55 THR HA H 55 5.100 4.949 0.151 1 1 603 . 3 1 1 A 55 55 THR CB C 55 73.027 72.571 0.456 1 1 609 . 3 1 1 A 55 55 THR C C 55 174.206 172.208 1.998 1 1 610 . 3 1 1 A 56 56 VAL N N 56 115.822 120.006 -4.184 1 1 611 . 3 1 1 A 56 56 VAL H H 56 8.581 8.359 0.222 1 1 612 . 3 1 1 A 56 56 VAL CA C 56 59.608 60.053 -0.445 1 1 613 . 3 1 1 A 56 56 VAL HA H 56 5.132 5.274 -0.142 1 1 614 . 3 1 1 A 56 56 VAL CB C 56 35.607 35.219 0.388 1 1 624 . 3 1 1 A 56 56 VAL C C 56 174.437 175.035 -0.598 1 1 625 . 3 1 1 A 57 57 THR N N 57 120.574 121.369 -0.795 1 1 626 . 3 1 1 A 57 57 THR H H 57 9.151 8.910 0.241 1 1 627 . 3 1 1 A 57 57 THR CA C 57 61.543 61.528 0.015 1 1 628 . 3 1 1 A 57 57 THR HA H 57 5.021 5.012 0.009 1 1 629 . 3 1 1 A 57 57 THR CB C 57 71.080 71.362 -0.282 1 1 635 . 3 1 1 A 57 57 THR C C 57 173.190 173.228 -0.038 1 1 636 . 3 1 1 A 58 58 VAL N N 58 127.832 128.333 -0.501 1 1 637 . 3 1 1 A 58 58 VAL H H 58 9.296 9.202 0.094 1 1 638 . 3 1 1 A 58 58 VAL CA C 58 61.204 61.590 -0.386 1 1 639 . 3 1 1 A 58 58 VAL HA H 58 4.774 4.819 -0.045 1 1 640 . 3 1 1 A 58 58 VAL CB C 58 32.626 31.505 1.121 1 1 650 . 3 1 1 A 58 58 VAL C C 58 173.991 174.774 -0.783 1 1 651 . 3 1 1 A 59 59 ARG N N 59 126.761 129.595 -2.834 1 1 652 . 3 1 1 A 59 59 ARG H H 59 9.190 8.704 0.486 1 1 653 . 3 1 1 A 59 59 ARG CA C 59 54.384 54.417 -0.033 1 1 654 . 3 1 1 A 59 59 ARG HA H 59 5.488 5.625 -0.137 1 1 655 . 3 1 1 A 59 59 ARG CB C 59 34.262 33.538 0.724 1 1 661 . 3 1 1 A 59 59 ARG C C 59 174.849 174.089 0.760 1 1 665 . 3 1 1 A 60 60 TYR N N 60 123.838 127.386 -3.548 1 1 666 . 3 1 1 A 60 60 TYR H H 60 9.164 8.658 0.506 1 1 667 . 3 1 1 A 60 60 TYR CA C 60 56.684 56.879 -0.195 1 1 668 . 3 1 1 A 60 60 TYR HA H 60 5.024 5.344 -0.320 1 1 669 . 3 1 1 A 60 60 TYR CB C 60 42.761 42.220 0.541 1 1 675 . 3 1 1 A 60 60 TYR C C 60 171.861 173.769 -1.908 1 1 677 . 3 1 1 A 61 61 ALA N N 61 134.382 129.704 4.678 1 1 678 . 3 1 1 A 61 61 ALA H H 61 8.023 8.461 -0.438 1 1 679 . 3 1 1 A 61 61 ALA CA C 61 47.869 49.508 -1.639 1 1 680 . 3 1 1 A 61 61 ALA HA H 61 4.670 4.326 0.344 1 1 681 . 3 1 1 A 61 61 ALA CB C 61 18.685 19.731 -1.046 1 1 685 . 3 1 1 A 61 61 ALA C C 61 172.714 175.530 -2.816 1 1 686 . 3 1 1 A 62 62 PRO CA C 62 62.455 62.319 0.136 1 1 687 . 3 1 1 A 62 62 PRO HA H 62 4.137 4.288 -0.151 1 1 688 . 3 1 1 A 62 62 PRO CB C 62 33.972 31.714 2.258 1 1 694 . 3 1 1 A 62 62 PRO C C 62 175.567 176.582 -1.015 1 1 698 . 3 1 1 A 63 63 THR N N 63 106.145 113.390 -7.245 1 1 699 . 3 1 1 A 63 63 THR H H 63 8.819 8.637 0.182 1 1 700 . 3 1 1 A 63 63 THR CA C 63 60.795 63.623 -2.828 1 1 701 . 3 1 1 A 63 63 THR HA H 63 4.278 4.339 -0.061 1 1 702 . 3 1 1 A 63 63 THR CB C 63 70.379 69.392 0.987 1 1 708 . 3 1 1 A 63 63 THR C C 63 173.771 174.690 -0.919 1 1 709 . 3 1 1 A 64 64 GLU N N 64 119.851 119.238 0.613 1 1 710 . 3 1 1 A 64 64 GLU H H 64 7.217 7.622 -0.405 1 1 711 . 3 1 1 A 64 64 GLU CA C 64 54.483 54.758 -0.275 1 1 712 . 3 1 1 A 64 64 GLU HA H 64 4.560 4.570 -0.010 1 1 713 . 3 1 1 A 64 64 GLU CB C 64 33.675 33.844 -0.169 1 1 717 . 3 1 1 A 64 64 GLU C C 64 173.177 175.272 -2.095 1 1 720 . 3 1 1 A 65 65 VAL N N 65 114.914 119.661 -4.747 1 1 721 . 3 1 1 A 65 65 VAL H H 65 7.740 8.310 -0.570 1 1 722 . 3 1 1 A 65 65 VAL CA C 65 61.412 61.137 0.275 1 1 723 . 3 1 1 A 65 65 VAL HA H 65 3.730 4.286 -0.556 1 1 724 . 3 1 1 A 65 65 VAL CB C 65 33.477 33.209 0.268 1 1 734 . 3 1 1 A 65 65 VAL C C 65 176.588 175.142 1.446 1 1 735 . 3 1 1 A 66 66 GLY N N 66 108.948 108.589 0.359 1 1 736 . 3 1 1 A 66 66 GLY H H 66 8.821 7.880 0.941 1 1 737 . 3 1 1 A 66 66 GLY CA C 66 43.304 43.762 -0.458 1 1 738 . 3 1 1 A 66 66 GLY HA3 H 66 4.468 3.987 0.481 1 1 739 . 3 1 1 A 66 66 GLY C C 66 175.811 171.730 4.081 1 1 740 . 3 1 1 A 66 66 GLY HA2 H 66 3.184 3.882 -0.698 1 1 741 . 3 1 1 A 67 67 LEU N N 67 126.594 121.855 4.739 1 1 742 . 3 1 1 A 67 67 LEU H H 67 9.023 8.347 0.676 1 1 743 . 3 1 1 A 67 67 LEU CA C 67 56.432 53.622 2.810 1 1 744 . 3 1 1 A 67 67 LEU HA H 67 4.137 4.824 -0.687 1 1 745 . 3 1 1 A 67 67 LEU CB C 67 41.933 43.706 -1.773 1 1 757 . 3 1 1 A 67 67 LEU C C 67 174.817 174.566 0.251 1 1 759 . 3 1 1 A 68 68 HIS N N 68 127.130 126.190 0.940 1 1 760 . 3 1 1 A 68 68 HIS H H 68 9.165 8.539 0.626 1 1 761 . 3 1 1 A 68 68 HIS CA C 68 54.518 54.569 -0.051 1 1 762 . 3 1 1 A 68 68 HIS HA H 68 4.562 5.041 -0.479 1 1 763 . 3 1 1 A 68 68 HIS CB C 68 32.159 31.638 0.521 1 1 769 . 3 1 1 A 68 68 HIS C C 68 173.717 173.526 0.191 1 1 771 . 3 1 1 A 69 69 GLU N N 69 116.428 124.067 -7.639 1 1 772 . 3 1 1 A 69 69 GLU H H 69 8.096 8.610 -0.514 1 1 773 . 3 1 1 A 69 69 GLU CA C 69 54.625 54.852 -0.227 1 1 774 . 3 1 1 A 69 69 GLU HA H 69 5.274 5.229 0.045 1 1 775 . 3 1 1 A 69 69 GLU CB C 69 34.361 32.662 1.699 1 1 779 . 3 1 1 A 69 69 GLU C C 69 174.811 174.904 -0.093 1 1 782 . 3 1 1 A 70 70 MET N N 70 126.104 127.807 -1.703 1 1 783 . 3 1 1 A 70 70 MET H H 70 9.874 9.566 0.308 1 1 784 . 3 1 1 A 70 70 MET CA C 70 54.399 54.232 0.167 1 1 785 . 3 1 1 A 70 70 MET HA H 70 5.272 5.303 -0.031 1 1 786 . 3 1 1 A 70 70 MET CB C 70 36.158 35.073 1.085 1 1 794 . 3 1 1 A 70 70 MET C C 70 173.699 175.267 -1.568 1 1 797 . 3 1 1 A 71 71 HIS N N 71 129.007 122.682 6.325 1 1 798 . 3 1 1 A 71 71 HIS H H 71 9.533 9.213 0.320 1 1 799 . 3 1 1 A 71 71 HIS CA C 71 54.201 54.504 -0.303 1 1 800 . 3 1 1 A 71 71 HIS HA H 71 5.273 5.204 0.069 1 1 801 . 3 1 1 A 71 71 HIS CB C 71 33.546 31.884 1.662 1 1 807 . 3 1 1 A 71 71 HIS C C 71 174.997 174.139 0.858 1 1 809 . 3 1 1 A 72 72 ILE N N 72 126.123 123.811 2.312 1 1 810 . 3 1 1 A 72 72 ILE H H 72 9.842 9.046 0.796 1 1 811 . 3 1 1 A 72 72 ILE CA C 72 60.037 59.852 0.185 1 1 812 . 3 1 1 A 72 72 ILE HA H 72 4.885 4.983 -0.098 1 1 813 . 3 1 1 A 72 72 ILE CB C 72 40.102 40.508 -0.406 1 1 825 . 3 1 1 A 72 72 ILE C C 72 173.955 175.259 -1.304 1 1 827 . 3 1 1 A 73 73 LYS N N 73 124.414 125.248 -0.834 1 1 828 . 3 1 1 A 73 73 LYS H H 73 8.854 8.546 0.308 1 1 829 . 3 1 1 A 73 73 LYS CA C 73 54.200 54.868 -0.668 1 1 830 . 3 1 1 A 73 73 LYS HA H 73 4.964 5.068 -0.104 1 1 831 . 3 1 1 A 73 73 LYS CB C 73 36.335 35.868 0.467 1 1 839 . 3 1 1 A 73 73 LYS C C 73 174.360 174.088 0.272 1 1 844 . 3 1 1 A 74 74 TYR N N 74 121.190 126.238 -5.048 1 1 845 . 3 1 1 A 74 74 TYR H H 74 8.979 9.292 -0.313 1 1 846 . 3 1 1 A 74 74 TYR CA C 74 55.271 57.585 -2.314 1 1 847 . 3 1 1 A 74 74 TYR HA H 74 5.365 4.932 0.433 1 1 848 . 3 1 1 A 74 74 TYR CB C 74 41.143 40.521 0.622 1 1 858 . 3 1 1 A 74 74 TYR C C 74 175.646 175.039 0.607 1 1 860 . 3 1 1 A 75 75 MET N N 75 125.219 127.253 -2.034 1 1 861 . 3 1 1 A 75 75 MET H H 75 9.096 9.452 -0.356 1 1 862 . 3 1 1 A 75 75 MET CA C 75 56.166 56.669 -0.503 1 1 863 . 3 1 1 A 75 75 MET HA H 75 3.920 4.115 -0.195 1 1 864 . 3 1 1 A 75 75 MET CB C 75 29.423 31.252 -1.829 1 1 872 . 3 1 1 A 75 75 MET C C 75 176.809 176.286 0.523 1 1 875 . 3 1 1 A 76 76 GLY N N 76 102.874 104.680 -1.806 1 1 876 . 3 1 1 A 76 76 GLY H H 76 8.573 8.658 -0.085 1 1 877 . 3 1 1 A 76 76 GLY CA C 76 45.421 45.659 -0.238 1 1 878 . 3 1 1 A 76 76 GLY HA3 H 76 4.221 3.814 0.407 1 1 879 . 3 1 1 A 76 76 GLY C C 76 174.014 173.627 0.387 1 1 880 . 3 1 1 A 76 76 GLY HA2 H 76 3.471 3.807 -0.336 1 1 881 . 3 1 1 A 77 77 SER N N 77 115.868 112.712 3.156 1 1 882 . 3 1 1 A 77 77 SER H H 77 7.609 7.696 -0.087 1 1 883 . 3 1 1 A 77 77 SER CA C 77 56.956 56.814 0.142 1 1 884 . 3 1 1 A 77 77 SER HA H 77 4.935 4.993 -0.058 1 1 885 . 3 1 1 A 77 77 SER CB C 77 65.336 65.220 0.116 1 1 887 . 3 1 1 A 77 77 SER C C 77 173.677 173.077 0.600 1 1 889 . 3 1 1 A 78 78 HIS N N 78 124.606 123.535 1.071 1 1 890 . 3 1 1 A 78 78 HIS H H 78 8.751 8.965 -0.214 1 1 891 . 3 1 1 A 78 78 HIS CA C 78 59.005 57.063 1.942 1 1 892 . 3 1 1 A 78 78 HIS HA H 78 4.617 4.772 -0.155 1 1 893 . 3 1 1 A 78 78 HIS CB C 78 32.066 30.600 1.466 1 1 899 . 3 1 1 A 78 78 HIS C C 78 178.429 175.736 2.693 1 1 901 . 3 1 1 A 79 79 ILE N N 79 117.547 119.706 -2.159 1 1 902 . 3 1 1 A 79 79 ILE H H 79 8.102 8.847 -0.745 1 1 903 . 3 1 1 A 79 79 ILE CA C 79 61.442 59.120 2.322 1 1 904 . 3 1 1 A 79 79 ILE HA H 79 4.737 4.551 0.186 1 1 905 . 3 1 1 A 79 79 ILE CB C 79 35.644 37.990 -2.346 1 1 917 . 3 1 1 A 79 79 ILE C C 79 174.657 176.014 -1.357 1 1 919 . 3 1 1 A 80 80 PRO CA C 80 66.398 64.288 2.110 1 1 920 . 3 1 1 A 80 80 PRO HA H 80 4.296 4.527 -0.231 1 1 921 . 3 1 1 A 80 80 PRO CB C 80 31.380 31.514 -0.134 1 1 927 . 3 1 1 A 80 80 PRO C C 80 177.763 176.936 0.827 1 1 931 . 3 1 1 A 81 81 GLU N N 81 114.279 117.364 -3.085 1 1 932 . 3 1 1 A 81 81 GLU H H 81 8.913 8.367 0.546 1 1 933 . 3 1 1 A 81 81 GLU CA C 81 58.285 56.711 1.574 1 1 934 . 3 1 1 A 81 81 GLU HA H 81 4.043 4.584 -0.541 1 1 935 . 3 1 1 A 81 81 GLU CB C 81 29.010 31.409 -2.399 1 1 939 . 3 1 1 A 81 81 GLU C C 81 174.743 175.811 -1.068 1 1 942 . 3 1 1 A 82 82 SER N N 82 112.700 116.408 -3.708 1 1 943 . 3 1 1 A 82 82 SER H H 82 7.918 7.687 0.231 1 1 944 . 3 1 1 A 82 82 SER CA C 82 54.519 55.942 -1.423 1 1 945 . 3 1 1 A 82 82 SER HA H 82 4.798 4.873 -0.075 1 1 946 . 3 1 1 A 82 82 SER CB C 82 64.077 65.750 -1.673 1 1 948 . 3 1 1 A 82 82 SER C C 82 173.394 171.597 1.797 1 1 950 . 3 1 1 A 83 83 PRO CA C 83 62.597 62.688 -0.091 1 1 951 . 3 1 1 A 83 83 PRO HA H 83 5.247 4.729 0.518 1 1 952 . 3 1 1 A 83 83 PRO CB C 83 34.681 32.301 2.380 1 1 958 . 3 1 1 A 83 83 PRO C C 83 175.783 176.367 -0.584 1 1 962 . 3 1 1 A 84 84 LEU N N 84 123.427 116.886 6.541 1 1 963 . 3 1 1 A 84 84 LEU H H 84 9.099 8.045 1.054 1 1 964 . 3 1 1 A 84 84 LEU CA C 84 54.413 52.362 2.051 1 1 965 . 3 1 1 A 84 84 LEU HA H 84 4.893 5.308 -0.415 1 1 966 . 3 1 1 A 84 84 LEU CB C 84 44.452 46.165 -1.713 1 1 978 . 3 1 1 A 84 84 LEU C C 84 176.054 175.321 0.733 1 1 980 . 3 1 1 A 85 85 GLN N N 85 122.438 118.170 4.268 1 1 981 . 3 1 1 A 85 85 GLN H H 85 8.869 8.956 -0.087 1 1 982 . 3 1 1 A 85 85 GLN CA C 85 54.811 54.223 0.588 1 1 983 . 3 1 1 A 85 85 GLN HA H 85 5.359 5.554 -0.195 1 1 984 . 3 1 1 A 85 85 GLN CB C 85 30.972 32.146 -1.174 1 1 991 . 3 1 1 A 85 85 GLN C C 85 175.687 175.073 0.614 1 1 994 . 3 1 1 A 86 86 PHE N N 86 118.108 117.690 0.418 1 1 995 . 3 1 1 A 86 86 PHE H H 86 8.483 8.573 -0.090 1 1 996 . 3 1 1 A 86 86 PHE CA C 86 56.104 55.545 0.559 1 1 997 . 3 1 1 A 86 86 PHE HA H 86 4.917 5.661 -0.744 1 1 998 . 3 1 1 A 86 86 PHE CB C 86 40.732 42.386 -1.654 1 1 1010 . 3 1 1 A 86 86 PHE C C 86 171.607 172.164 -0.557 1 1 1012 . 3 1 1 A 87 87 TYR N N 87 124.521 124.779 -0.258 1 1 1013 . 3 1 1 A 87 87 TYR H H 87 9.179 9.076 0.103 1 1 1014 . 3 1 1 A 87 87 TYR CA C 87 57.832 57.469 0.363 1 1 1015 . 3 1 1 A 87 87 TYR HA H 87 4.643 5.216 -0.573 1 1 1016 . 3 1 1 A 87 87 TYR CB C 87 40.731 40.445 0.286 1 1 1026 . 3 1 1 A 87 87 TYR C C 87 175.145 174.406 0.739 1 1 1028 . 3 1 1 A 88 88 VAL N N 88 129.828 126.814 3.014 1 1 1029 . 3 1 1 A 88 88 VAL H H 88 7.865 8.023 -0.158 1 1 1030 . 3 1 1 A 88 88 VAL CA C 88 61.875 61.951 -0.076 1 1 1031 . 3 1 1 A 88 88 VAL HA H 88 4.219 4.378 -0.159 1 1 1032 . 3 1 1 A 88 88 VAL CB C 88 32.943 32.099 0.844 1 1 1042 . 3 1 1 A 88 88 VAL C C 88 174.472 175.605 -1.133 1 1 1043 . 3 1 1 A 89 89 ASN N N 89 124.798 126.538 -1.740 1 1 1044 . 3 1 1 A 89 89 ASN H H 89 8.649 8.903 -0.254 1 1 1045 . 3 1 1 A 89 89 ASN CA C 89 52.062 52.787 -0.725 1 1 1046 . 3 1 1 A 89 89 ASN HA H 89 5.024 5.043 -0.019 1 1 1047 . 3 1 1 A 89 89 ASN CB C 89 41.470 39.734 1.736 1 1 1052 . 3 1 1 A 89 89 ASN C C 89 175.232 174.744 0.488 1 1 1054 . 3 1 1 A 90 90 TYR N N 90 119.662 124.539 -4.877 1 1 1055 . 3 1 1 A 90 90 TYR H H 90 8.559 8.945 -0.386 1 1 1056 . 3 1 1 A 90 90 TYR CA C 90 58.020 56.984 1.036 1 1 1057 . 3 1 1 A 90 90 TYR HA H 90 4.485 4.853 -0.368 1 1 1058 . 3 1 1 A 90 90 TYR CB C 90 37.880 39.985 -2.105 1 1 1068 . 3 1 1 A 90 90 TYR C C 90 174.972 174.570 0.402 1 1 1070 . 3 1 1 A 91 91 PRO CA C 91 63.396 61.961 1.435 1 1 1071 . 3 1 1 A 91 91 PRO HA H 91 4.337 4.451 -0.114 1 1 1072 . 3 1 1 A 91 91 PRO CB C 91 32.028 30.774 1.254 1 1 1081 . 3 1 1 A 92 92 ASN N N 92 118.175 117.902 0.273 1 1 1082 . 3 1 1 A 92 92 ASN H H 92 8.429 8.315 0.114 1 1 1083 . 3 1 1 A 92 92 ASN CA C 92 53.343 52.910 0.433 1 1 1084 . 3 1 1 A 92 92 ASN HA H 92 4.691 5.061 -0.370 1 1 1085 . 3 1 1 A 92 92 ASN CB C 92 39.000 38.989 0.011 1 1 1091 . 3 1 1 A 93 93 SER N N 93 115.984 114.216 1.768 1 1 1092 . 3 1 1 A 93 93 SER H H 93 8.344 8.948 -0.604 1 1 1093 . 3 1 1 A 93 93 SER CA C 93 58.618 59.359 -0.741 1 1 1094 . 3 1 1 A 93 93 SER HA H 93 4.474 4.051 0.423 1 1 1095 . 3 1 1 A 93 93 SER CB C 93 63.894 61.959 1.935 1 1 1098 . 3 1 1 A 94 94 GLY N N 94 111.442 107.664 3.778 1 1 1099 . 3 1 1 A 94 94 GLY H H 94 8.499 7.990 0.509 1 1 1100 . 3 1 1 A 94 94 GLY CA C 94 45.417 46.681 -1.264 1 1 1101 . 3 1 1 A 94 94 GLY HA3 H 94 4.016 3.773 0.243 1 1 1102 . 3 1 1 A 94 94 GLY C C 94 173.391 175.374 -1.983 1 1 1103 . 3 1 1 A 94 94 GLY HA2 H 94 4.016 3.723 0.293 1 1 1 . 4 1 1 A 2 2 SER CA C 2 58.268 57.727 0.541 1 1 2 . 4 1 1 A 2 2 SER CB C 2 63.729 66.399 -2.670 1 1 3 . 4 1 1 A 2 2 SER C C 2 174.818 173.543 1.275 1 1 4 . 4 1 1 A 3 3 SER CA C 3 58.693 57.633 1.060 1 1 5 . 4 1 1 A 3 3 SER CB C 3 63.906 64.298 -0.392 1 1 6 . 4 1 1 A 3 3 SER C C 3 174.981 175.161 -0.180 1 1 7 . 4 1 1 A 5 5 SER C C 5 178.688 174.004 4.684 1 1 8 . 4 1 1 A 6 6 SER CA C 6 58.453 57.848 0.605 1 1 9 . 4 1 1 A 6 6 SER HA H 6 4.502 4.973 -0.471 1 1 10 . 4 1 1 A 6 6 SER CB C 6 63.956 63.420 0.536 1 1 13 . 4 1 1 A 7 7 GLY N N 7 110.931 111.797 -0.866 1 1 14 . 4 1 1 A 7 7 GLY H H 7 8.436 8.338 0.098 1 1 15 . 4 1 1 A 7 7 GLY CA C 7 45.357 45.571 -0.214 1 1 16 . 4 1 1 A 7 7 GLY HA3 H 7 3.979 4.186 -0.207 1 1 17 . 4 1 1 A 7 7 GLY C C 7 174.128 171.965 2.163 1 1 18 . 4 1 1 A 7 7 GLY HA2 H 7 3.979 4.186 -0.207 1 1 19 . 4 1 1 A 8 8 VAL N N 8 119.070 122.830 -3.760 1 1 20 . 4 1 1 A 8 8 VAL H H 8 8.006 8.218 -0.212 1 1 21 . 4 1 1 A 8 8 VAL CA C 8 62.332 63.032 -0.700 1 1 22 . 4 1 1 A 8 8 VAL HA H 8 4.180 4.204 -0.024 1 1 23 . 4 1 1 A 8 8 VAL CB C 8 32.819 31.863 0.956 1 1 33 . 4 1 1 A 8 8 VAL C C 8 176.359 175.914 0.445 1 1 34 . 4 1 1 A 9 9 SER N N 9 119.223 122.721 -3.498 1 1 35 . 4 1 1 A 9 9 SER H H 9 8.418 8.578 -0.160 1 1 36 . 4 1 1 A 9 9 SER CA C 9 58.392 58.257 0.135 1 1 37 . 4 1 1 A 9 9 SER HA H 9 4.469 4.345 0.124 1 1 38 . 4 1 1 A 9 9 SER CB C 9 63.948 63.325 0.623 1 1 40 . 4 1 1 A 9 9 SER C C 9 174.256 173.706 0.550 1 1 42 . 4 1 1 A 10 10 ASP N N 10 122.453 129.346 -6.893 1 1 43 . 4 1 1 A 10 10 ASP H H 10 8.311 8.781 -0.470 1 1 44 . 4 1 1 A 10 10 ASP CA C 10 54.450 53.932 0.518 1 1 45 . 4 1 1 A 10 10 ASP HA H 10 4.592 4.744 -0.152 1 1 46 . 4 1 1 A 10 10 ASP CB C 10 41.174 41.446 -0.272 1 1 48 . 4 1 1 A 10 10 ASP C C 10 176.480 175.872 0.608 1 1 50 . 4 1 1 A 11 11 MET N N 11 120.428 122.097 -1.669 1 1 51 . 4 1 1 A 11 11 MET H H 11 8.340 8.507 -0.167 1 1 52 . 4 1 1 A 11 11 MET CA C 11 55.757 54.931 0.826 1 1 53 . 4 1 1 A 11 11 MET HA H 11 4.418 4.526 -0.108 1 1 54 . 4 1 1 A 11 11 MET CB C 11 32.457 34.097 -1.640 1 1 62 . 4 1 1 A 11 11 MET C C 11 176.391 177.279 -0.888 1 1 65 . 4 1 1 A 12 12 ASN N N 12 118.914 117.056 1.858 1 1 66 . 4 1 1 A 12 12 ASN H H 12 8.416 8.623 -0.207 1 1 67 . 4 1 1 A 12 12 ASN CA C 12 53.687 52.719 0.968 1 1 68 . 4 1 1 A 12 12 ASN HA H 12 4.660 4.914 -0.254 1 1 69 . 4 1 1 A 12 12 ASN CB C 12 38.924 39.545 -0.621 1 1 74 . 4 1 1 A 12 12 ASN C C 12 175.770 176.063 -0.293 1 1 76 . 4 1 1 A 13 13 GLY N N 13 108.888 108.823 0.065 1 1 77 . 4 1 1 A 13 13 GLY H H 13 8.317 8.397 -0.080 1 1 78 . 4 1 1 A 13 13 GLY CA C 13 45.658 46.527 -0.869 1 1 79 . 4 1 1 A 13 13 GLY HA3 H 13 3.920 3.980 -0.060 1 1 80 . 4 1 1 A 13 13 GLY C C 13 174.275 173.209 1.066 1 1 81 . 4 1 1 A 13 13 GLY HA2 H 13 3.920 3.978 -0.058 1 1 82 . 4 1 1 A 14 14 LEU N N 14 120.990 124.723 -3.733 1 1 83 . 4 1 1 A 14 14 LEU H H 14 8.015 8.118 -0.103 1 1 84 . 4 1 1 A 14 14 LEU CA C 14 55.074 53.591 1.483 1 1 85 . 4 1 1 A 14 14 LEU HA H 14 4.283 4.946 -0.663 1 1 86 . 4 1 1 A 14 14 LEU CB C 14 42.572 44.491 -1.919 1 1 98 . 4 1 1 A 14 14 LEU C C 14 177.365 174.940 2.425 1 1 100 . 4 1 1 A 15 15 GLY N N 15 107.853 112.887 -5.034 1 1 101 . 4 1 1 A 15 15 GLY H H 15 8.198 8.407 -0.209 1 1 102 . 4 1 1 A 15 15 GLY CA C 15 44.968 45.684 -0.716 1 1 103 . 4 1 1 A 15 15 GLY HA3 H 15 3.823 4.122 -0.299 1 1 104 . 4 1 1 A 15 15 GLY C C 15 173.829 172.191 1.638 1 1 105 . 4 1 1 A 15 15 GLY HA2 H 15 3.783 3.949 -0.166 1 1 106 . 4 1 1 A 16 16 PHE N N 16 118.501 121.029 -2.528 1 1 107 . 4 1 1 A 16 16 PHE H H 16 7.868 8.492 -0.624 1 1 108 . 4 1 1 A 16 16 PHE CA C 16 57.837 57.214 0.623 1 1 109 . 4 1 1 A 16 16 PHE HA H 16 4.442 4.926 -0.484 1 1 110 . 4 1 1 A 16 16 PHE CB C 16 40.278 41.705 -1.427 1 1 122 . 4 1 1 A 16 16 PHE C C 16 176.569 174.994 1.575 1 1 124 . 4 1 1 A 17 17 LYS N N 17 126.087 124.036 2.051 1 1 125 . 4 1 1 A 17 17 LYS H H 17 8.611 8.454 0.157 1 1 126 . 4 1 1 A 17 17 LYS CA C 17 54.271 54.801 -0.530 1 1 127 . 4 1 1 A 17 17 LYS HA H 17 4.573 4.256 0.317 1 1 128 . 4 1 1 A 17 17 LYS CB C 17 32.818 33.057 -0.239 1 1 136 . 4 1 1 A 17 17 LYS C C 17 174.147 175.084 -0.937 1 1 141 . 4 1 1 A 18 18 PRO CA C 18 62.850 62.532 0.318 1 1 142 . 4 1 1 A 18 18 PRO HA H 18 4.647 4.732 -0.085 1 1 143 . 4 1 1 A 18 18 PRO CB C 18 31.990 32.758 -0.768 1 1 149 . 4 1 1 A 18 18 PRO C C 18 176.220 175.613 0.607 1 1 153 . 4 1 1 A 19 19 PHE N N 19 123.581 123.480 0.101 1 1 154 . 4 1 1 A 19 19 PHE H H 19 8.905 8.571 0.334 1 1 155 . 4 1 1 A 19 19 PHE CA C 19 57.402 56.390 1.012 1 1 156 . 4 1 1 A 19 19 PHE HA H 19 4.502 4.926 -0.424 1 1 157 . 4 1 1 A 19 19 PHE CB C 19 41.432 42.006 -0.574 1 1 169 . 4 1 1 A 19 19 PHE C C 19 173.078 173.241 -0.163 1 1 171 . 4 1 1 A 20 20 ASP N N 20 126.229 126.297 -0.068 1 1 172 . 4 1 1 A 20 20 ASP H H 20 7.412 8.744 -1.332 1 1 173 . 4 1 1 A 20 20 ASP CA C 20 52.686 53.291 -0.605 1 1 174 . 4 1 1 A 20 20 ASP HA H 20 5.248 5.021 0.227 1 1 175 . 4 1 1 A 20 20 ASP CB C 20 44.081 42.815 1.266 1 1 177 . 4 1 1 A 20 20 ASP C C 20 174.098 174.334 -0.236 1 1 179 . 4 1 1 A 21 21 LEU N N 21 123.421 126.849 -3.428 1 1 180 . 4 1 1 A 21 21 LEU H H 21 8.641 8.899 -0.258 1 1 181 . 4 1 1 A 21 21 LEU CA C 21 54.201 53.018 1.183 1 1 182 . 4 1 1 A 21 21 LEU HA H 21 4.367 5.271 -0.904 1 1 183 . 4 1 1 A 21 21 LEU CB C 21 46.118 46.176 -0.058 1 1 195 . 4 1 1 A 21 21 LEU C C 21 174.294 173.891 0.403 1 1 197 . 4 1 1 A 22 22 VAL N N 22 127.339 123.181 4.158 1 1 198 . 4 1 1 A 22 22 VAL H H 22 8.451 9.045 -0.594 1 1 199 . 4 1 1 A 22 22 VAL CA C 22 61.986 59.915 2.071 1 1 200 . 4 1 1 A 22 22 VAL HA H 22 4.572 4.932 -0.360 1 1 201 . 4 1 1 A 22 22 VAL CB C 22 32.276 34.052 -1.776 1 1 211 . 4 1 1 A 22 22 VAL C C 22 176.066 174.553 1.513 1 1 212 . 4 1 1 A 23 23 ILE N N 23 128.645 128.512 0.133 1 1 213 . 4 1 1 A 23 23 ILE H H 23 8.998 8.523 0.475 1 1 214 . 4 1 1 A 23 23 ILE CA C 23 57.193 59.240 -2.047 1 1 215 . 4 1 1 A 23 23 ILE HA H 23 4.489 4.267 0.222 1 1 216 . 4 1 1 A 23 23 ILE CB C 23 38.455 37.480 0.975 1 1 228 . 4 1 1 A 23 23 ILE C C 23 175.434 176.156 -0.722 1 1 230 . 4 1 1 A 24 24 PRO CA C 24 63.319 65.291 -1.972 1 1 231 . 4 1 1 A 24 24 PRO HA H 24 4.600 4.348 0.252 1 1 232 . 4 1 1 A 24 24 PRO CB C 24 30.324 31.967 -1.643 1 1 238 . 4 1 1 A 24 24 PRO C C 24 174.946 176.719 -1.773 1 1 242 . 4 1 1 A 25 25 PHE N N 25 121.530 114.453 7.077 1 1 243 . 4 1 1 A 25 25 PHE H H 25 7.582 7.833 -0.251 1 1 244 . 4 1 1 A 25 25 PHE CA C 25 56.635 56.263 0.372 1 1 245 . 4 1 1 A 25 25 PHE HA H 25 4.552 4.557 -0.005 1 1 246 . 4 1 1 A 25 25 PHE CB C 25 40.977 39.776 1.201 1 1 258 . 4 1 1 A 25 25 PHE C C 25 172.831 175.135 -2.304 1 1 260 . 4 1 1 A 26 26 ALA N N 26 124.526 122.505 2.021 1 1 261 . 4 1 1 A 26 26 ALA H H 26 7.993 8.588 -0.595 1 1 262 . 4 1 1 A 26 26 ALA CA C 26 52.074 50.658 1.416 1 1 263 . 4 1 1 A 26 26 ALA HA H 26 4.221 4.931 -0.710 1 1 264 . 4 1 1 A 26 26 ALA CB C 26 18.862 21.006 -2.144 1 1 268 . 4 1 1 A 26 26 ALA C C 26 176.973 176.289 0.684 1 1 269 . 4 1 1 A 27 27 VAL N N 27 118.422 118.190 0.232 1 1 270 . 4 1 1 A 27 27 VAL H H 27 8.046 8.498 -0.452 1 1 271 . 4 1 1 A 27 27 VAL CA C 27 61.375 60.043 1.332 1 1 272 . 4 1 1 A 27 27 VAL HA H 27 4.248 4.573 -0.325 1 1 273 . 4 1 1 A 27 27 VAL CB C 27 34.179 34.608 -0.429 1 1 283 . 4 1 1 A 27 27 VAL C C 27 175.445 173.818 1.627 1 1 284 . 4 1 1 A 28 28 ARG N N 28 122.785 126.286 -3.501 1 1 285 . 4 1 1 A 28 28 ARG H H 28 8.275 8.701 -0.426 1 1 286 . 4 1 1 A 28 28 ARG CA C 28 55.407 54.935 0.472 1 1 287 . 4 1 1 A 28 28 ARG HA H 28 4.473 4.648 -0.175 1 1 288 . 4 1 1 A 28 28 ARG CB C 28 31.087 30.573 0.514 1 1 294 . 4 1 1 A 28 28 ARG C C 28 176.528 175.393 1.135 1 1 298 . 4 1 1 A 29 29 LYS N N 29 121.704 115.334 6.370 1 1 299 . 4 1 1 A 29 29 LYS H H 29 8.484 7.982 0.502 1 1 300 . 4 1 1 A 29 29 LYS CA C 29 57.888 57.400 0.488 1 1 301 . 4 1 1 A 29 29 LYS HA H 29 4.170 3.880 0.290 1 1 302 . 4 1 1 A 29 29 LYS CB C 29 32.564 29.747 2.817 1 1 310 . 4 1 1 A 29 29 LYS C C 29 177.124 176.325 0.799 1 1 315 . 4 1 1 A 30 30 GLY N N 30 109.946 107.112 2.834 1 1 316 . 4 1 1 A 30 30 GLY H H 30 8.546 8.103 0.443 1 1 317 . 4 1 1 A 30 30 GLY CA C 30 45.408 44.708 0.700 1 1 318 . 4 1 1 A 30 30 GLY HA3 H 30 4.060 4.138 -0.078 1 1 319 . 4 1 1 A 30 30 GLY C C 30 173.961 175.006 -1.045 1 1 320 . 4 1 1 A 30 30 GLY HA2 H 30 3.981 4.082 -0.101 1 1 321 . 4 1 1 A 31 31 GLU N N 31 118.290 123.492 -5.202 1 1 322 . 4 1 1 A 31 31 GLU H H 31 8.088 8.554 -0.466 1 1 323 . 4 1 1 A 31 31 GLU CA C 31 56.979 56.515 0.464 1 1 324 . 4 1 1 A 31 31 GLU HA H 31 4.418 4.463 -0.045 1 1 325 . 4 1 1 A 31 31 GLU CB C 31 31.108 30.055 1.053 1 1 329 . 4 1 1 A 31 31 GLU C C 31 176.184 175.347 0.837 1 1 332 . 4 1 1 A 32 32 ILE N N 32 121.780 122.289 -0.509 1 1 333 . 4 1 1 A 32 32 ILE H H 32 8.155 7.534 0.621 1 1 334 . 4 1 1 A 32 32 ILE CA C 32 58.252 59.935 -1.683 1 1 335 . 4 1 1 A 32 32 ILE HA H 32 5.409 5.045 0.364 1 1 336 . 4 1 1 A 32 32 ILE CB C 32 39.008 40.668 -1.660 1 1 348 . 4 1 1 A 32 32 ILE C C 32 175.262 174.438 0.824 1 1 350 . 4 1 1 A 33 33 THR N N 33 117.063 115.924 1.139 1 1 351 . 4 1 1 A 33 33 THR H H 33 8.906 8.650 0.256 1 1 352 . 4 1 1 A 33 33 THR CA C 33 59.591 60.126 -0.535 1 1 353 . 4 1 1 A 33 33 THR HA H 33 4.707 5.210 -0.503 1 1 354 . 4 1 1 A 33 33 THR CB C 33 72.003 72.219 -0.216 1 1 360 . 4 1 1 A 33 33 THR C C 33 173.146 172.858 0.288 1 1 361 . 4 1 1 A 34 34 GLY N N 34 106.583 108.255 -1.672 1 1 362 . 4 1 1 A 34 34 GLY H H 34 8.603 8.465 0.138 1 1 363 . 4 1 1 A 34 34 GLY CA C 34 45.032 45.067 -0.035 1 1 364 . 4 1 1 A 34 34 GLY HA3 H 34 3.424 4.478 -1.054 1 1 365 . 4 1 1 A 34 34 GLY C C 34 172.260 172.201 0.059 1 1 366 . 4 1 1 A 34 34 GLY HA2 H 34 5.351 4.465 0.886 1 1 367 . 4 1 1 A 35 35 GLU N N 35 118.818 121.017 -2.199 1 1 368 . 4 1 1 A 35 35 GLU H H 35 8.756 8.948 -0.192 1 1 369 . 4 1 1 A 35 35 GLU CA C 35 56.375 55.145 1.230 1 1 370 . 4 1 1 A 35 35 GLU HA H 35 4.739 5.039 -0.300 1 1 371 . 4 1 1 A 35 35 GLU CB C 35 34.673 33.894 0.779 1 1 375 . 4 1 1 A 35 35 GLU C C 35 173.645 174.536 -0.891 1 1 378 . 4 1 1 A 36 36 VAL N N 36 124.835 124.331 0.504 1 1 379 . 4 1 1 A 36 36 VAL H H 36 9.291 8.767 0.524 1 1 380 . 4 1 1 A 36 36 VAL CA C 36 60.780 61.167 -0.387 1 1 381 . 4 1 1 A 36 36 VAL HA H 36 4.751 4.941 -0.190 1 1 382 . 4 1 1 A 36 36 VAL CB C 36 33.990 34.818 -0.828 1 1 392 . 4 1 1 A 36 36 VAL C C 36 174.137 174.729 -0.592 1 1 393 . 4 1 1 A 37 37 HIS N N 37 126.324 125.860 0.464 1 1 394 . 4 1 1 A 37 37 HIS H H 37 9.294 9.317 -0.023 1 1 395 . 4 1 1 A 37 37 HIS CA C 37 54.625 54.534 0.091 1 1 396 . 4 1 1 A 37 37 HIS HA H 37 4.751 4.951 -0.200 1 1 397 . 4 1 1 A 37 37 HIS CB C 37 30.676 29.981 0.695 1 1 403 . 4 1 1 A 37 37 HIS C C 37 174.317 174.630 -0.313 1 1 405 . 4 1 1 A 38 38 MET N N 38 122.552 124.451 -1.899 1 1 406 . 4 1 1 A 38 38 MET H H 38 8.303 8.441 -0.138 1 1 407 . 4 1 1 A 38 38 MET CA C 38 54.086 55.182 -1.096 1 1 408 . 4 1 1 A 38 38 MET HA H 38 4.089 4.336 -0.247 1 1 409 . 4 1 1 A 38 38 MET CB C 38 32.900 32.196 0.704 1 1 417 . 4 1 1 A 38 38 MET C C 38 174.851 175.990 -1.139 1 1 420 . 4 1 1 A 39 39 PRO CA C 39 65.874 64.138 1.736 1 1 421 . 4 1 1 A 39 39 PRO HA H 39 4.156 4.364 -0.208 1 1 422 . 4 1 1 A 39 39 PRO CB C 39 31.312 31.840 -0.528 1 1 428 . 4 1 1 A 39 39 PRO C C 39 178.047 177.776 0.271 1 1 432 . 4 1 1 A 40 40 SER N N 40 111.214 111.833 -0.619 1 1 433 . 4 1 1 A 40 40 SER H H 40 8.759 7.739 1.020 1 1 434 . 4 1 1 A 40 40 SER CA C 40 59.667 58.532 1.135 1 1 435 . 4 1 1 A 40 40 SER HA H 40 4.089 4.463 -0.374 1 1 436 . 4 1 1 A 40 40 SER CB C 40 62.726 63.598 -0.872 1 1 438 . 4 1 1 A 40 40 SER C C 40 176.300 174.498 1.802 1 1 440 . 4 1 1 A 41 41 GLY N N 41 111.180 109.090 2.090 1 1 441 . 4 1 1 A 41 41 GLY H H 41 8.293 7.730 0.563 1 1 442 . 4 1 1 A 41 41 GLY CA C 41 44.624 45.182 -0.558 1 1 443 . 4 1 1 A 41 41 GLY HA3 H 41 3.620 4.018 -0.398 1 1 444 . 4 1 1 A 41 41 GLY C C 41 174.516 173.896 0.620 1 1 445 . 4 1 1 A 41 41 GLY HA2 H 41 4.447 4.018 0.429 1 1 446 . 4 1 1 A 42 42 LYS N N 42 120.452 119.560 0.892 1 1 447 . 4 1 1 A 42 42 LYS H H 42 7.038 7.852 -0.814 1 1 448 . 4 1 1 A 42 42 LYS CA C 42 56.944 54.542 2.402 1 1 449 . 4 1 1 A 42 42 LYS HA H 42 4.286 4.732 -0.446 1 1 450 . 4 1 1 A 42 42 LYS CB C 42 33.719 34.902 -1.183 1 1 457 . 4 1 1 A 42 42 LYS C C 42 175.050 175.061 -0.011 1 1 462 . 4 1 1 A 43 43 THR N N 43 111.705 111.434 0.271 1 1 463 . 4 1 1 A 43 43 THR H H 43 8.110 8.698 -0.588 1 1 464 . 4 1 1 A 43 43 THR CA C 43 59.653 60.363 -0.710 1 1 465 . 4 1 1 A 43 43 THR HA H 43 5.450 5.365 0.085 1 1 466 . 4 1 1 A 43 43 THR CB C 43 71.842 72.603 -0.761 1 1 472 . 4 1 1 A 43 43 THR C C 43 174.054 173.225 0.829 1 1 473 . 4 1 1 A 44 44 ALA N N 44 123.338 122.270 1.068 1 1 474 . 4 1 1 A 44 44 ALA H H 44 8.683 8.217 0.466 1 1 475 . 4 1 1 A 44 44 ALA CA C 44 50.752 51.736 -0.984 1 1 476 . 4 1 1 A 44 44 ALA HA H 44 4.798 4.857 -0.059 1 1 477 . 4 1 1 A 44 44 ALA CB C 44 24.091 22.970 1.121 1 1 481 . 4 1 1 A 44 44 ALA C C 44 175.947 175.882 0.065 1 1 482 . 4 1 1 A 45 45 THR N N 45 117.733 111.932 5.801 1 1 483 . 4 1 1 A 45 45 THR H H 45 8.934 8.517 0.417 1 1 484 . 4 1 1 A 45 45 THR CA C 45 59.517 59.256 0.261 1 1 485 . 4 1 1 A 45 45 THR HA H 45 4.894 4.845 0.049 1 1 486 . 4 1 1 A 45 45 THR CB C 45 70.403 69.547 0.856 1 1 492 . 4 1 1 A 45 45 THR C C 45 173.394 173.318 0.076 1 1 493 . 4 1 1 A 46 46 PRO CA C 46 62.017 62.301 -0.284 1 1 494 . 4 1 1 A 46 46 PRO HA H 46 4.978 4.645 0.333 1 1 495 . 4 1 1 A 46 46 PRO CB C 46 32.885 32.527 0.358 1 1 501 . 4 1 1 A 46 46 PRO C C 46 173.937 175.883 -1.946 1 1 505 . 4 1 1 A 47 47 GLU N N 47 120.450 120.487 -0.037 1 1 506 . 4 1 1 A 47 47 GLU H H 47 8.894 8.978 -0.084 1 1 507 . 4 1 1 A 47 47 GLU CA C 47 56.040 55.345 0.695 1 1 508 . 4 1 1 A 47 47 GLU HA H 47 4.409 4.569 -0.160 1 1 509 . 4 1 1 A 47 47 GLU CB C 47 31.436 30.702 0.734 1 1 513 . 4 1 1 A 47 47 GLU C C 47 175.160 175.216 -0.056 1 1 516 . 4 1 1 A 48 48 ILE N N 48 124.818 128.240 -3.422 1 1 517 . 4 1 1 A 48 48 ILE H H 48 8.467 8.744 -0.277 1 1 518 . 4 1 1 A 48 48 ILE CA C 48 60.408 59.907 0.501 1 1 519 . 4 1 1 A 48 48 ILE HA H 48 4.727 4.580 0.147 1 1 520 . 4 1 1 A 48 48 ILE CB C 48 38.177 37.237 0.940 1 1 532 . 4 1 1 A 48 48 ILE C C 48 175.681 174.525 1.156 1 1 534 . 4 1 1 A 49 49 VAL N N 49 129.411 127.449 1.962 1 1 535 . 4 1 1 A 49 49 VAL H H 49 9.417 8.922 0.495 1 1 536 . 4 1 1 A 49 49 VAL CA C 49 61.259 60.700 0.559 1 1 537 . 4 1 1 A 49 49 VAL HA H 49 4.188 4.587 -0.399 1 1 538 . 4 1 1 A 49 49 VAL CB C 49 34.719 35.119 -0.400 1 1 548 . 4 1 1 A 49 49 VAL C C 49 174.654 173.447 1.207 1 1 549 . 4 1 1 A 50 50 ASP N N 50 125.078 127.614 -2.536 1 1 550 . 4 1 1 A 50 50 ASP H H 50 8.664 8.786 -0.122 1 1 551 . 4 1 1 A 50 50 ASP CA C 50 53.899 52.584 1.315 1 1 552 . 4 1 1 A 50 50 ASP HA H 50 4.683 5.339 -0.656 1 1 553 . 4 1 1 A 50 50 ASP CB C 50 41.270 42.919 -1.649 1 1 555 . 4 1 1 A 50 50 ASP C C 50 176.440 176.035 0.405 1 1 557 . 4 1 1 A 51 51 ASN N N 51 123.926 124.705 -0.779 1 1 558 . 4 1 1 A 51 51 ASN H H 51 8.212 8.927 -0.715 1 1 559 . 4 1 1 A 51 51 ASN CA C 51 53.917 53.394 0.523 1 1 560 . 4 1 1 A 51 51 ASN HA H 51 4.703 4.737 -0.034 1 1 561 . 4 1 1 A 51 51 ASN CB C 51 38.667 39.640 -0.973 1 1 566 . 4 1 1 A 51 51 ASN C C 51 176.260 176.253 0.007 1 1 568 . 4 1 1 A 52 52 LYS N N 52 115.640 123.326 -7.686 1 1 569 . 4 1 1 A 52 52 LYS H H 52 9.145 8.641 0.504 1 1 570 . 4 1 1 A 52 52 LYS CA C 52 58.127 57.489 0.638 1 1 571 . 4 1 1 A 52 52 LYS HA H 52 4.040 4.279 -0.239 1 1 572 . 4 1 1 A 52 52 LYS CB C 52 29.405 32.604 -3.199 1 1 580 . 4 1 1 A 52 52 LYS C C 52 175.471 177.286 -1.815 1 1 585 . 4 1 1 A 53 53 ASP N N 53 117.607 119.443 -1.836 1 1 586 . 4 1 1 A 53 53 ASP H H 53 7.824 7.770 0.054 1 1 587 . 4 1 1 A 53 53 ASP CA C 53 52.598 54.895 -2.297 1 1 588 . 4 1 1 A 53 53 ASP HA H 53 4.690 4.709 -0.019 1 1 589 . 4 1 1 A 53 53 ASP CB C 53 40.929 42.551 -1.622 1 1 591 . 4 1 1 A 53 53 ASP C C 53 177.173 176.256 0.917 1 1 593 . 4 1 1 A 54 54 GLY N N 54 108.692 107.163 1.529 1 1 594 . 4 1 1 A 54 54 GLY H H 54 8.548 7.928 0.620 1 1 595 . 4 1 1 A 54 54 GLY CA C 54 45.161 44.994 0.167 1 1 596 . 4 1 1 A 54 54 GLY HA3 H 54 3.653 4.032 -0.379 1 1 597 . 4 1 1 A 54 54 GLY C C 54 173.737 173.654 0.083 1 1 598 . 4 1 1 A 54 54 GLY HA2 H 54 4.372 4.027 0.345 1 1 599 . 4 1 1 A 55 55 THR N N 55 110.165 110.124 0.041 1 1 600 . 4 1 1 A 55 55 THR H H 55 7.929 7.545 0.384 1 1 601 . 4 1 1 A 55 55 THR CA C 55 60.412 59.432 0.980 1 1 602 . 4 1 1 A 55 55 THR HA H 55 5.100 4.897 0.203 1 1 603 . 4 1 1 A 55 55 THR CB C 55 73.027 72.778 0.249 1 1 609 . 4 1 1 A 55 55 THR C C 55 174.206 173.241 0.965 1 1 610 . 4 1 1 A 56 56 VAL N N 56 115.822 120.186 -4.364 1 1 611 . 4 1 1 A 56 56 VAL H H 56 8.581 8.388 0.193 1 1 612 . 4 1 1 A 56 56 VAL CA C 56 59.608 59.850 -0.242 1 1 613 . 4 1 1 A 56 56 VAL HA H 56 5.132 5.248 -0.116 1 1 614 . 4 1 1 A 56 56 VAL CB C 56 35.607 35.274 0.333 1 1 624 . 4 1 1 A 56 56 VAL C C 56 174.437 174.778 -0.341 1 1 625 . 4 1 1 A 57 57 THR N N 57 120.574 121.949 -1.375 1 1 626 . 4 1 1 A 57 57 THR H H 57 9.151 8.821 0.330 1 1 627 . 4 1 1 A 57 57 THR CA C 57 61.543 61.675 -0.132 1 1 628 . 4 1 1 A 57 57 THR HA H 57 5.021 5.132 -0.111 1 1 629 . 4 1 1 A 57 57 THR CB C 57 71.080 71.016 0.064 1 1 635 . 4 1 1 A 57 57 THR C C 57 173.190 173.354 -0.164 1 1 636 . 4 1 1 A 58 58 VAL N N 58 127.832 127.820 0.012 1 1 637 . 4 1 1 A 58 58 VAL H H 58 9.296 9.015 0.281 1 1 638 . 4 1 1 A 58 58 VAL CA C 58 61.204 62.507 -1.303 1 1 639 . 4 1 1 A 58 58 VAL HA H 58 4.774 4.312 0.462 1 1 640 . 4 1 1 A 58 58 VAL CB C 58 32.626 30.724 1.902 1 1 650 . 4 1 1 A 58 58 VAL C C 58 173.991 174.407 -0.416 1 1 651 . 4 1 1 A 59 59 ARG N N 59 126.761 128.984 -2.223 1 1 652 . 4 1 1 A 59 59 ARG H H 59 9.190 8.719 0.471 1 1 653 . 4 1 1 A 59 59 ARG CA C 59 54.384 54.459 -0.075 1 1 654 . 4 1 1 A 59 59 ARG HA H 59 5.488 5.007 0.481 1 1 655 . 4 1 1 A 59 59 ARG CB C 59 34.262 32.423 1.839 1 1 661 . 4 1 1 A 59 59 ARG C C 59 174.849 174.193 0.656 1 1 665 . 4 1 1 A 60 60 TYR N N 60 123.838 127.250 -3.412 1 1 666 . 4 1 1 A 60 60 TYR H H 60 9.164 8.754 0.410 1 1 667 . 4 1 1 A 60 60 TYR CA C 60 56.684 57.359 -0.675 1 1 668 . 4 1 1 A 60 60 TYR HA H 60 5.024 4.986 0.038 1 1 669 . 4 1 1 A 60 60 TYR CB C 60 42.761 41.358 1.403 1 1 675 . 4 1 1 A 60 60 TYR C C 60 171.861 173.742 -1.881 1 1 677 . 4 1 1 A 61 61 ALA N N 61 134.382 131.018 3.364 1 1 678 . 4 1 1 A 61 61 ALA H H 61 8.023 8.630 -0.607 1 1 679 . 4 1 1 A 61 61 ALA CA C 61 47.869 49.554 -1.685 1 1 680 . 4 1 1 A 61 61 ALA HA H 61 4.670 4.484 0.186 1 1 681 . 4 1 1 A 61 61 ALA CB C 61 18.685 19.599 -0.914 1 1 685 . 4 1 1 A 61 61 ALA C C 61 172.714 175.637 -2.923 1 1 686 . 4 1 1 A 62 62 PRO CA C 62 62.455 62.480 -0.025 1 1 687 . 4 1 1 A 62 62 PRO HA H 62 4.137 4.235 -0.098 1 1 688 . 4 1 1 A 62 62 PRO CB C 62 33.972 31.683 2.289 1 1 694 . 4 1 1 A 62 62 PRO C C 62 175.567 176.750 -1.183 1 1 698 . 4 1 1 A 63 63 THR N N 63 106.145 116.538 -10.393 1 1 699 . 4 1 1 A 63 63 THR H H 63 8.819 8.455 0.364 1 1 700 . 4 1 1 A 63 63 THR CA C 63 60.795 63.309 -2.514 1 1 701 . 4 1 1 A 63 63 THR HA H 63 4.278 4.387 -0.109 1 1 702 . 4 1 1 A 63 63 THR CB C 63 70.379 70.601 -0.222 1 1 708 . 4 1 1 A 63 63 THR C C 63 173.771 173.832 -0.061 1 1 709 . 4 1 1 A 64 64 GLU N N 64 119.851 119.069 0.782 1 1 710 . 4 1 1 A 64 64 GLU H H 64 7.217 7.565 -0.348 1 1 711 . 4 1 1 A 64 64 GLU CA C 64 54.483 54.475 0.008 1 1 712 . 4 1 1 A 64 64 GLU HA H 64 4.560 4.532 0.028 1 1 713 . 4 1 1 A 64 64 GLU CB C 64 33.675 33.130 0.545 1 1 717 . 4 1 1 A 64 64 GLU C C 64 173.177 175.066 -1.889 1 1 720 . 4 1 1 A 65 65 VAL N N 65 114.914 118.936 -4.022 1 1 721 . 4 1 1 A 65 65 VAL H H 65 7.740 8.286 -0.546 1 1 722 . 4 1 1 A 65 65 VAL CA C 65 61.412 60.692 0.720 1 1 723 . 4 1 1 A 65 65 VAL HA H 65 3.730 4.376 -0.646 1 1 724 . 4 1 1 A 65 65 VAL CB C 65 33.477 33.493 -0.016 1 1 734 . 4 1 1 A 65 65 VAL C C 65 176.588 174.875 1.713 1 1 735 . 4 1 1 A 66 66 GLY N N 66 108.948 108.632 0.316 1 1 736 . 4 1 1 A 66 66 GLY H H 66 8.821 7.959 0.862 1 1 737 . 4 1 1 A 66 66 GLY CA C 66 43.304 44.004 -0.700 1 1 738 . 4 1 1 A 66 66 GLY HA3 H 66 4.468 4.065 0.403 1 1 739 . 4 1 1 A 66 66 GLY C C 66 175.811 171.723 4.088 1 1 740 . 4 1 1 A 66 66 GLY HA2 H 66 3.184 4.011 -0.827 1 1 741 . 4 1 1 A 67 67 LEU N N 67 126.594 122.036 4.558 1 1 742 . 4 1 1 A 67 67 LEU H H 67 9.023 8.422 0.601 1 1 743 . 4 1 1 A 67 67 LEU CA C 67 56.432 53.564 2.868 1 1 744 . 4 1 1 A 67 67 LEU HA H 67 4.137 5.043 -0.906 1 1 745 . 4 1 1 A 67 67 LEU CB C 67 41.933 43.884 -1.951 1 1 757 . 4 1 1 A 67 67 LEU C C 67 174.817 174.680 0.137 1 1 759 . 4 1 1 A 68 68 HIS N N 68 127.130 126.293 0.837 1 1 760 . 4 1 1 A 68 68 HIS H H 68 9.165 8.501 0.664 1 1 761 . 4 1 1 A 68 68 HIS CA C 68 54.518 54.696 -0.178 1 1 762 . 4 1 1 A 68 68 HIS HA H 68 4.562 5.009 -0.447 1 1 763 . 4 1 1 A 68 68 HIS CB C 68 32.159 31.706 0.453 1 1 769 . 4 1 1 A 68 68 HIS C C 68 173.717 173.580 0.137 1 1 771 . 4 1 1 A 69 69 GLU N N 69 116.428 123.868 -7.440 1 1 772 . 4 1 1 A 69 69 GLU H H 69 8.096 8.723 -0.627 1 1 773 . 4 1 1 A 69 69 GLU CA C 69 54.625 54.859 -0.234 1 1 774 . 4 1 1 A 69 69 GLU HA H 69 5.274 5.138 0.136 1 1 775 . 4 1 1 A 69 69 GLU CB C 69 34.361 32.870 1.491 1 1 779 . 4 1 1 A 69 69 GLU C C 69 174.811 174.765 0.046 1 1 782 . 4 1 1 A 70 70 MET N N 70 126.104 127.832 -1.728 1 1 783 . 4 1 1 A 70 70 MET H H 70 9.874 9.238 0.636 1 1 784 . 4 1 1 A 70 70 MET CA C 70 54.399 54.184 0.215 1 1 785 . 4 1 1 A 70 70 MET HA H 70 5.272 5.277 -0.005 1 1 786 . 4 1 1 A 70 70 MET CB C 70 36.158 35.219 0.939 1 1 794 . 4 1 1 A 70 70 MET C C 70 173.699 175.416 -1.717 1 1 797 . 4 1 1 A 71 71 HIS N N 71 129.007 122.612 6.395 1 1 798 . 4 1 1 A 71 71 HIS H H 71 9.533 9.507 0.026 1 1 799 . 4 1 1 A 71 71 HIS CA C 71 54.201 54.729 -0.528 1 1 800 . 4 1 1 A 71 71 HIS HA H 71 5.273 5.221 0.052 1 1 801 . 4 1 1 A 71 71 HIS CB C 71 33.546 32.158 1.388 1 1 807 . 4 1 1 A 71 71 HIS C C 71 174.997 174.397 0.600 1 1 809 . 4 1 1 A 72 72 ILE N N 72 126.123 123.562 2.561 1 1 810 . 4 1 1 A 72 72 ILE H H 72 9.842 9.091 0.751 1 1 811 . 4 1 1 A 72 72 ILE CA C 72 60.037 59.832 0.205 1 1 812 . 4 1 1 A 72 72 ILE HA H 72 4.885 5.053 -0.168 1 1 813 . 4 1 1 A 72 72 ILE CB C 72 40.102 40.756 -0.654 1 1 825 . 4 1 1 A 72 72 ILE C C 72 173.955 175.183 -1.228 1 1 827 . 4 1 1 A 73 73 LYS N N 73 124.414 125.493 -1.079 1 1 828 . 4 1 1 A 73 73 LYS H H 73 8.854 8.767 0.087 1 1 829 . 4 1 1 A 73 73 LYS CA C 73 54.200 54.957 -0.757 1 1 830 . 4 1 1 A 73 73 LYS HA H 73 4.964 4.999 -0.035 1 1 831 . 4 1 1 A 73 73 LYS CB C 73 36.335 35.863 0.472 1 1 839 . 4 1 1 A 73 73 LYS C C 73 174.360 174.051 0.309 1 1 844 . 4 1 1 A 74 74 TYR N N 74 121.190 125.723 -4.533 1 1 845 . 4 1 1 A 74 74 TYR H H 74 8.979 9.103 -0.124 1 1 846 . 4 1 1 A 74 74 TYR CA C 74 55.271 57.594 -2.323 1 1 847 . 4 1 1 A 74 74 TYR HA H 74 5.365 4.874 0.491 1 1 848 . 4 1 1 A 74 74 TYR CB C 74 41.143 40.774 0.369 1 1 858 . 4 1 1 A 74 74 TYR C C 74 175.646 175.196 0.450 1 1 860 . 4 1 1 A 75 75 MET N N 75 125.219 126.890 -1.671 1 1 861 . 4 1 1 A 75 75 MET H H 75 9.096 9.550 -0.454 1 1 862 . 4 1 1 A 75 75 MET CA C 75 56.166 56.612 -0.446 1 1 863 . 4 1 1 A 75 75 MET HA H 75 3.920 4.091 -0.171 1 1 864 . 4 1 1 A 75 75 MET CB C 75 29.423 31.100 -1.677 1 1 872 . 4 1 1 A 75 75 MET C C 75 176.809 176.251 0.558 1 1 875 . 4 1 1 A 76 76 GLY N N 76 102.874 104.555 -1.681 1 1 876 . 4 1 1 A 76 76 GLY H H 76 8.573 8.632 -0.059 1 1 877 . 4 1 1 A 76 76 GLY CA C 76 45.421 46.071 -0.650 1 1 878 . 4 1 1 A 76 76 GLY HA3 H 76 4.221 3.861 0.360 1 1 879 . 4 1 1 A 76 76 GLY C C 76 174.014 173.897 0.117 1 1 880 . 4 1 1 A 76 76 GLY HA2 H 76 3.471 3.849 -0.378 1 1 881 . 4 1 1 A 77 77 SER N N 77 115.868 115.260 0.608 1 1 882 . 4 1 1 A 77 77 SER H H 77 7.609 7.544 0.065 1 1 883 . 4 1 1 A 77 77 SER CA C 77 56.956 57.632 -0.676 1 1 884 . 4 1 1 A 77 77 SER HA H 77 4.935 4.803 0.132 1 1 885 . 4 1 1 A 77 77 SER CB C 77 65.336 65.651 -0.315 1 1 887 . 4 1 1 A 77 77 SER C C 77 173.677 173.234 0.443 1 1 889 . 4 1 1 A 78 78 HIS N N 78 124.606 124.456 0.150 1 1 890 . 4 1 1 A 78 78 HIS H H 78 8.751 8.896 -0.145 1 1 891 . 4 1 1 A 78 78 HIS CA C 78 59.005 57.234 1.771 1 1 892 . 4 1 1 A 78 78 HIS HA H 78 4.617 4.645 -0.028 1 1 893 . 4 1 1 A 78 78 HIS CB C 78 32.066 30.870 1.196 1 1 899 . 4 1 1 A 78 78 HIS C C 78 178.429 175.606 2.823 1 1 901 . 4 1 1 A 79 79 ILE N N 79 117.547 119.357 -1.810 1 1 902 . 4 1 1 A 79 79 ILE H H 79 8.102 8.125 -0.023 1 1 903 . 4 1 1 A 79 79 ILE CA C 79 61.442 58.896 2.546 1 1 904 . 4 1 1 A 79 79 ILE HA H 79 4.737 4.577 0.160 1 1 905 . 4 1 1 A 79 79 ILE CB C 79 35.644 38.355 -2.711 1 1 917 . 4 1 1 A 79 79 ILE C C 79 174.657 176.105 -1.448 1 1 919 . 4 1 1 A 80 80 PRO CA C 80 66.398 64.319 2.079 1 1 920 . 4 1 1 A 80 80 PRO HA H 80 4.296 4.556 -0.260 1 1 921 . 4 1 1 A 80 80 PRO CB C 80 31.380 31.608 -0.228 1 1 927 . 4 1 1 A 80 80 PRO C C 80 177.763 177.059 0.704 1 1 931 . 4 1 1 A 81 81 GLU N N 81 114.279 117.388 -3.109 1 1 932 . 4 1 1 A 81 81 GLU H H 81 8.913 8.396 0.517 1 1 933 . 4 1 1 A 81 81 GLU CA C 81 58.285 56.661 1.624 1 1 934 . 4 1 1 A 81 81 GLU HA H 81 4.043 4.599 -0.556 1 1 935 . 4 1 1 A 81 81 GLU CB C 81 29.010 31.356 -2.346 1 1 939 . 4 1 1 A 81 81 GLU C C 81 174.743 175.905 -1.162 1 1 942 . 4 1 1 A 82 82 SER N N 82 112.700 116.185 -3.485 1 1 943 . 4 1 1 A 82 82 SER H H 82 7.918 7.727 0.191 1 1 944 . 4 1 1 A 82 82 SER CA C 82 54.519 55.850 -1.331 1 1 945 . 4 1 1 A 82 82 SER HA H 82 4.798 4.903 -0.105 1 1 946 . 4 1 1 A 82 82 SER CB C 82 64.077 65.797 -1.720 1 1 948 . 4 1 1 A 82 82 SER C C 82 173.394 171.732 1.662 1 1 950 . 4 1 1 A 83 83 PRO CA C 83 62.597 62.355 0.242 1 1 951 . 4 1 1 A 83 83 PRO HA H 83 5.247 4.725 0.522 1 1 952 . 4 1 1 A 83 83 PRO CB C 83 34.681 32.727 1.954 1 1 958 . 4 1 1 A 83 83 PRO C C 83 175.783 176.041 -0.258 1 1 962 . 4 1 1 A 84 84 LEU N N 84 123.427 117.011 6.416 1 1 963 . 4 1 1 A 84 84 LEU H H 84 9.099 8.160 0.939 1 1 964 . 4 1 1 A 84 84 LEU CA C 84 54.413 52.555 1.858 1 1 965 . 4 1 1 A 84 84 LEU HA H 84 4.893 5.365 -0.472 1 1 966 . 4 1 1 A 84 84 LEU CB C 84 44.452 46.419 -1.967 1 1 978 . 4 1 1 A 84 84 LEU C C 84 176.054 175.855 0.199 1 1 980 . 4 1 1 A 85 85 GLN N N 85 122.438 118.468 3.970 1 1 981 . 4 1 1 A 85 85 GLN H H 85 8.869 8.648 0.221 1 1 982 . 4 1 1 A 85 85 GLN CA C 85 54.811 54.260 0.551 1 1 983 . 4 1 1 A 85 85 GLN HA H 85 5.359 5.343 0.016 1 1 984 . 4 1 1 A 85 85 GLN CB C 85 30.972 33.008 -2.036 1 1 991 . 4 1 1 A 85 85 GLN C C 85 175.687 174.895 0.792 1 1 994 . 4 1 1 A 86 86 PHE N N 86 118.108 119.158 -1.050 1 1 995 . 4 1 1 A 86 86 PHE H H 86 8.483 8.173 0.310 1 1 996 . 4 1 1 A 86 86 PHE CA C 86 56.104 55.587 0.517 1 1 997 . 4 1 1 A 86 86 PHE HA H 86 4.917 5.472 -0.555 1 1 998 . 4 1 1 A 86 86 PHE CB C 86 40.732 42.066 -1.334 1 1 1010 . 4 1 1 A 86 86 PHE C C 86 171.607 172.637 -1.030 1 1 1012 . 4 1 1 A 87 87 TYR N N 87 124.521 125.462 -0.941 1 1 1013 . 4 1 1 A 87 87 TYR H H 87 9.179 9.190 -0.011 1 1 1014 . 4 1 1 A 87 87 TYR CA C 87 57.832 58.109 -0.277 1 1 1015 . 4 1 1 A 87 87 TYR HA H 87 4.643 5.032 -0.389 1 1 1016 . 4 1 1 A 87 87 TYR CB C 87 40.731 39.636 1.095 1 1 1026 . 4 1 1 A 87 87 TYR C C 87 175.145 174.434 0.711 1 1 1028 . 4 1 1 A 88 88 VAL N N 88 129.828 127.087 2.741 1 1 1029 . 4 1 1 A 88 88 VAL H H 88 7.865 8.500 -0.635 1 1 1030 . 4 1 1 A 88 88 VAL CA C 88 61.875 61.910 -0.035 1 1 1031 . 4 1 1 A 88 88 VAL HA H 88 4.219 4.578 -0.359 1 1 1032 . 4 1 1 A 88 88 VAL CB C 88 32.943 31.653 1.290 1 1 1042 . 4 1 1 A 88 88 VAL C C 88 174.472 175.446 -0.974 1 1 1043 . 4 1 1 A 89 89 ASN N N 89 124.798 126.288 -1.490 1 1 1044 . 4 1 1 A 89 89 ASN H H 89 8.649 8.692 -0.043 1 1 1045 . 4 1 1 A 89 89 ASN CA C 89 52.062 52.991 -0.929 1 1 1046 . 4 1 1 A 89 89 ASN HA H 89 5.024 4.926 0.098 1 1 1047 . 4 1 1 A 89 89 ASN CB C 89 41.470 39.668 1.802 1 1 1052 . 4 1 1 A 89 89 ASN C C 89 175.232 174.928 0.304 1 1 1054 . 4 1 1 A 90 90 TYR N N 90 119.662 122.936 -3.274 1 1 1055 . 4 1 1 A 90 90 TYR H H 90 8.559 8.807 -0.248 1 1 1056 . 4 1 1 A 90 90 TYR CA C 90 58.020 57.095 0.925 1 1 1057 . 4 1 1 A 90 90 TYR HA H 90 4.485 4.660 -0.175 1 1 1058 . 4 1 1 A 90 90 TYR CB C 90 37.880 39.553 -1.673 1 1 1068 . 4 1 1 A 90 90 TYR C C 90 174.972 176.182 -1.210 1 1 1070 . 4 1 1 A 91 91 PRO CA C 91 63.396 63.616 -0.220 1 1 1071 . 4 1 1 A 91 91 PRO HA H 91 4.337 4.367 -0.030 1 1 1072 . 4 1 1 A 91 91 PRO CB C 91 32.028 31.241 0.787 1 1 1081 . 4 1 1 A 92 92 ASN N N 92 118.175 118.329 -0.154 1 1 1082 . 4 1 1 A 92 92 ASN H H 92 8.429 7.908 0.521 1 1 1083 . 4 1 1 A 92 92 ASN CA C 92 53.343 52.698 0.645 1 1 1084 . 4 1 1 A 92 92 ASN HA H 92 4.691 5.005 -0.314 1 1 1085 . 4 1 1 A 92 92 ASN CB C 92 39.000 39.863 -0.863 1 1 1091 . 4 1 1 A 93 93 SER N N 93 115.984 120.332 -4.348 1 1 1092 . 4 1 1 A 93 93 SER H H 93 8.344 8.769 -0.425 1 1 1093 . 4 1 1 A 93 93 SER CA C 93 58.618 56.714 1.904 1 1 1094 . 4 1 1 A 93 93 SER HA H 93 4.474 4.922 -0.448 1 1 1095 . 4 1 1 A 93 93 SER CB C 93 63.894 65.157 -1.263 1 1 1098 . 4 1 1 A 94 94 GLY N N 94 111.442 112.217 -0.775 1 1 1099 . 4 1 1 A 94 94 GLY H H 94 8.499 8.312 0.187 1 1 1100 . 4 1 1 A 94 94 GLY CA C 94 45.417 44.294 1.123 1 1 1101 . 4 1 1 A 94 94 GLY HA3 H 94 4.016 4.152 -0.136 1 1 1102 . 4 1 1 A 94 94 GLY C C 94 173.391 173.272 0.119 1 1 1103 . 4 1 1 A 94 94 GLY HA2 H 94 4.016 4.152 -0.136 1 1 1 . 5 1 1 A 2 2 SER CA C 2 58.268 58.695 -0.427 1 1 2 . 5 1 1 A 2 2 SER CB C 2 63.729 64.237 -0.508 1 1 3 . 5 1 1 A 2 2 SER C C 2 174.818 174.287 0.531 1 1 4 . 5 1 1 A 3 3 SER CA C 3 58.693 56.599 2.094 1 1 5 . 5 1 1 A 3 3 SER CB C 3 63.906 65.840 -1.934 1 1 6 . 5 1 1 A 3 3 SER C C 3 174.981 173.358 1.623 1 1 7 . 5 1 1 A 5 5 SER C C 5 178.688 173.476 5.212 1 1 8 . 5 1 1 A 6 6 SER CA C 6 58.453 57.424 1.029 1 1 9 . 5 1 1 A 6 6 SER HA H 6 4.502 4.948 -0.446 1 1 10 . 5 1 1 A 6 6 SER CB C 6 63.956 65.563 -1.607 1 1 13 . 5 1 1 A 7 7 GLY N N 7 110.931 112.764 -1.833 1 1 14 . 5 1 1 A 7 7 GLY H H 7 8.436 8.510 -0.074 1 1 15 . 5 1 1 A 7 7 GLY CA C 7 45.357 44.913 0.444 1 1 16 . 5 1 1 A 7 7 GLY HA3 H 7 3.979 4.092 -0.113 1 1 17 . 5 1 1 A 7 7 GLY C C 7 174.128 172.899 1.229 1 1 18 . 5 1 1 A 7 7 GLY HA2 H 7 3.979 4.092 -0.113 1 1 19 . 5 1 1 A 8 8 VAL N N 8 119.070 124.263 -5.193 1 1 20 . 5 1 1 A 8 8 VAL H H 8 8.006 8.123 -0.117 1 1 21 . 5 1 1 A 8 8 VAL CA C 8 62.332 59.944 2.388 1 1 22 . 5 1 1 A 8 8 VAL HA H 8 4.180 4.778 -0.598 1 1 23 . 5 1 1 A 8 8 VAL CB C 8 32.819 35.423 -2.604 1 1 33 . 5 1 1 A 8 8 VAL C C 8 176.359 174.005 2.354 1 1 34 . 5 1 1 A 9 9 SER N N 9 119.223 124.864 -5.641 1 1 35 . 5 1 1 A 9 9 SER H H 9 8.418 8.675 -0.257 1 1 36 . 5 1 1 A 9 9 SER CA C 9 58.392 57.733 0.659 1 1 37 . 5 1 1 A 9 9 SER HA H 9 4.469 5.166 -0.697 1 1 38 . 5 1 1 A 9 9 SER CB C 9 63.948 63.986 -0.038 1 1 40 . 5 1 1 A 9 9 SER C C 9 174.256 172.841 1.415 1 1 42 . 5 1 1 A 10 10 ASP N N 10 122.453 123.735 -1.282 1 1 43 . 5 1 1 A 10 10 ASP H H 10 8.311 8.200 0.111 1 1 44 . 5 1 1 A 10 10 ASP CA C 10 54.450 53.014 1.436 1 1 45 . 5 1 1 A 10 10 ASP HA H 10 4.592 5.115 -0.523 1 1 46 . 5 1 1 A 10 10 ASP CB C 10 41.174 45.516 -4.342 1 1 48 . 5 1 1 A 10 10 ASP C C 10 176.480 174.142 2.338 1 1 50 . 5 1 1 A 11 11 MET N N 11 120.428 119.091 1.337 1 1 51 . 5 1 1 A 11 11 MET H H 11 8.340 9.136 -0.796 1 1 52 . 5 1 1 A 11 11 MET CA C 11 55.757 53.559 2.198 1 1 53 . 5 1 1 A 11 11 MET HA H 11 4.418 5.360 -0.942 1 1 54 . 5 1 1 A 11 11 MET CB C 11 32.457 34.017 -1.560 1 1 62 . 5 1 1 A 11 11 MET C C 11 176.391 174.878 1.513 1 1 65 . 5 1 1 A 12 12 ASN N N 12 118.914 120.877 -1.963 1 1 66 . 5 1 1 A 12 12 ASN H H 12 8.416 8.660 -0.244 1 1 67 . 5 1 1 A 12 12 ASN CA C 12 53.687 53.089 0.598 1 1 68 . 5 1 1 A 12 12 ASN HA H 12 4.660 5.168 -0.508 1 1 69 . 5 1 1 A 12 12 ASN CB C 12 38.924 40.217 -1.293 1 1 74 . 5 1 1 A 12 12 ASN C C 12 175.770 173.595 2.175 1 1 76 . 5 1 1 A 13 13 GLY N N 13 108.888 113.523 -4.635 1 1 77 . 5 1 1 A 13 13 GLY H H 13 8.317 8.895 -0.578 1 1 78 . 5 1 1 A 13 13 GLY CA C 13 45.658 45.015 0.643 1 1 79 . 5 1 1 A 13 13 GLY HA3 H 13 3.920 4.224 -0.304 1 1 80 . 5 1 1 A 13 13 GLY C C 13 174.275 174.556 -0.281 1 1 81 . 5 1 1 A 13 13 GLY HA2 H 13 3.920 4.220 -0.300 1 1 82 . 5 1 1 A 14 14 LEU N N 14 120.990 121.790 -0.800 1 1 83 . 5 1 1 A 14 14 LEU H H 14 8.015 8.668 -0.653 1 1 84 . 5 1 1 A 14 14 LEU CA C 14 55.074 54.989 0.085 1 1 85 . 5 1 1 A 14 14 LEU HA H 14 4.283 4.639 -0.356 1 1 86 . 5 1 1 A 14 14 LEU CB C 14 42.572 43.178 -0.606 1 1 98 . 5 1 1 A 14 14 LEU C C 14 177.365 177.357 0.008 1 1 100 . 5 1 1 A 15 15 GLY N N 15 107.853 106.218 1.635 1 1 101 . 5 1 1 A 15 15 GLY H H 15 8.198 7.504 0.694 1 1 102 . 5 1 1 A 15 15 GLY CA C 15 44.968 46.018 -1.050 1 1 103 . 5 1 1 A 15 15 GLY HA3 H 15 3.823 4.048 -0.225 1 1 104 . 5 1 1 A 15 15 GLY C C 15 173.829 172.558 1.271 1 1 105 . 5 1 1 A 15 15 GLY HA2 H 15 3.783 3.887 -0.104 1 1 106 . 5 1 1 A 16 16 PHE N N 16 118.501 117.494 1.007 1 1 107 . 5 1 1 A 16 16 PHE H H 16 7.868 8.391 -0.523 1 1 108 . 5 1 1 A 16 16 PHE CA C 16 57.837 56.478 1.359 1 1 109 . 5 1 1 A 16 16 PHE HA H 16 4.442 5.045 -0.603 1 1 110 . 5 1 1 A 16 16 PHE CB C 16 40.278 42.188 -1.910 1 1 122 . 5 1 1 A 16 16 PHE C C 16 176.569 174.755 1.814 1 1 124 . 5 1 1 A 17 17 LYS N N 17 126.087 123.892 2.195 1 1 125 . 5 1 1 A 17 17 LYS H H 17 8.611 8.497 0.114 1 1 126 . 5 1 1 A 17 17 LYS CA C 17 54.271 54.812 -0.541 1 1 127 . 5 1 1 A 17 17 LYS HA H 17 4.573 4.245 0.328 1 1 128 . 5 1 1 A 17 17 LYS CB C 17 32.818 33.054 -0.236 1 1 136 . 5 1 1 A 17 17 LYS C C 17 174.147 175.230 -1.083 1 1 141 . 5 1 1 A 18 18 PRO CA C 18 62.850 62.537 0.313 1 1 142 . 5 1 1 A 18 18 PRO HA H 18 4.647 4.700 -0.053 1 1 143 . 5 1 1 A 18 18 PRO CB C 18 31.990 32.586 -0.596 1 1 149 . 5 1 1 A 18 18 PRO C C 18 176.220 175.695 0.525 1 1 153 . 5 1 1 A 19 19 PHE N N 19 123.581 123.364 0.217 1 1 154 . 5 1 1 A 19 19 PHE H H 19 8.905 8.432 0.473 1 1 155 . 5 1 1 A 19 19 PHE CA C 19 57.402 56.076 1.326 1 1 156 . 5 1 1 A 19 19 PHE HA H 19 4.502 4.953 -0.451 1 1 157 . 5 1 1 A 19 19 PHE CB C 19 41.432 41.237 0.195 1 1 169 . 5 1 1 A 19 19 PHE C C 19 173.078 173.308 -0.230 1 1 171 . 5 1 1 A 20 20 ASP N N 20 126.229 125.346 0.883 1 1 172 . 5 1 1 A 20 20 ASP H H 20 7.412 8.882 -1.470 1 1 173 . 5 1 1 A 20 20 ASP CA C 20 52.686 52.655 0.031 1 1 174 . 5 1 1 A 20 20 ASP HA H 20 5.248 5.055 0.193 1 1 175 . 5 1 1 A 20 20 ASP CB C 20 44.081 42.221 1.860 1 1 177 . 5 1 1 A 20 20 ASP C C 20 174.098 174.451 -0.353 1 1 179 . 5 1 1 A 21 21 LEU N N 21 123.421 123.523 -0.102 1 1 180 . 5 1 1 A 21 21 LEU H H 21 8.641 8.225 0.416 1 1 181 . 5 1 1 A 21 21 LEU CA C 21 54.201 53.674 0.527 1 1 182 . 5 1 1 A 21 21 LEU HA H 21 4.367 4.980 -0.613 1 1 183 . 5 1 1 A 21 21 LEU CB C 21 46.118 46.182 -0.064 1 1 195 . 5 1 1 A 21 21 LEU C C 21 174.294 173.823 0.471 1 1 197 . 5 1 1 A 22 22 VAL N N 22 127.339 125.302 2.037 1 1 198 . 5 1 1 A 22 22 VAL H H 22 8.451 9.055 -0.604 1 1 199 . 5 1 1 A 22 22 VAL CA C 22 61.986 60.102 1.884 1 1 200 . 5 1 1 A 22 22 VAL HA H 22 4.572 4.774 -0.202 1 1 201 . 5 1 1 A 22 22 VAL CB C 22 32.276 34.288 -2.012 1 1 211 . 5 1 1 A 22 22 VAL C C 22 176.066 175.190 0.876 1 1 212 . 5 1 1 A 23 23 ILE N N 23 128.645 129.767 -1.122 1 1 213 . 5 1 1 A 23 23 ILE H H 23 8.998 8.113 0.885 1 1 214 . 5 1 1 A 23 23 ILE CA C 23 57.193 60.510 -3.317 1 1 215 . 5 1 1 A 23 23 ILE HA H 23 4.489 4.142 0.347 1 1 216 . 5 1 1 A 23 23 ILE CB C 23 38.455 37.609 0.846 1 1 228 . 5 1 1 A 23 23 ILE C C 23 175.434 176.483 -1.049 1 1 230 . 5 1 1 A 24 24 PRO CA C 24 63.319 65.250 -1.931 1 1 231 . 5 1 1 A 24 24 PRO HA H 24 4.600 4.375 0.225 1 1 232 . 5 1 1 A 24 24 PRO CB C 24 30.324 31.998 -1.674 1 1 238 . 5 1 1 A 24 24 PRO C C 24 174.946 176.676 -1.730 1 1 242 . 5 1 1 A 25 25 PHE N N 25 121.530 113.932 7.598 1 1 243 . 5 1 1 A 25 25 PHE H H 25 7.582 7.922 -0.340 1 1 244 . 5 1 1 A 25 25 PHE CA C 25 56.635 56.041 0.594 1 1 245 . 5 1 1 A 25 25 PHE HA H 25 4.552 4.561 -0.009 1 1 246 . 5 1 1 A 25 25 PHE CB C 25 40.977 40.166 0.811 1 1 258 . 5 1 1 A 25 25 PHE C C 25 172.831 175.159 -2.328 1 1 260 . 5 1 1 A 26 26 ALA N N 26 124.526 122.688 1.838 1 1 261 . 5 1 1 A 26 26 ALA H H 26 7.993 8.391 -0.398 1 1 262 . 5 1 1 A 26 26 ALA CA C 26 52.074 51.267 0.807 1 1 263 . 5 1 1 A 26 26 ALA HA H 26 4.221 4.459 -0.238 1 1 264 . 5 1 1 A 26 26 ALA CB C 26 18.862 19.866 -1.004 1 1 268 . 5 1 1 A 26 26 ALA C C 26 176.973 176.495 0.478 1 1 269 . 5 1 1 A 27 27 VAL N N 27 118.422 119.325 -0.903 1 1 270 . 5 1 1 A 27 27 VAL H H 27 8.046 8.279 -0.233 1 1 271 . 5 1 1 A 27 27 VAL CA C 27 61.375 59.717 1.658 1 1 272 . 5 1 1 A 27 27 VAL HA H 27 4.248 4.347 -0.099 1 1 273 . 5 1 1 A 27 27 VAL CB C 27 34.179 34.385 -0.206 1 1 283 . 5 1 1 A 27 27 VAL C C 27 175.445 173.392 2.053 1 1 284 . 5 1 1 A 28 28 ARG N N 28 122.785 122.561 0.224 1 1 285 . 5 1 1 A 28 28 ARG H H 28 8.275 8.442 -0.167 1 1 286 . 5 1 1 A 28 28 ARG CA C 28 55.407 54.714 0.693 1 1 287 . 5 1 1 A 28 28 ARG HA H 28 4.473 4.923 -0.450 1 1 288 . 5 1 1 A 28 28 ARG CB C 28 31.087 32.959 -1.872 1 1 294 . 5 1 1 A 28 28 ARG C C 28 176.528 176.204 0.324 1 1 298 . 5 1 1 A 29 29 LYS N N 29 121.704 118.603 3.101 1 1 299 . 5 1 1 A 29 29 LYS H H 29 8.484 8.758 -0.274 1 1 300 . 5 1 1 A 29 29 LYS CA C 29 57.888 56.446 1.442 1 1 301 . 5 1 1 A 29 29 LYS HA H 29 4.170 4.298 -0.128 1 1 302 . 5 1 1 A 29 29 LYS CB C 29 32.564 31.887 0.677 1 1 310 . 5 1 1 A 29 29 LYS C C 29 177.124 176.450 0.674 1 1 315 . 5 1 1 A 30 30 GLY N N 30 109.946 109.775 0.171 1 1 316 . 5 1 1 A 30 30 GLY H H 30 8.546 8.482 0.064 1 1 317 . 5 1 1 A 30 30 GLY CA C 30 45.408 46.373 -0.965 1 1 318 . 5 1 1 A 30 30 GLY HA3 H 30 4.060 3.968 0.092 1 1 319 . 5 1 1 A 30 30 GLY C C 30 173.961 175.217 -1.256 1 1 320 . 5 1 1 A 30 30 GLY HA2 H 30 3.981 3.953 0.028 1 1 321 . 5 1 1 A 31 31 GLU N N 31 118.290 121.090 -2.800 1 1 322 . 5 1 1 A 31 31 GLU H H 31 8.088 8.197 -0.109 1 1 323 . 5 1 1 A 31 31 GLU CA C 31 56.979 56.205 0.774 1 1 324 . 5 1 1 A 31 31 GLU HA H 31 4.418 4.423 -0.005 1 1 325 . 5 1 1 A 31 31 GLU CB C 31 31.108 30.020 1.088 1 1 329 . 5 1 1 A 31 31 GLU C C 31 176.184 175.116 1.068 1 1 332 . 5 1 1 A 32 32 ILE N N 32 121.780 121.867 -0.087 1 1 333 . 5 1 1 A 32 32 ILE H H 32 8.155 7.538 0.617 1 1 334 . 5 1 1 A 32 32 ILE CA C 32 58.252 59.170 -0.918 1 1 335 . 5 1 1 A 32 32 ILE HA H 32 5.409 5.228 0.181 1 1 336 . 5 1 1 A 32 32 ILE CB C 32 39.008 42.124 -3.116 1 1 348 . 5 1 1 A 32 32 ILE C C 32 175.262 174.572 0.690 1 1 350 . 5 1 1 A 33 33 THR N N 33 117.063 116.989 0.074 1 1 351 . 5 1 1 A 33 33 THR H H 33 8.906 8.795 0.111 1 1 352 . 5 1 1 A 33 33 THR CA C 33 59.591 59.782 -0.191 1 1 353 . 5 1 1 A 33 33 THR HA H 33 4.707 5.228 -0.521 1 1 354 . 5 1 1 A 33 33 THR CB C 33 72.003 72.475 -0.472 1 1 360 . 5 1 1 A 33 33 THR C C 33 173.146 173.372 -0.226 1 1 361 . 5 1 1 A 34 34 GLY N N 34 106.583 108.118 -1.535 1 1 362 . 5 1 1 A 34 34 GLY H H 34 8.603 8.483 0.120 1 1 363 . 5 1 1 A 34 34 GLY CA C 34 45.032 45.439 -0.407 1 1 364 . 5 1 1 A 34 34 GLY HA3 H 34 3.424 4.440 -1.016 1 1 365 . 5 1 1 A 34 34 GLY C C 34 172.260 172.210 0.050 1 1 366 . 5 1 1 A 34 34 GLY HA2 H 34 5.351 4.434 0.917 1 1 367 . 5 1 1 A 35 35 GLU N N 35 118.818 120.750 -1.932 1 1 368 . 5 1 1 A 35 35 GLU H H 35 8.756 8.620 0.136 1 1 369 . 5 1 1 A 35 35 GLU CA C 35 56.375 55.204 1.171 1 1 370 . 5 1 1 A 35 35 GLU HA H 35 4.739 5.145 -0.406 1 1 371 . 5 1 1 A 35 35 GLU CB C 35 34.673 33.809 0.864 1 1 375 . 5 1 1 A 35 35 GLU C C 35 173.645 174.669 -1.024 1 1 378 . 5 1 1 A 36 36 VAL N N 36 124.835 124.087 0.748 1 1 379 . 5 1 1 A 36 36 VAL H H 36 9.291 8.533 0.758 1 1 380 . 5 1 1 A 36 36 VAL CA C 36 60.780 61.595 -0.815 1 1 381 . 5 1 1 A 36 36 VAL HA H 36 4.751 4.714 0.037 1 1 382 . 5 1 1 A 36 36 VAL CB C 36 33.990 34.189 -0.199 1 1 392 . 5 1 1 A 36 36 VAL C C 36 174.137 174.665 -0.528 1 1 393 . 5 1 1 A 37 37 HIS N N 37 126.324 125.621 0.703 1 1 394 . 5 1 1 A 37 37 HIS H H 37 9.294 9.234 0.060 1 1 395 . 5 1 1 A 37 37 HIS CA C 37 54.625 55.146 -0.521 1 1 396 . 5 1 1 A 37 37 HIS HA H 37 4.751 5.001 -0.250 1 1 397 . 5 1 1 A 37 37 HIS CB C 37 30.676 31.017 -0.341 1 1 403 . 5 1 1 A 37 37 HIS C C 37 174.317 174.549 -0.232 1 1 405 . 5 1 1 A 38 38 MET N N 38 122.552 123.424 -0.872 1 1 406 . 5 1 1 A 38 38 MET H H 38 8.303 8.835 -0.532 1 1 407 . 5 1 1 A 38 38 MET CA C 38 54.086 54.678 -0.592 1 1 408 . 5 1 1 A 38 38 MET HA H 38 4.089 4.324 -0.235 1 1 409 . 5 1 1 A 38 38 MET CB C 38 32.900 32.096 0.804 1 1 417 . 5 1 1 A 38 38 MET C C 38 174.851 176.032 -1.181 1 1 420 . 5 1 1 A 39 39 PRO CA C 39 65.874 64.349 1.525 1 1 421 . 5 1 1 A 39 39 PRO HA H 39 4.156 4.313 -0.157 1 1 422 . 5 1 1 A 39 39 PRO CB C 39 31.312 31.944 -0.632 1 1 428 . 5 1 1 A 39 39 PRO C C 39 178.047 177.591 0.456 1 1 432 . 5 1 1 A 40 40 SER N N 40 111.214 111.708 -0.494 1 1 433 . 5 1 1 A 40 40 SER H H 40 8.759 7.727 1.032 1 1 434 . 5 1 1 A 40 40 SER CA C 40 59.667 58.781 0.886 1 1 435 . 5 1 1 A 40 40 SER HA H 40 4.089 4.407 -0.318 1 1 436 . 5 1 1 A 40 40 SER CB C 40 62.726 63.471 -0.745 1 1 438 . 5 1 1 A 40 40 SER C C 40 176.300 174.476 1.824 1 1 440 . 5 1 1 A 41 41 GLY N N 41 111.180 108.853 2.327 1 1 441 . 5 1 1 A 41 41 GLY H H 41 8.293 8.000 0.293 1 1 442 . 5 1 1 A 41 41 GLY CA C 41 44.624 45.065 -0.441 1 1 443 . 5 1 1 A 41 41 GLY HA3 H 41 3.620 4.022 -0.402 1 1 444 . 5 1 1 A 41 41 GLY C C 41 174.516 173.814 0.702 1 1 445 . 5 1 1 A 41 41 GLY HA2 H 41 4.447 4.021 0.426 1 1 446 . 5 1 1 A 42 42 LYS N N 42 120.452 119.559 0.893 1 1 447 . 5 1 1 A 42 42 LYS H H 42 7.038 7.741 -0.703 1 1 448 . 5 1 1 A 42 42 LYS CA C 42 56.944 54.261 2.683 1 1 449 . 5 1 1 A 42 42 LYS HA H 42 4.286 4.715 -0.429 1 1 450 . 5 1 1 A 42 42 LYS CB C 42 33.719 35.219 -1.500 1 1 457 . 5 1 1 A 42 42 LYS C C 42 175.050 175.151 -0.101 1 1 462 . 5 1 1 A 43 43 THR N N 43 111.705 111.816 -0.111 1 1 463 . 5 1 1 A 43 43 THR H H 43 8.110 8.865 -0.755 1 1 464 . 5 1 1 A 43 43 THR CA C 43 59.653 59.743 -0.090 1 1 465 . 5 1 1 A 43 43 THR HA H 43 5.450 5.187 0.263 1 1 466 . 5 1 1 A 43 43 THR CB C 43 71.842 72.099 -0.257 1 1 472 . 5 1 1 A 43 43 THR C C 43 174.054 173.047 1.007 1 1 473 . 5 1 1 A 44 44 ALA N N 44 123.338 121.727 1.611 1 1 474 . 5 1 1 A 44 44 ALA H H 44 8.683 8.174 0.509 1 1 475 . 5 1 1 A 44 44 ALA CA C 44 50.752 51.840 -1.088 1 1 476 . 5 1 1 A 44 44 ALA HA H 44 4.798 4.804 -0.006 1 1 477 . 5 1 1 A 44 44 ALA CB C 44 24.091 22.987 1.104 1 1 481 . 5 1 1 A 44 44 ALA C C 44 175.947 175.975 -0.028 1 1 482 . 5 1 1 A 45 45 THR N N 45 117.733 113.144 4.589 1 1 483 . 5 1 1 A 45 45 THR H H 45 8.934 8.513 0.421 1 1 484 . 5 1 1 A 45 45 THR CA C 45 59.517 59.656 -0.139 1 1 485 . 5 1 1 A 45 45 THR HA H 45 4.894 4.868 0.026 1 1 486 . 5 1 1 A 45 45 THR CB C 45 70.403 69.522 0.881 1 1 492 . 5 1 1 A 45 45 THR C C 45 173.394 173.760 -0.366 1 1 493 . 5 1 1 A 46 46 PRO CA C 46 62.017 62.276 -0.259 1 1 494 . 5 1 1 A 46 46 PRO HA H 46 4.978 4.724 0.254 1 1 495 . 5 1 1 A 46 46 PRO CB C 46 32.885 33.171 -0.286 1 1 501 . 5 1 1 A 46 46 PRO C C 46 173.937 175.734 -1.797 1 1 505 . 5 1 1 A 47 47 GLU N N 47 120.450 120.640 -0.190 1 1 506 . 5 1 1 A 47 47 GLU H H 47 8.894 8.545 0.349 1 1 507 . 5 1 1 A 47 47 GLU CA C 47 56.040 55.278 0.762 1 1 508 . 5 1 1 A 47 47 GLU HA H 47 4.409 4.680 -0.271 1 1 509 . 5 1 1 A 47 47 GLU CB C 47 31.436 31.132 0.304 1 1 513 . 5 1 1 A 47 47 GLU C C 47 175.160 175.045 0.115 1 1 516 . 5 1 1 A 48 48 ILE N N 48 124.818 128.156 -3.338 1 1 517 . 5 1 1 A 48 48 ILE H H 48 8.467 8.849 -0.382 1 1 518 . 5 1 1 A 48 48 ILE CA C 48 60.408 60.228 0.180 1 1 519 . 5 1 1 A 48 48 ILE HA H 48 4.727 4.486 0.241 1 1 520 . 5 1 1 A 48 48 ILE CB C 48 38.177 36.481 1.696 1 1 532 . 5 1 1 A 48 48 ILE C C 48 175.681 174.407 1.274 1 1 534 . 5 1 1 A 49 49 VAL N N 49 129.411 127.325 2.086 1 1 535 . 5 1 1 A 49 49 VAL H H 49 9.417 8.349 1.068 1 1 536 . 5 1 1 A 49 49 VAL CA C 49 61.259 60.748 0.511 1 1 537 . 5 1 1 A 49 49 VAL HA H 49 4.188 4.622 -0.434 1 1 538 . 5 1 1 A 49 49 VAL CB C 49 34.719 35.237 -0.518 1 1 548 . 5 1 1 A 49 49 VAL C C 49 174.654 173.600 1.054 1 1 549 . 5 1 1 A 50 50 ASP N N 50 125.078 127.838 -2.760 1 1 550 . 5 1 1 A 50 50 ASP H H 50 8.664 8.843 -0.179 1 1 551 . 5 1 1 A 50 50 ASP CA C 50 53.899 52.603 1.296 1 1 552 . 5 1 1 A 50 50 ASP HA H 50 4.683 5.177 -0.494 1 1 553 . 5 1 1 A 50 50 ASP CB C 50 41.270 41.864 -0.594 1 1 555 . 5 1 1 A 50 50 ASP C C 50 176.440 175.641 0.799 1 1 557 . 5 1 1 A 51 51 ASN N N 51 123.926 125.462 -1.536 1 1 558 . 5 1 1 A 51 51 ASN H H 51 8.212 8.750 -0.538 1 1 559 . 5 1 1 A 51 51 ASN CA C 51 53.917 53.684 0.233 1 1 560 . 5 1 1 A 51 51 ASN HA H 51 4.703 4.597 0.106 1 1 561 . 5 1 1 A 51 51 ASN CB C 51 38.667 39.548 -0.881 1 1 566 . 5 1 1 A 51 51 ASN C C 51 176.260 175.842 0.418 1 1 568 . 5 1 1 A 52 52 LYS N N 52 115.640 120.945 -5.305 1 1 569 . 5 1 1 A 52 52 LYS H H 52 9.145 8.951 0.194 1 1 570 . 5 1 1 A 52 52 LYS CA C 52 58.127 56.655 1.472 1 1 571 . 5 1 1 A 52 52 LYS HA H 52 4.040 4.464 -0.424 1 1 572 . 5 1 1 A 52 52 LYS CB C 52 29.405 32.049 -2.644 1 1 580 . 5 1 1 A 52 52 LYS C C 52 175.471 176.634 -1.163 1 1 585 . 5 1 1 A 53 53 ASP N N 53 117.607 117.296 0.311 1 1 586 . 5 1 1 A 53 53 ASP H H 53 7.824 7.840 -0.016 1 1 587 . 5 1 1 A 53 53 ASP CA C 53 52.598 53.709 -1.111 1 1 588 . 5 1 1 A 53 53 ASP HA H 53 4.690 4.758 -0.068 1 1 589 . 5 1 1 A 53 53 ASP CB C 53 40.929 42.733 -1.804 1 1 591 . 5 1 1 A 53 53 ASP C C 53 177.173 176.636 0.537 1 1 593 . 5 1 1 A 54 54 GLY N N 54 108.692 105.831 2.861 1 1 594 . 5 1 1 A 54 54 GLY H H 54 8.548 8.065 0.483 1 1 595 . 5 1 1 A 54 54 GLY CA C 54 45.161 44.911 0.250 1 1 596 . 5 1 1 A 54 54 GLY HA3 H 54 3.653 4.026 -0.373 1 1 597 . 5 1 1 A 54 54 GLY C C 54 173.737 173.864 -0.127 1 1 598 . 5 1 1 A 54 54 GLY HA2 H 54 4.372 4.022 0.350 1 1 599 . 5 1 1 A 55 55 THR N N 55 110.165 110.816 -0.651 1 1 600 . 5 1 1 A 55 55 THR H H 55 7.929 7.618 0.311 1 1 601 . 5 1 1 A 55 55 THR CA C 55 60.412 59.184 1.228 1 1 602 . 5 1 1 A 55 55 THR HA H 55 5.100 4.800 0.300 1 1 603 . 5 1 1 A 55 55 THR CB C 55 73.027 72.168 0.859 1 1 609 . 5 1 1 A 55 55 THR C C 55 174.206 173.360 0.846 1 1 610 . 5 1 1 A 56 56 VAL N N 56 115.822 120.565 -4.743 1 1 611 . 5 1 1 A 56 56 VAL H H 56 8.581 8.393 0.188 1 1 612 . 5 1 1 A 56 56 VAL CA C 56 59.608 60.143 -0.535 1 1 613 . 5 1 1 A 56 56 VAL HA H 56 5.132 5.190 -0.058 1 1 614 . 5 1 1 A 56 56 VAL CB C 56 35.607 34.709 0.898 1 1 624 . 5 1 1 A 56 56 VAL C C 56 174.437 175.086 -0.649 1 1 625 . 5 1 1 A 57 57 THR N N 57 120.574 121.373 -0.799 1 1 626 . 5 1 1 A 57 57 THR H H 57 9.151 9.000 0.151 1 1 627 . 5 1 1 A 57 57 THR CA C 57 61.543 61.558 -0.015 1 1 628 . 5 1 1 A 57 57 THR HA H 57 5.021 5.185 -0.164 1 1 629 . 5 1 1 A 57 57 THR CB C 57 71.080 71.296 -0.216 1 1 635 . 5 1 1 A 57 57 THR C C 57 173.190 173.148 0.042 1 1 636 . 5 1 1 A 58 58 VAL N N 58 127.832 128.448 -0.616 1 1 637 . 5 1 1 A 58 58 VAL H H 58 9.296 9.398 -0.102 1 1 638 . 5 1 1 A 58 58 VAL CA C 58 61.204 61.638 -0.434 1 1 639 . 5 1 1 A 58 58 VAL HA H 58 4.774 4.819 -0.045 1 1 640 . 5 1 1 A 58 58 VAL CB C 58 32.626 31.437 1.189 1 1 650 . 5 1 1 A 58 58 VAL C C 58 173.991 174.713 -0.722 1 1 651 . 5 1 1 A 59 59 ARG N N 59 126.761 129.194 -2.433 1 1 652 . 5 1 1 A 59 59 ARG H H 59 9.190 8.599 0.591 1 1 653 . 5 1 1 A 59 59 ARG CA C 59 54.384 54.036 0.348 1 1 654 . 5 1 1 A 59 59 ARG HA H 59 5.488 5.280 0.208 1 1 655 . 5 1 1 A 59 59 ARG CB C 59 34.262 33.886 0.376 1 1 661 . 5 1 1 A 59 59 ARG C C 59 174.849 174.231 0.618 1 1 665 . 5 1 1 A 60 60 TYR N N 60 123.838 125.954 -2.116 1 1 666 . 5 1 1 A 60 60 TYR H H 60 9.164 8.708 0.456 1 1 667 . 5 1 1 A 60 60 TYR CA C 60 56.684 57.930 -1.246 1 1 668 . 5 1 1 A 60 60 TYR HA H 60 5.024 5.050 -0.026 1 1 669 . 5 1 1 A 60 60 TYR CB C 60 42.761 42.010 0.751 1 1 675 . 5 1 1 A 60 60 TYR C C 60 171.861 173.519 -1.658 1 1 677 . 5 1 1 A 61 61 ALA N N 61 134.382 127.913 6.469 1 1 678 . 5 1 1 A 61 61 ALA H H 61 8.023 8.153 -0.130 1 1 679 . 5 1 1 A 61 61 ALA CA C 61 47.869 48.089 -0.220 1 1 680 . 5 1 1 A 61 61 ALA HA H 61 4.670 4.491 0.179 1 1 681 . 5 1 1 A 61 61 ALA CB C 61 18.685 20.328 -1.643 1 1 685 . 5 1 1 A 61 61 ALA C C 61 172.714 175.243 -2.529 1 1 686 . 5 1 1 A 62 62 PRO CA C 62 62.455 62.493 -0.038 1 1 687 . 5 1 1 A 62 62 PRO HA H 62 4.137 4.566 -0.429 1 1 688 . 5 1 1 A 62 62 PRO CB C 62 33.972 31.834 2.138 1 1 694 . 5 1 1 A 62 62 PRO C C 62 175.567 177.286 -1.719 1 1 698 . 5 1 1 A 63 63 THR N N 63 106.145 113.183 -7.038 1 1 699 . 5 1 1 A 63 63 THR H H 63 8.819 8.422 0.397 1 1 700 . 5 1 1 A 63 63 THR CA C 63 60.795 63.466 -2.671 1 1 701 . 5 1 1 A 63 63 THR HA H 63 4.278 4.338 -0.060 1 1 702 . 5 1 1 A 63 63 THR CB C 63 70.379 69.320 1.059 1 1 708 . 5 1 1 A 63 63 THR C C 63 173.771 174.938 -1.167 1 1 709 . 5 1 1 A 64 64 GLU N N 64 119.851 119.920 -0.069 1 1 710 . 5 1 1 A 64 64 GLU H H 64 7.217 7.766 -0.549 1 1 711 . 5 1 1 A 64 64 GLU CA C 64 54.483 54.909 -0.426 1 1 712 . 5 1 1 A 64 64 GLU HA H 64 4.560 4.530 0.030 1 1 713 . 5 1 1 A 64 64 GLU CB C 64 33.675 32.923 0.752 1 1 717 . 5 1 1 A 64 64 GLU C C 64 173.177 175.486 -2.309 1 1 720 . 5 1 1 A 65 65 VAL N N 65 114.914 119.827 -4.913 1 1 721 . 5 1 1 A 65 65 VAL H H 65 7.740 8.290 -0.550 1 1 722 . 5 1 1 A 65 65 VAL CA C 65 61.412 61.724 -0.312 1 1 723 . 5 1 1 A 65 65 VAL HA H 65 3.730 4.225 -0.495 1 1 724 . 5 1 1 A 65 65 VAL CB C 65 33.477 33.312 0.165 1 1 734 . 5 1 1 A 65 65 VAL C C 65 176.588 175.024 1.564 1 1 735 . 5 1 1 A 66 66 GLY N N 66 108.948 108.853 0.095 1 1 736 . 5 1 1 A 66 66 GLY H H 66 8.821 7.989 0.832 1 1 737 . 5 1 1 A 66 66 GLY CA C 66 43.304 43.760 -0.456 1 1 738 . 5 1 1 A 66 66 GLY HA3 H 66 4.468 4.003 0.465 1 1 739 . 5 1 1 A 66 66 GLY C C 66 175.811 171.989 3.822 1 1 740 . 5 1 1 A 66 66 GLY HA2 H 66 3.184 3.941 -0.757 1 1 741 . 5 1 1 A 67 67 LEU N N 67 126.594 122.433 4.161 1 1 742 . 5 1 1 A 67 67 LEU H H 67 9.023 8.388 0.635 1 1 743 . 5 1 1 A 67 67 LEU CA C 67 56.432 53.364 3.068 1 1 744 . 5 1 1 A 67 67 LEU HA H 67 4.137 5.020 -0.883 1 1 745 . 5 1 1 A 67 67 LEU CB C 67 41.933 44.193 -2.260 1 1 757 . 5 1 1 A 67 67 LEU C C 67 174.817 174.791 0.026 1 1 759 . 5 1 1 A 68 68 HIS N N 68 127.130 126.254 0.876 1 1 760 . 5 1 1 A 68 68 HIS H H 68 9.165 8.362 0.803 1 1 761 . 5 1 1 A 68 68 HIS CA C 68 54.518 54.675 -0.157 1 1 762 . 5 1 1 A 68 68 HIS HA H 68 4.562 5.054 -0.492 1 1 763 . 5 1 1 A 68 68 HIS CB C 68 32.159 31.296 0.863 1 1 769 . 5 1 1 A 68 68 HIS C C 68 173.717 173.566 0.151 1 1 771 . 5 1 1 A 69 69 GLU N N 69 116.428 124.064 -7.636 1 1 772 . 5 1 1 A 69 69 GLU H H 69 8.096 8.811 -0.715 1 1 773 . 5 1 1 A 69 69 GLU CA C 69 54.625 55.012 -0.387 1 1 774 . 5 1 1 A 69 69 GLU HA H 69 5.274 5.309 -0.035 1 1 775 . 5 1 1 A 69 69 GLU CB C 69 34.361 32.307 2.054 1 1 779 . 5 1 1 A 69 69 GLU C C 69 174.811 175.035 -0.224 1 1 782 . 5 1 1 A 70 70 MET N N 70 126.104 127.744 -1.640 1 1 783 . 5 1 1 A 70 70 MET H H 70 9.874 9.435 0.439 1 1 784 . 5 1 1 A 70 70 MET CA C 70 54.399 54.333 0.066 1 1 785 . 5 1 1 A 70 70 MET HA H 70 5.272 5.357 -0.085 1 1 786 . 5 1 1 A 70 70 MET CB C 70 36.158 34.823 1.335 1 1 794 . 5 1 1 A 70 70 MET C C 70 173.699 175.188 -1.489 1 1 797 . 5 1 1 A 71 71 HIS N N 71 129.007 123.155 5.852 1 1 798 . 5 1 1 A 71 71 HIS H H 71 9.533 9.357 0.176 1 1 799 . 5 1 1 A 71 71 HIS CA C 71 54.201 54.416 -0.215 1 1 800 . 5 1 1 A 71 71 HIS HA H 71 5.273 5.179 0.094 1 1 801 . 5 1 1 A 71 71 HIS CB C 71 33.546 31.732 1.814 1 1 807 . 5 1 1 A 71 71 HIS C C 71 174.997 173.770 1.227 1 1 809 . 5 1 1 A 72 72 ILE N N 72 126.123 124.987 1.136 1 1 810 . 5 1 1 A 72 72 ILE H H 72 9.842 9.074 0.768 1 1 811 . 5 1 1 A 72 72 ILE CA C 72 60.037 59.968 0.069 1 1 812 . 5 1 1 A 72 72 ILE HA H 72 4.885 4.947 -0.062 1 1 813 . 5 1 1 A 72 72 ILE CB C 72 40.102 40.104 -0.002 1 1 825 . 5 1 1 A 72 72 ILE C C 72 173.955 175.357 -1.402 1 1 827 . 5 1 1 A 73 73 LYS N N 73 124.414 125.694 -1.280 1 1 828 . 5 1 1 A 73 73 LYS H H 73 8.854 8.871 -0.017 1 1 829 . 5 1 1 A 73 73 LYS CA C 73 54.200 54.965 -0.765 1 1 830 . 5 1 1 A 73 73 LYS HA H 73 4.964 5.008 -0.044 1 1 831 . 5 1 1 A 73 73 LYS CB C 73 36.335 35.504 0.831 1 1 839 . 5 1 1 A 73 73 LYS C C 73 174.360 174.220 0.140 1 1 844 . 5 1 1 A 74 74 TYR N N 74 121.190 126.364 -5.174 1 1 845 . 5 1 1 A 74 74 TYR H H 74 8.979 9.308 -0.329 1 1 846 . 5 1 1 A 74 74 TYR CA C 74 55.271 57.483 -2.212 1 1 847 . 5 1 1 A 74 74 TYR HA H 74 5.365 4.858 0.507 1 1 848 . 5 1 1 A 74 74 TYR CB C 74 41.143 40.343 0.800 1 1 858 . 5 1 1 A 74 74 TYR C C 74 175.646 174.924 0.722 1 1 860 . 5 1 1 A 75 75 MET N N 75 125.219 126.882 -1.663 1 1 861 . 5 1 1 A 75 75 MET H H 75 9.096 9.520 -0.424 1 1 862 . 5 1 1 A 75 75 MET CA C 75 56.166 56.565 -0.399 1 1 863 . 5 1 1 A 75 75 MET HA H 75 3.920 4.198 -0.278 1 1 864 . 5 1 1 A 75 75 MET CB C 75 29.423 31.067 -1.644 1 1 872 . 5 1 1 A 75 75 MET C C 75 176.809 176.046 0.763 1 1 875 . 5 1 1 A 76 76 GLY N N 76 102.874 104.416 -1.542 1 1 876 . 5 1 1 A 76 76 GLY H H 76 8.573 8.610 -0.037 1 1 877 . 5 1 1 A 76 76 GLY CA C 76 45.421 46.351 -0.930 1 1 878 . 5 1 1 A 76 76 GLY HA3 H 76 4.221 3.906 0.315 1 1 879 . 5 1 1 A 76 76 GLY C C 76 174.014 173.800 0.214 1 1 880 . 5 1 1 A 76 76 GLY HA2 H 76 3.471 3.889 -0.418 1 1 881 . 5 1 1 A 77 77 SER N N 77 115.868 114.900 0.968 1 1 882 . 5 1 1 A 77 77 SER H H 77 7.609 7.737 -0.128 1 1 883 . 5 1 1 A 77 77 SER CA C 77 56.956 57.631 -0.675 1 1 884 . 5 1 1 A 77 77 SER HA H 77 4.935 4.897 0.038 1 1 885 . 5 1 1 A 77 77 SER CB C 77 65.336 65.924 -0.588 1 1 887 . 5 1 1 A 77 77 SER C C 77 173.677 173.357 0.320 1 1 889 . 5 1 1 A 78 78 HIS N N 78 124.606 124.440 0.166 1 1 890 . 5 1 1 A 78 78 HIS H H 78 8.751 8.966 -0.215 1 1 891 . 5 1 1 A 78 78 HIS CA C 78 59.005 57.022 1.983 1 1 892 . 5 1 1 A 78 78 HIS HA H 78 4.617 4.672 -0.055 1 1 893 . 5 1 1 A 78 78 HIS CB C 78 32.066 30.823 1.243 1 1 899 . 5 1 1 A 78 78 HIS C C 78 178.429 175.516 2.913 1 1 901 . 5 1 1 A 79 79 ILE N N 79 117.547 117.770 -0.223 1 1 902 . 5 1 1 A 79 79 ILE H H 79 8.102 7.877 0.225 1 1 903 . 5 1 1 A 79 79 ILE CA C 79 61.442 58.169 3.273 1 1 904 . 5 1 1 A 79 79 ILE HA H 79 4.737 4.564 0.173 1 1 905 . 5 1 1 A 79 79 ILE CB C 79 35.644 38.492 -2.848 1 1 917 . 5 1 1 A 79 79 ILE C C 79 174.657 175.895 -1.238 1 1 919 . 5 1 1 A 80 80 PRO CA C 80 66.398 64.273 2.125 1 1 920 . 5 1 1 A 80 80 PRO HA H 80 4.296 4.522 -0.226 1 1 921 . 5 1 1 A 80 80 PRO CB C 80 31.380 31.549 -0.169 1 1 927 . 5 1 1 A 80 80 PRO C C 80 177.763 176.861 0.902 1 1 931 . 5 1 1 A 81 81 GLU N N 81 114.279 117.381 -3.102 1 1 932 . 5 1 1 A 81 81 GLU H H 81 8.913 8.357 0.556 1 1 933 . 5 1 1 A 81 81 GLU CA C 81 58.285 56.540 1.745 1 1 934 . 5 1 1 A 81 81 GLU HA H 81 4.043 4.580 -0.537 1 1 935 . 5 1 1 A 81 81 GLU CB C 81 29.010 31.234 -2.224 1 1 939 . 5 1 1 A 81 81 GLU C C 81 174.743 175.774 -1.031 1 1 942 . 5 1 1 A 82 82 SER N N 82 112.700 116.117 -3.417 1 1 943 . 5 1 1 A 82 82 SER H H 82 7.918 7.705 0.213 1 1 944 . 5 1 1 A 82 82 SER CA C 82 54.519 55.939 -1.420 1 1 945 . 5 1 1 A 82 82 SER HA H 82 4.798 4.942 -0.144 1 1 946 . 5 1 1 A 82 82 SER CB C 82 64.077 65.900 -1.823 1 1 948 . 5 1 1 A 82 82 SER C C 82 173.394 171.597 1.797 1 1 950 . 5 1 1 A 83 83 PRO CA C 83 62.597 62.708 -0.111 1 1 951 . 5 1 1 A 83 83 PRO HA H 83 5.247 4.776 0.471 1 1 952 . 5 1 1 A 83 83 PRO CB C 83 34.681 32.632 2.049 1 1 958 . 5 1 1 A 83 83 PRO C C 83 175.783 176.239 -0.456 1 1 962 . 5 1 1 A 84 84 LEU N N 84 123.427 117.235 6.192 1 1 963 . 5 1 1 A 84 84 LEU H H 84 9.099 8.107 0.992 1 1 964 . 5 1 1 A 84 84 LEU CA C 84 54.413 52.449 1.964 1 1 965 . 5 1 1 A 84 84 LEU HA H 84 4.893 5.356 -0.463 1 1 966 . 5 1 1 A 84 84 LEU CB C 84 44.452 46.404 -1.952 1 1 978 . 5 1 1 A 84 84 LEU C C 84 176.054 175.071 0.983 1 1 980 . 5 1 1 A 85 85 GLN N N 85 122.438 118.106 4.332 1 1 981 . 5 1 1 A 85 85 GLN H H 85 8.869 8.960 -0.091 1 1 982 . 5 1 1 A 85 85 GLN CA C 85 54.811 54.086 0.725 1 1 983 . 5 1 1 A 85 85 GLN HA H 85 5.359 5.412 -0.053 1 1 984 . 5 1 1 A 85 85 GLN CB C 85 30.972 32.204 -1.232 1 1 991 . 5 1 1 A 85 85 GLN C C 85 175.687 174.922 0.765 1 1 994 . 5 1 1 A 86 86 PHE N N 86 118.108 117.752 0.356 1 1 995 . 5 1 1 A 86 86 PHE H H 86 8.483 8.215 0.268 1 1 996 . 5 1 1 A 86 86 PHE CA C 86 56.104 55.484 0.620 1 1 997 . 5 1 1 A 86 86 PHE HA H 86 4.917 5.532 -0.615 1 1 998 . 5 1 1 A 86 86 PHE CB C 86 40.732 41.847 -1.115 1 1 1010 . 5 1 1 A 86 86 PHE C C 86 171.607 172.770 -1.163 1 1 1012 . 5 1 1 A 87 87 TYR N N 87 124.521 125.607 -1.086 1 1 1013 . 5 1 1 A 87 87 TYR H H 87 9.179 9.084 0.095 1 1 1014 . 5 1 1 A 87 87 TYR CA C 87 57.832 58.730 -0.898 1 1 1015 . 5 1 1 A 87 87 TYR HA H 87 4.643 5.114 -0.471 1 1 1016 . 5 1 1 A 87 87 TYR CB C 87 40.731 39.624 1.107 1 1 1026 . 5 1 1 A 87 87 TYR C C 87 175.145 174.376 0.769 1 1 1028 . 5 1 1 A 88 88 VAL N N 88 129.828 127.458 2.370 1 1 1029 . 5 1 1 A 88 88 VAL H H 88 7.865 8.202 -0.337 1 1 1030 . 5 1 1 A 88 88 VAL CA C 88 61.875 61.320 0.555 1 1 1031 . 5 1 1 A 88 88 VAL HA H 88 4.219 4.567 -0.348 1 1 1032 . 5 1 1 A 88 88 VAL CB C 88 32.943 32.471 0.472 1 1 1042 . 5 1 1 A 88 88 VAL C C 88 174.472 175.437 -0.965 1 1 1043 . 5 1 1 A 89 89 ASN N N 89 124.798 127.370 -2.572 1 1 1044 . 5 1 1 A 89 89 ASN H H 89 8.649 8.957 -0.308 1 1 1045 . 5 1 1 A 89 89 ASN CA C 89 52.062 52.278 -0.216 1 1 1046 . 5 1 1 A 89 89 ASN HA H 89 5.024 4.887 0.137 1 1 1047 . 5 1 1 A 89 89 ASN CB C 89 41.470 39.668 1.802 1 1 1052 . 5 1 1 A 89 89 ASN C C 89 175.232 174.486 0.746 1 1 1054 . 5 1 1 A 90 90 TYR N N 90 119.662 124.580 -4.918 1 1 1055 . 5 1 1 A 90 90 TYR H H 90 8.559 8.901 -0.342 1 1 1056 . 5 1 1 A 90 90 TYR CA C 90 58.020 56.593 1.427 1 1 1057 . 5 1 1 A 90 90 TYR HA H 90 4.485 4.995 -0.510 1 1 1058 . 5 1 1 A 90 90 TYR CB C 90 37.880 40.376 -2.496 1 1 1068 . 5 1 1 A 90 90 TYR C C 90 174.972 174.161 0.811 1 1 1070 . 5 1 1 A 91 91 PRO CA C 91 63.396 62.347 1.049 1 1 1071 . 5 1 1 A 91 91 PRO HA H 91 4.337 4.344 -0.007 1 1 1072 . 5 1 1 A 91 91 PRO CB C 91 32.028 31.814 0.214 1 1 1081 . 5 1 1 A 92 92 ASN N N 92 118.175 117.901 0.274 1 1 1082 . 5 1 1 A 92 92 ASN H H 92 8.429 8.226 0.203 1 1 1083 . 5 1 1 A 92 92 ASN CA C 92 53.343 54.406 -1.063 1 1 1084 . 5 1 1 A 92 92 ASN HA H 92 4.691 4.746 -0.055 1 1 1085 . 5 1 1 A 92 92 ASN CB C 92 39.000 39.124 -0.124 1 1 1091 . 5 1 1 A 93 93 SER N N 93 115.984 111.928 4.056 1 1 1092 . 5 1 1 A 93 93 SER H H 93 8.344 8.060 0.284 1 1 1093 . 5 1 1 A 93 93 SER CA C 93 58.618 56.659 1.959 1 1 1094 . 5 1 1 A 93 93 SER HA H 93 4.474 4.954 -0.480 1 1 1095 . 5 1 1 A 93 93 SER CB C 93 63.894 64.884 -0.990 1 1 1098 . 5 1 1 A 94 94 GLY N N 94 111.442 110.277 1.165 1 1 1099 . 5 1 1 A 94 94 GLY H H 94 8.499 8.499 0.000 1 1 1100 . 5 1 1 A 94 94 GLY CA C 94 45.417 45.501 -0.084 1 1 1101 . 5 1 1 A 94 94 GLY HA3 H 94 4.016 4.304 -0.288 1 1 1102 . 5 1 1 A 94 94 GLY C C 94 173.391 172.624 0.767 1 1 1103 . 5 1 1 A 94 94 GLY HA2 H 94 4.016 4.289 -0.273 1 1 1 . 6 1 1 A 2 2 SER CA C 2 58.268 57.625 0.643 1 1 2 . 6 1 1 A 2 2 SER CB C 2 63.729 64.861 -1.132 1 1 3 . 6 1 1 A 2 2 SER C C 2 174.818 174.317 0.501 1 1 4 . 6 1 1 A 3 3 SER CA C 3 58.693 59.514 -0.821 1 1 5 . 6 1 1 A 3 3 SER CB C 3 63.906 61.578 2.328 1 1 6 . 6 1 1 A 3 3 SER C C 3 174.981 173.594 1.387 1 1 7 . 6 1 1 A 5 5 SER C C 5 178.688 173.478 5.210 1 1 8 . 6 1 1 A 6 6 SER CA C 6 58.453 57.365 1.088 1 1 9 . 6 1 1 A 6 6 SER HA H 6 4.502 4.961 -0.459 1 1 10 . 6 1 1 A 6 6 SER CB C 6 63.956 67.506 -3.550 1 1 13 . 6 1 1 A 7 7 GLY N N 7 110.931 108.917 2.014 1 1 14 . 6 1 1 A 7 7 GLY H H 7 8.436 8.486 -0.050 1 1 15 . 6 1 1 A 7 7 GLY CA C 7 45.357 45.185 0.172 1 1 16 . 6 1 1 A 7 7 GLY HA3 H 7 3.979 4.209 -0.230 1 1 17 . 6 1 1 A 7 7 GLY C C 7 174.128 173.469 0.659 1 1 18 . 6 1 1 A 7 7 GLY HA2 H 7 3.979 4.208 -0.229 1 1 19 . 6 1 1 A 8 8 VAL N N 8 119.070 120.845 -1.775 1 1 20 . 6 1 1 A 8 8 VAL H H 8 8.006 8.606 -0.600 1 1 21 . 6 1 1 A 8 8 VAL CA C 8 62.332 60.981 1.351 1 1 22 . 6 1 1 A 8 8 VAL HA H 8 4.180 4.536 -0.356 1 1 23 . 6 1 1 A 8 8 VAL CB C 8 32.819 33.372 -0.553 1 1 33 . 6 1 1 A 8 8 VAL C C 8 176.359 175.977 0.382 1 1 34 . 6 1 1 A 9 9 SER N N 9 119.223 119.208 0.015 1 1 35 . 6 1 1 A 9 9 SER H H 9 8.418 8.442 -0.024 1 1 36 . 6 1 1 A 9 9 SER CA C 9 58.392 59.666 -1.274 1 1 37 . 6 1 1 A 9 9 SER HA H 9 4.469 4.335 0.134 1 1 38 . 6 1 1 A 9 9 SER CB C 9 63.948 63.942 0.006 1 1 40 . 6 1 1 A 9 9 SER C C 9 174.256 174.186 0.070 1 1 42 . 6 1 1 A 10 10 ASP N N 10 122.453 121.561 0.892 1 1 43 . 6 1 1 A 10 10 ASP H H 10 8.311 8.825 -0.514 1 1 44 . 6 1 1 A 10 10 ASP CA C 10 54.450 52.270 2.180 1 1 45 . 6 1 1 A 10 10 ASP HA H 10 4.592 5.448 -0.856 1 1 46 . 6 1 1 A 10 10 ASP CB C 10 41.174 44.816 -3.642 1 1 48 . 6 1 1 A 10 10 ASP C C 10 176.480 174.368 2.112 1 1 50 . 6 1 1 A 11 11 MET N N 11 120.428 121.249 -0.821 1 1 51 . 6 1 1 A 11 11 MET H H 11 8.340 8.983 -0.643 1 1 52 . 6 1 1 A 11 11 MET CA C 11 55.757 54.337 1.420 1 1 53 . 6 1 1 A 11 11 MET HA H 11 4.418 5.258 -0.840 1 1 54 . 6 1 1 A 11 11 MET CB C 11 32.457 34.484 -2.027 1 1 62 . 6 1 1 A 11 11 MET C C 11 176.391 174.741 1.650 1 1 65 . 6 1 1 A 12 12 ASN N N 12 118.914 123.679 -4.765 1 1 66 . 6 1 1 A 12 12 ASN H H 12 8.416 8.814 -0.398 1 1 67 . 6 1 1 A 12 12 ASN CA C 12 53.687 51.985 1.702 1 1 68 . 6 1 1 A 12 12 ASN HA H 12 4.660 5.567 -0.907 1 1 69 . 6 1 1 A 12 12 ASN CB C 12 38.924 40.928 -2.004 1 1 74 . 6 1 1 A 12 12 ASN C C 12 175.770 175.267 0.503 1 1 76 . 6 1 1 A 13 13 GLY N N 13 108.888 109.612 -0.724 1 1 77 . 6 1 1 A 13 13 GLY H H 13 8.317 8.475 -0.158 1 1 78 . 6 1 1 A 13 13 GLY CA C 13 45.658 46.210 -0.552 1 1 79 . 6 1 1 A 13 13 GLY HA3 H 13 3.920 4.281 -0.361 1 1 80 . 6 1 1 A 13 13 GLY C C 13 174.275 172.207 2.068 1 1 81 . 6 1 1 A 13 13 GLY HA2 H 13 3.920 4.268 -0.348 1 1 82 . 6 1 1 A 14 14 LEU N N 14 120.990 121.589 -0.599 1 1 83 . 6 1 1 A 14 14 LEU H H 14 8.015 8.487 -0.472 1 1 84 . 6 1 1 A 14 14 LEU CA C 14 55.074 52.940 2.134 1 1 85 . 6 1 1 A 14 14 LEU HA H 14 4.283 5.297 -1.014 1 1 86 . 6 1 1 A 14 14 LEU CB C 14 42.572 45.072 -2.500 1 1 98 . 6 1 1 A 14 14 LEU C C 14 177.365 175.719 1.646 1 1 100 . 6 1 1 A 15 15 GLY N N 15 107.853 107.726 0.127 1 1 101 . 6 1 1 A 15 15 GLY H H 15 8.198 8.544 -0.346 1 1 102 . 6 1 1 A 15 15 GLY CA C 15 44.968 45.676 -0.708 1 1 103 . 6 1 1 A 15 15 GLY HA3 H 15 3.823 4.174 -0.351 1 1 104 . 6 1 1 A 15 15 GLY C C 15 173.829 172.540 1.289 1 1 105 . 6 1 1 A 15 15 GLY HA2 H 15 3.783 4.081 -0.298 1 1 106 . 6 1 1 A 16 16 PHE N N 16 118.501 120.306 -1.805 1 1 107 . 6 1 1 A 16 16 PHE H H 16 7.868 8.988 -1.120 1 1 108 . 6 1 1 A 16 16 PHE CA C 16 57.837 56.600 1.237 1 1 109 . 6 1 1 A 16 16 PHE HA H 16 4.442 5.007 -0.565 1 1 110 . 6 1 1 A 16 16 PHE CB C 16 40.278 42.436 -2.158 1 1 122 . 6 1 1 A 16 16 PHE C C 16 176.569 174.648 1.921 1 1 124 . 6 1 1 A 17 17 LYS N N 17 126.087 123.886 2.201 1 1 125 . 6 1 1 A 17 17 LYS H H 17 8.611 8.535 0.076 1 1 126 . 6 1 1 A 17 17 LYS CA C 17 54.271 54.816 -0.545 1 1 127 . 6 1 1 A 17 17 LYS HA H 17 4.573 4.269 0.304 1 1 128 . 6 1 1 A 17 17 LYS CB C 17 32.818 33.162 -0.344 1 1 136 . 6 1 1 A 17 17 LYS C C 17 174.147 175.126 -0.979 1 1 141 . 6 1 1 A 18 18 PRO CA C 18 62.850 62.562 0.288 1 1 142 . 6 1 1 A 18 18 PRO HA H 18 4.647 4.760 -0.113 1 1 143 . 6 1 1 A 18 18 PRO CB C 18 31.990 32.944 -0.954 1 1 149 . 6 1 1 A 18 18 PRO C C 18 176.220 175.665 0.555 1 1 153 . 6 1 1 A 19 19 PHE N N 19 123.581 123.672 -0.091 1 1 154 . 6 1 1 A 19 19 PHE H H 19 8.905 8.575 0.330 1 1 155 . 6 1 1 A 19 19 PHE CA C 19 57.402 56.090 1.312 1 1 156 . 6 1 1 A 19 19 PHE HA H 19 4.502 4.987 -0.485 1 1 157 . 6 1 1 A 19 19 PHE CB C 19 41.432 41.411 0.021 1 1 169 . 6 1 1 A 19 19 PHE C C 19 173.078 173.364 -0.286 1 1 171 . 6 1 1 A 20 20 ASP N N 20 126.229 125.908 0.321 1 1 172 . 6 1 1 A 20 20 ASP H H 20 7.412 8.947 -1.535 1 1 173 . 6 1 1 A 20 20 ASP CA C 20 52.686 52.219 0.467 1 1 174 . 6 1 1 A 20 20 ASP HA H 20 5.248 4.980 0.268 1 1 175 . 6 1 1 A 20 20 ASP CB C 20 44.081 41.860 2.221 1 1 177 . 6 1 1 A 20 20 ASP C C 20 174.098 174.039 0.059 1 1 179 . 6 1 1 A 21 21 LEU N N 21 123.421 126.077 -2.656 1 1 180 . 6 1 1 A 21 21 LEU H H 21 8.641 8.555 0.086 1 1 181 . 6 1 1 A 21 21 LEU CA C 21 54.201 53.168 1.033 1 1 182 . 6 1 1 A 21 21 LEU HA H 21 4.367 4.823 -0.456 1 1 183 . 6 1 1 A 21 21 LEU CB C 21 46.118 44.981 1.137 1 1 195 . 6 1 1 A 21 21 LEU C C 21 174.294 174.802 -0.508 1 1 197 . 6 1 1 A 22 22 VAL N N 22 127.339 123.153 4.186 1 1 198 . 6 1 1 A 22 22 VAL H H 22 8.451 8.939 -0.488 1 1 199 . 6 1 1 A 22 22 VAL CA C 22 61.986 59.682 2.304 1 1 200 . 6 1 1 A 22 22 VAL HA H 22 4.572 4.940 -0.368 1 1 201 . 6 1 1 A 22 22 VAL CB C 22 32.276 34.768 -2.492 1 1 211 . 6 1 1 A 22 22 VAL C C 22 176.066 174.693 1.373 1 1 212 . 6 1 1 A 23 23 ILE N N 23 128.645 128.763 -0.118 1 1 213 . 6 1 1 A 23 23 ILE H H 23 8.998 8.113 0.885 1 1 214 . 6 1 1 A 23 23 ILE CA C 23 57.193 59.984 -2.791 1 1 215 . 6 1 1 A 23 23 ILE HA H 23 4.489 4.264 0.225 1 1 216 . 6 1 1 A 23 23 ILE CB C 23 38.455 37.850 0.605 1 1 228 . 6 1 1 A 23 23 ILE C C 23 175.434 176.482 -1.048 1 1 230 . 6 1 1 A 24 24 PRO CA C 24 63.319 65.419 -2.100 1 1 231 . 6 1 1 A 24 24 PRO HA H 24 4.600 4.412 0.188 1 1 232 . 6 1 1 A 24 24 PRO CB C 24 30.324 32.132 -1.808 1 1 238 . 6 1 1 A 24 24 PRO C C 24 174.946 176.528 -1.582 1 1 242 . 6 1 1 A 25 25 PHE N N 25 121.530 114.304 7.226 1 1 243 . 6 1 1 A 25 25 PHE H H 25 7.582 7.796 -0.214 1 1 244 . 6 1 1 A 25 25 PHE CA C 25 56.635 55.579 1.056 1 1 245 . 6 1 1 A 25 25 PHE HA H 25 4.552 4.762 -0.210 1 1 246 . 6 1 1 A 25 25 PHE CB C 25 40.977 41.301 -0.324 1 1 258 . 6 1 1 A 25 25 PHE C C 25 172.831 174.427 -1.596 1 1 260 . 6 1 1 A 26 26 ALA N N 26 124.526 121.930 2.596 1 1 261 . 6 1 1 A 26 26 ALA H H 26 7.993 8.804 -0.811 1 1 262 . 6 1 1 A 26 26 ALA CA C 26 52.074 49.825 2.249 1 1 263 . 6 1 1 A 26 26 ALA HA H 26 4.221 5.085 -0.864 1 1 264 . 6 1 1 A 26 26 ALA CB C 26 18.862 22.482 -3.620 1 1 268 . 6 1 1 A 26 26 ALA C C 26 176.973 175.626 1.347 1 1 269 . 6 1 1 A 27 27 VAL N N 27 118.422 118.493 -0.071 1 1 270 . 6 1 1 A 27 27 VAL H H 27 8.046 8.416 -0.370 1 1 271 . 6 1 1 A 27 27 VAL CA C 27 61.375 59.402 1.973 1 1 272 . 6 1 1 A 27 27 VAL HA H 27 4.248 4.524 -0.276 1 1 273 . 6 1 1 A 27 27 VAL CB C 27 34.179 35.104 -0.925 1 1 283 . 6 1 1 A 27 27 VAL C C 27 175.445 174.590 0.855 1 1 284 . 6 1 1 A 28 28 ARG N N 28 122.785 124.723 -1.938 1 1 285 . 6 1 1 A 28 28 ARG H H 28 8.275 8.002 0.273 1 1 286 . 6 1 1 A 28 28 ARG CA C 28 55.407 56.156 -0.749 1 1 287 . 6 1 1 A 28 28 ARG HA H 28 4.473 4.414 0.059 1 1 288 . 6 1 1 A 28 28 ARG CB C 28 31.087 31.540 -0.453 1 1 294 . 6 1 1 A 28 28 ARG C C 28 176.528 175.636 0.892 1 1 298 . 6 1 1 A 29 29 LYS N N 29 121.704 121.835 -0.131 1 1 299 . 6 1 1 A 29 29 LYS H H 29 8.484 8.461 0.023 1 1 300 . 6 1 1 A 29 29 LYS CA C 29 57.888 54.875 3.013 1 1 301 . 6 1 1 A 29 29 LYS HA H 29 4.170 4.682 -0.512 1 1 302 . 6 1 1 A 29 29 LYS CB C 29 32.564 34.134 -1.570 1 1 310 . 6 1 1 A 29 29 LYS C C 29 177.124 175.847 1.277 1 1 315 . 6 1 1 A 30 30 GLY N N 30 109.946 111.971 -2.025 1 1 316 . 6 1 1 A 30 30 GLY H H 30 8.546 8.285 0.261 1 1 317 . 6 1 1 A 30 30 GLY CA C 30 45.408 45.531 -0.123 1 1 318 . 6 1 1 A 30 30 GLY HA3 H 30 4.060 4.046 0.014 1 1 319 . 6 1 1 A 30 30 GLY C C 30 173.961 175.484 -1.523 1 1 320 . 6 1 1 A 30 30 GLY HA2 H 30 3.981 4.037 -0.056 1 1 321 . 6 1 1 A 31 31 GLU N N 31 118.290 120.379 -2.089 1 1 322 . 6 1 1 A 31 31 GLU H H 31 8.088 8.380 -0.292 1 1 323 . 6 1 1 A 31 31 GLU CA C 31 56.979 56.500 0.479 1 1 324 . 6 1 1 A 31 31 GLU HA H 31 4.418 4.458 -0.040 1 1 325 . 6 1 1 A 31 31 GLU CB C 31 31.108 30.287 0.821 1 1 329 . 6 1 1 A 31 31 GLU C C 31 176.184 175.206 0.978 1 1 332 . 6 1 1 A 32 32 ILE N N 32 121.780 121.855 -0.075 1 1 333 . 6 1 1 A 32 32 ILE H H 32 8.155 7.508 0.647 1 1 334 . 6 1 1 A 32 32 ILE CA C 32 58.252 59.332 -1.080 1 1 335 . 6 1 1 A 32 32 ILE HA H 32 5.409 5.176 0.233 1 1 336 . 6 1 1 A 32 32 ILE CB C 32 39.008 42.342 -3.334 1 1 348 . 6 1 1 A 32 32 ILE C C 32 175.262 174.412 0.850 1 1 350 . 6 1 1 A 33 33 THR N N 33 117.063 116.481 0.582 1 1 351 . 6 1 1 A 33 33 THR H H 33 8.906 8.629 0.277 1 1 352 . 6 1 1 A 33 33 THR CA C 33 59.591 60.081 -0.490 1 1 353 . 6 1 1 A 33 33 THR HA H 33 4.707 5.210 -0.503 1 1 354 . 6 1 1 A 33 33 THR CB C 33 72.003 72.712 -0.709 1 1 360 . 6 1 1 A 33 33 THR C C 33 173.146 173.110 0.036 1 1 361 . 6 1 1 A 34 34 GLY N N 34 106.583 108.594 -2.011 1 1 362 . 6 1 1 A 34 34 GLY H H 34 8.603 8.489 0.114 1 1 363 . 6 1 1 A 34 34 GLY CA C 34 45.032 45.384 -0.352 1 1 364 . 6 1 1 A 34 34 GLY HA3 H 34 3.424 4.424 -1.000 1 1 365 . 6 1 1 A 34 34 GLY C C 34 172.260 172.269 -0.009 1 1 366 . 6 1 1 A 34 34 GLY HA2 H 34 5.351 4.420 0.931 1 1 367 . 6 1 1 A 35 35 GLU N N 35 118.818 119.646 -0.828 1 1 368 . 6 1 1 A 35 35 GLU H H 35 8.756 8.892 -0.136 1 1 369 . 6 1 1 A 35 35 GLU CA C 35 56.375 55.279 1.096 1 1 370 . 6 1 1 A 35 35 GLU HA H 35 4.739 5.116 -0.377 1 1 371 . 6 1 1 A 35 35 GLU CB C 35 34.673 33.985 0.688 1 1 375 . 6 1 1 A 35 35 GLU C C 35 173.645 174.413 -0.768 1 1 378 . 6 1 1 A 36 36 VAL N N 36 124.835 123.914 0.921 1 1 379 . 6 1 1 A 36 36 VAL H H 36 9.291 8.809 0.482 1 1 380 . 6 1 1 A 36 36 VAL CA C 36 60.780 61.119 -0.339 1 1 381 . 6 1 1 A 36 36 VAL HA H 36 4.751 4.883 -0.132 1 1 382 . 6 1 1 A 36 36 VAL CB C 36 33.990 34.644 -0.654 1 1 392 . 6 1 1 A 36 36 VAL C C 36 174.137 174.788 -0.651 1 1 393 . 6 1 1 A 37 37 HIS N N 37 126.324 126.191 0.133 1 1 394 . 6 1 1 A 37 37 HIS H H 37 9.294 9.347 -0.053 1 1 395 . 6 1 1 A 37 37 HIS CA C 37 54.625 54.693 -0.068 1 1 396 . 6 1 1 A 37 37 HIS HA H 37 4.751 4.906 -0.155 1 1 397 . 6 1 1 A 37 37 HIS CB C 37 30.676 29.546 1.130 1 1 403 . 6 1 1 A 37 37 HIS C C 37 174.317 174.668 -0.351 1 1 405 . 6 1 1 A 38 38 MET N N 38 122.552 123.975 -1.423 1 1 406 . 6 1 1 A 38 38 MET H H 38 8.303 8.425 -0.122 1 1 407 . 6 1 1 A 38 38 MET CA C 38 54.086 55.124 -1.038 1 1 408 . 6 1 1 A 38 38 MET HA H 38 4.089 4.314 -0.225 1 1 409 . 6 1 1 A 38 38 MET CB C 38 32.900 32.308 0.592 1 1 417 . 6 1 1 A 38 38 MET C C 38 174.851 175.876 -1.025 1 1 420 . 6 1 1 A 39 39 PRO CA C 39 65.874 64.180 1.694 1 1 421 . 6 1 1 A 39 39 PRO HA H 39 4.156 4.369 -0.213 1 1 422 . 6 1 1 A 39 39 PRO CB C 39 31.312 31.526 -0.214 1 1 428 . 6 1 1 A 39 39 PRO C C 39 178.047 177.730 0.317 1 1 432 . 6 1 1 A 40 40 SER N N 40 111.214 111.575 -0.361 1 1 433 . 6 1 1 A 40 40 SER H H 40 8.759 7.793 0.966 1 1 434 . 6 1 1 A 40 40 SER CA C 40 59.667 58.667 1.000 1 1 435 . 6 1 1 A 40 40 SER HA H 40 4.089 4.465 -0.376 1 1 436 . 6 1 1 A 40 40 SER CB C 40 62.726 63.349 -0.623 1 1 438 . 6 1 1 A 40 40 SER C C 40 176.300 174.462 1.838 1 1 440 . 6 1 1 A 41 41 GLY N N 41 111.180 108.889 2.291 1 1 441 . 6 1 1 A 41 41 GLY H H 41 8.293 7.807 0.486 1 1 442 . 6 1 1 A 41 41 GLY CA C 41 44.624 45.058 -0.434 1 1 443 . 6 1 1 A 41 41 GLY HA3 H 41 3.620 3.948 -0.328 1 1 444 . 6 1 1 A 41 41 GLY C C 41 174.516 174.153 0.363 1 1 445 . 6 1 1 A 41 41 GLY HA2 H 41 4.447 3.946 0.501 1 1 446 . 6 1 1 A 42 42 LYS N N 42 120.452 119.705 0.747 1 1 447 . 6 1 1 A 42 42 LYS H H 42 7.038 7.851 -0.813 1 1 448 . 6 1 1 A 42 42 LYS CA C 42 56.944 55.302 1.642 1 1 449 . 6 1 1 A 42 42 LYS HA H 42 4.286 4.628 -0.342 1 1 450 . 6 1 1 A 42 42 LYS CB C 42 33.719 34.382 -0.663 1 1 457 . 6 1 1 A 42 42 LYS C C 42 175.050 174.907 0.143 1 1 462 . 6 1 1 A 43 43 THR N N 43 111.705 111.179 0.526 1 1 463 . 6 1 1 A 43 43 THR H H 43 8.110 8.593 -0.483 1 1 464 . 6 1 1 A 43 43 THR CA C 43 59.653 60.607 -0.954 1 1 465 . 6 1 1 A 43 43 THR HA H 43 5.450 5.550 -0.100 1 1 466 . 6 1 1 A 43 43 THR CB C 43 71.842 72.301 -0.459 1 1 472 . 6 1 1 A 43 43 THR C C 43 174.054 173.031 1.023 1 1 473 . 6 1 1 A 44 44 ALA N N 44 123.338 122.387 0.951 1 1 474 . 6 1 1 A 44 44 ALA H H 44 8.683 8.218 0.465 1 1 475 . 6 1 1 A 44 44 ALA CA C 44 50.752 51.616 -0.864 1 1 476 . 6 1 1 A 44 44 ALA HA H 44 4.798 4.852 -0.054 1 1 477 . 6 1 1 A 44 44 ALA CB C 44 24.091 22.852 1.239 1 1 481 . 6 1 1 A 44 44 ALA C C 44 175.947 175.799 0.148 1 1 482 . 6 1 1 A 45 45 THR N N 45 117.733 110.651 7.082 1 1 483 . 6 1 1 A 45 45 THR H H 45 8.934 8.496 0.438 1 1 484 . 6 1 1 A 45 45 THR CA C 45 59.517 59.257 0.260 1 1 485 . 6 1 1 A 45 45 THR HA H 45 4.894 4.825 0.069 1 1 486 . 6 1 1 A 45 45 THR CB C 45 70.403 69.609 0.794 1 1 492 . 6 1 1 A 45 45 THR C C 45 173.394 173.358 0.036 1 1 493 . 6 1 1 A 46 46 PRO CA C 46 62.017 62.398 -0.381 1 1 494 . 6 1 1 A 46 46 PRO HA H 46 4.978 4.687 0.291 1 1 495 . 6 1 1 A 46 46 PRO CB C 46 32.885 32.489 0.396 1 1 501 . 6 1 1 A 46 46 PRO C C 46 173.937 175.923 -1.986 1 1 505 . 6 1 1 A 47 47 GLU N N 47 120.450 120.618 -0.168 1 1 506 . 6 1 1 A 47 47 GLU H H 47 8.894 8.905 -0.011 1 1 507 . 6 1 1 A 47 47 GLU CA C 47 56.040 55.373 0.667 1 1 508 . 6 1 1 A 47 47 GLU HA H 47 4.409 4.613 -0.204 1 1 509 . 6 1 1 A 47 47 GLU CB C 47 31.436 30.672 0.764 1 1 513 . 6 1 1 A 47 47 GLU C C 47 175.160 175.174 -0.014 1 1 516 . 6 1 1 A 48 48 ILE N N 48 124.818 128.227 -3.409 1 1 517 . 6 1 1 A 48 48 ILE H H 48 8.467 8.754 -0.287 1 1 518 . 6 1 1 A 48 48 ILE CA C 48 60.408 60.016 0.392 1 1 519 . 6 1 1 A 48 48 ILE HA H 48 4.727 4.393 0.334 1 1 520 . 6 1 1 A 48 48 ILE CB C 48 38.177 36.325 1.852 1 1 532 . 6 1 1 A 48 48 ILE C C 48 175.681 174.746 0.935 1 1 534 . 6 1 1 A 49 49 VAL N N 49 129.411 127.749 1.662 1 1 535 . 6 1 1 A 49 49 VAL H H 49 9.417 8.720 0.697 1 1 536 . 6 1 1 A 49 49 VAL CA C 49 61.259 60.823 0.436 1 1 537 . 6 1 1 A 49 49 VAL HA H 49 4.188 4.640 -0.452 1 1 538 . 6 1 1 A 49 49 VAL CB C 49 34.719 34.250 0.469 1 1 548 . 6 1 1 A 49 49 VAL C C 49 174.654 173.916 0.738 1 1 549 . 6 1 1 A 50 50 ASP N N 50 125.078 127.980 -2.902 1 1 550 . 6 1 1 A 50 50 ASP H H 50 8.664 8.741 -0.077 1 1 551 . 6 1 1 A 50 50 ASP CA C 50 53.899 52.643 1.256 1 1 552 . 6 1 1 A 50 50 ASP HA H 50 4.683 5.128 -0.445 1 1 553 . 6 1 1 A 50 50 ASP CB C 50 41.270 41.609 -0.339 1 1 555 . 6 1 1 A 50 50 ASP C C 50 176.440 175.621 0.819 1 1 557 . 6 1 1 A 51 51 ASN N N 51 123.926 125.651 -1.725 1 1 558 . 6 1 1 A 51 51 ASN H H 51 8.212 8.728 -0.516 1 1 559 . 6 1 1 A 51 51 ASN CA C 51 53.917 53.762 0.155 1 1 560 . 6 1 1 A 51 51 ASN HA H 51 4.703 4.627 0.076 1 1 561 . 6 1 1 A 51 51 ASN CB C 51 38.667 39.508 -0.841 1 1 566 . 6 1 1 A 51 51 ASN C C 51 176.260 175.653 0.607 1 1 568 . 6 1 1 A 52 52 LYS N N 52 115.640 123.191 -7.551 1 1 569 . 6 1 1 A 52 52 LYS H H 52 9.145 8.513 0.632 1 1 570 . 6 1 1 A 52 52 LYS CA C 52 58.127 56.557 1.570 1 1 571 . 6 1 1 A 52 52 LYS HA H 52 4.040 4.386 -0.346 1 1 572 . 6 1 1 A 52 52 LYS CB C 52 29.405 32.380 -2.975 1 1 580 . 6 1 1 A 52 52 LYS C C 52 175.471 176.765 -1.294 1 1 585 . 6 1 1 A 53 53 ASP N N 53 117.607 117.716 -0.109 1 1 586 . 6 1 1 A 53 53 ASP H H 53 7.824 8.024 -0.200 1 1 587 . 6 1 1 A 53 53 ASP CA C 53 52.598 53.474 -0.876 1 1 588 . 6 1 1 A 53 53 ASP HA H 53 4.690 4.791 -0.101 1 1 589 . 6 1 1 A 53 53 ASP CB C 53 40.929 43.081 -2.152 1 1 591 . 6 1 1 A 53 53 ASP C C 53 177.173 176.509 0.664 1 1 593 . 6 1 1 A 54 54 GLY N N 54 108.692 108.104 0.588 1 1 594 . 6 1 1 A 54 54 GLY H H 54 8.548 8.078 0.470 1 1 595 . 6 1 1 A 54 54 GLY CA C 54 45.161 45.105 0.056 1 1 596 . 6 1 1 A 54 54 GLY HA3 H 54 3.653 4.008 -0.355 1 1 597 . 6 1 1 A 54 54 GLY C C 54 173.737 173.536 0.201 1 1 598 . 6 1 1 A 54 54 GLY HA2 H 54 4.372 4.004 0.368 1 1 599 . 6 1 1 A 55 55 THR N N 55 110.165 109.886 0.279 1 1 600 . 6 1 1 A 55 55 THR H H 55 7.929 7.518 0.411 1 1 601 . 6 1 1 A 55 55 THR CA C 55 60.412 59.634 0.778 1 1 602 . 6 1 1 A 55 55 THR HA H 55 5.100 4.901 0.199 1 1 603 . 6 1 1 A 55 55 THR CB C 55 73.027 72.764 0.263 1 1 609 . 6 1 1 A 55 55 THR C C 55 174.206 172.646 1.560 1 1 610 . 6 1 1 A 56 56 VAL N N 56 115.822 120.391 -4.569 1 1 611 . 6 1 1 A 56 56 VAL H H 56 8.581 8.477 0.104 1 1 612 . 6 1 1 A 56 56 VAL CA C 56 59.608 60.105 -0.497 1 1 613 . 6 1 1 A 56 56 VAL HA H 56 5.132 5.264 -0.132 1 1 614 . 6 1 1 A 56 56 VAL CB C 56 35.607 35.167 0.440 1 1 624 . 6 1 1 A 56 56 VAL C C 56 174.437 174.857 -0.420 1 1 625 . 6 1 1 A 57 57 THR N N 57 120.574 121.038 -0.464 1 1 626 . 6 1 1 A 57 57 THR H H 57 9.151 8.691 0.460 1 1 627 . 6 1 1 A 57 57 THR CA C 57 61.543 61.649 -0.106 1 1 628 . 6 1 1 A 57 57 THR HA H 57 5.021 5.041 -0.020 1 1 629 . 6 1 1 A 57 57 THR CB C 57 71.080 71.510 -0.430 1 1 635 . 6 1 1 A 57 57 THR C C 57 173.190 172.977 0.213 1 1 636 . 6 1 1 A 58 58 VAL N N 58 127.832 127.992 -0.160 1 1 637 . 6 1 1 A 58 58 VAL H H 58 9.296 9.170 0.126 1 1 638 . 6 1 1 A 58 58 VAL CA C 58 61.204 62.242 -1.038 1 1 639 . 6 1 1 A 58 58 VAL HA H 58 4.774 4.500 0.274 1 1 640 . 6 1 1 A 58 58 VAL CB C 58 32.626 30.723 1.903 1 1 650 . 6 1 1 A 58 58 VAL C C 58 173.991 174.352 -0.361 1 1 651 . 6 1 1 A 59 59 ARG N N 59 126.761 129.135 -2.374 1 1 652 . 6 1 1 A 59 59 ARG H H 59 9.190 8.910 0.280 1 1 653 . 6 1 1 A 59 59 ARG CA C 59 54.384 54.541 -0.157 1 1 654 . 6 1 1 A 59 59 ARG HA H 59 5.488 5.013 0.475 1 1 655 . 6 1 1 A 59 59 ARG CB C 59 34.262 32.160 2.102 1 1 661 . 6 1 1 A 59 59 ARG C C 59 174.849 174.334 0.515 1 1 665 . 6 1 1 A 60 60 TYR N N 60 123.838 127.883 -4.045 1 1 666 . 6 1 1 A 60 60 TYR H H 60 9.164 8.730 0.434 1 1 667 . 6 1 1 A 60 60 TYR CA C 60 56.684 56.566 0.118 1 1 668 . 6 1 1 A 60 60 TYR HA H 60 5.024 5.209 -0.185 1 1 669 . 6 1 1 A 60 60 TYR CB C 60 42.761 41.633 1.128 1 1 675 . 6 1 1 A 60 60 TYR C C 60 171.861 174.056 -2.195 1 1 677 . 6 1 1 A 61 61 ALA N N 61 134.382 130.930 3.452 1 1 678 . 6 1 1 A 61 61 ALA H H 61 8.023 8.588 -0.565 1 1 679 . 6 1 1 A 61 61 ALA CA C 61 47.869 50.032 -2.163 1 1 680 . 6 1 1 A 61 61 ALA HA H 61 4.670 4.359 0.311 1 1 681 . 6 1 1 A 61 61 ALA CB C 61 18.685 19.563 -0.878 1 1 685 . 6 1 1 A 61 61 ALA C C 61 172.714 175.653 -2.939 1 1 686 . 6 1 1 A 62 62 PRO CA C 62 62.455 62.521 -0.066 1 1 687 . 6 1 1 A 62 62 PRO HA H 62 4.137 4.254 -0.117 1 1 688 . 6 1 1 A 62 62 PRO CB C 62 33.972 31.784 2.188 1 1 694 . 6 1 1 A 62 62 PRO C C 62 175.567 176.677 -1.110 1 1 698 . 6 1 1 A 63 63 THR N N 63 106.145 113.814 -7.669 1 1 699 . 6 1 1 A 63 63 THR H H 63 8.819 8.632 0.187 1 1 700 . 6 1 1 A 63 63 THR CA C 63 60.795 63.104 -2.309 1 1 701 . 6 1 1 A 63 63 THR HA H 63 4.278 4.442 -0.164 1 1 702 . 6 1 1 A 63 63 THR CB C 63 70.379 69.541 0.838 1 1 708 . 6 1 1 A 63 63 THR C C 63 173.771 174.348 -0.577 1 1 709 . 6 1 1 A 64 64 GLU N N 64 119.851 118.984 0.867 1 1 710 . 6 1 1 A 64 64 GLU H H 64 7.217 7.594 -0.377 1 1 711 . 6 1 1 A 64 64 GLU CA C 64 54.483 54.521 -0.038 1 1 712 . 6 1 1 A 64 64 GLU HA H 64 4.560 4.530 0.030 1 1 713 . 6 1 1 A 64 64 GLU CB C 64 33.675 34.629 -0.954 1 1 717 . 6 1 1 A 64 64 GLU C C 64 173.177 175.343 -2.166 1 1 720 . 6 1 1 A 65 65 VAL N N 65 114.914 119.988 -5.074 1 1 721 . 6 1 1 A 65 65 VAL H H 65 7.740 8.450 -0.710 1 1 722 . 6 1 1 A 65 65 VAL CA C 65 61.412 61.365 0.047 1 1 723 . 6 1 1 A 65 65 VAL HA H 65 3.730 4.290 -0.560 1 1 724 . 6 1 1 A 65 65 VAL CB C 65 33.477 32.895 0.582 1 1 734 . 6 1 1 A 65 65 VAL C C 65 176.588 175.057 1.531 1 1 735 . 6 1 1 A 66 66 GLY N N 66 108.948 108.633 0.315 1 1 736 . 6 1 1 A 66 66 GLY H H 66 8.821 7.978 0.843 1 1 737 . 6 1 1 A 66 66 GLY CA C 66 43.304 43.957 -0.653 1 1 738 . 6 1 1 A 66 66 GLY HA3 H 66 4.468 3.992 0.476 1 1 739 . 6 1 1 A 66 66 GLY C C 66 175.811 171.361 4.450 1 1 740 . 6 1 1 A 66 66 GLY HA2 H 66 3.184 3.835 -0.651 1 1 741 . 6 1 1 A 67 67 LEU N N 67 126.594 121.778 4.816 1 1 742 . 6 1 1 A 67 67 LEU H H 67 9.023 8.310 0.713 1 1 743 . 6 1 1 A 67 67 LEU CA C 67 56.432 53.587 2.845 1 1 744 . 6 1 1 A 67 67 LEU HA H 67 4.137 4.810 -0.673 1 1 745 . 6 1 1 A 67 67 LEU CB C 67 41.933 43.864 -1.931 1 1 757 . 6 1 1 A 67 67 LEU C C 67 174.817 174.547 0.270 1 1 759 . 6 1 1 A 68 68 HIS N N 68 127.130 126.012 1.118 1 1 760 . 6 1 1 A 68 68 HIS H H 68 9.165 8.407 0.758 1 1 761 . 6 1 1 A 68 68 HIS CA C 68 54.518 54.398 0.120 1 1 762 . 6 1 1 A 68 68 HIS HA H 68 4.562 5.119 -0.557 1 1 763 . 6 1 1 A 68 68 HIS CB C 68 32.159 32.208 -0.049 1 1 769 . 6 1 1 A 68 68 HIS C C 68 173.717 173.467 0.250 1 1 771 . 6 1 1 A 69 69 GLU N N 69 116.428 123.690 -7.262 1 1 772 . 6 1 1 A 69 69 GLU H H 69 8.096 8.696 -0.600 1 1 773 . 6 1 1 A 69 69 GLU CA C 69 54.625 54.936 -0.311 1 1 774 . 6 1 1 A 69 69 GLU HA H 69 5.274 5.108 0.166 1 1 775 . 6 1 1 A 69 69 GLU CB C 69 34.361 32.723 1.638 1 1 779 . 6 1 1 A 69 69 GLU C C 69 174.811 174.874 -0.063 1 1 782 . 6 1 1 A 70 70 MET N N 70 126.104 127.821 -1.717 1 1 783 . 6 1 1 A 70 70 MET H H 70 9.874 9.178 0.696 1 1 784 . 6 1 1 A 70 70 MET CA C 70 54.399 54.330 0.069 1 1 785 . 6 1 1 A 70 70 MET HA H 70 5.272 5.323 -0.051 1 1 786 . 6 1 1 A 70 70 MET CB C 70 36.158 35.116 1.042 1 1 794 . 6 1 1 A 70 70 MET C C 70 173.699 175.421 -1.722 1 1 797 . 6 1 1 A 71 71 HIS N N 71 129.007 122.560 6.447 1 1 798 . 6 1 1 A 71 71 HIS H H 71 9.533 9.544 -0.011 1 1 799 . 6 1 1 A 71 71 HIS CA C 71 54.201 54.730 -0.529 1 1 800 . 6 1 1 A 71 71 HIS HA H 71 5.273 5.206 0.067 1 1 801 . 6 1 1 A 71 71 HIS CB C 71 33.546 32.182 1.364 1 1 807 . 6 1 1 A 71 71 HIS C C 71 174.997 174.477 0.520 1 1 809 . 6 1 1 A 72 72 ILE N N 72 126.123 123.182 2.941 1 1 810 . 6 1 1 A 72 72 ILE H H 72 9.842 9.032 0.810 1 1 811 . 6 1 1 A 72 72 ILE CA C 72 60.037 60.052 -0.015 1 1 812 . 6 1 1 A 72 72 ILE HA H 72 4.885 4.954 -0.069 1 1 813 . 6 1 1 A 72 72 ILE CB C 72 40.102 40.818 -0.716 1 1 825 . 6 1 1 A 72 72 ILE C C 72 173.955 175.305 -1.350 1 1 827 . 6 1 1 A 73 73 LYS N N 73 124.414 126.085 -1.671 1 1 828 . 6 1 1 A 73 73 LYS H H 73 8.854 8.655 0.199 1 1 829 . 6 1 1 A 73 73 LYS CA C 73 54.200 55.054 -0.854 1 1 830 . 6 1 1 A 73 73 LYS HA H 73 4.964 4.965 -0.001 1 1 831 . 6 1 1 A 73 73 LYS CB C 73 36.335 35.352 0.983 1 1 839 . 6 1 1 A 73 73 LYS C C 73 174.360 174.265 0.095 1 1 844 . 6 1 1 A 74 74 TYR N N 74 121.190 126.549 -5.359 1 1 845 . 6 1 1 A 74 74 TYR H H 74 8.979 9.161 -0.182 1 1 846 . 6 1 1 A 74 74 TYR CA C 74 55.271 57.443 -2.172 1 1 847 . 6 1 1 A 74 74 TYR HA H 74 5.365 4.843 0.522 1 1 848 . 6 1 1 A 74 74 TYR CB C 74 41.143 40.173 0.970 1 1 858 . 6 1 1 A 74 74 TYR C C 74 175.646 174.793 0.853 1 1 860 . 6 1 1 A 75 75 MET N N 75 125.219 127.168 -1.949 1 1 861 . 6 1 1 A 75 75 MET H H 75 9.096 9.672 -0.576 1 1 862 . 6 1 1 A 75 75 MET CA C 75 56.166 56.664 -0.498 1 1 863 . 6 1 1 A 75 75 MET HA H 75 3.920 4.123 -0.203 1 1 864 . 6 1 1 A 75 75 MET CB C 75 29.423 31.206 -1.783 1 1 872 . 6 1 1 A 75 75 MET C C 75 176.809 176.212 0.597 1 1 875 . 6 1 1 A 76 76 GLY N N 76 102.874 104.366 -1.492 1 1 876 . 6 1 1 A 76 76 GLY H H 76 8.573 8.626 -0.053 1 1 877 . 6 1 1 A 76 76 GLY CA C 76 45.421 46.197 -0.776 1 1 878 . 6 1 1 A 76 76 GLY HA3 H 76 4.221 3.894 0.327 1 1 879 . 6 1 1 A 76 76 GLY C C 76 174.014 173.761 0.253 1 1 880 . 6 1 1 A 76 76 GLY HA2 H 76 3.471 3.876 -0.405 1 1 881 . 6 1 1 A 77 77 SER N N 77 115.868 114.670 1.198 1 1 882 . 6 1 1 A 77 77 SER H H 77 7.609 7.441 0.168 1 1 883 . 6 1 1 A 77 77 SER CA C 77 56.956 57.657 -0.701 1 1 884 . 6 1 1 A 77 77 SER HA H 77 4.935 4.851 0.084 1 1 885 . 6 1 1 A 77 77 SER CB C 77 65.336 65.689 -0.353 1 1 887 . 6 1 1 A 77 77 SER C C 77 173.677 173.272 0.405 1 1 889 . 6 1 1 A 78 78 HIS N N 78 124.606 124.532 0.074 1 1 890 . 6 1 1 A 78 78 HIS H H 78 8.751 8.868 -0.117 1 1 891 . 6 1 1 A 78 78 HIS CA C 78 59.005 57.044 1.961 1 1 892 . 6 1 1 A 78 78 HIS HA H 78 4.617 4.757 -0.140 1 1 893 . 6 1 1 A 78 78 HIS CB C 78 32.066 30.904 1.162 1 1 899 . 6 1 1 A 78 78 HIS C C 78 178.429 175.588 2.841 1 1 901 . 6 1 1 A 79 79 ILE N N 79 117.547 118.893 -1.346 1 1 902 . 6 1 1 A 79 79 ILE H H 79 8.102 7.806 0.296 1 1 903 . 6 1 1 A 79 79 ILE CA C 79 61.442 57.992 3.450 1 1 904 . 6 1 1 A 79 79 ILE HA H 79 4.737 4.598 0.139 1 1 905 . 6 1 1 A 79 79 ILE CB C 79 35.644 38.635 -2.991 1 1 917 . 6 1 1 A 79 79 ILE C C 79 174.657 175.961 -1.304 1 1 919 . 6 1 1 A 80 80 PRO CA C 80 66.398 64.282 2.116 1 1 920 . 6 1 1 A 80 80 PRO HA H 80 4.296 4.506 -0.210 1 1 921 . 6 1 1 A 80 80 PRO CB C 80 31.380 31.505 -0.125 1 1 927 . 6 1 1 A 80 80 PRO C C 80 177.763 177.523 0.240 1 1 931 . 6 1 1 A 81 81 GLU N N 81 114.279 117.497 -3.218 1 1 932 . 6 1 1 A 81 81 GLU H H 81 8.913 8.349 0.564 1 1 933 . 6 1 1 A 81 81 GLU CA C 81 58.285 57.144 1.141 1 1 934 . 6 1 1 A 81 81 GLU HA H 81 4.043 4.568 -0.525 1 1 935 . 6 1 1 A 81 81 GLU CB C 81 29.010 30.961 -1.951 1 1 939 . 6 1 1 A 81 81 GLU C C 81 174.743 175.566 -0.823 1 1 942 . 6 1 1 A 82 82 SER N N 82 112.700 114.794 -2.094 1 1 943 . 6 1 1 A 82 82 SER H H 82 7.918 7.598 0.320 1 1 944 . 6 1 1 A 82 82 SER CA C 82 54.519 55.741 -1.222 1 1 945 . 6 1 1 A 82 82 SER HA H 82 4.798 4.890 -0.092 1 1 946 . 6 1 1 A 82 82 SER CB C 82 64.077 65.792 -1.715 1 1 948 . 6 1 1 A 82 82 SER C C 82 173.394 171.632 1.762 1 1 950 . 6 1 1 A 83 83 PRO CA C 83 62.597 62.562 0.035 1 1 951 . 6 1 1 A 83 83 PRO HA H 83 5.247 4.681 0.566 1 1 952 . 6 1 1 A 83 83 PRO CB C 83 34.681 32.340 2.341 1 1 958 . 6 1 1 A 83 83 PRO C C 83 175.783 176.366 -0.583 1 1 962 . 6 1 1 A 84 84 LEU N N 84 123.427 117.260 6.167 1 1 963 . 6 1 1 A 84 84 LEU H H 84 9.099 8.071 1.028 1 1 964 . 6 1 1 A 84 84 LEU CA C 84 54.413 52.371 2.042 1 1 965 . 6 1 1 A 84 84 LEU HA H 84 4.893 5.323 -0.430 1 1 966 . 6 1 1 A 84 84 LEU CB C 84 44.452 46.301 -1.849 1 1 978 . 6 1 1 A 84 84 LEU C C 84 176.054 175.775 0.279 1 1 980 . 6 1 1 A 85 85 GLN N N 85 122.438 118.395 4.043 1 1 981 . 6 1 1 A 85 85 GLN H H 85 8.869 8.586 0.283 1 1 982 . 6 1 1 A 85 85 GLN CA C 85 54.811 54.313 0.498 1 1 983 . 6 1 1 A 85 85 GLN HA H 85 5.359 5.352 0.007 1 1 984 . 6 1 1 A 85 85 GLN CB C 85 30.972 32.817 -1.845 1 1 991 . 6 1 1 A 85 85 GLN C C 85 175.687 174.839 0.848 1 1 994 . 6 1 1 A 86 86 PHE N N 86 118.108 119.140 -1.032 1 1 995 . 6 1 1 A 86 86 PHE H H 86 8.483 8.158 0.325 1 1 996 . 6 1 1 A 86 86 PHE CA C 86 56.104 55.522 0.582 1 1 997 . 6 1 1 A 86 86 PHE HA H 86 4.917 5.474 -0.557 1 1 998 . 6 1 1 A 86 86 PHE CB C 86 40.732 41.924 -1.192 1 1 1010 . 6 1 1 A 86 86 PHE C C 86 171.607 172.671 -1.064 1 1 1012 . 6 1 1 A 87 87 TYR N N 87 124.521 125.406 -0.885 1 1 1013 . 6 1 1 A 87 87 TYR H H 87 9.179 9.224 -0.045 1 1 1014 . 6 1 1 A 87 87 TYR CA C 87 57.832 57.462 0.370 1 1 1015 . 6 1 1 A 87 87 TYR HA H 87 4.643 4.964 -0.321 1 1 1016 . 6 1 1 A 87 87 TYR CB C 87 40.731 39.526 1.205 1 1 1026 . 6 1 1 A 87 87 TYR C C 87 175.145 174.910 0.235 1 1 1028 . 6 1 1 A 88 88 VAL N N 88 129.828 126.523 3.305 1 1 1029 . 6 1 1 A 88 88 VAL H H 88 7.865 8.024 -0.159 1 1 1030 . 6 1 1 A 88 88 VAL CA C 88 61.875 62.623 -0.748 1 1 1031 . 6 1 1 A 88 88 VAL HA H 88 4.219 4.138 0.081 1 1 1032 . 6 1 1 A 88 88 VAL CB C 88 32.943 31.937 1.006 1 1 1042 . 6 1 1 A 88 88 VAL C C 88 174.472 175.752 -1.280 1 1 1043 . 6 1 1 A 89 89 ASN N N 89 124.798 126.509 -1.711 1 1 1044 . 6 1 1 A 89 89 ASN H H 89 8.649 8.873 -0.224 1 1 1045 . 6 1 1 A 89 89 ASN CA C 89 52.062 52.259 -0.197 1 1 1046 . 6 1 1 A 89 89 ASN HA H 89 5.024 5.342 -0.318 1 1 1047 . 6 1 1 A 89 89 ASN CB C 89 41.470 40.699 0.771 1 1 1052 . 6 1 1 A 89 89 ASN C C 89 175.232 174.119 1.113 1 1 1054 . 6 1 1 A 90 90 TYR N N 90 119.662 125.636 -5.974 1 1 1055 . 6 1 1 A 90 90 TYR H H 90 8.559 9.017 -0.458 1 1 1056 . 6 1 1 A 90 90 TYR CA C 90 58.020 56.582 1.438 1 1 1057 . 6 1 1 A 90 90 TYR HA H 90 4.485 5.108 -0.623 1 1 1058 . 6 1 1 A 90 90 TYR CB C 90 37.880 40.919 -3.039 1 1 1068 . 6 1 1 A 90 90 TYR C C 90 174.972 174.434 0.538 1 1 1070 . 6 1 1 A 91 91 PRO CA C 91 63.396 61.944 1.452 1 1 1071 . 6 1 1 A 91 91 PRO HA H 91 4.337 4.503 -0.166 1 1 1072 . 6 1 1 A 91 91 PRO CB C 91 32.028 29.899 2.129 1 1 1081 . 6 1 1 A 92 92 ASN N N 92 118.175 121.879 -3.704 1 1 1082 . 6 1 1 A 92 92 ASN H H 92 8.429 8.177 0.252 1 1 1083 . 6 1 1 A 92 92 ASN CA C 92 53.343 52.237 1.106 1 1 1084 . 6 1 1 A 92 92 ASN HA H 92 4.691 5.052 -0.361 1 1 1085 . 6 1 1 A 92 92 ASN CB C 92 39.000 40.281 -1.281 1 1 1091 . 6 1 1 A 93 93 SER N N 93 115.984 117.819 -1.835 1 1 1092 . 6 1 1 A 93 93 SER H H 93 8.344 8.752 -0.408 1 1 1093 . 6 1 1 A 93 93 SER CA C 93 58.618 58.208 0.410 1 1 1094 . 6 1 1 A 93 93 SER HA H 93 4.474 4.750 -0.276 1 1 1095 . 6 1 1 A 93 93 SER CB C 93 63.894 64.502 -0.608 1 1 1098 . 6 1 1 A 94 94 GLY N N 94 111.442 117.293 -5.851 1 1 1099 . 6 1 1 A 94 94 GLY H H 94 8.499 8.505 -0.006 1 1 1100 . 6 1 1 A 94 94 GLY CA C 94 45.417 44.748 0.669 1 1 1101 . 6 1 1 A 94 94 GLY HA3 H 94 4.016 4.141 -0.125 1 1 1102 . 6 1 1 A 94 94 GLY C C 94 173.391 174.353 -0.962 1 1 1103 . 6 1 1 A 94 94 GLY HA2 H 94 4.016 4.135 -0.119 1 1 1 . 7 1 1 A 2 2 SER CA C 2 58.268 57.356 0.912 1 1 2 . 7 1 1 A 2 2 SER CB C 2 63.729 67.104 -3.375 1 1 3 . 7 1 1 A 2 2 SER C C 2 174.818 173.410 1.408 1 1 4 . 7 1 1 A 3 3 SER CA C 3 58.693 60.333 -1.640 1 1 5 . 7 1 1 A 3 3 SER CB C 3 63.906 62.992 0.914 1 1 6 . 7 1 1 A 3 3 SER C C 3 174.981 174.956 0.025 1 1 7 . 7 1 1 A 5 5 SER C C 5 178.688 173.095 5.593 1 1 8 . 7 1 1 A 6 6 SER CA C 6 58.453 57.892 0.561 1 1 9 . 7 1 1 A 6 6 SER HA H 6 4.502 4.822 -0.320 1 1 10 . 7 1 1 A 6 6 SER CB C 6 63.956 65.689 -1.733 1 1 13 . 7 1 1 A 7 7 GLY N N 7 110.931 117.735 -6.804 1 1 14 . 7 1 1 A 7 7 GLY H H 7 8.436 8.941 -0.505 1 1 15 . 7 1 1 A 7 7 GLY CA C 7 45.357 47.068 -1.711 1 1 16 . 7 1 1 A 7 7 GLY HA3 H 7 3.979 3.871 0.108 1 1 17 . 7 1 1 A 7 7 GLY C C 7 174.128 173.253 0.875 1 1 18 . 7 1 1 A 7 7 GLY HA2 H 7 3.979 3.869 0.110 1 1 19 . 7 1 1 A 8 8 VAL N N 8 119.070 123.141 -4.071 1 1 20 . 7 1 1 A 8 8 VAL H H 8 8.006 8.299 -0.293 1 1 21 . 7 1 1 A 8 8 VAL CA C 8 62.332 60.271 2.061 1 1 22 . 7 1 1 A 8 8 VAL HA H 8 4.180 4.801 -0.621 1 1 23 . 7 1 1 A 8 8 VAL CB C 8 32.819 34.803 -1.984 1 1 33 . 7 1 1 A 8 8 VAL C C 8 176.359 174.679 1.680 1 1 34 . 7 1 1 A 9 9 SER N N 9 119.223 123.304 -4.081 1 1 35 . 7 1 1 A 9 9 SER H H 9 8.418 8.838 -0.420 1 1 36 . 7 1 1 A 9 9 SER CA C 9 58.392 58.361 0.031 1 1 37 . 7 1 1 A 9 9 SER HA H 9 4.469 4.586 -0.117 1 1 38 . 7 1 1 A 9 9 SER CB C 9 63.948 63.199 0.749 1 1 40 . 7 1 1 A 9 9 SER C C 9 174.256 174.011 0.245 1 1 42 . 7 1 1 A 10 10 ASP N N 10 122.453 123.239 -0.786 1 1 43 . 7 1 1 A 10 10 ASP H H 10 8.311 8.860 -0.549 1 1 44 . 7 1 1 A 10 10 ASP CA C 10 54.450 52.963 1.487 1 1 45 . 7 1 1 A 10 10 ASP HA H 10 4.592 5.386 -0.794 1 1 46 . 7 1 1 A 10 10 ASP CB C 10 41.174 44.963 -3.789 1 1 48 . 7 1 1 A 10 10 ASP C C 10 176.480 173.807 2.673 1 1 50 . 7 1 1 A 11 11 MET N N 11 120.428 119.740 0.688 1 1 51 . 7 1 1 A 11 11 MET H H 11 8.340 8.799 -0.459 1 1 52 . 7 1 1 A 11 11 MET CA C 11 55.757 54.296 1.461 1 1 53 . 7 1 1 A 11 11 MET HA H 11 4.418 5.413 -0.995 1 1 54 . 7 1 1 A 11 11 MET CB C 11 32.457 36.767 -4.310 1 1 62 . 7 1 1 A 11 11 MET C C 11 176.391 174.602 1.789 1 1 65 . 7 1 1 A 12 12 ASN N N 12 118.914 120.202 -1.288 1 1 66 . 7 1 1 A 12 12 ASN H H 12 8.416 8.750 -0.334 1 1 67 . 7 1 1 A 12 12 ASN CA C 12 53.687 51.357 2.330 1 1 68 . 7 1 1 A 12 12 ASN HA H 12 4.660 5.268 -0.608 1 1 69 . 7 1 1 A 12 12 ASN CB C 12 38.924 42.830 -3.906 1 1 74 . 7 1 1 A 12 12 ASN C C 12 175.770 174.739 1.031 1 1 76 . 7 1 1 A 13 13 GLY N N 13 108.888 109.067 -0.179 1 1 77 . 7 1 1 A 13 13 GLY H H 13 8.317 8.875 -0.558 1 1 78 . 7 1 1 A 13 13 GLY CA C 13 45.658 47.042 -1.384 1 1 79 . 7 1 1 A 13 13 GLY HA3 H 13 3.920 3.900 0.020 1 1 80 . 7 1 1 A 13 13 GLY C C 13 174.275 174.755 -0.480 1 1 81 . 7 1 1 A 13 13 GLY HA2 H 13 3.920 3.898 0.022 1 1 82 . 7 1 1 A 14 14 LEU N N 14 120.990 124.780 -3.790 1 1 83 . 7 1 1 A 14 14 LEU H H 14 8.015 8.715 -0.700 1 1 84 . 7 1 1 A 14 14 LEU CA C 14 55.074 56.424 -1.350 1 1 85 . 7 1 1 A 14 14 LEU HA H 14 4.283 4.098 0.185 1 1 86 . 7 1 1 A 14 14 LEU CB C 14 42.572 42.789 -0.217 1 1 98 . 7 1 1 A 14 14 LEU C C 14 177.365 177.268 0.097 1 1 100 . 7 1 1 A 15 15 GLY N N 15 107.853 105.487 2.366 1 1 101 . 7 1 1 A 15 15 GLY H H 15 8.198 7.954 0.244 1 1 102 . 7 1 1 A 15 15 GLY CA C 15 44.968 46.316 -1.348 1 1 103 . 7 1 1 A 15 15 GLY HA3 H 15 3.823 3.856 -0.033 1 1 104 . 7 1 1 A 15 15 GLY C C 15 173.829 174.130 -0.301 1 1 105 . 7 1 1 A 15 15 GLY HA2 H 15 3.783 3.667 0.116 1 1 106 . 7 1 1 A 16 16 PHE N N 16 118.501 122.210 -3.709 1 1 107 . 7 1 1 A 16 16 PHE H H 16 7.868 7.404 0.464 1 1 108 . 7 1 1 A 16 16 PHE CA C 16 57.837 58.261 -0.424 1 1 109 . 7 1 1 A 16 16 PHE HA H 16 4.442 4.365 0.077 1 1 110 . 7 1 1 A 16 16 PHE CB C 16 40.278 39.245 1.033 1 1 122 . 7 1 1 A 16 16 PHE C C 16 176.569 175.238 1.331 1 1 124 . 7 1 1 A 17 17 LYS N N 17 126.087 121.427 4.660 1 1 125 . 7 1 1 A 17 17 LYS H H 17 8.611 8.473 0.138 1 1 126 . 7 1 1 A 17 17 LYS CA C 17 54.271 54.459 -0.188 1 1 127 . 7 1 1 A 17 17 LYS HA H 17 4.573 4.622 -0.049 1 1 128 . 7 1 1 A 17 17 LYS CB C 17 32.818 31.642 1.176 1 1 136 . 7 1 1 A 17 17 LYS C C 17 174.147 174.428 -0.281 1 1 141 . 7 1 1 A 18 18 PRO CA C 18 62.850 62.527 0.323 1 1 142 . 7 1 1 A 18 18 PRO HA H 18 4.647 4.744 -0.097 1 1 143 . 7 1 1 A 18 18 PRO CB C 18 31.990 32.561 -0.571 1 1 149 . 7 1 1 A 18 18 PRO C C 18 176.220 175.580 0.640 1 1 153 . 7 1 1 A 19 19 PHE N N 19 123.581 123.169 0.412 1 1 154 . 7 1 1 A 19 19 PHE H H 19 8.905 8.491 0.414 1 1 155 . 7 1 1 A 19 19 PHE CA C 19 57.402 56.022 1.380 1 1 156 . 7 1 1 A 19 19 PHE HA H 19 4.502 4.937 -0.435 1 1 157 . 7 1 1 A 19 19 PHE CB C 19 41.432 41.159 0.273 1 1 169 . 7 1 1 A 19 19 PHE C C 19 173.078 173.222 -0.144 1 1 171 . 7 1 1 A 20 20 ASP N N 20 126.229 125.745 0.484 1 1 172 . 7 1 1 A 20 20 ASP H H 20 7.412 8.815 -1.403 1 1 173 . 7 1 1 A 20 20 ASP CA C 20 52.686 52.247 0.439 1 1 174 . 7 1 1 A 20 20 ASP HA H 20 5.248 5.189 0.059 1 1 175 . 7 1 1 A 20 20 ASP CB C 20 44.081 42.256 1.825 1 1 177 . 7 1 1 A 20 20 ASP C C 20 174.098 174.077 0.021 1 1 179 . 7 1 1 A 21 21 LEU N N 21 123.421 124.293 -0.872 1 1 180 . 7 1 1 A 21 21 LEU H H 21 8.641 8.088 0.553 1 1 181 . 7 1 1 A 21 21 LEU CA C 21 54.201 53.934 0.267 1 1 182 . 7 1 1 A 21 21 LEU HA H 21 4.367 4.788 -0.421 1 1 183 . 7 1 1 A 21 21 LEU CB C 21 46.118 46.034 0.084 1 1 195 . 7 1 1 A 21 21 LEU C C 21 174.294 173.630 0.664 1 1 197 . 7 1 1 A 22 22 VAL N N 22 127.339 124.365 2.974 1 1 198 . 7 1 1 A 22 22 VAL H H 22 8.451 9.050 -0.599 1 1 199 . 7 1 1 A 22 22 VAL CA C 22 61.986 59.782 2.204 1 1 200 . 7 1 1 A 22 22 VAL HA H 22 4.572 5.056 -0.484 1 1 201 . 7 1 1 A 22 22 VAL CB C 22 32.276 34.136 -1.860 1 1 211 . 7 1 1 A 22 22 VAL C C 22 176.066 175.076 0.990 1 1 212 . 7 1 1 A 23 23 ILE N N 23 128.645 128.604 0.041 1 1 213 . 7 1 1 A 23 23 ILE H H 23 8.998 8.103 0.895 1 1 214 . 7 1 1 A 23 23 ILE CA C 23 57.193 60.048 -2.855 1 1 215 . 7 1 1 A 23 23 ILE HA H 23 4.489 4.167 0.322 1 1 216 . 7 1 1 A 23 23 ILE CB C 23 38.455 37.691 0.764 1 1 228 . 7 1 1 A 23 23 ILE C C 23 175.434 176.569 -1.135 1 1 230 . 7 1 1 A 24 24 PRO CA C 24 63.319 65.460 -2.141 1 1 231 . 7 1 1 A 24 24 PRO HA H 24 4.600 4.362 0.238 1 1 232 . 7 1 1 A 24 24 PRO CB C 24 30.324 31.994 -1.670 1 1 238 . 7 1 1 A 24 24 PRO C C 24 174.946 176.858 -1.912 1 1 242 . 7 1 1 A 25 25 PHE N N 25 121.530 115.111 6.419 1 1 243 . 7 1 1 A 25 25 PHE H H 25 7.582 7.943 -0.361 1 1 244 . 7 1 1 A 25 25 PHE CA C 25 56.635 55.986 0.649 1 1 245 . 7 1 1 A 25 25 PHE HA H 25 4.552 4.575 -0.023 1 1 246 . 7 1 1 A 25 25 PHE CB C 25 40.977 40.728 0.249 1 1 258 . 7 1 1 A 25 25 PHE C C 25 172.831 174.467 -1.636 1 1 260 . 7 1 1 A 26 26 ALA N N 26 124.526 121.873 2.653 1 1 261 . 7 1 1 A 26 26 ALA H H 26 7.993 8.769 -0.776 1 1 262 . 7 1 1 A 26 26 ALA CA C 26 52.074 49.801 2.273 1 1 263 . 7 1 1 A 26 26 ALA HA H 26 4.221 5.056 -0.835 1 1 264 . 7 1 1 A 26 26 ALA CB C 26 18.862 22.688 -3.826 1 1 268 . 7 1 1 A 26 26 ALA C C 26 176.973 175.453 1.520 1 1 269 . 7 1 1 A 27 27 VAL N N 27 118.422 118.134 0.288 1 1 270 . 7 1 1 A 27 27 VAL H H 27 8.046 8.375 -0.329 1 1 271 . 7 1 1 A 27 27 VAL CA C 27 61.375 59.319 2.056 1 1 272 . 7 1 1 A 27 27 VAL HA H 27 4.248 4.511 -0.263 1 1 273 . 7 1 1 A 27 27 VAL CB C 27 34.179 35.425 -1.246 1 1 283 . 7 1 1 A 27 27 VAL C C 27 175.445 173.593 1.852 1 1 284 . 7 1 1 A 28 28 ARG N N 28 122.785 122.163 0.622 1 1 285 . 7 1 1 A 28 28 ARG H H 28 8.275 8.317 -0.042 1 1 286 . 7 1 1 A 28 28 ARG CA C 28 55.407 54.943 0.464 1 1 287 . 7 1 1 A 28 28 ARG HA H 28 4.473 4.818 -0.345 1 1 288 . 7 1 1 A 28 28 ARG CB C 28 31.087 32.157 -1.070 1 1 294 . 7 1 1 A 28 28 ARG C C 28 176.528 175.701 0.827 1 1 298 . 7 1 1 A 29 29 LYS N N 29 121.704 123.847 -2.143 1 1 299 . 7 1 1 A 29 29 LYS H H 29 8.484 8.705 -0.221 1 1 300 . 7 1 1 A 29 29 LYS CA C 29 57.888 55.751 2.137 1 1 301 . 7 1 1 A 29 29 LYS HA H 29 4.170 4.488 -0.318 1 1 302 . 7 1 1 A 29 29 LYS CB C 29 32.564 31.040 1.524 1 1 310 . 7 1 1 A 29 29 LYS C C 29 177.124 177.396 -0.272 1 1 315 . 7 1 1 A 30 30 GLY N N 30 109.946 112.004 -2.058 1 1 316 . 7 1 1 A 30 30 GLY H H 30 8.546 8.333 0.213 1 1 317 . 7 1 1 A 30 30 GLY CA C 30 45.408 45.906 -0.498 1 1 318 . 7 1 1 A 30 30 GLY HA3 H 30 4.060 4.159 -0.099 1 1 319 . 7 1 1 A 30 30 GLY C C 30 173.961 173.548 0.413 1 1 320 . 7 1 1 A 30 30 GLY HA2 H 30 3.981 4.141 -0.160 1 1 321 . 7 1 1 A 31 31 GLU N N 31 118.290 118.265 0.025 1 1 322 . 7 1 1 A 31 31 GLU H H 31 8.088 8.058 0.030 1 1 323 . 7 1 1 A 31 31 GLU CA C 31 56.979 55.548 1.431 1 1 324 . 7 1 1 A 31 31 GLU HA H 31 4.418 4.788 -0.370 1 1 325 . 7 1 1 A 31 31 GLU CB C 31 31.108 30.859 0.249 1 1 329 . 7 1 1 A 31 31 GLU C C 31 176.184 175.207 0.977 1 1 332 . 7 1 1 A 32 32 ILE N N 32 121.780 124.057 -2.277 1 1 333 . 7 1 1 A 32 32 ILE H H 32 8.155 8.527 -0.372 1 1 334 . 7 1 1 A 32 32 ILE CA C 32 58.252 59.973 -1.721 1 1 335 . 7 1 1 A 32 32 ILE HA H 32 5.409 4.884 0.525 1 1 336 . 7 1 1 A 32 32 ILE CB C 32 39.008 41.658 -2.650 1 1 348 . 7 1 1 A 32 32 ILE C C 32 175.262 173.605 1.657 1 1 350 . 7 1 1 A 33 33 THR N N 33 117.063 116.163 0.900 1 1 351 . 7 1 1 A 33 33 THR H H 33 8.906 8.329 0.577 1 1 352 . 7 1 1 A 33 33 THR CA C 33 59.591 59.881 -0.290 1 1 353 . 7 1 1 A 33 33 THR HA H 33 4.707 5.270 -0.563 1 1 354 . 7 1 1 A 33 33 THR CB C 33 72.003 72.530 -0.527 1 1 360 . 7 1 1 A 33 33 THR C C 33 173.146 173.098 0.048 1 1 361 . 7 1 1 A 34 34 GLY N N 34 106.583 108.221 -1.638 1 1 362 . 7 1 1 A 34 34 GLY H H 34 8.603 8.490 0.113 1 1 363 . 7 1 1 A 34 34 GLY CA C 34 45.032 45.461 -0.429 1 1 364 . 7 1 1 A 34 34 GLY HA3 H 34 3.424 4.438 -1.014 1 1 365 . 7 1 1 A 34 34 GLY C C 34 172.260 172.234 0.026 1 1 366 . 7 1 1 A 34 34 GLY HA2 H 34 5.351 4.434 0.917 1 1 367 . 7 1 1 A 35 35 GLU N N 35 118.818 120.679 -1.861 1 1 368 . 7 1 1 A 35 35 GLU H H 35 8.756 8.716 0.040 1 1 369 . 7 1 1 A 35 35 GLU CA C 35 56.375 55.115 1.260 1 1 370 . 7 1 1 A 35 35 GLU HA H 35 4.739 5.107 -0.368 1 1 371 . 7 1 1 A 35 35 GLU CB C 35 34.673 33.884 0.789 1 1 375 . 7 1 1 A 35 35 GLU C C 35 173.645 174.492 -0.847 1 1 378 . 7 1 1 A 36 36 VAL N N 36 124.835 123.847 0.988 1 1 379 . 7 1 1 A 36 36 VAL H H 36 9.291 8.860 0.431 1 1 380 . 7 1 1 A 36 36 VAL CA C 36 60.780 61.528 -0.748 1 1 381 . 7 1 1 A 36 36 VAL HA H 36 4.751 4.698 0.053 1 1 382 . 7 1 1 A 36 36 VAL CB C 36 33.990 34.268 -0.278 1 1 392 . 7 1 1 A 36 36 VAL C C 36 174.137 174.528 -0.391 1 1 393 . 7 1 1 A 37 37 HIS N N 37 126.324 125.705 0.619 1 1 394 . 7 1 1 A 37 37 HIS H H 37 9.294 9.380 -0.086 1 1 395 . 7 1 1 A 37 37 HIS CA C 37 54.625 55.015 -0.390 1 1 396 . 7 1 1 A 37 37 HIS HA H 37 4.751 4.839 -0.088 1 1 397 . 7 1 1 A 37 37 HIS CB C 37 30.676 28.808 1.868 1 1 403 . 7 1 1 A 37 37 HIS C C 37 174.317 174.752 -0.435 1 1 405 . 7 1 1 A 38 38 MET N N 38 122.552 124.448 -1.896 1 1 406 . 7 1 1 A 38 38 MET H H 38 8.303 8.373 -0.070 1 1 407 . 7 1 1 A 38 38 MET CA C 38 54.086 55.147 -1.061 1 1 408 . 7 1 1 A 38 38 MET HA H 38 4.089 4.298 -0.209 1 1 409 . 7 1 1 A 38 38 MET CB C 38 32.900 32.253 0.647 1 1 417 . 7 1 1 A 38 38 MET C C 38 174.851 176.081 -1.230 1 1 420 . 7 1 1 A 39 39 PRO CA C 39 65.874 64.121 1.753 1 1 421 . 7 1 1 A 39 39 PRO HA H 39 4.156 4.344 -0.188 1 1 422 . 7 1 1 A 39 39 PRO CB C 39 31.312 31.804 -0.492 1 1 428 . 7 1 1 A 39 39 PRO C C 39 178.047 177.788 0.259 1 1 432 . 7 1 1 A 40 40 SER N N 40 111.214 111.810 -0.596 1 1 433 . 7 1 1 A 40 40 SER H H 40 8.759 7.725 1.034 1 1 434 . 7 1 1 A 40 40 SER CA C 40 59.667 58.651 1.016 1 1 435 . 7 1 1 A 40 40 SER HA H 40 4.089 4.453 -0.364 1 1 436 . 7 1 1 A 40 40 SER CB C 40 62.726 63.560 -0.834 1 1 438 . 7 1 1 A 40 40 SER C C 40 176.300 174.481 1.819 1 1 440 . 7 1 1 A 41 41 GLY N N 41 111.180 109.074 2.106 1 1 441 . 7 1 1 A 41 41 GLY H H 41 8.293 7.702 0.591 1 1 442 . 7 1 1 A 41 41 GLY CA C 41 44.624 45.063 -0.439 1 1 443 . 7 1 1 A 41 41 GLY HA3 H 41 3.620 4.027 -0.407 1 1 444 . 7 1 1 A 41 41 GLY C C 41 174.516 173.959 0.557 1 1 445 . 7 1 1 A 41 41 GLY HA2 H 41 4.447 4.027 0.420 1 1 446 . 7 1 1 A 42 42 LYS N N 42 120.452 119.457 0.995 1 1 447 . 7 1 1 A 42 42 LYS H H 42 7.038 7.803 -0.765 1 1 448 . 7 1 1 A 42 42 LYS CA C 42 56.944 54.762 2.182 1 1 449 . 7 1 1 A 42 42 LYS HA H 42 4.286 4.719 -0.433 1 1 450 . 7 1 1 A 42 42 LYS CB C 42 33.719 34.823 -1.104 1 1 457 . 7 1 1 A 42 42 LYS C C 42 175.050 175.077 -0.027 1 1 462 . 7 1 1 A 43 43 THR N N 43 111.705 111.409 0.296 1 1 463 . 7 1 1 A 43 43 THR H H 43 8.110 8.673 -0.563 1 1 464 . 7 1 1 A 43 43 THR CA C 43 59.653 60.374 -0.721 1 1 465 . 7 1 1 A 43 43 THR HA H 43 5.450 5.380 0.070 1 1 466 . 7 1 1 A 43 43 THR CB C 43 71.842 72.403 -0.561 1 1 472 . 7 1 1 A 43 43 THR C C 43 174.054 173.204 0.850 1 1 473 . 7 1 1 A 44 44 ALA N N 44 123.338 122.318 1.020 1 1 474 . 7 1 1 A 44 44 ALA H H 44 8.683 8.223 0.460 1 1 475 . 7 1 1 A 44 44 ALA CA C 44 50.752 51.657 -0.905 1 1 476 . 7 1 1 A 44 44 ALA HA H 44 4.798 4.831 -0.033 1 1 477 . 7 1 1 A 44 44 ALA CB C 44 24.091 22.901 1.190 1 1 481 . 7 1 1 A 44 44 ALA C C 44 175.947 175.828 0.119 1 1 482 . 7 1 1 A 45 45 THR N N 45 117.733 111.570 6.163 1 1 483 . 7 1 1 A 45 45 THR H H 45 8.934 8.510 0.424 1 1 484 . 7 1 1 A 45 45 THR CA C 45 59.517 59.165 0.352 1 1 485 . 7 1 1 A 45 45 THR HA H 45 4.894 4.833 0.061 1 1 486 . 7 1 1 A 45 45 THR CB C 45 70.403 69.773 0.630 1 1 492 . 7 1 1 A 45 45 THR C C 45 173.394 173.443 -0.049 1 1 493 . 7 1 1 A 46 46 PRO CA C 46 62.017 62.267 -0.250 1 1 494 . 7 1 1 A 46 46 PRO HA H 46 4.978 4.644 0.334 1 1 495 . 7 1 1 A 46 46 PRO CB C 46 32.885 33.065 -0.180 1 1 501 . 7 1 1 A 46 46 PRO C C 46 173.937 175.750 -1.813 1 1 505 . 7 1 1 A 47 47 GLU N N 47 120.450 120.648 -0.198 1 1 506 . 7 1 1 A 47 47 GLU H H 47 8.894 8.568 0.326 1 1 507 . 7 1 1 A 47 47 GLU CA C 47 56.040 55.200 0.840 1 1 508 . 7 1 1 A 47 47 GLU HA H 47 4.409 4.715 -0.306 1 1 509 . 7 1 1 A 47 47 GLU CB C 47 31.436 30.977 0.459 1 1 513 . 7 1 1 A 47 47 GLU C C 47 175.160 174.947 0.213 1 1 516 . 7 1 1 A 48 48 ILE N N 48 124.818 127.603 -2.785 1 1 517 . 7 1 1 A 48 48 ILE H H 48 8.467 8.790 -0.323 1 1 518 . 7 1 1 A 48 48 ILE CA C 48 60.408 60.151 0.257 1 1 519 . 7 1 1 A 48 48 ILE HA H 48 4.727 4.385 0.342 1 1 520 . 7 1 1 A 48 48 ILE CB C 48 38.177 36.214 1.963 1 1 532 . 7 1 1 A 48 48 ILE C C 48 175.681 174.618 1.063 1 1 534 . 7 1 1 A 49 49 VAL N N 49 129.411 127.823 1.588 1 1 535 . 7 1 1 A 49 49 VAL H H 49 9.417 8.577 0.840 1 1 536 . 7 1 1 A 49 49 VAL CA C 49 61.259 60.757 0.502 1 1 537 . 7 1 1 A 49 49 VAL HA H 49 4.188 4.674 -0.486 1 1 538 . 7 1 1 A 49 49 VAL CB C 49 34.719 35.101 -0.382 1 1 548 . 7 1 1 A 49 49 VAL C C 49 174.654 173.486 1.168 1 1 549 . 7 1 1 A 50 50 ASP N N 50 125.078 127.356 -2.278 1 1 550 . 7 1 1 A 50 50 ASP H H 50 8.664 8.831 -0.167 1 1 551 . 7 1 1 A 50 50 ASP CA C 50 53.899 52.528 1.371 1 1 552 . 7 1 1 A 50 50 ASP HA H 50 4.683 5.345 -0.662 1 1 553 . 7 1 1 A 50 50 ASP CB C 50 41.270 42.130 -0.860 1 1 555 . 7 1 1 A 50 50 ASP C C 50 176.440 175.668 0.772 1 1 557 . 7 1 1 A 51 51 ASN N N 51 123.926 125.606 -1.680 1 1 558 . 7 1 1 A 51 51 ASN H H 51 8.212 8.594 -0.382 1 1 559 . 7 1 1 A 51 51 ASN CA C 51 53.917 53.691 0.226 1 1 560 . 7 1 1 A 51 51 ASN HA H 51 4.703 4.617 0.086 1 1 561 . 7 1 1 A 51 51 ASN CB C 51 38.667 39.426 -0.759 1 1 566 . 7 1 1 A 51 51 ASN C C 51 176.260 175.864 0.396 1 1 568 . 7 1 1 A 52 52 LYS N N 52 115.640 120.902 -5.262 1 1 569 . 7 1 1 A 52 52 LYS H H 52 9.145 8.949 0.196 1 1 570 . 7 1 1 A 52 52 LYS CA C 52 58.127 56.422 1.705 1 1 571 . 7 1 1 A 52 52 LYS HA H 52 4.040 4.503 -0.463 1 1 572 . 7 1 1 A 52 52 LYS CB C 52 29.405 32.260 -2.855 1 1 580 . 7 1 1 A 52 52 LYS C C 52 175.471 176.550 -1.079 1 1 585 . 7 1 1 A 53 53 ASP N N 53 117.607 118.140 -0.533 1 1 586 . 7 1 1 A 53 53 ASP H H 53 7.824 7.790 0.034 1 1 587 . 7 1 1 A 53 53 ASP CA C 53 52.598 54.240 -1.642 1 1 588 . 7 1 1 A 53 53 ASP HA H 53 4.690 4.851 -0.161 1 1 589 . 7 1 1 A 53 53 ASP CB C 53 40.929 43.719 -2.790 1 1 591 . 7 1 1 A 53 53 ASP C C 53 177.173 176.466 0.707 1 1 593 . 7 1 1 A 54 54 GLY N N 54 108.692 105.912 2.780 1 1 594 . 7 1 1 A 54 54 GLY H H 54 8.548 8.014 0.534 1 1 595 . 7 1 1 A 54 54 GLY CA C 54 45.161 45.076 0.085 1 1 596 . 7 1 1 A 54 54 GLY HA3 H 54 3.653 4.028 -0.375 1 1 597 . 7 1 1 A 54 54 GLY C C 54 173.737 173.531 0.206 1 1 598 . 7 1 1 A 54 54 GLY HA2 H 54 4.372 4.026 0.346 1 1 599 . 7 1 1 A 55 55 THR N N 55 110.165 109.806 0.359 1 1 600 . 7 1 1 A 55 55 THR H H 55 7.929 7.506 0.423 1 1 601 . 7 1 1 A 55 55 THR CA C 55 60.412 59.961 0.451 1 1 602 . 7 1 1 A 55 55 THR HA H 55 5.100 4.927 0.173 1 1 603 . 7 1 1 A 55 55 THR CB C 55 73.027 72.740 0.287 1 1 609 . 7 1 1 A 55 55 THR C C 55 174.206 172.530 1.676 1 1 610 . 7 1 1 A 56 56 VAL N N 56 115.822 120.191 -4.369 1 1 611 . 7 1 1 A 56 56 VAL H H 56 8.581 8.498 0.083 1 1 612 . 7 1 1 A 56 56 VAL CA C 56 59.608 60.117 -0.509 1 1 613 . 7 1 1 A 56 56 VAL HA H 56 5.132 5.303 -0.171 1 1 614 . 7 1 1 A 56 56 VAL CB C 56 35.607 34.892 0.715 1 1 624 . 7 1 1 A 56 56 VAL C C 56 174.437 175.051 -0.614 1 1 625 . 7 1 1 A 57 57 THR N N 57 120.574 122.417 -1.843 1 1 626 . 7 1 1 A 57 57 THR H H 57 9.151 9.112 0.039 1 1 627 . 7 1 1 A 57 57 THR CA C 57 61.543 61.654 -0.111 1 1 628 . 7 1 1 A 57 57 THR HA H 57 5.021 5.115 -0.094 1 1 629 . 7 1 1 A 57 57 THR CB C 57 71.080 71.298 -0.218 1 1 635 . 7 1 1 A 57 57 THR C C 57 173.190 173.438 -0.248 1 1 636 . 7 1 1 A 58 58 VAL N N 58 127.832 127.861 -0.029 1 1 637 . 7 1 1 A 58 58 VAL H H 58 9.296 9.192 0.104 1 1 638 . 7 1 1 A 58 58 VAL CA C 58 61.204 62.721 -1.517 1 1 639 . 7 1 1 A 58 58 VAL HA H 58 4.774 4.425 0.349 1 1 640 . 7 1 1 A 58 58 VAL CB C 58 32.626 30.779 1.847 1 1 650 . 7 1 1 A 58 58 VAL C C 58 173.991 174.647 -0.656 1 1 651 . 7 1 1 A 59 59 ARG N N 59 126.761 128.753 -1.992 1 1 652 . 7 1 1 A 59 59 ARG H H 59 9.190 8.723 0.467 1 1 653 . 7 1 1 A 59 59 ARG CA C 59 54.384 54.858 -0.474 1 1 654 . 7 1 1 A 59 59 ARG HA H 59 5.488 5.252 0.236 1 1 655 . 7 1 1 A 59 59 ARG CB C 59 34.262 31.892 2.370 1 1 661 . 7 1 1 A 59 59 ARG C C 59 174.849 174.916 -0.067 1 1 665 . 7 1 1 A 60 60 TYR N N 60 123.838 127.282 -3.444 1 1 666 . 7 1 1 A 60 60 TYR H H 60 9.164 8.877 0.287 1 1 667 . 7 1 1 A 60 60 TYR CA C 60 56.684 57.030 -0.346 1 1 668 . 7 1 1 A 60 60 TYR HA H 60 5.024 5.321 -0.297 1 1 669 . 7 1 1 A 60 60 TYR CB C 60 42.761 42.233 0.528 1 1 675 . 7 1 1 A 60 60 TYR C C 60 171.861 173.475 -1.614 1 1 677 . 7 1 1 A 61 61 ALA N N 61 134.382 129.792 4.590 1 1 678 . 7 1 1 A 61 61 ALA H H 61 8.023 8.472 -0.449 1 1 679 . 7 1 1 A 61 61 ALA CA C 61 47.869 48.377 -0.508 1 1 680 . 7 1 1 A 61 61 ALA HA H 61 4.670 4.530 0.140 1 1 681 . 7 1 1 A 61 61 ALA CB C 61 18.685 20.298 -1.613 1 1 685 . 7 1 1 A 61 61 ALA C C 61 172.714 175.338 -2.624 1 1 686 . 7 1 1 A 62 62 PRO CA C 62 62.455 62.302 0.153 1 1 687 . 7 1 1 A 62 62 PRO HA H 62 4.137 4.157 -0.020 1 1 688 . 7 1 1 A 62 62 PRO CB C 62 33.972 31.549 2.423 1 1 694 . 7 1 1 A 62 62 PRO C C 62 175.567 176.768 -1.201 1 1 698 . 7 1 1 A 63 63 THR N N 63 106.145 114.500 -8.355 1 1 699 . 7 1 1 A 63 63 THR H H 63 8.819 8.495 0.324 1 1 700 . 7 1 1 A 63 63 THR CA C 63 60.795 61.219 -0.424 1 1 701 . 7 1 1 A 63 63 THR HA H 63 4.278 4.681 -0.403 1 1 702 . 7 1 1 A 63 63 THR CB C 63 70.379 69.006 1.373 1 1 708 . 7 1 1 A 63 63 THR C C 63 173.771 173.442 0.329 1 1 709 . 7 1 1 A 64 64 GLU N N 64 119.851 118.799 1.052 1 1 710 . 7 1 1 A 64 64 GLU H H 64 7.217 7.122 0.095 1 1 711 . 7 1 1 A 64 64 GLU CA C 64 54.483 54.514 -0.031 1 1 712 . 7 1 1 A 64 64 GLU HA H 64 4.560 4.796 -0.236 1 1 713 . 7 1 1 A 64 64 GLU CB C 64 33.675 34.420 -0.745 1 1 717 . 7 1 1 A 64 64 GLU C C 64 173.177 174.720 -1.543 1 1 720 . 7 1 1 A 65 65 VAL N N 65 114.914 117.928 -3.014 1 1 721 . 7 1 1 A 65 65 VAL H H 65 7.740 8.544 -0.804 1 1 722 . 7 1 1 A 65 65 VAL CA C 65 61.412 60.001 1.411 1 1 723 . 7 1 1 A 65 65 VAL HA H 65 3.730 4.564 -0.834 1 1 724 . 7 1 1 A 65 65 VAL CB C 65 33.477 34.633 -1.156 1 1 734 . 7 1 1 A 65 65 VAL C C 65 176.588 174.460 2.128 1 1 735 . 7 1 1 A 66 66 GLY N N 66 108.948 108.519 0.429 1 1 736 . 7 1 1 A 66 66 GLY H H 66 8.821 7.920 0.901 1 1 737 . 7 1 1 A 66 66 GLY CA C 66 43.304 43.688 -0.384 1 1 738 . 7 1 1 A 66 66 GLY HA3 H 66 4.468 4.000 0.468 1 1 739 . 7 1 1 A 66 66 GLY C C 66 175.811 172.096 3.715 1 1 740 . 7 1 1 A 66 66 GLY HA2 H 66 3.184 3.987 -0.803 1 1 741 . 7 1 1 A 67 67 LEU N N 67 126.594 122.621 3.973 1 1 742 . 7 1 1 A 67 67 LEU H H 67 9.023 8.405 0.618 1 1 743 . 7 1 1 A 67 67 LEU CA C 67 56.432 53.315 3.117 1 1 744 . 7 1 1 A 67 67 LEU HA H 67 4.137 5.105 -0.968 1 1 745 . 7 1 1 A 67 67 LEU CB C 67 41.933 44.558 -2.625 1 1 757 . 7 1 1 A 67 67 LEU C C 67 174.817 174.680 0.137 1 1 759 . 7 1 1 A 68 68 HIS N N 68 127.130 126.245 0.885 1 1 760 . 7 1 1 A 68 68 HIS H H 68 9.165 8.590 0.575 1 1 761 . 7 1 1 A 68 68 HIS CA C 68 54.518 54.651 -0.133 1 1 762 . 7 1 1 A 68 68 HIS HA H 68 4.562 4.790 -0.228 1 1 763 . 7 1 1 A 68 68 HIS CB C 68 32.159 30.823 1.336 1 1 769 . 7 1 1 A 68 68 HIS C C 68 173.717 173.658 0.059 1 1 771 . 7 1 1 A 69 69 GLU N N 69 116.428 124.199 -7.771 1 1 772 . 7 1 1 A 69 69 GLU H H 69 8.096 8.706 -0.610 1 1 773 . 7 1 1 A 69 69 GLU CA C 69 54.625 54.940 -0.315 1 1 774 . 7 1 1 A 69 69 GLU HA H 69 5.274 5.085 0.189 1 1 775 . 7 1 1 A 69 69 GLU CB C 69 34.361 32.510 1.851 1 1 779 . 7 1 1 A 69 69 GLU C C 69 174.811 174.718 0.093 1 1 782 . 7 1 1 A 70 70 MET N N 70 126.104 127.709 -1.605 1 1 783 . 7 1 1 A 70 70 MET H H 70 9.874 9.469 0.405 1 1 784 . 7 1 1 A 70 70 MET CA C 70 54.399 54.360 0.039 1 1 785 . 7 1 1 A 70 70 MET HA H 70 5.272 5.317 -0.045 1 1 786 . 7 1 1 A 70 70 MET CB C 70 36.158 34.911 1.247 1 1 794 . 7 1 1 A 70 70 MET C C 70 173.699 175.309 -1.610 1 1 797 . 7 1 1 A 71 71 HIS N N 71 129.007 123.134 5.873 1 1 798 . 7 1 1 A 71 71 HIS H H 71 9.533 9.493 0.040 1 1 799 . 7 1 1 A 71 71 HIS CA C 71 54.201 54.490 -0.289 1 1 800 . 7 1 1 A 71 71 HIS HA H 71 5.273 5.193 0.080 1 1 801 . 7 1 1 A 71 71 HIS CB C 71 33.546 31.747 1.799 1 1 807 . 7 1 1 A 71 71 HIS C C 71 174.997 174.036 0.961 1 1 809 . 7 1 1 A 72 72 ILE N N 72 126.123 123.996 2.127 1 1 810 . 7 1 1 A 72 72 ILE H H 72 9.842 8.999 0.843 1 1 811 . 7 1 1 A 72 72 ILE CA C 72 60.037 59.658 0.379 1 1 812 . 7 1 1 A 72 72 ILE HA H 72 4.885 4.930 -0.045 1 1 813 . 7 1 1 A 72 72 ILE CB C 72 40.102 40.885 -0.783 1 1 825 . 7 1 1 A 72 72 ILE C C 72 173.955 174.976 -1.021 1 1 827 . 7 1 1 A 73 73 LYS N N 73 124.414 124.166 0.248 1 1 828 . 7 1 1 A 73 73 LYS H H 73 8.854 8.439 0.415 1 1 829 . 7 1 1 A 73 73 LYS CA C 73 54.200 54.788 -0.588 1 1 830 . 7 1 1 A 73 73 LYS HA H 73 4.964 4.958 0.006 1 1 831 . 7 1 1 A 73 73 LYS CB C 73 36.335 35.880 0.455 1 1 839 . 7 1 1 A 73 73 LYS C C 73 174.360 174.218 0.142 1 1 844 . 7 1 1 A 74 74 TYR N N 74 121.190 125.776 -4.586 1 1 845 . 7 1 1 A 74 74 TYR H H 74 8.979 9.292 -0.313 1 1 846 . 7 1 1 A 74 74 TYR CA C 74 55.271 57.364 -2.093 1 1 847 . 7 1 1 A 74 74 TYR HA H 74 5.365 4.908 0.457 1 1 848 . 7 1 1 A 74 74 TYR CB C 74 41.143 40.353 0.790 1 1 858 . 7 1 1 A 74 74 TYR C C 74 175.646 174.977 0.669 1 1 860 . 7 1 1 A 75 75 MET N N 75 125.219 127.437 -2.218 1 1 861 . 7 1 1 A 75 75 MET H H 75 9.096 9.197 -0.101 1 1 862 . 7 1 1 A 75 75 MET CA C 75 56.166 56.565 -0.399 1 1 863 . 7 1 1 A 75 75 MET HA H 75 3.920 4.130 -0.210 1 1 864 . 7 1 1 A 75 75 MET CB C 75 29.423 31.165 -1.742 1 1 872 . 7 1 1 A 75 75 MET C C 75 176.809 176.319 0.490 1 1 875 . 7 1 1 A 76 76 GLY N N 76 102.874 104.566 -1.692 1 1 876 . 7 1 1 A 76 76 GLY H H 76 8.573 8.616 -0.043 1 1 877 . 7 1 1 A 76 76 GLY CA C 76 45.421 45.622 -0.201 1 1 878 . 7 1 1 A 76 76 GLY HA3 H 76 4.221 3.802 0.419 1 1 879 . 7 1 1 A 76 76 GLY C C 76 174.014 173.590 0.424 1 1 880 . 7 1 1 A 76 76 GLY HA2 H 76 3.471 3.789 -0.318 1 1 881 . 7 1 1 A 77 77 SER N N 77 115.868 112.806 3.062 1 1 882 . 7 1 1 A 77 77 SER H H 77 7.609 7.603 0.006 1 1 883 . 7 1 1 A 77 77 SER CA C 77 56.956 56.927 0.029 1 1 884 . 7 1 1 A 77 77 SER HA H 77 4.935 4.965 -0.030 1 1 885 . 7 1 1 A 77 77 SER CB C 77 65.336 65.100 0.236 1 1 887 . 7 1 1 A 77 77 SER C C 77 173.677 173.020 0.657 1 1 889 . 7 1 1 A 78 78 HIS N N 78 124.606 124.007 0.599 1 1 890 . 7 1 1 A 78 78 HIS H H 78 8.751 8.863 -0.112 1 1 891 . 7 1 1 A 78 78 HIS CA C 78 59.005 57.355 1.650 1 1 892 . 7 1 1 A 78 78 HIS HA H 78 4.617 4.772 -0.155 1 1 893 . 7 1 1 A 78 78 HIS CB C 78 32.066 30.677 1.389 1 1 899 . 7 1 1 A 78 78 HIS C C 78 178.429 175.776 2.653 1 1 901 . 7 1 1 A 79 79 ILE N N 79 117.547 119.779 -2.232 1 1 902 . 7 1 1 A 79 79 ILE H H 79 8.102 8.626 -0.524 1 1 903 . 7 1 1 A 79 79 ILE CA C 79 61.442 58.958 2.484 1 1 904 . 7 1 1 A 79 79 ILE HA H 79 4.737 4.538 0.199 1 1 905 . 7 1 1 A 79 79 ILE CB C 79 35.644 38.205 -2.561 1 1 917 . 7 1 1 A 79 79 ILE C C 79 174.657 175.999 -1.342 1 1 919 . 7 1 1 A 80 80 PRO CA C 80 66.398 64.331 2.067 1 1 920 . 7 1 1 A 80 80 PRO HA H 80 4.296 4.508 -0.212 1 1 921 . 7 1 1 A 80 80 PRO CB C 80 31.380 31.642 -0.262 1 1 927 . 7 1 1 A 80 80 PRO C C 80 177.763 177.671 0.092 1 1 931 . 7 1 1 A 81 81 GLU N N 81 114.279 117.236 -2.957 1 1 932 . 7 1 1 A 81 81 GLU H H 81 8.913 8.389 0.524 1 1 933 . 7 1 1 A 81 81 GLU CA C 81 58.285 57.831 0.454 1 1 934 . 7 1 1 A 81 81 GLU HA H 81 4.043 4.454 -0.411 1 1 935 . 7 1 1 A 81 81 GLU CB C 81 29.010 30.789 -1.779 1 1 939 . 7 1 1 A 81 81 GLU C C 81 174.743 175.686 -0.943 1 1 942 . 7 1 1 A 82 82 SER N N 82 112.700 114.772 -2.072 1 1 943 . 7 1 1 A 82 82 SER H H 82 7.918 7.515 0.403 1 1 944 . 7 1 1 A 82 82 SER CA C 82 54.519 55.751 -1.232 1 1 945 . 7 1 1 A 82 82 SER HA H 82 4.798 4.904 -0.106 1 1 946 . 7 1 1 A 82 82 SER CB C 82 64.077 65.815 -1.738 1 1 948 . 7 1 1 A 82 82 SER C C 82 173.394 171.633 1.761 1 1 950 . 7 1 1 A 83 83 PRO CA C 83 62.597 62.715 -0.118 1 1 951 . 7 1 1 A 83 83 PRO HA H 83 5.247 4.661 0.586 1 1 952 . 7 1 1 A 83 83 PRO CB C 83 34.681 32.328 2.353 1 1 958 . 7 1 1 A 83 83 PRO C C 83 175.783 176.358 -0.575 1 1 962 . 7 1 1 A 84 84 LEU N N 84 123.427 117.061 6.366 1 1 963 . 7 1 1 A 84 84 LEU H H 84 9.099 8.235 0.864 1 1 964 . 7 1 1 A 84 84 LEU CA C 84 54.413 52.310 2.103 1 1 965 . 7 1 1 A 84 84 LEU HA H 84 4.893 5.344 -0.451 1 1 966 . 7 1 1 A 84 84 LEU CB C 84 44.452 46.271 -1.819 1 1 978 . 7 1 1 A 84 84 LEU C C 84 176.054 175.406 0.648 1 1 980 . 7 1 1 A 85 85 GLN N N 85 122.438 118.049 4.389 1 1 981 . 7 1 1 A 85 85 GLN H H 85 8.869 8.966 -0.097 1 1 982 . 7 1 1 A 85 85 GLN CA C 85 54.811 54.040 0.771 1 1 983 . 7 1 1 A 85 85 GLN HA H 85 5.359 5.273 0.086 1 1 984 . 7 1 1 A 85 85 GLN CB C 85 30.972 32.521 -1.549 1 1 991 . 7 1 1 A 85 85 GLN C C 85 175.687 174.708 0.979 1 1 994 . 7 1 1 A 86 86 PHE N N 86 118.108 117.253 0.855 1 1 995 . 7 1 1 A 86 86 PHE H H 86 8.483 8.577 -0.094 1 1 996 . 7 1 1 A 86 86 PHE CA C 86 56.104 55.618 0.486 1 1 997 . 7 1 1 A 86 86 PHE HA H 86 4.917 5.540 -0.623 1 1 998 . 7 1 1 A 86 86 PHE CB C 86 40.732 42.117 -1.385 1 1 1010 . 7 1 1 A 86 86 PHE C C 86 171.607 172.831 -1.224 1 1 1012 . 7 1 1 A 87 87 TYR N N 87 124.521 125.472 -0.951 1 1 1013 . 7 1 1 A 87 87 TYR H H 87 9.179 9.188 -0.009 1 1 1014 . 7 1 1 A 87 87 TYR CA C 87 57.832 59.048 -1.216 1 1 1015 . 7 1 1 A 87 87 TYR HA H 87 4.643 5.038 -0.395 1 1 1016 . 7 1 1 A 87 87 TYR CB C 87 40.731 39.744 0.987 1 1 1026 . 7 1 1 A 87 87 TYR C C 87 175.145 174.378 0.767 1 1 1028 . 7 1 1 A 88 88 VAL N N 88 129.828 127.251 2.577 1 1 1029 . 7 1 1 A 88 88 VAL H H 88 7.865 8.359 -0.494 1 1 1030 . 7 1 1 A 88 88 VAL CA C 88 61.875 61.452 0.423 1 1 1031 . 7 1 1 A 88 88 VAL HA H 88 4.219 4.571 -0.352 1 1 1032 . 7 1 1 A 88 88 VAL CB C 88 32.943 32.432 0.511 1 1 1042 . 7 1 1 A 88 88 VAL C C 88 174.472 175.235 -0.763 1 1 1043 . 7 1 1 A 89 89 ASN N N 89 124.798 126.296 -1.498 1 1 1044 . 7 1 1 A 89 89 ASN H H 89 8.649 8.816 -0.167 1 1 1045 . 7 1 1 A 89 89 ASN CA C 89 52.062 53.343 -1.281 1 1 1046 . 7 1 1 A 89 89 ASN HA H 89 5.024 4.851 0.173 1 1 1047 . 7 1 1 A 89 89 ASN CB C 89 41.470 39.293 2.177 1 1 1052 . 7 1 1 A 89 89 ASN C C 89 175.232 174.877 0.355 1 1 1054 . 7 1 1 A 90 90 TYR N N 90 119.662 123.291 -3.629 1 1 1055 . 7 1 1 A 90 90 TYR H H 90 8.559 8.816 -0.257 1 1 1056 . 7 1 1 A 90 90 TYR CA C 90 58.020 57.156 0.864 1 1 1057 . 7 1 1 A 90 90 TYR HA H 90 4.485 4.706 -0.221 1 1 1058 . 7 1 1 A 90 90 TYR CB C 90 37.880 39.922 -2.042 1 1 1068 . 7 1 1 A 90 90 TYR C C 90 174.972 174.474 0.498 1 1 1070 . 7 1 1 A 91 91 PRO CA C 91 63.396 62.240 1.156 1 1 1071 . 7 1 1 A 91 91 PRO HA H 91 4.337 4.575 -0.238 1 1 1072 . 7 1 1 A 91 91 PRO CB C 91 32.028 32.889 -0.861 1 1 1081 . 7 1 1 A 92 92 ASN N N 92 118.175 117.731 0.444 1 1 1082 . 7 1 1 A 92 92 ASN H H 92 8.429 8.601 -0.172 1 1 1083 . 7 1 1 A 92 92 ASN CA C 92 53.343 51.815 1.528 1 1 1084 . 7 1 1 A 92 92 ASN HA H 92 4.691 5.187 -0.496 1 1 1085 . 7 1 1 A 92 92 ASN CB C 92 39.000 42.414 -3.414 1 1 1091 . 7 1 1 A 93 93 SER N N 93 115.984 119.181 -3.197 1 1 1092 . 7 1 1 A 93 93 SER H H 93 8.344 8.939 -0.595 1 1 1093 . 7 1 1 A 93 93 SER CA C 93 58.618 58.080 0.538 1 1 1094 . 7 1 1 A 93 93 SER HA H 93 4.474 5.049 -0.575 1 1 1095 . 7 1 1 A 93 93 SER CB C 93 63.894 64.142 -0.248 1 1 1098 . 7 1 1 A 94 94 GLY N N 94 111.442 110.519 0.923 1 1 1099 . 7 1 1 A 94 94 GLY H H 94 8.499 8.476 0.023 1 1 1100 . 7 1 1 A 94 94 GLY CA C 94 45.417 44.473 0.944 1 1 1101 . 7 1 1 A 94 94 GLY HA3 H 94 4.016 4.165 -0.149 1 1 1102 . 7 1 1 A 94 94 GLY C C 94 173.391 171.545 1.846 1 1 1103 . 7 1 1 A 94 94 GLY HA2 H 94 4.016 4.161 -0.145 1 1 1 . 8 1 1 A 2 2 SER CA C 2 58.268 58.568 -0.300 1 1 2 . 8 1 1 A 2 2 SER CB C 2 63.729 63.679 0.050 1 1 3 . 8 1 1 A 2 2 SER C C 2 174.818 174.212 0.606 1 1 4 . 8 1 1 A 3 3 SER CA C 3 58.693 60.318 -1.625 1 1 5 . 8 1 1 A 3 3 SER CB C 3 63.906 63.223 0.683 1 1 6 . 8 1 1 A 3 3 SER C C 3 174.981 175.328 -0.347 1 1 7 . 8 1 1 A 5 5 SER C C 5 178.688 174.015 4.673 1 1 8 . 8 1 1 A 6 6 SER CA C 6 58.453 59.333 -0.880 1 1 9 . 8 1 1 A 6 6 SER HA H 6 4.502 4.334 0.168 1 1 10 . 8 1 1 A 6 6 SER CB C 6 63.956 64.191 -0.235 1 1 13 . 8 1 1 A 7 7 GLY N N 7 110.931 110.711 0.220 1 1 14 . 8 1 1 A 7 7 GLY H H 7 8.436 8.108 0.328 1 1 15 . 8 1 1 A 7 7 GLY CA C 7 45.357 47.136 -1.779 1 1 16 . 8 1 1 A 7 7 GLY HA3 H 7 3.979 3.886 0.093 1 1 17 . 8 1 1 A 7 7 GLY C C 7 174.128 174.743 -0.615 1 1 18 . 8 1 1 A 7 7 GLY HA2 H 7 3.979 3.885 0.094 1 1 19 . 8 1 1 A 8 8 VAL N N 8 119.070 117.538 1.532 1 1 20 . 8 1 1 A 8 8 VAL H H 8 8.006 7.806 0.200 1 1 21 . 8 1 1 A 8 8 VAL CA C 8 62.332 61.634 0.698 1 1 22 . 8 1 1 A 8 8 VAL HA H 8 4.180 4.201 -0.021 1 1 23 . 8 1 1 A 8 8 VAL CB C 8 32.819 32.947 -0.128 1 1 33 . 8 1 1 A 8 8 VAL C C 8 176.359 175.133 1.226 1 1 34 . 8 1 1 A 9 9 SER N N 9 119.223 120.024 -0.801 1 1 35 . 8 1 1 A 9 9 SER H H 9 8.418 8.741 -0.323 1 1 36 . 8 1 1 A 9 9 SER CA C 9 58.392 57.082 1.310 1 1 37 . 8 1 1 A 9 9 SER HA H 9 4.469 5.196 -0.727 1 1 38 . 8 1 1 A 9 9 SER CB C 9 63.948 65.153 -1.205 1 1 40 . 8 1 1 A 9 9 SER C C 9 174.256 172.297 1.959 1 1 42 . 8 1 1 A 10 10 ASP N N 10 122.453 125.240 -2.787 1 1 43 . 8 1 1 A 10 10 ASP H H 10 8.311 8.868 -0.557 1 1 44 . 8 1 1 A 10 10 ASP CA C 10 54.450 53.241 1.209 1 1 45 . 8 1 1 A 10 10 ASP HA H 10 4.592 5.119 -0.527 1 1 46 . 8 1 1 A 10 10 ASP CB C 10 41.174 45.166 -3.992 1 1 48 . 8 1 1 A 10 10 ASP C C 10 176.480 174.328 2.152 1 1 50 . 8 1 1 A 11 11 MET N N 11 120.428 120.343 0.085 1 1 51 . 8 1 1 A 11 11 MET H H 11 8.340 8.582 -0.242 1 1 52 . 8 1 1 A 11 11 MET CA C 11 55.757 54.471 1.286 1 1 53 . 8 1 1 A 11 11 MET HA H 11 4.418 4.988 -0.570 1 1 54 . 8 1 1 A 11 11 MET CB C 11 32.457 36.877 -4.420 1 1 62 . 8 1 1 A 11 11 MET C C 11 176.391 175.481 0.910 1 1 65 . 8 1 1 A 12 12 ASN N N 12 118.914 121.079 -2.165 1 1 66 . 8 1 1 A 12 12 ASN H H 12 8.416 9.098 -0.682 1 1 67 . 8 1 1 A 12 12 ASN CA C 12 53.687 54.454 -0.767 1 1 68 . 8 1 1 A 12 12 ASN HA H 12 4.660 4.834 -0.174 1 1 69 . 8 1 1 A 12 12 ASN CB C 12 38.924 40.744 -1.820 1 1 74 . 8 1 1 A 12 12 ASN C C 12 175.770 175.411 0.359 1 1 76 . 8 1 1 A 13 13 GLY N N 13 108.888 107.048 1.840 1 1 77 . 8 1 1 A 13 13 GLY H H 13 8.317 7.879 0.438 1 1 78 . 8 1 1 A 13 13 GLY CA C 13 45.658 45.386 0.272 1 1 79 . 8 1 1 A 13 13 GLY HA3 H 13 3.920 3.976 -0.056 1 1 80 . 8 1 1 A 13 13 GLY C C 13 174.275 173.535 0.740 1 1 81 . 8 1 1 A 13 13 GLY HA2 H 13 3.920 3.972 -0.052 1 1 82 . 8 1 1 A 14 14 LEU N N 14 120.990 121.367 -0.377 1 1 83 . 8 1 1 A 14 14 LEU H H 14 8.015 7.924 0.091 1 1 84 . 8 1 1 A 14 14 LEU CA C 14 55.074 53.909 1.165 1 1 85 . 8 1 1 A 14 14 LEU HA H 14 4.283 4.612 -0.329 1 1 86 . 8 1 1 A 14 14 LEU CB C 14 42.572 44.618 -2.046 1 1 98 . 8 1 1 A 14 14 LEU C C 14 177.365 175.730 1.635 1 1 100 . 8 1 1 A 15 15 GLY N N 15 107.853 110.929 -3.076 1 1 101 . 8 1 1 A 15 15 GLY H H 15 8.198 8.181 0.017 1 1 102 . 8 1 1 A 15 15 GLY CA C 15 44.968 45.660 -0.692 1 1 103 . 8 1 1 A 15 15 GLY HA3 H 15 3.823 4.031 -0.208 1 1 104 . 8 1 1 A 15 15 GLY C C 15 173.829 171.833 1.996 1 1 105 . 8 1 1 A 15 15 GLY HA2 H 15 3.783 3.883 -0.100 1 1 106 . 8 1 1 A 16 16 PHE N N 16 118.501 123.122 -4.621 1 1 107 . 8 1 1 A 16 16 PHE H H 16 7.868 8.225 -0.357 1 1 108 . 8 1 1 A 16 16 PHE CA C 16 57.837 59.175 -1.338 1 1 109 . 8 1 1 A 16 16 PHE HA H 16 4.442 4.356 0.086 1 1 110 . 8 1 1 A 16 16 PHE CB C 16 40.278 39.697 0.581 1 1 122 . 8 1 1 A 16 16 PHE C C 16 176.569 175.506 1.063 1 1 124 . 8 1 1 A 17 17 LYS N N 17 126.087 123.383 2.704 1 1 125 . 8 1 1 A 17 17 LYS H H 17 8.611 8.533 0.078 1 1 126 . 8 1 1 A 17 17 LYS CA C 17 54.271 54.748 -0.477 1 1 127 . 8 1 1 A 17 17 LYS HA H 17 4.573 4.543 0.030 1 1 128 . 8 1 1 A 17 17 LYS CB C 17 32.818 31.929 0.889 1 1 136 . 8 1 1 A 17 17 LYS C C 17 174.147 174.762 -0.615 1 1 141 . 8 1 1 A 18 18 PRO CA C 18 62.850 62.518 0.332 1 1 142 . 8 1 1 A 18 18 PRO HA H 18 4.647 4.674 -0.027 1 1 143 . 8 1 1 A 18 18 PRO CB C 18 31.990 32.722 -0.732 1 1 149 . 8 1 1 A 18 18 PRO C C 18 176.220 175.652 0.568 1 1 153 . 8 1 1 A 19 19 PHE N N 19 123.581 123.456 0.125 1 1 154 . 8 1 1 A 19 19 PHE H H 19 8.905 8.340 0.565 1 1 155 . 8 1 1 A 19 19 PHE CA C 19 57.402 56.556 0.846 1 1 156 . 8 1 1 A 19 19 PHE HA H 19 4.502 5.001 -0.499 1 1 157 . 8 1 1 A 19 19 PHE CB C 19 41.432 40.470 0.962 1 1 169 . 8 1 1 A 19 19 PHE C C 19 173.078 173.663 -0.585 1 1 171 . 8 1 1 A 20 20 ASP N N 20 126.229 125.413 0.816 1 1 172 . 8 1 1 A 20 20 ASP H H 20 7.412 8.895 -1.483 1 1 173 . 8 1 1 A 20 20 ASP CA C 20 52.686 52.694 -0.008 1 1 174 . 8 1 1 A 20 20 ASP HA H 20 5.248 4.964 0.284 1 1 175 . 8 1 1 A 20 20 ASP CB C 20 44.081 42.164 1.917 1 1 177 . 8 1 1 A 20 20 ASP C C 20 174.098 174.780 -0.682 1 1 179 . 8 1 1 A 21 21 LEU N N 21 123.421 122.941 0.480 1 1 180 . 8 1 1 A 21 21 LEU H H 21 8.641 8.283 0.358 1 1 181 . 8 1 1 A 21 21 LEU CA C 21 54.201 53.480 0.721 1 1 182 . 8 1 1 A 21 21 LEU HA H 21 4.367 4.935 -0.568 1 1 183 . 8 1 1 A 21 21 LEU CB C 21 46.118 46.320 -0.202 1 1 195 . 8 1 1 A 21 21 LEU C C 21 174.294 173.929 0.365 1 1 197 . 8 1 1 A 22 22 VAL N N 22 127.339 122.305 5.034 1 1 198 . 8 1 1 A 22 22 VAL H H 22 8.451 8.970 -0.519 1 1 199 . 8 1 1 A 22 22 VAL CA C 22 61.986 60.107 1.879 1 1 200 . 8 1 1 A 22 22 VAL HA H 22 4.572 4.805 -0.233 1 1 201 . 8 1 1 A 22 22 VAL CB C 22 32.276 34.484 -2.208 1 1 211 . 8 1 1 A 22 22 VAL C C 22 176.066 175.060 1.006 1 1 212 . 8 1 1 A 23 23 ILE N N 23 128.645 129.794 -1.149 1 1 213 . 8 1 1 A 23 23 ILE H H 23 8.998 8.006 0.992 1 1 214 . 8 1 1 A 23 23 ILE CA C 23 57.193 60.589 -3.396 1 1 215 . 8 1 1 A 23 23 ILE HA H 23 4.489 4.087 0.402 1 1 216 . 8 1 1 A 23 23 ILE CB C 23 38.455 37.760 0.695 1 1 228 . 8 1 1 A 23 23 ILE C C 23 175.434 176.543 -1.109 1 1 230 . 8 1 1 A 24 24 PRO CA C 24 63.319 65.570 -2.251 1 1 231 . 8 1 1 A 24 24 PRO HA H 24 4.600 4.355 0.245 1 1 232 . 8 1 1 A 24 24 PRO CB C 24 30.324 31.986 -1.662 1 1 238 . 8 1 1 A 24 24 PRO C C 24 174.946 176.761 -1.815 1 1 242 . 8 1 1 A 25 25 PHE N N 25 121.530 115.103 6.427 1 1 243 . 8 1 1 A 25 25 PHE H H 25 7.582 7.940 -0.358 1 1 244 . 8 1 1 A 25 25 PHE CA C 25 56.635 55.985 0.650 1 1 245 . 8 1 1 A 25 25 PHE HA H 25 4.552 4.575 -0.023 1 1 246 . 8 1 1 A 25 25 PHE CB C 25 40.977 40.818 0.159 1 1 258 . 8 1 1 A 25 25 PHE C C 25 172.831 174.630 -1.799 1 1 260 . 8 1 1 A 26 26 ALA N N 26 124.526 121.858 2.668 1 1 261 . 8 1 1 A 26 26 ALA H H 26 7.993 8.686 -0.693 1 1 262 . 8 1 1 A 26 26 ALA CA C 26 52.074 49.948 2.126 1 1 263 . 8 1 1 A 26 26 ALA HA H 26 4.221 4.945 -0.724 1 1 264 . 8 1 1 A 26 26 ALA CB C 26 18.862 21.620 -2.758 1 1 268 . 8 1 1 A 26 26 ALA C C 26 176.973 175.702 1.271 1 1 269 . 8 1 1 A 27 27 VAL N N 27 118.422 118.719 -0.297 1 1 270 . 8 1 1 A 27 27 VAL H H 27 8.046 8.333 -0.287 1 1 271 . 8 1 1 A 27 27 VAL CA C 27 61.375 59.467 1.908 1 1 272 . 8 1 1 A 27 27 VAL HA H 27 4.248 4.496 -0.248 1 1 273 . 8 1 1 A 27 27 VAL CB C 27 34.179 35.179 -1.000 1 1 283 . 8 1 1 A 27 27 VAL C C 27 175.445 173.552 1.893 1 1 284 . 8 1 1 A 28 28 ARG N N 28 122.785 125.234 -2.449 1 1 285 . 8 1 1 A 28 28 ARG H H 28 8.275 8.239 0.036 1 1 286 . 8 1 1 A 28 28 ARG CA C 28 55.407 54.232 1.175 1 1 287 . 8 1 1 A 28 28 ARG HA H 28 4.473 4.722 -0.249 1 1 288 . 8 1 1 A 28 28 ARG CB C 28 31.087 32.493 -1.406 1 1 294 . 8 1 1 A 28 28 ARG C C 28 176.528 174.416 2.112 1 1 298 . 8 1 1 A 29 29 LYS N N 29 121.704 123.210 -1.506 1 1 299 . 8 1 1 A 29 29 LYS H H 29 8.484 8.553 -0.069 1 1 300 . 8 1 1 A 29 29 LYS CA C 29 57.888 55.662 2.226 1 1 301 . 8 1 1 A 29 29 LYS HA H 29 4.170 4.551 -0.381 1 1 302 . 8 1 1 A 29 29 LYS CB C 29 32.564 32.969 -0.405 1 1 310 . 8 1 1 A 29 29 LYS C C 29 177.124 175.959 1.165 1 1 315 . 8 1 1 A 30 30 GLY N N 30 109.946 112.665 -2.719 1 1 316 . 8 1 1 A 30 30 GLY H H 30 8.546 8.426 0.120 1 1 317 . 8 1 1 A 30 30 GLY CA C 30 45.408 46.278 -0.870 1 1 318 . 8 1 1 A 30 30 GLY HA3 H 30 4.060 4.181 -0.121 1 1 319 . 8 1 1 A 30 30 GLY C C 30 173.961 174.113 -0.152 1 1 320 . 8 1 1 A 30 30 GLY HA2 H 30 3.981 4.166 -0.185 1 1 321 . 8 1 1 A 31 31 GLU N N 31 118.290 122.688 -4.398 1 1 322 . 8 1 1 A 31 31 GLU H H 31 8.088 8.603 -0.515 1 1 323 . 8 1 1 A 31 31 GLU CA C 31 56.979 56.529 0.450 1 1 324 . 8 1 1 A 31 31 GLU HA H 31 4.418 4.433 -0.015 1 1 325 . 8 1 1 A 31 31 GLU CB C 31 31.108 30.123 0.985 1 1 329 . 8 1 1 A 31 31 GLU C C 31 176.184 175.168 1.016 1 1 332 . 8 1 1 A 32 32 ILE N N 32 121.780 122.131 -0.351 1 1 333 . 8 1 1 A 32 32 ILE H H 32 8.155 7.539 0.616 1 1 334 . 8 1 1 A 32 32 ILE CA C 32 58.252 59.343 -1.091 1 1 335 . 8 1 1 A 32 32 ILE HA H 32 5.409 5.270 0.139 1 1 336 . 8 1 1 A 32 32 ILE CB C 32 39.008 42.164 -3.156 1 1 348 . 8 1 1 A 32 32 ILE C C 32 175.262 174.374 0.888 1 1 350 . 8 1 1 A 33 33 THR N N 33 117.063 115.965 1.098 1 1 351 . 8 1 1 A 33 33 THR H H 33 8.906 8.638 0.268 1 1 352 . 8 1 1 A 33 33 THR CA C 33 59.591 60.166 -0.575 1 1 353 . 8 1 1 A 33 33 THR HA H 33 4.707 5.182 -0.475 1 1 354 . 8 1 1 A 33 33 THR CB C 33 72.003 72.372 -0.369 1 1 360 . 8 1 1 A 33 33 THR C C 33 173.146 172.714 0.432 1 1 361 . 8 1 1 A 34 34 GLY N N 34 106.583 108.319 -1.736 1 1 362 . 8 1 1 A 34 34 GLY H H 34 8.603 8.430 0.173 1 1 363 . 8 1 1 A 34 34 GLY CA C 34 45.032 45.389 -0.357 1 1 364 . 8 1 1 A 34 34 GLY HA3 H 34 3.424 4.435 -1.011 1 1 365 . 8 1 1 A 34 34 GLY C C 34 172.260 172.217 0.043 1 1 366 . 8 1 1 A 34 34 GLY HA2 H 34 5.351 4.429 0.922 1 1 367 . 8 1 1 A 35 35 GLU N N 35 118.818 119.848 -1.030 1 1 368 . 8 1 1 A 35 35 GLU H H 35 8.756 8.731 0.025 1 1 369 . 8 1 1 A 35 35 GLU CA C 35 56.375 55.188 1.187 1 1 370 . 8 1 1 A 35 35 GLU HA H 35 4.739 5.112 -0.373 1 1 371 . 8 1 1 A 35 35 GLU CB C 35 34.673 33.927 0.746 1 1 375 . 8 1 1 A 35 35 GLU C C 35 173.645 174.358 -0.713 1 1 378 . 8 1 1 A 36 36 VAL N N 36 124.835 123.736 1.099 1 1 379 . 8 1 1 A 36 36 VAL H H 36 9.291 8.416 0.875 1 1 380 . 8 1 1 A 36 36 VAL CA C 36 60.780 61.052 -0.272 1 1 381 . 8 1 1 A 36 36 VAL HA H 36 4.751 4.935 -0.184 1 1 382 . 8 1 1 A 36 36 VAL CB C 36 33.990 35.361 -1.371 1 1 392 . 8 1 1 A 36 36 VAL C C 36 174.137 174.963 -0.826 1 1 393 . 8 1 1 A 37 37 HIS N N 37 126.324 126.014 0.310 1 1 394 . 8 1 1 A 37 37 HIS H H 37 9.294 9.200 0.094 1 1 395 . 8 1 1 A 37 37 HIS CA C 37 54.625 54.675 -0.050 1 1 396 . 8 1 1 A 37 37 HIS HA H 37 4.751 4.929 -0.178 1 1 397 . 8 1 1 A 37 37 HIS CB C 37 30.676 29.616 1.060 1 1 403 . 8 1 1 A 37 37 HIS C C 37 174.317 174.625 -0.308 1 1 405 . 8 1 1 A 38 38 MET N N 38 122.552 124.433 -1.881 1 1 406 . 8 1 1 A 38 38 MET H H 38 8.303 8.588 -0.285 1 1 407 . 8 1 1 A 38 38 MET CA C 38 54.086 55.178 -1.092 1 1 408 . 8 1 1 A 38 38 MET HA H 38 4.089 4.318 -0.229 1 1 409 . 8 1 1 A 38 38 MET CB C 38 32.900 32.290 0.610 1 1 417 . 8 1 1 A 38 38 MET C C 38 174.851 176.047 -1.196 1 1 420 . 8 1 1 A 39 39 PRO CA C 39 65.874 64.292 1.582 1 1 421 . 8 1 1 A 39 39 PRO HA H 39 4.156 4.306 -0.150 1 1 422 . 8 1 1 A 39 39 PRO CB C 39 31.312 31.809 -0.497 1 1 428 . 8 1 1 A 39 39 PRO C C 39 178.047 177.778 0.269 1 1 432 . 8 1 1 A 40 40 SER N N 40 111.214 111.719 -0.505 1 1 433 . 8 1 1 A 40 40 SER H H 40 8.759 7.748 1.011 1 1 434 . 8 1 1 A 40 40 SER CA C 40 59.667 58.617 1.050 1 1 435 . 8 1 1 A 40 40 SER HA H 40 4.089 4.442 -0.353 1 1 436 . 8 1 1 A 40 40 SER CB C 40 62.726 63.529 -0.803 1 1 438 . 8 1 1 A 40 40 SER C C 40 176.300 174.491 1.809 1 1 440 . 8 1 1 A 41 41 GLY N N 41 111.180 109.042 2.138 1 1 441 . 8 1 1 A 41 41 GLY H H 41 8.293 8.020 0.273 1 1 442 . 8 1 1 A 41 41 GLY CA C 41 44.624 45.069 -0.445 1 1 443 . 8 1 1 A 41 41 GLY HA3 H 41 3.620 4.019 -0.399 1 1 444 . 8 1 1 A 41 41 GLY C C 41 174.516 173.916 0.600 1 1 445 . 8 1 1 A 41 41 GLY HA2 H 41 4.447 4.013 0.434 1 1 446 . 8 1 1 A 42 42 LYS N N 42 120.452 119.423 1.029 1 1 447 . 8 1 1 A 42 42 LYS H H 42 7.038 7.804 -0.766 1 1 448 . 8 1 1 A 42 42 LYS CA C 42 56.944 54.428 2.516 1 1 449 . 8 1 1 A 42 42 LYS HA H 42 4.286 4.716 -0.430 1 1 450 . 8 1 1 A 42 42 LYS CB C 42 33.719 34.747 -1.028 1 1 457 . 8 1 1 A 42 42 LYS C C 42 175.050 175.167 -0.117 1 1 462 . 8 1 1 A 43 43 THR N N 43 111.705 111.831 -0.126 1 1 463 . 8 1 1 A 43 43 THR H H 43 8.110 8.915 -0.805 1 1 464 . 8 1 1 A 43 43 THR CA C 43 59.653 60.194 -0.541 1 1 465 . 8 1 1 A 43 43 THR HA H 43 5.450 5.279 0.171 1 1 466 . 8 1 1 A 43 43 THR CB C 43 71.842 72.023 -0.181 1 1 472 . 8 1 1 A 43 43 THR C C 43 174.054 173.194 0.860 1 1 473 . 8 1 1 A 44 44 ALA N N 44 123.338 122.282 1.056 1 1 474 . 8 1 1 A 44 44 ALA H H 44 8.683 8.137 0.546 1 1 475 . 8 1 1 A 44 44 ALA CA C 44 50.752 51.790 -1.038 1 1 476 . 8 1 1 A 44 44 ALA HA H 44 4.798 4.839 -0.041 1 1 477 . 8 1 1 A 44 44 ALA CB C 44 24.091 22.977 1.114 1 1 481 . 8 1 1 A 44 44 ALA C C 44 175.947 175.978 -0.031 1 1 482 . 8 1 1 A 45 45 THR N N 45 117.733 112.944 4.789 1 1 483 . 8 1 1 A 45 45 THR H H 45 8.934 8.508 0.426 1 1 484 . 8 1 1 A 45 45 THR CA C 45 59.517 59.560 -0.043 1 1 485 . 8 1 1 A 45 45 THR HA H 45 4.894 4.828 0.066 1 1 486 . 8 1 1 A 45 45 THR CB C 45 70.403 69.575 0.828 1 1 492 . 8 1 1 A 45 45 THR C C 45 173.394 173.405 -0.011 1 1 493 . 8 1 1 A 46 46 PRO CA C 46 62.017 62.282 -0.265 1 1 494 . 8 1 1 A 46 46 PRO HA H 46 4.978 4.601 0.377 1 1 495 . 8 1 1 A 46 46 PRO CB C 46 32.885 32.375 0.510 1 1 501 . 8 1 1 A 46 46 PRO C C 46 173.937 176.023 -2.086 1 1 505 . 8 1 1 A 47 47 GLU N N 47 120.450 120.771 -0.321 1 1 506 . 8 1 1 A 47 47 GLU H H 47 8.894 8.481 0.413 1 1 507 . 8 1 1 A 47 47 GLU CA C 47 56.040 55.968 0.072 1 1 508 . 8 1 1 A 47 47 GLU HA H 47 4.409 4.654 -0.245 1 1 509 . 8 1 1 A 47 47 GLU CB C 47 31.436 30.743 0.693 1 1 513 . 8 1 1 A 47 47 GLU C C 47 175.160 174.949 0.211 1 1 516 . 8 1 1 A 48 48 ILE N N 48 124.818 127.039 -2.221 1 1 517 . 8 1 1 A 48 48 ILE H H 48 8.467 8.770 -0.303 1 1 518 . 8 1 1 A 48 48 ILE CA C 48 60.408 60.432 -0.024 1 1 519 . 8 1 1 A 48 48 ILE HA H 48 4.727 4.652 0.075 1 1 520 . 8 1 1 A 48 48 ILE CB C 48 38.177 39.878 -1.701 1 1 532 . 8 1 1 A 48 48 ILE C C 48 175.681 174.659 1.022 1 1 534 . 8 1 1 A 49 49 VAL N N 49 129.411 128.238 1.173 1 1 535 . 8 1 1 A 49 49 VAL H H 49 9.417 9.086 0.331 1 1 536 . 8 1 1 A 49 49 VAL CA C 49 61.259 60.647 0.612 1 1 537 . 8 1 1 A 49 49 VAL HA H 49 4.188 4.774 -0.586 1 1 538 . 8 1 1 A 49 49 VAL CB C 49 34.719 34.899 -0.180 1 1 548 . 8 1 1 A 49 49 VAL C C 49 174.654 173.844 0.810 1 1 549 . 8 1 1 A 50 50 ASP N N 50 125.078 128.143 -3.065 1 1 550 . 8 1 1 A 50 50 ASP H H 50 8.664 8.913 -0.249 1 1 551 . 8 1 1 A 50 50 ASP CA C 50 53.899 52.603 1.296 1 1 552 . 8 1 1 A 50 50 ASP HA H 50 4.683 5.294 -0.611 1 1 553 . 8 1 1 A 50 50 ASP CB C 50 41.270 41.731 -0.461 1 1 555 . 8 1 1 A 50 50 ASP C C 50 176.440 175.723 0.717 1 1 557 . 8 1 1 A 51 51 ASN N N 51 123.926 125.355 -1.429 1 1 558 . 8 1 1 A 51 51 ASN H H 51 8.212 8.559 -0.347 1 1 559 . 8 1 1 A 51 51 ASN CA C 51 53.917 53.682 0.235 1 1 560 . 8 1 1 A 51 51 ASN HA H 51 4.703 4.627 0.076 1 1 561 . 8 1 1 A 51 51 ASN CB C 51 38.667 39.546 -0.879 1 1 566 . 8 1 1 A 51 51 ASN C C 51 176.260 175.820 0.440 1 1 568 . 8 1 1 A 52 52 LYS N N 52 115.640 120.995 -5.355 1 1 569 . 8 1 1 A 52 52 LYS H H 52 9.145 8.945 0.200 1 1 570 . 8 1 1 A 52 52 LYS CA C 52 58.127 56.525 1.602 1 1 571 . 8 1 1 A 52 52 LYS HA H 52 4.040 4.459 -0.419 1 1 572 . 8 1 1 A 52 52 LYS CB C 52 29.405 31.996 -2.591 1 1 580 . 8 1 1 A 52 52 LYS C C 52 175.471 176.385 -0.914 1 1 585 . 8 1 1 A 53 53 ASP N N 53 117.607 120.388 -2.781 1 1 586 . 8 1 1 A 53 53 ASP H H 53 7.824 8.022 -0.198 1 1 587 . 8 1 1 A 53 53 ASP CA C 53 52.598 54.854 -2.256 1 1 588 . 8 1 1 A 53 53 ASP HA H 53 4.690 4.845 -0.155 1 1 589 . 8 1 1 A 53 53 ASP CB C 53 40.929 43.240 -2.311 1 1 591 . 8 1 1 A 53 53 ASP C C 53 177.173 176.341 0.832 1 1 593 . 8 1 1 A 54 54 GLY N N 54 108.692 107.201 1.491 1 1 594 . 8 1 1 A 54 54 GLY H H 54 8.548 8.049 0.499 1 1 595 . 8 1 1 A 54 54 GLY CA C 54 45.161 45.141 0.020 1 1 596 . 8 1 1 A 54 54 GLY HA3 H 54 3.653 4.017 -0.364 1 1 597 . 8 1 1 A 54 54 GLY C C 54 173.737 173.536 0.201 1 1 598 . 8 1 1 A 54 54 GLY HA2 H 54 4.372 4.011 0.361 1 1 599 . 8 1 1 A 55 55 THR N N 55 110.165 109.837 0.328 1 1 600 . 8 1 1 A 55 55 THR H H 55 7.929 7.518 0.411 1 1 601 . 8 1 1 A 55 55 THR CA C 55 60.412 59.561 0.851 1 1 602 . 8 1 1 A 55 55 THR HA H 55 5.100 4.890 0.210 1 1 603 . 8 1 1 A 55 55 THR CB C 55 73.027 72.756 0.271 1 1 609 . 8 1 1 A 55 55 THR C C 55 174.206 172.753 1.453 1 1 610 . 8 1 1 A 56 56 VAL N N 56 115.822 120.521 -4.699 1 1 611 . 8 1 1 A 56 56 VAL H H 56 8.581 8.443 0.138 1 1 612 . 8 1 1 A 56 56 VAL CA C 56 59.608 59.971 -0.363 1 1 613 . 8 1 1 A 56 56 VAL HA H 56 5.132 5.336 -0.204 1 1 614 . 8 1 1 A 56 56 VAL CB C 56 35.607 35.062 0.545 1 1 624 . 8 1 1 A 56 56 VAL C C 56 174.437 174.945 -0.508 1 1 625 . 8 1 1 A 57 57 THR N N 57 120.574 121.943 -1.369 1 1 626 . 8 1 1 A 57 57 THR H H 57 9.151 8.596 0.555 1 1 627 . 8 1 1 A 57 57 THR CA C 57 61.543 61.679 -0.136 1 1 628 . 8 1 1 A 57 57 THR HA H 57 5.021 5.160 -0.139 1 1 629 . 8 1 1 A 57 57 THR CB C 57 71.080 70.559 0.521 1 1 635 . 8 1 1 A 57 57 THR C C 57 173.190 173.209 -0.019 1 1 636 . 8 1 1 A 58 58 VAL N N 58 127.832 128.238 -0.406 1 1 637 . 8 1 1 A 58 58 VAL H H 58 9.296 9.082 0.214 1 1 638 . 8 1 1 A 58 58 VAL CA C 58 61.204 61.805 -0.601 1 1 639 . 8 1 1 A 58 58 VAL HA H 58 4.774 4.933 -0.159 1 1 640 . 8 1 1 A 58 58 VAL CB C 58 32.626 31.547 1.079 1 1 650 . 8 1 1 A 58 58 VAL C C 58 173.991 174.756 -0.765 1 1 651 . 8 1 1 A 59 59 ARG N N 59 126.761 129.151 -2.390 1 1 652 . 8 1 1 A 59 59 ARG H H 59 9.190 8.983 0.207 1 1 653 . 8 1 1 A 59 59 ARG CA C 59 54.384 54.028 0.356 1 1 654 . 8 1 1 A 59 59 ARG HA H 59 5.488 5.364 0.124 1 1 655 . 8 1 1 A 59 59 ARG CB C 59 34.262 34.001 0.261 1 1 661 . 8 1 1 A 59 59 ARG C C 59 174.849 173.876 0.973 1 1 665 . 8 1 1 A 60 60 TYR N N 60 123.838 126.488 -2.650 1 1 666 . 8 1 1 A 60 60 TYR H H 60 9.164 8.525 0.639 1 1 667 . 8 1 1 A 60 60 TYR CA C 60 56.684 57.448 -0.764 1 1 668 . 8 1 1 A 60 60 TYR HA H 60 5.024 5.052 -0.028 1 1 669 . 8 1 1 A 60 60 TYR CB C 60 42.761 42.203 0.558 1 1 675 . 8 1 1 A 60 60 TYR C C 60 171.861 173.633 -1.772 1 1 677 . 8 1 1 A 61 61 ALA N N 61 134.382 129.149 5.233 1 1 678 . 8 1 1 A 61 61 ALA H H 61 8.023 8.427 -0.404 1 1 679 . 8 1 1 A 61 61 ALA CA C 61 47.869 48.270 -0.401 1 1 680 . 8 1 1 A 61 61 ALA HA H 61 4.670 4.494 0.176 1 1 681 . 8 1 1 A 61 61 ALA CB C 61 18.685 20.177 -1.492 1 1 685 . 8 1 1 A 61 61 ALA C C 61 172.714 175.519 -2.805 1 1 686 . 8 1 1 A 62 62 PRO CA C 62 62.455 62.447 0.008 1 1 687 . 8 1 1 A 62 62 PRO HA H 62 4.137 4.397 -0.260 1 1 688 . 8 1 1 A 62 62 PRO CB C 62 33.972 31.760 2.212 1 1 694 . 8 1 1 A 62 62 PRO C C 62 175.567 177.234 -1.667 1 1 698 . 8 1 1 A 63 63 THR N N 63 106.145 113.520 -7.375 1 1 699 . 8 1 1 A 63 63 THR H H 63 8.819 8.760 0.059 1 1 700 . 8 1 1 A 63 63 THR CA C 63 60.795 63.902 -3.107 1 1 701 . 8 1 1 A 63 63 THR HA H 63 4.278 4.451 -0.173 1 1 702 . 8 1 1 A 63 63 THR CB C 63 70.379 69.533 0.846 1 1 708 . 8 1 1 A 63 63 THR C C 63 173.771 174.772 -1.001 1 1 709 . 8 1 1 A 64 64 GLU N N 64 119.851 119.189 0.662 1 1 710 . 8 1 1 A 64 64 GLU H H 64 7.217 7.742 -0.525 1 1 711 . 8 1 1 A 64 64 GLU CA C 64 54.483 54.613 -0.130 1 1 712 . 8 1 1 A 64 64 GLU HA H 64 4.560 4.941 -0.381 1 1 713 . 8 1 1 A 64 64 GLU CB C 64 33.675 34.667 -0.992 1 1 717 . 8 1 1 A 64 64 GLU C C 64 173.177 175.348 -2.171 1 1 720 . 8 1 1 A 65 65 VAL N N 65 114.914 119.361 -4.447 1 1 721 . 8 1 1 A 65 65 VAL H H 65 7.740 8.525 -0.785 1 1 722 . 8 1 1 A 65 65 VAL CA C 65 61.412 60.932 0.480 1 1 723 . 8 1 1 A 65 65 VAL HA H 65 3.730 4.405 -0.675 1 1 724 . 8 1 1 A 65 65 VAL CB C 65 33.477 33.129 0.348 1 1 734 . 8 1 1 A 65 65 VAL C C 65 176.588 174.967 1.621 1 1 735 . 8 1 1 A 66 66 GLY N N 66 108.948 108.450 0.498 1 1 736 . 8 1 1 A 66 66 GLY H H 66 8.821 7.784 1.037 1 1 737 . 8 1 1 A 66 66 GLY CA C 66 43.304 43.964 -0.660 1 1 738 . 8 1 1 A 66 66 GLY HA3 H 66 4.468 3.957 0.511 1 1 739 . 8 1 1 A 66 66 GLY C C 66 175.811 171.461 4.350 1 1 740 . 8 1 1 A 66 66 GLY HA2 H 66 3.184 3.797 -0.613 1 1 741 . 8 1 1 A 67 67 LEU N N 67 126.594 122.332 4.262 1 1 742 . 8 1 1 A 67 67 LEU H H 67 9.023 8.289 0.734 1 1 743 . 8 1 1 A 67 67 LEU CA C 67 56.432 53.439 2.993 1 1 744 . 8 1 1 A 67 67 LEU HA H 67 4.137 4.848 -0.711 1 1 745 . 8 1 1 A 67 67 LEU CB C 67 41.933 43.978 -2.045 1 1 757 . 8 1 1 A 67 67 LEU C C 67 174.817 174.617 0.200 1 1 759 . 8 1 1 A 68 68 HIS N N 68 127.130 126.272 0.858 1 1 760 . 8 1 1 A 68 68 HIS H H 68 9.165 8.345 0.820 1 1 761 . 8 1 1 A 68 68 HIS CA C 68 54.518 54.264 0.254 1 1 762 . 8 1 1 A 68 68 HIS HA H 68 4.562 5.048 -0.486 1 1 763 . 8 1 1 A 68 68 HIS CB C 68 32.159 31.311 0.848 1 1 769 . 8 1 1 A 68 68 HIS C C 68 173.717 173.520 0.197 1 1 771 . 8 1 1 A 69 69 GLU N N 69 116.428 124.547 -8.119 1 1 772 . 8 1 1 A 69 69 GLU H H 69 8.096 8.643 -0.547 1 1 773 . 8 1 1 A 69 69 GLU CA C 69 54.625 55.051 -0.426 1 1 774 . 8 1 1 A 69 69 GLU HA H 69 5.274 5.293 -0.019 1 1 775 . 8 1 1 A 69 69 GLU CB C 69 34.361 32.341 2.020 1 1 779 . 8 1 1 A 69 69 GLU C C 69 174.811 175.068 -0.257 1 1 782 . 8 1 1 A 70 70 MET N N 70 126.104 127.806 -1.702 1 1 783 . 8 1 1 A 70 70 MET H H 70 9.874 9.159 0.715 1 1 784 . 8 1 1 A 70 70 MET CA C 70 54.399 54.315 0.084 1 1 785 . 8 1 1 A 70 70 MET HA H 70 5.272 5.363 -0.091 1 1 786 . 8 1 1 A 70 70 MET CB C 70 36.158 34.896 1.262 1 1 794 . 8 1 1 A 70 70 MET C C 70 173.699 175.382 -1.683 1 1 797 . 8 1 1 A 71 71 HIS N N 71 129.007 123.093 5.914 1 1 798 . 8 1 1 A 71 71 HIS H H 71 9.533 9.573 -0.040 1 1 799 . 8 1 1 A 71 71 HIS CA C 71 54.201 54.490 -0.289 1 1 800 . 8 1 1 A 71 71 HIS HA H 71 5.273 5.181 0.092 1 1 801 . 8 1 1 A 71 71 HIS CB C 71 33.546 31.784 1.762 1 1 807 . 8 1 1 A 71 71 HIS C C 71 174.997 173.952 1.045 1 1 809 . 8 1 1 A 72 72 ILE N N 72 126.123 124.127 1.996 1 1 810 . 8 1 1 A 72 72 ILE H H 72 9.842 9.014 0.828 1 1 811 . 8 1 1 A 72 72 ILE CA C 72 60.037 59.850 0.187 1 1 812 . 8 1 1 A 72 72 ILE HA H 72 4.885 4.872 0.013 1 1 813 . 8 1 1 A 72 72 ILE CB C 72 40.102 40.409 -0.307 1 1 825 . 8 1 1 A 72 72 ILE C C 72 173.955 175.386 -1.431 1 1 827 . 8 1 1 A 73 73 LYS N N 73 124.414 125.460 -1.046 1 1 828 . 8 1 1 A 73 73 LYS H H 73 8.854 8.842 0.012 1 1 829 . 8 1 1 A 73 73 LYS CA C 73 54.200 55.049 -0.849 1 1 830 . 8 1 1 A 73 73 LYS HA H 73 4.964 5.024 -0.060 1 1 831 . 8 1 1 A 73 73 LYS CB C 73 36.335 35.683 0.652 1 1 839 . 8 1 1 A 73 73 LYS C C 73 174.360 174.120 0.240 1 1 844 . 8 1 1 A 74 74 TYR N N 74 121.190 126.379 -5.189 1 1 845 . 8 1 1 A 74 74 TYR H H 74 8.979 9.317 -0.338 1 1 846 . 8 1 1 A 74 74 TYR CA C 74 55.271 57.555 -2.284 1 1 847 . 8 1 1 A 74 74 TYR HA H 74 5.365 4.895 0.470 1 1 848 . 8 1 1 A 74 74 TYR CB C 74 41.143 40.515 0.628 1 1 858 . 8 1 1 A 74 74 TYR C C 74 175.646 174.954 0.692 1 1 860 . 8 1 1 A 75 75 MET N N 75 125.219 126.834 -1.615 1 1 861 . 8 1 1 A 75 75 MET H H 75 9.096 9.656 -0.560 1 1 862 . 8 1 1 A 75 75 MET CA C 75 56.166 56.585 -0.419 1 1 863 . 8 1 1 A 75 75 MET HA H 75 3.920 4.159 -0.239 1 1 864 . 8 1 1 A 75 75 MET CB C 75 29.423 31.147 -1.724 1 1 872 . 8 1 1 A 75 75 MET C C 75 176.809 176.159 0.650 1 1 875 . 8 1 1 A 76 76 GLY N N 76 102.874 104.540 -1.666 1 1 876 . 8 1 1 A 76 76 GLY H H 76 8.573 8.620 -0.047 1 1 877 . 8 1 1 A 76 76 GLY CA C 76 45.421 46.251 -0.830 1 1 878 . 8 1 1 A 76 76 GLY HA3 H 76 4.221 3.909 0.312 1 1 879 . 8 1 1 A 76 76 GLY C C 76 174.014 173.750 0.264 1 1 880 . 8 1 1 A 76 76 GLY HA2 H 76 3.471 3.891 -0.420 1 1 881 . 8 1 1 A 77 77 SER N N 77 115.868 114.875 0.993 1 1 882 . 8 1 1 A 77 77 SER H H 77 7.609 7.611 -0.002 1 1 883 . 8 1 1 A 77 77 SER CA C 77 56.956 57.621 -0.665 1 1 884 . 8 1 1 A 77 77 SER HA H 77 4.935 4.915 0.020 1 1 885 . 8 1 1 A 77 77 SER CB C 77 65.336 66.154 -0.818 1 1 887 . 8 1 1 A 77 77 SER C C 77 173.677 173.019 0.658 1 1 889 . 8 1 1 A 78 78 HIS N N 78 124.606 123.591 1.015 1 1 890 . 8 1 1 A 78 78 HIS H H 78 8.751 8.896 -0.145 1 1 891 . 8 1 1 A 78 78 HIS CA C 78 59.005 57.294 1.711 1 1 892 . 8 1 1 A 78 78 HIS HA H 78 4.617 4.774 -0.157 1 1 893 . 8 1 1 A 78 78 HIS CB C 78 32.066 30.793 1.273 1 1 899 . 8 1 1 A 78 78 HIS C C 78 178.429 175.677 2.752 1 1 901 . 8 1 1 A 79 79 ILE N N 79 117.547 119.382 -1.835 1 1 902 . 8 1 1 A 79 79 ILE H H 79 8.102 8.584 -0.482 1 1 903 . 8 1 1 A 79 79 ILE CA C 79 61.442 58.866 2.576 1 1 904 . 8 1 1 A 79 79 ILE HA H 79 4.737 4.588 0.149 1 1 905 . 8 1 1 A 79 79 ILE CB C 79 35.644 38.241 -2.597 1 1 917 . 8 1 1 A 79 79 ILE C C 79 174.657 176.068 -1.411 1 1 919 . 8 1 1 A 80 80 PRO CA C 80 66.398 64.270 2.128 1 1 920 . 8 1 1 A 80 80 PRO HA H 80 4.296 4.524 -0.228 1 1 921 . 8 1 1 A 80 80 PRO CB C 80 31.380 31.496 -0.116 1 1 927 . 8 1 1 A 80 80 PRO C C 80 177.763 177.009 0.754 1 1 931 . 8 1 1 A 81 81 GLU N N 81 114.279 117.361 -3.082 1 1 932 . 8 1 1 A 81 81 GLU H H 81 8.913 8.342 0.571 1 1 933 . 8 1 1 A 81 81 GLU CA C 81 58.285 56.699 1.586 1 1 934 . 8 1 1 A 81 81 GLU HA H 81 4.043 4.576 -0.533 1 1 935 . 8 1 1 A 81 81 GLU CB C 81 29.010 31.220 -2.210 1 1 939 . 8 1 1 A 81 81 GLU C C 81 174.743 175.822 -1.079 1 1 942 . 8 1 1 A 82 82 SER N N 82 112.700 116.155 -3.455 1 1 943 . 8 1 1 A 82 82 SER H H 82 7.918 7.716 0.202 1 1 944 . 8 1 1 A 82 82 SER CA C 82 54.519 55.945 -1.426 1 1 945 . 8 1 1 A 82 82 SER HA H 82 4.798 4.897 -0.099 1 1 946 . 8 1 1 A 82 82 SER CB C 82 64.077 65.828 -1.751 1 1 948 . 8 1 1 A 82 82 SER C C 82 173.394 171.752 1.642 1 1 950 . 8 1 1 A 83 83 PRO CA C 83 62.597 62.357 0.240 1 1 951 . 8 1 1 A 83 83 PRO HA H 83 5.247 4.700 0.547 1 1 952 . 8 1 1 A 83 83 PRO CB C 83 34.681 32.849 1.832 1 1 958 . 8 1 1 A 83 83 PRO C C 83 175.783 175.834 -0.051 1 1 962 . 8 1 1 A 84 84 LEU N N 84 123.427 116.933 6.494 1 1 963 . 8 1 1 A 84 84 LEU H H 84 9.099 8.138 0.961 1 1 964 . 8 1 1 A 84 84 LEU CA C 84 54.413 52.579 1.834 1 1 965 . 8 1 1 A 84 84 LEU HA H 84 4.893 5.293 -0.400 1 1 966 . 8 1 1 A 84 84 LEU CB C 84 44.452 46.527 -2.075 1 1 978 . 8 1 1 A 84 84 LEU C C 84 176.054 175.754 0.300 1 1 980 . 8 1 1 A 85 85 GLN N N 85 122.438 118.528 3.910 1 1 981 . 8 1 1 A 85 85 GLN H H 85 8.869 8.659 0.210 1 1 982 . 8 1 1 A 85 85 GLN CA C 85 54.811 54.592 0.219 1 1 983 . 8 1 1 A 85 85 GLN HA H 85 5.359 5.414 -0.055 1 1 984 . 8 1 1 A 85 85 GLN CB C 85 30.972 32.360 -1.388 1 1 991 . 8 1 1 A 85 85 GLN C C 85 175.687 174.731 0.956 1 1 994 . 8 1 1 A 86 86 PHE N N 86 118.108 119.255 -1.147 1 1 995 . 8 1 1 A 86 86 PHE H H 86 8.483 8.439 0.044 1 1 996 . 8 1 1 A 86 86 PHE CA C 86 56.104 55.541 0.563 1 1 997 . 8 1 1 A 86 86 PHE HA H 86 4.917 5.540 -0.623 1 1 998 . 8 1 1 A 86 86 PHE CB C 86 40.732 41.842 -1.110 1 1 1010 . 8 1 1 A 86 86 PHE C C 86 171.607 172.764 -1.157 1 1 1012 . 8 1 1 A 87 87 TYR N N 87 124.521 125.772 -1.251 1 1 1013 . 8 1 1 A 87 87 TYR H H 87 9.179 9.112 0.067 1 1 1014 . 8 1 1 A 87 87 TYR CA C 87 57.832 57.503 0.329 1 1 1015 . 8 1 1 A 87 87 TYR HA H 87 4.643 5.155 -0.512 1 1 1016 . 8 1 1 A 87 87 TYR CB C 87 40.731 39.578 1.153 1 1 1026 . 8 1 1 A 87 87 TYR C C 87 175.145 174.217 0.928 1 1 1028 . 8 1 1 A 88 88 VAL N N 88 129.828 127.665 2.163 1 1 1029 . 8 1 1 A 88 88 VAL H H 88 7.865 8.391 -0.526 1 1 1030 . 8 1 1 A 88 88 VAL CA C 88 61.875 61.262 0.613 1 1 1031 . 8 1 1 A 88 88 VAL HA H 88 4.219 4.442 -0.223 1 1 1032 . 8 1 1 A 88 88 VAL CB C 88 32.943 31.544 1.399 1 1 1042 . 8 1 1 A 88 88 VAL C C 88 174.472 174.585 -0.113 1 1 1043 . 8 1 1 A 89 89 ASN N N 89 124.798 127.471 -2.673 1 1 1044 . 8 1 1 A 89 89 ASN H H 89 8.649 8.923 -0.274 1 1 1045 . 8 1 1 A 89 89 ASN CA C 89 52.062 51.856 0.206 1 1 1046 . 8 1 1 A 89 89 ASN HA H 89 5.024 4.835 0.189 1 1 1047 . 8 1 1 A 89 89 ASN CB C 89 41.470 40.375 1.095 1 1 1052 . 8 1 1 A 89 89 ASN C C 89 175.232 174.708 0.524 1 1 1054 . 8 1 1 A 90 90 TYR N N 90 119.662 124.291 -4.629 1 1 1055 . 8 1 1 A 90 90 TYR H H 90 8.559 8.850 -0.291 1 1 1056 . 8 1 1 A 90 90 TYR CA C 90 58.020 57.255 0.765 1 1 1057 . 8 1 1 A 90 90 TYR HA H 90 4.485 4.723 -0.238 1 1 1058 . 8 1 1 A 90 90 TYR CB C 90 37.880 39.482 -1.602 1 1 1068 . 8 1 1 A 90 90 TYR C C 90 174.972 176.102 -1.130 1 1 1070 . 8 1 1 A 91 91 PRO CA C 91 63.396 63.639 -0.243 1 1 1071 . 8 1 1 A 91 91 PRO HA H 91 4.337 4.479 -0.142 1 1 1072 . 8 1 1 A 91 91 PRO CB C 91 32.028 31.605 0.423 1 1 1081 . 8 1 1 A 92 92 ASN N N 92 118.175 117.967 0.208 1 1 1082 . 8 1 1 A 92 92 ASN H H 92 8.429 7.732 0.697 1 1 1083 . 8 1 1 A 92 92 ASN CA C 92 53.343 53.164 0.179 1 1 1084 . 8 1 1 A 92 92 ASN HA H 92 4.691 4.671 0.020 1 1 1085 . 8 1 1 A 92 92 ASN CB C 92 39.000 39.762 -0.762 1 1 1091 . 8 1 1 A 93 93 SER N N 93 115.984 117.574 -1.590 1 1 1092 . 8 1 1 A 93 93 SER H H 93 8.344 8.479 -0.135 1 1 1093 . 8 1 1 A 93 93 SER CA C 93 58.618 56.306 2.312 1 1 1094 . 8 1 1 A 93 93 SER HA H 93 4.474 5.170 -0.696 1 1 1095 . 8 1 1 A 93 93 SER CB C 93 63.894 66.534 -2.640 1 1 1098 . 8 1 1 A 94 94 GLY N N 94 111.442 110.165 1.277 1 1 1099 . 8 1 1 A 94 94 GLY H H 94 8.499 8.889 -0.390 1 1 1100 . 8 1 1 A 94 94 GLY CA C 94 45.417 47.304 -1.887 1 1 1101 . 8 1 1 A 94 94 GLY HA3 H 94 4.016 3.866 0.150 1 1 1102 . 8 1 1 A 94 94 GLY C C 94 173.391 175.910 -2.519 1 1 1103 . 8 1 1 A 94 94 GLY HA2 H 94 4.016 3.862 0.154 1 1 1 . 9 1 1 A 2 2 SER CA C 2 58.268 57.096 1.172 1 1 2 . 9 1 1 A 2 2 SER CB C 2 63.729 64.008 -0.279 1 1 3 . 9 1 1 A 2 2 SER C C 2 174.818 173.181 1.637 1 1 4 . 9 1 1 A 3 3 SER CA C 3 58.693 56.489 2.204 1 1 5 . 9 1 1 A 3 3 SER CB C 3 63.906 64.969 -1.063 1 1 6 . 9 1 1 A 3 3 SER C C 3 174.981 173.270 1.711 1 1 7 . 9 1 1 A 5 5 SER C C 5 178.688 173.655 5.033 1 1 8 . 9 1 1 A 6 6 SER CA C 6 58.453 57.530 0.923 1 1 9 . 9 1 1 A 6 6 SER HA H 6 4.502 5.180 -0.678 1 1 10 . 9 1 1 A 6 6 SER CB C 6 63.956 66.227 -2.271 1 1 13 . 9 1 1 A 7 7 GLY N N 7 110.931 113.246 -2.315 1 1 14 . 9 1 1 A 7 7 GLY H H 7 8.436 9.069 -0.633 1 1 15 . 9 1 1 A 7 7 GLY CA C 7 45.357 44.678 0.679 1 1 16 . 9 1 1 A 7 7 GLY HA3 H 7 3.979 4.235 -0.256 1 1 17 . 9 1 1 A 7 7 GLY C C 7 174.128 171.953 2.175 1 1 18 . 9 1 1 A 7 7 GLY HA2 H 7 3.979 4.234 -0.255 1 1 19 . 9 1 1 A 8 8 VAL N N 8 119.070 123.617 -4.547 1 1 20 . 9 1 1 A 8 8 VAL H H 8 8.006 8.888 -0.882 1 1 21 . 9 1 1 A 8 8 VAL CA C 8 62.332 59.262 3.070 1 1 22 . 9 1 1 A 8 8 VAL HA H 8 4.180 4.960 -0.780 1 1 23 . 9 1 1 A 8 8 VAL CB C 8 32.819 35.539 -2.720 1 1 33 . 9 1 1 A 8 8 VAL C C 8 176.359 175.023 1.336 1 1 34 . 9 1 1 A 9 9 SER N N 9 119.223 123.081 -3.858 1 1 35 . 9 1 1 A 9 9 SER H H 9 8.418 8.992 -0.574 1 1 36 . 9 1 1 A 9 9 SER CA C 9 58.392 57.742 0.650 1 1 37 . 9 1 1 A 9 9 SER HA H 9 4.469 4.753 -0.284 1 1 38 . 9 1 1 A 9 9 SER CB C 9 63.948 64.422 -0.474 1 1 40 . 9 1 1 A 9 9 SER C C 9 174.256 174.054 0.202 1 1 42 . 9 1 1 A 10 10 ASP N N 10 122.453 123.139 -0.686 1 1 43 . 9 1 1 A 10 10 ASP H H 10 8.311 8.611 -0.300 1 1 44 . 9 1 1 A 10 10 ASP CA C 10 54.450 53.864 0.586 1 1 45 . 9 1 1 A 10 10 ASP HA H 10 4.592 5.088 -0.496 1 1 46 . 9 1 1 A 10 10 ASP CB C 10 41.174 42.102 -0.928 1 1 48 . 9 1 1 A 10 10 ASP C C 10 176.480 175.757 0.723 1 1 50 . 9 1 1 A 11 11 MET N N 11 120.428 121.865 -1.437 1 1 51 . 9 1 1 A 11 11 MET H H 11 8.340 8.842 -0.502 1 1 52 . 9 1 1 A 11 11 MET CA C 11 55.757 54.654 1.103 1 1 53 . 9 1 1 A 11 11 MET HA H 11 4.418 4.975 -0.557 1 1 54 . 9 1 1 A 11 11 MET CB C 11 32.457 36.703 -4.246 1 1 62 . 9 1 1 A 11 11 MET C C 11 176.391 174.189 2.202 1 1 65 . 9 1 1 A 12 12 ASN N N 12 118.914 122.938 -4.024 1 1 66 . 9 1 1 A 12 12 ASN H H 12 8.416 8.869 -0.453 1 1 67 . 9 1 1 A 12 12 ASN CA C 12 53.687 52.442 1.245 1 1 68 . 9 1 1 A 12 12 ASN HA H 12 4.660 5.182 -0.522 1 1 69 . 9 1 1 A 12 12 ASN CB C 12 38.924 39.926 -1.002 1 1 74 . 9 1 1 A 12 12 ASN C C 12 175.770 175.023 0.747 1 1 76 . 9 1 1 A 13 13 GLY N N 13 108.888 112.106 -3.218 1 1 77 . 9 1 1 A 13 13 GLY H H 13 8.317 8.957 -0.640 1 1 78 . 9 1 1 A 13 13 GLY CA C 13 45.658 43.816 1.842 1 1 79 . 9 1 1 A 13 13 GLY HA3 H 13 3.920 4.179 -0.259 1 1 80 . 9 1 1 A 13 13 GLY C C 13 174.275 172.364 1.911 1 1 81 . 9 1 1 A 13 13 GLY HA2 H 13 3.920 4.175 -0.255 1 1 82 . 9 1 1 A 14 14 LEU N N 14 120.990 121.908 -0.918 1 1 83 . 9 1 1 A 14 14 LEU H H 14 8.015 8.539 -0.524 1 1 84 . 9 1 1 A 14 14 LEU CA C 14 55.074 55.116 -0.042 1 1 85 . 9 1 1 A 14 14 LEU HA H 14 4.283 4.330 -0.047 1 1 86 . 9 1 1 A 14 14 LEU CB C 14 42.572 40.449 2.123 1 1 98 . 9 1 1 A 14 14 LEU C C 14 177.365 177.346 0.019 1 1 100 . 9 1 1 A 15 15 GLY N N 15 107.853 112.332 -4.479 1 1 101 . 9 1 1 A 15 15 GLY H H 15 8.198 8.109 0.089 1 1 102 . 9 1 1 A 15 15 GLY CA C 15 44.968 45.360 -0.392 1 1 103 . 9 1 1 A 15 15 GLY HA3 H 15 3.823 3.815 0.008 1 1 104 . 9 1 1 A 15 15 GLY C C 15 173.829 172.367 1.462 1 1 105 . 9 1 1 A 15 15 GLY HA2 H 15 3.783 3.689 0.094 1 1 106 . 9 1 1 A 16 16 PHE N N 16 118.501 120.097 -1.596 1 1 107 . 9 1 1 A 16 16 PHE H H 16 7.868 8.234 -0.366 1 1 108 . 9 1 1 A 16 16 PHE CA C 16 57.837 56.255 1.582 1 1 109 . 9 1 1 A 16 16 PHE HA H 16 4.442 5.285 -0.843 1 1 110 . 9 1 1 A 16 16 PHE CB C 16 40.278 43.314 -3.036 1 1 122 . 9 1 1 A 16 16 PHE C C 16 176.569 174.786 1.783 1 1 124 . 9 1 1 A 17 17 LYS N N 17 126.087 123.096 2.991 1 1 125 . 9 1 1 A 17 17 LYS H H 17 8.611 8.467 0.144 1 1 126 . 9 1 1 A 17 17 LYS CA C 17 54.271 54.503 -0.232 1 1 127 . 9 1 1 A 17 17 LYS HA H 17 4.573 4.401 0.172 1 1 128 . 9 1 1 A 17 17 LYS CB C 17 32.818 33.035 -0.217 1 1 136 . 9 1 1 A 17 17 LYS C C 17 174.147 175.320 -1.173 1 1 141 . 9 1 1 A 18 18 PRO CA C 18 62.850 62.528 0.322 1 1 142 . 9 1 1 A 18 18 PRO HA H 18 4.647 4.720 -0.073 1 1 143 . 9 1 1 A 18 18 PRO CB C 18 31.990 32.591 -0.601 1 1 149 . 9 1 1 A 18 18 PRO C C 18 176.220 175.661 0.559 1 1 153 . 9 1 1 A 19 19 PHE N N 19 123.581 123.341 0.240 1 1 154 . 9 1 1 A 19 19 PHE H H 19 8.905 8.428 0.477 1 1 155 . 9 1 1 A 19 19 PHE CA C 19 57.402 56.104 1.298 1 1 156 . 9 1 1 A 19 19 PHE HA H 19 4.502 4.953 -0.451 1 1 157 . 9 1 1 A 19 19 PHE CB C 19 41.432 41.227 0.205 1 1 169 . 9 1 1 A 19 19 PHE C C 19 173.078 173.414 -0.336 1 1 171 . 9 1 1 A 20 20 ASP N N 20 126.229 125.332 0.897 1 1 172 . 9 1 1 A 20 20 ASP H H 20 7.412 8.823 -1.411 1 1 173 . 9 1 1 A 20 20 ASP CA C 20 52.686 52.520 0.166 1 1 174 . 9 1 1 A 20 20 ASP HA H 20 5.248 4.962 0.286 1 1 175 . 9 1 1 A 20 20 ASP CB C 20 44.081 42.106 1.975 1 1 177 . 9 1 1 A 20 20 ASP C C 20 174.098 174.294 -0.196 1 1 179 . 9 1 1 A 21 21 LEU N N 21 123.421 124.409 -0.988 1 1 180 . 9 1 1 A 21 21 LEU H H 21 8.641 8.362 0.279 1 1 181 . 9 1 1 A 21 21 LEU CA C 21 54.201 53.290 0.911 1 1 182 . 9 1 1 A 21 21 LEU HA H 21 4.367 5.051 -0.684 1 1 183 . 9 1 1 A 21 21 LEU CB C 21 46.118 46.283 -0.165 1 1 195 . 9 1 1 A 21 21 LEU C C 21 174.294 173.716 0.578 1 1 197 . 9 1 1 A 22 22 VAL N N 22 127.339 123.685 3.654 1 1 198 . 9 1 1 A 22 22 VAL H H 22 8.451 9.015 -0.564 1 1 199 . 9 1 1 A 22 22 VAL CA C 22 61.986 59.819 2.167 1 1 200 . 9 1 1 A 22 22 VAL HA H 22 4.572 5.080 -0.508 1 1 201 . 9 1 1 A 22 22 VAL CB C 22 32.276 34.155 -1.879 1 1 211 . 9 1 1 A 22 22 VAL C C 22 176.066 174.940 1.126 1 1 212 . 9 1 1 A 23 23 ILE N N 23 128.645 129.166 -0.521 1 1 213 . 9 1 1 A 23 23 ILE H H 23 8.998 8.280 0.718 1 1 214 . 9 1 1 A 23 23 ILE CA C 23 57.193 59.994 -2.801 1 1 215 . 9 1 1 A 23 23 ILE HA H 23 4.489 4.113 0.376 1 1 216 . 9 1 1 A 23 23 ILE CB C 23 38.455 38.037 0.418 1 1 228 . 9 1 1 A 23 23 ILE C C 23 175.434 176.526 -1.092 1 1 230 . 9 1 1 A 24 24 PRO CA C 24 63.319 65.410 -2.091 1 1 231 . 9 1 1 A 24 24 PRO HA H 24 4.600 4.354 0.246 1 1 232 . 9 1 1 A 24 24 PRO CB C 24 30.324 31.962 -1.638 1 1 238 . 9 1 1 A 24 24 PRO C C 24 174.946 176.725 -1.779 1 1 242 . 9 1 1 A 25 25 PHE N N 25 121.530 114.541 6.989 1 1 243 . 9 1 1 A 25 25 PHE H H 25 7.582 7.931 -0.349 1 1 244 . 9 1 1 A 25 25 PHE CA C 25 56.635 56.201 0.434 1 1 245 . 9 1 1 A 25 25 PHE HA H 25 4.552 4.538 0.014 1 1 246 . 9 1 1 A 25 25 PHE CB C 25 40.977 40.234 0.743 1 1 258 . 9 1 1 A 25 25 PHE C C 25 172.831 175.045 -2.214 1 1 260 . 9 1 1 A 26 26 ALA N N 26 124.526 123.130 1.396 1 1 261 . 9 1 1 A 26 26 ALA H H 26 7.993 8.575 -0.582 1 1 262 . 9 1 1 A 26 26 ALA CA C 26 52.074 50.803 1.271 1 1 263 . 9 1 1 A 26 26 ALA HA H 26 4.221 4.717 -0.496 1 1 264 . 9 1 1 A 26 26 ALA CB C 26 18.862 20.551 -1.689 1 1 268 . 9 1 1 A 26 26 ALA C C 26 176.973 176.241 0.732 1 1 269 . 9 1 1 A 27 27 VAL N N 27 118.422 118.810 -0.388 1 1 270 . 9 1 1 A 27 27 VAL H H 27 8.046 8.349 -0.303 1 1 271 . 9 1 1 A 27 27 VAL CA C 27 61.375 59.129 2.246 1 1 272 . 9 1 1 A 27 27 VAL HA H 27 4.248 4.440 -0.192 1 1 273 . 9 1 1 A 27 27 VAL CB C 27 34.179 35.241 -1.062 1 1 283 . 9 1 1 A 27 27 VAL C C 27 175.445 173.812 1.633 1 1 284 . 9 1 1 A 28 28 ARG N N 28 122.785 125.411 -2.626 1 1 285 . 9 1 1 A 28 28 ARG H H 28 8.275 8.555 -0.280 1 1 286 . 9 1 1 A 28 28 ARG CA C 28 55.407 54.402 1.005 1 1 287 . 9 1 1 A 28 28 ARG HA H 28 4.473 4.784 -0.311 1 1 288 . 9 1 1 A 28 28 ARG CB C 28 31.087 31.775 -0.688 1 1 294 . 9 1 1 A 28 28 ARG C C 28 176.528 175.969 0.559 1 1 298 . 9 1 1 A 29 29 LYS N N 29 121.704 125.686 -3.982 1 1 299 . 9 1 1 A 29 29 LYS H H 29 8.484 8.635 -0.151 1 1 300 . 9 1 1 A 29 29 LYS CA C 29 57.888 56.382 1.506 1 1 301 . 9 1 1 A 29 29 LYS HA H 29 4.170 4.089 0.081 1 1 302 . 9 1 1 A 29 29 LYS CB C 29 32.564 32.813 -0.249 1 1 310 . 9 1 1 A 29 29 LYS C C 29 177.124 177.026 0.098 1 1 315 . 9 1 1 A 30 30 GLY N N 30 109.946 109.900 0.046 1 1 316 . 9 1 1 A 30 30 GLY H H 30 8.546 8.794 -0.248 1 1 317 . 9 1 1 A 30 30 GLY CA C 30 45.408 45.515 -0.107 1 1 318 . 9 1 1 A 30 30 GLY HA3 H 30 4.060 4.004 0.056 1 1 319 . 9 1 1 A 30 30 GLY C C 30 173.961 175.168 -1.207 1 1 320 . 9 1 1 A 30 30 GLY HA2 H 30 3.981 3.994 -0.013 1 1 321 . 9 1 1 A 31 31 GLU N N 31 118.290 121.686 -3.396 1 1 322 . 9 1 1 A 31 31 GLU H H 31 8.088 8.450 -0.362 1 1 323 . 9 1 1 A 31 31 GLU CA C 31 56.979 56.295 0.684 1 1 324 . 9 1 1 A 31 31 GLU HA H 31 4.418 4.448 -0.030 1 1 325 . 9 1 1 A 31 31 GLU CB C 31 31.108 30.109 0.999 1 1 329 . 9 1 1 A 31 31 GLU C C 31 176.184 175.256 0.928 1 1 332 . 9 1 1 A 32 32 ILE N N 32 121.780 121.812 -0.032 1 1 333 . 9 1 1 A 32 32 ILE H H 32 8.155 7.465 0.690 1 1 334 . 9 1 1 A 32 32 ILE CA C 32 58.252 59.273 -1.021 1 1 335 . 9 1 1 A 32 32 ILE HA H 32 5.409 5.166 0.243 1 1 336 . 9 1 1 A 32 32 ILE CB C 32 39.008 42.423 -3.415 1 1 348 . 9 1 1 A 32 32 ILE C C 32 175.262 174.372 0.890 1 1 350 . 9 1 1 A 33 33 THR N N 33 117.063 116.418 0.645 1 1 351 . 9 1 1 A 33 33 THR H H 33 8.906 8.675 0.231 1 1 352 . 9 1 1 A 33 33 THR CA C 33 59.591 60.073 -0.482 1 1 353 . 9 1 1 A 33 33 THR HA H 33 4.707 5.179 -0.472 1 1 354 . 9 1 1 A 33 33 THR CB C 33 72.003 72.638 -0.635 1 1 360 . 9 1 1 A 33 33 THR C C 33 173.146 173.123 0.023 1 1 361 . 9 1 1 A 34 34 GLY N N 34 106.583 108.389 -1.806 1 1 362 . 9 1 1 A 34 34 GLY H H 34 8.603 8.503 0.100 1 1 363 . 9 1 1 A 34 34 GLY CA C 34 45.032 45.541 -0.509 1 1 364 . 9 1 1 A 34 34 GLY HA3 H 34 3.424 4.392 -0.968 1 1 365 . 9 1 1 A 34 34 GLY C C 34 172.260 172.182 0.078 1 1 366 . 9 1 1 A 34 34 GLY HA2 H 34 5.351 4.385 0.966 1 1 367 . 9 1 1 A 35 35 GLU N N 35 118.818 120.045 -1.227 1 1 368 . 9 1 1 A 35 35 GLU H H 35 8.756 8.597 0.159 1 1 369 . 9 1 1 A 35 35 GLU CA C 35 56.375 55.160 1.215 1 1 370 . 9 1 1 A 35 35 GLU HA H 35 4.739 5.167 -0.428 1 1 371 . 9 1 1 A 35 35 GLU CB C 35 34.673 33.940 0.733 1 1 375 . 9 1 1 A 35 35 GLU C C 35 173.645 174.444 -0.799 1 1 378 . 9 1 1 A 36 36 VAL N N 36 124.835 123.939 0.896 1 1 379 . 9 1 1 A 36 36 VAL H H 36 9.291 8.854 0.437 1 1 380 . 9 1 1 A 36 36 VAL CA C 36 60.780 61.539 -0.759 1 1 381 . 9 1 1 A 36 36 VAL HA H 36 4.751 4.761 -0.010 1 1 382 . 9 1 1 A 36 36 VAL CB C 36 33.990 34.364 -0.374 1 1 392 . 9 1 1 A 36 36 VAL C C 36 174.137 174.700 -0.563 1 1 393 . 9 1 1 A 37 37 HIS N N 37 126.324 125.539 0.785 1 1 394 . 9 1 1 A 37 37 HIS H H 37 9.294 9.127 0.167 1 1 395 . 9 1 1 A 37 37 HIS CA C 37 54.625 55.376 -0.751 1 1 396 . 9 1 1 A 37 37 HIS HA H 37 4.751 5.039 -0.288 1 1 397 . 9 1 1 A 37 37 HIS CB C 37 30.676 31.281 -0.605 1 1 403 . 9 1 1 A 37 37 HIS C C 37 174.317 174.582 -0.265 1 1 405 . 9 1 1 A 38 38 MET N N 38 122.552 123.362 -0.810 1 1 406 . 9 1 1 A 38 38 MET H H 38 8.303 9.105 -0.802 1 1 407 . 9 1 1 A 38 38 MET CA C 38 54.086 54.525 -0.439 1 1 408 . 9 1 1 A 38 38 MET HA H 38 4.089 4.634 -0.545 1 1 409 . 9 1 1 A 38 38 MET CB C 38 32.900 32.473 0.427 1 1 417 . 9 1 1 A 38 38 MET C C 38 174.851 175.912 -1.061 1 1 420 . 9 1 1 A 39 39 PRO CA C 39 65.874 64.352 1.522 1 1 421 . 9 1 1 A 39 39 PRO HA H 39 4.156 4.297 -0.141 1 1 422 . 9 1 1 A 39 39 PRO CB C 39 31.312 31.893 -0.581 1 1 428 . 9 1 1 A 39 39 PRO C C 39 178.047 177.596 0.451 1 1 432 . 9 1 1 A 40 40 SER N N 40 111.214 111.729 -0.515 1 1 433 . 9 1 1 A 40 40 SER H H 40 8.759 7.765 0.994 1 1 434 . 9 1 1 A 40 40 SER CA C 40 59.667 58.675 0.992 1 1 435 . 9 1 1 A 40 40 SER HA H 40 4.089 4.444 -0.355 1 1 436 . 9 1 1 A 40 40 SER CB C 40 62.726 63.537 -0.811 1 1 438 . 9 1 1 A 40 40 SER C C 40 176.300 174.494 1.806 1 1 440 . 9 1 1 A 41 41 GLY N N 41 111.180 108.986 2.194 1 1 441 . 9 1 1 A 41 41 GLY H H 41 8.293 8.010 0.283 1 1 442 . 9 1 1 A 41 41 GLY CA C 41 44.624 45.070 -0.446 1 1 443 . 9 1 1 A 41 41 GLY HA3 H 41 3.620 4.026 -0.406 1 1 444 . 9 1 1 A 41 41 GLY C C 41 174.516 173.836 0.680 1 1 445 . 9 1 1 A 41 41 GLY HA2 H 41 4.447 4.019 0.428 1 1 446 . 9 1 1 A 42 42 LYS N N 42 120.452 119.702 0.750 1 1 447 . 9 1 1 A 42 42 LYS H H 42 7.038 7.753 -0.715 1 1 448 . 9 1 1 A 42 42 LYS CA C 42 56.944 54.255 2.689 1 1 449 . 9 1 1 A 42 42 LYS HA H 42 4.286 4.733 -0.447 1 1 450 . 9 1 1 A 42 42 LYS CB C 42 33.719 35.183 -1.464 1 1 457 . 9 1 1 A 42 42 LYS C C 42 175.050 175.161 -0.111 1 1 462 . 9 1 1 A 43 43 THR N N 43 111.705 112.083 -0.378 1 1 463 . 9 1 1 A 43 43 THR H H 43 8.110 8.884 -0.774 1 1 464 . 9 1 1 A 43 43 THR CA C 43 59.653 59.880 -0.227 1 1 465 . 9 1 1 A 43 43 THR HA H 43 5.450 5.307 0.143 1 1 466 . 9 1 1 A 43 43 THR CB C 43 71.842 71.947 -0.105 1 1 472 . 9 1 1 A 43 43 THR C C 43 174.054 173.286 0.768 1 1 473 . 9 1 1 A 44 44 ALA N N 44 123.338 122.194 1.144 1 1 474 . 9 1 1 A 44 44 ALA H H 44 8.683 8.576 0.107 1 1 475 . 9 1 1 A 44 44 ALA CA C 44 50.752 51.577 -0.825 1 1 476 . 9 1 1 A 44 44 ALA HA H 44 4.798 4.860 -0.062 1 1 477 . 9 1 1 A 44 44 ALA CB C 44 24.091 23.168 0.923 1 1 481 . 9 1 1 A 44 44 ALA C C 44 175.947 175.933 0.014 1 1 482 . 9 1 1 A 45 45 THR N N 45 117.733 112.001 5.732 1 1 483 . 9 1 1 A 45 45 THR H H 45 8.934 8.556 0.378 1 1 484 . 9 1 1 A 45 45 THR CA C 45 59.517 59.197 0.320 1 1 485 . 9 1 1 A 45 45 THR HA H 45 4.894 4.844 0.050 1 1 486 . 9 1 1 A 45 45 THR CB C 45 70.403 69.730 0.673 1 1 492 . 9 1 1 A 45 45 THR C C 45 173.394 173.394 0.000 1 1 493 . 9 1 1 A 46 46 PRO CA C 46 62.017 62.328 -0.311 1 1 494 . 9 1 1 A 46 46 PRO HA H 46 4.978 4.678 0.300 1 1 495 . 9 1 1 A 46 46 PRO CB C 46 32.885 32.969 -0.084 1 1 501 . 9 1 1 A 46 46 PRO C C 46 173.937 175.913 -1.976 1 1 505 . 9 1 1 A 47 47 GLU N N 47 120.450 120.321 0.129 1 1 506 . 9 1 1 A 47 47 GLU H H 47 8.894 8.907 -0.013 1 1 507 . 9 1 1 A 47 47 GLU CA C 47 56.040 55.240 0.800 1 1 508 . 9 1 1 A 47 47 GLU HA H 47 4.409 4.601 -0.192 1 1 509 . 9 1 1 A 47 47 GLU CB C 47 31.436 30.836 0.600 1 1 513 . 9 1 1 A 47 47 GLU C C 47 175.160 175.135 0.025 1 1 516 . 9 1 1 A 48 48 ILE N N 48 124.818 128.195 -3.377 1 1 517 . 9 1 1 A 48 48 ILE H H 48 8.467 8.836 -0.369 1 1 518 . 9 1 1 A 48 48 ILE CA C 48 60.408 60.127 0.281 1 1 519 . 9 1 1 A 48 48 ILE HA H 48 4.727 4.548 0.179 1 1 520 . 9 1 1 A 48 48 ILE CB C 48 38.177 37.009 1.168 1 1 532 . 9 1 1 A 48 48 ILE C C 48 175.681 174.903 0.778 1 1 534 . 9 1 1 A 49 49 VAL N N 49 129.411 128.006 1.405 1 1 535 . 9 1 1 A 49 49 VAL H H 49 9.417 8.850 0.567 1 1 536 . 9 1 1 A 49 49 VAL CA C 49 61.259 60.741 0.518 1 1 537 . 9 1 1 A 49 49 VAL HA H 49 4.188 4.663 -0.475 1 1 538 . 9 1 1 A 49 49 VAL CB C 49 34.719 34.560 0.159 1 1 548 . 9 1 1 A 49 49 VAL C C 49 174.654 173.699 0.955 1 1 549 . 9 1 1 A 50 50 ASP N N 50 125.078 127.878 -2.800 1 1 550 . 9 1 1 A 50 50 ASP H H 50 8.664 8.770 -0.106 1 1 551 . 9 1 1 A 50 50 ASP CA C 50 53.899 52.601 1.298 1 1 552 . 9 1 1 A 50 50 ASP HA H 50 4.683 5.214 -0.531 1 1 553 . 9 1 1 A 50 50 ASP CB C 50 41.270 41.876 -0.606 1 1 555 . 9 1 1 A 50 50 ASP C C 50 176.440 175.624 0.816 1 1 557 . 9 1 1 A 51 51 ASN N N 51 123.926 125.528 -1.602 1 1 558 . 9 1 1 A 51 51 ASN H H 51 8.212 8.806 -0.594 1 1 559 . 9 1 1 A 51 51 ASN CA C 51 53.917 53.714 0.203 1 1 560 . 9 1 1 A 51 51 ASN HA H 51 4.703 4.622 0.081 1 1 561 . 9 1 1 A 51 51 ASN CB C 51 38.667 39.486 -0.819 1 1 566 . 9 1 1 A 51 51 ASN C C 51 176.260 175.824 0.436 1 1 568 . 9 1 1 A 52 52 LYS N N 52 115.640 121.322 -5.682 1 1 569 . 9 1 1 A 52 52 LYS H H 52 9.145 9.023 0.122 1 1 570 . 9 1 1 A 52 52 LYS CA C 52 58.127 56.590 1.537 1 1 571 . 9 1 1 A 52 52 LYS HA H 52 4.040 4.424 -0.384 1 1 572 . 9 1 1 A 52 52 LYS CB C 52 29.405 32.196 -2.791 1 1 580 . 9 1 1 A 52 52 LYS C C 52 175.471 176.575 -1.104 1 1 585 . 9 1 1 A 53 53 ASP N N 53 117.607 117.447 0.160 1 1 586 . 9 1 1 A 53 53 ASP H H 53 7.824 7.798 0.026 1 1 587 . 9 1 1 A 53 53 ASP CA C 53 52.598 53.613 -1.015 1 1 588 . 9 1 1 A 53 53 ASP HA H 53 4.690 4.791 -0.101 1 1 589 . 9 1 1 A 53 53 ASP CB C 53 40.929 43.132 -2.203 1 1 591 . 9 1 1 A 53 53 ASP C C 53 177.173 176.665 0.508 1 1 593 . 9 1 1 A 54 54 GLY N N 54 108.692 106.072 2.620 1 1 594 . 9 1 1 A 54 54 GLY H H 54 8.548 8.131 0.417 1 1 595 . 9 1 1 A 54 54 GLY CA C 54 45.161 45.145 0.016 1 1 596 . 9 1 1 A 54 54 GLY HA3 H 54 3.653 4.006 -0.353 1 1 597 . 9 1 1 A 54 54 GLY C C 54 173.737 173.573 0.164 1 1 598 . 9 1 1 A 54 54 GLY HA2 H 54 4.372 4.002 0.370 1 1 599 . 9 1 1 A 55 55 THR N N 55 110.165 110.002 0.163 1 1 600 . 9 1 1 A 55 55 THR H H 55 7.929 7.520 0.409 1 1 601 . 9 1 1 A 55 55 THR CA C 55 60.412 59.406 1.006 1 1 602 . 9 1 1 A 55 55 THR HA H 55 5.100 4.866 0.234 1 1 603 . 9 1 1 A 55 55 THR CB C 55 73.027 72.640 0.387 1 1 609 . 9 1 1 A 55 55 THR C C 55 174.206 173.075 1.131 1 1 610 . 9 1 1 A 56 56 VAL N N 56 115.822 120.813 -4.991 1 1 611 . 9 1 1 A 56 56 VAL H H 56 8.581 8.428 0.153 1 1 612 . 9 1 1 A 56 56 VAL CA C 56 59.608 60.155 -0.547 1 1 613 . 9 1 1 A 56 56 VAL HA H 56 5.132 5.351 -0.219 1 1 614 . 9 1 1 A 56 56 VAL CB C 56 35.607 34.845 0.762 1 1 624 . 9 1 1 A 56 56 VAL C C 56 174.437 175.068 -0.631 1 1 625 . 9 1 1 A 57 57 THR N N 57 120.574 122.285 -1.711 1 1 626 . 9 1 1 A 57 57 THR H H 57 9.151 8.823 0.328 1 1 627 . 9 1 1 A 57 57 THR CA C 57 61.543 61.712 -0.169 1 1 628 . 9 1 1 A 57 57 THR HA H 57 5.021 5.184 -0.163 1 1 629 . 9 1 1 A 57 57 THR CB C 57 71.080 70.824 0.256 1 1 635 . 9 1 1 A 57 57 THR C C 57 173.190 173.534 -0.344 1 1 636 . 9 1 1 A 58 58 VAL N N 58 127.832 127.689 0.143 1 1 637 . 9 1 1 A 58 58 VAL H H 58 9.296 9.223 0.073 1 1 638 . 9 1 1 A 58 58 VAL CA C 58 61.204 62.158 -0.954 1 1 639 . 9 1 1 A 58 58 VAL HA H 58 4.774 4.826 -0.052 1 1 640 . 9 1 1 A 58 58 VAL CB C 58 32.626 30.844 1.782 1 1 650 . 9 1 1 A 58 58 VAL C C 58 173.991 174.843 -0.852 1 1 651 . 9 1 1 A 59 59 ARG N N 59 126.761 129.042 -2.281 1 1 652 . 9 1 1 A 59 59 ARG H H 59 9.190 8.522 0.668 1 1 653 . 9 1 1 A 59 59 ARG CA C 59 54.384 54.206 0.178 1 1 654 . 9 1 1 A 59 59 ARG HA H 59 5.488 5.303 0.185 1 1 655 . 9 1 1 A 59 59 ARG CB C 59 34.262 33.532 0.730 1 1 661 . 9 1 1 A 59 59 ARG C C 59 174.849 174.233 0.616 1 1 665 . 9 1 1 A 60 60 TYR N N 60 123.838 125.531 -1.693 1 1 666 . 9 1 1 A 60 60 TYR H H 60 9.164 8.426 0.738 1 1 667 . 9 1 1 A 60 60 TYR CA C 60 56.684 57.902 -1.218 1 1 668 . 9 1 1 A 60 60 TYR HA H 60 5.024 4.971 0.053 1 1 669 . 9 1 1 A 60 60 TYR CB C 60 42.761 42.197 0.564 1 1 675 . 9 1 1 A 60 60 TYR C C 60 171.861 173.558 -1.697 1 1 677 . 9 1 1 A 61 61 ALA N N 61 134.382 129.349 5.033 1 1 678 . 9 1 1 A 61 61 ALA H H 61 8.023 8.321 -0.298 1 1 679 . 9 1 1 A 61 61 ALA CA C 61 47.869 48.325 -0.456 1 1 680 . 9 1 1 A 61 61 ALA HA H 61 4.670 4.474 0.196 1 1 681 . 9 1 1 A 61 61 ALA CB C 61 18.685 20.409 -1.724 1 1 685 . 9 1 1 A 61 61 ALA C C 61 172.714 175.394 -2.680 1 1 686 . 9 1 1 A 62 62 PRO CA C 62 62.455 62.539 -0.084 1 1 687 . 9 1 1 A 62 62 PRO HA H 62 4.137 4.459 -0.322 1 1 688 . 9 1 1 A 62 62 PRO CB C 62 33.972 31.898 2.074 1 1 694 . 9 1 1 A 62 62 PRO C C 62 175.567 176.983 -1.416 1 1 698 . 9 1 1 A 63 63 THR N N 63 106.145 111.557 -5.412 1 1 699 . 9 1 1 A 63 63 THR H H 63 8.819 8.525 0.294 1 1 700 . 9 1 1 A 63 63 THR CA C 63 60.795 62.304 -1.509 1 1 701 . 9 1 1 A 63 63 THR HA H 63 4.278 4.534 -0.256 1 1 702 . 9 1 1 A 63 63 THR CB C 63 70.379 69.589 0.790 1 1 708 . 9 1 1 A 63 63 THR C C 63 173.771 175.172 -1.401 1 1 709 . 9 1 1 A 64 64 GLU N N 64 119.851 120.075 -0.224 1 1 710 . 9 1 1 A 64 64 GLU H H 64 7.217 7.768 -0.551 1 1 711 . 9 1 1 A 64 64 GLU CA C 64 54.483 54.652 -0.169 1 1 712 . 9 1 1 A 64 64 GLU HA H 64 4.560 5.079 -0.519 1 1 713 . 9 1 1 A 64 64 GLU CB C 64 33.675 34.178 -0.503 1 1 717 . 9 1 1 A 64 64 GLU C C 64 173.177 175.299 -2.122 1 1 720 . 9 1 1 A 65 65 VAL N N 65 114.914 118.801 -3.887 1 1 721 . 9 1 1 A 65 65 VAL H H 65 7.740 8.456 -0.716 1 1 722 . 9 1 1 A 65 65 VAL CA C 65 61.412 60.455 0.957 1 1 723 . 9 1 1 A 65 65 VAL HA H 65 3.730 4.273 -0.543 1 1 724 . 9 1 1 A 65 65 VAL CB C 65 33.477 33.635 -0.158 1 1 734 . 9 1 1 A 65 65 VAL C C 65 176.588 174.533 2.055 1 1 735 . 9 1 1 A 66 66 GLY N N 66 108.948 108.343 0.605 1 1 736 . 9 1 1 A 66 66 GLY H H 66 8.821 7.323 1.498 1 1 737 . 9 1 1 A 66 66 GLY CA C 66 43.304 43.753 -0.449 1 1 738 . 9 1 1 A 66 66 GLY HA3 H 66 4.468 3.902 0.566 1 1 739 . 9 1 1 A 66 66 GLY C C 66 175.811 171.612 4.199 1 1 740 . 9 1 1 A 66 66 GLY HA2 H 66 3.184 3.761 -0.577 1 1 741 . 9 1 1 A 67 67 LEU N N 67 126.594 122.373 4.221 1 1 742 . 9 1 1 A 67 67 LEU H H 67 9.023 8.279 0.744 1 1 743 . 9 1 1 A 67 67 LEU CA C 67 56.432 53.329 3.103 1 1 744 . 9 1 1 A 67 67 LEU HA H 67 4.137 4.949 -0.812 1 1 745 . 9 1 1 A 67 67 LEU CB C 67 41.933 44.338 -2.405 1 1 757 . 9 1 1 A 67 67 LEU C C 67 174.817 174.675 0.142 1 1 759 . 9 1 1 A 68 68 HIS N N 68 127.130 126.167 0.963 1 1 760 . 9 1 1 A 68 68 HIS H H 68 9.165 8.301 0.864 1 1 761 . 9 1 1 A 68 68 HIS CA C 68 54.518 54.628 -0.110 1 1 762 . 9 1 1 A 68 68 HIS HA H 68 4.562 5.081 -0.519 1 1 763 . 9 1 1 A 68 68 HIS CB C 68 32.159 31.216 0.943 1 1 769 . 9 1 1 A 68 68 HIS C C 68 173.717 173.618 0.099 1 1 771 . 9 1 1 A 69 69 GLU N N 69 116.428 123.881 -7.453 1 1 772 . 9 1 1 A 69 69 GLU H H 69 8.096 8.710 -0.614 1 1 773 . 9 1 1 A 69 69 GLU CA C 69 54.625 54.886 -0.261 1 1 774 . 9 1 1 A 69 69 GLU HA H 69 5.274 5.318 -0.044 1 1 775 . 9 1 1 A 69 69 GLU CB C 69 34.361 32.799 1.562 1 1 779 . 9 1 1 A 69 69 GLU C C 69 174.811 175.158 -0.347 1 1 782 . 9 1 1 A 70 70 MET N N 70 126.104 127.901 -1.797 1 1 783 . 9 1 1 A 70 70 MET H H 70 9.874 9.188 0.686 1 1 784 . 9 1 1 A 70 70 MET CA C 70 54.399 54.617 -0.218 1 1 785 . 9 1 1 A 70 70 MET HA H 70 5.272 5.311 -0.039 1 1 786 . 9 1 1 A 70 70 MET CB C 70 36.158 34.440 1.718 1 1 794 . 9 1 1 A 70 70 MET C C 70 173.699 175.197 -1.498 1 1 797 . 9 1 1 A 71 71 HIS N N 71 129.007 123.129 5.878 1 1 798 . 9 1 1 A 71 71 HIS H H 71 9.533 9.404 0.129 1 1 799 . 9 1 1 A 71 71 HIS CA C 71 54.201 54.360 -0.159 1 1 800 . 9 1 1 A 71 71 HIS HA H 71 5.273 5.179 0.094 1 1 801 . 9 1 1 A 71 71 HIS CB C 71 33.546 31.702 1.844 1 1 807 . 9 1 1 A 71 71 HIS C C 71 174.997 173.799 1.198 1 1 809 . 9 1 1 A 72 72 ILE N N 72 126.123 124.574 1.549 1 1 810 . 9 1 1 A 72 72 ILE H H 72 9.842 9.014 0.828 1 1 811 . 9 1 1 A 72 72 ILE CA C 72 60.037 60.051 -0.014 1 1 812 . 9 1 1 A 72 72 ILE HA H 72 4.885 4.841 0.044 1 1 813 . 9 1 1 A 72 72 ILE CB C 72 40.102 40.428 -0.326 1 1 825 . 9 1 1 A 72 72 ILE C C 72 173.955 175.406 -1.451 1 1 827 . 9 1 1 A 73 73 LYS N N 73 124.414 126.157 -1.743 1 1 828 . 9 1 1 A 73 73 LYS H H 73 8.854 8.642 0.212 1 1 829 . 9 1 1 A 73 73 LYS CA C 73 54.200 54.871 -0.671 1 1 830 . 9 1 1 A 73 73 LYS HA H 73 4.964 5.028 -0.064 1 1 831 . 9 1 1 A 73 73 LYS CB C 73 36.335 35.243 1.092 1 1 839 . 9 1 1 A 73 73 LYS C C 73 174.360 174.364 -0.004 1 1 844 . 9 1 1 A 74 74 TYR N N 74 121.190 126.588 -5.398 1 1 845 . 9 1 1 A 74 74 TYR H H 74 8.979 9.052 -0.073 1 1 846 . 9 1 1 A 74 74 TYR CA C 74 55.271 57.663 -2.392 1 1 847 . 9 1 1 A 74 74 TYR HA H 74 5.365 4.829 0.536 1 1 848 . 9 1 1 A 74 74 TYR CB C 74 41.143 39.927 1.216 1 1 858 . 9 1 1 A 74 74 TYR C C 74 175.646 174.933 0.713 1 1 860 . 9 1 1 A 75 75 MET N N 75 125.219 127.040 -1.821 1 1 861 . 9 1 1 A 75 75 MET H H 75 9.096 9.696 -0.600 1 1 862 . 9 1 1 A 75 75 MET CA C 75 56.166 56.615 -0.449 1 1 863 . 9 1 1 A 75 75 MET HA H 75 3.920 4.448 -0.528 1 1 864 . 9 1 1 A 75 75 MET CB C 75 29.423 31.118 -1.695 1 1 872 . 9 1 1 A 75 75 MET C C 75 176.809 176.301 0.508 1 1 875 . 9 1 1 A 76 76 GLY N N 76 102.874 104.532 -1.658 1 1 876 . 9 1 1 A 76 76 GLY H H 76 8.573 8.623 -0.050 1 1 877 . 9 1 1 A 76 76 GLY CA C 76 45.421 46.287 -0.866 1 1 878 . 9 1 1 A 76 76 GLY HA3 H 76 4.221 3.900 0.321 1 1 879 . 9 1 1 A 76 76 GLY C C 76 174.014 173.762 0.252 1 1 880 . 9 1 1 A 76 76 GLY HA2 H 76 3.471 3.884 -0.413 1 1 881 . 9 1 1 A 77 77 SER N N 77 115.868 114.865 1.003 1 1 882 . 9 1 1 A 77 77 SER H H 77 7.609 7.604 0.005 1 1 883 . 9 1 1 A 77 77 SER CA C 77 56.956 57.623 -0.667 1 1 884 . 9 1 1 A 77 77 SER HA H 77 4.935 4.846 0.089 1 1 885 . 9 1 1 A 77 77 SER CB C 77 65.336 65.998 -0.662 1 1 887 . 9 1 1 A 77 77 SER C C 77 173.677 173.145 0.532 1 1 889 . 9 1 1 A 78 78 HIS N N 78 124.606 124.446 0.160 1 1 890 . 9 1 1 A 78 78 HIS H H 78 8.751 8.860 -0.109 1 1 891 . 9 1 1 A 78 78 HIS CA C 78 59.005 57.429 1.576 1 1 892 . 9 1 1 A 78 78 HIS HA H 78 4.617 4.739 -0.122 1 1 893 . 9 1 1 A 78 78 HIS CB C 78 32.066 30.829 1.237 1 1 899 . 9 1 1 A 78 78 HIS C C 78 178.429 175.725 2.704 1 1 901 . 9 1 1 A 79 79 ILE N N 79 117.547 119.407 -1.860 1 1 902 . 9 1 1 A 79 79 ILE H H 79 8.102 8.096 0.006 1 1 903 . 9 1 1 A 79 79 ILE CA C 79 61.442 58.663 2.779 1 1 904 . 9 1 1 A 79 79 ILE HA H 79 4.737 4.580 0.157 1 1 905 . 9 1 1 A 79 79 ILE CB C 79 35.644 38.383 -2.739 1 1 917 . 9 1 1 A 79 79 ILE C C 79 174.657 176.253 -1.596 1 1 919 . 9 1 1 A 80 80 PRO CA C 80 66.398 64.289 2.109 1 1 920 . 9 1 1 A 80 80 PRO HA H 80 4.296 4.533 -0.237 1 1 921 . 9 1 1 A 80 80 PRO CB C 80 31.380 31.568 -0.188 1 1 927 . 9 1 1 A 80 80 PRO C C 80 177.763 176.879 0.884 1 1 931 . 9 1 1 A 81 81 GLU N N 81 114.279 117.601 -3.322 1 1 932 . 9 1 1 A 81 81 GLU H H 81 8.913 8.377 0.536 1 1 933 . 9 1 1 A 81 81 GLU CA C 81 58.285 56.598 1.687 1 1 934 . 9 1 1 A 81 81 GLU HA H 81 4.043 4.581 -0.538 1 1 935 . 9 1 1 A 81 81 GLU CB C 81 29.010 31.170 -2.160 1 1 939 . 9 1 1 A 81 81 GLU C C 81 174.743 175.760 -1.017 1 1 942 . 9 1 1 A 82 82 SER N N 82 112.700 116.048 -3.348 1 1 943 . 9 1 1 A 82 82 SER H H 82 7.918 7.719 0.199 1 1 944 . 9 1 1 A 82 82 SER CA C 82 54.519 55.885 -1.366 1 1 945 . 9 1 1 A 82 82 SER HA H 82 4.798 4.935 -0.137 1 1 946 . 9 1 1 A 82 82 SER CB C 82 64.077 66.016 -1.939 1 1 948 . 9 1 1 A 82 82 SER C C 82 173.394 171.597 1.797 1 1 950 . 9 1 1 A 83 83 PRO CA C 83 62.597 62.674 -0.077 1 1 951 . 9 1 1 A 83 83 PRO HA H 83 5.247 4.666 0.581 1 1 952 . 9 1 1 A 83 83 PRO CB C 83 34.681 32.464 2.217 1 1 958 . 9 1 1 A 83 83 PRO C C 83 175.783 176.361 -0.578 1 1 962 . 9 1 1 A 84 84 LEU N N 84 123.427 117.152 6.275 1 1 963 . 9 1 1 A 84 84 LEU H H 84 9.099 7.985 1.114 1 1 964 . 9 1 1 A 84 84 LEU CA C 84 54.413 52.299 2.114 1 1 965 . 9 1 1 A 84 84 LEU HA H 84 4.893 5.322 -0.429 1 1 966 . 9 1 1 A 84 84 LEU CB C 84 44.452 46.232 -1.780 1 1 978 . 9 1 1 A 84 84 LEU C C 84 176.054 175.819 0.235 1 1 980 . 9 1 1 A 85 85 GLN N N 85 122.438 118.450 3.988 1 1 981 . 9 1 1 A 85 85 GLN H H 85 8.869 8.584 0.285 1 1 982 . 9 1 1 A 85 85 GLN CA C 85 54.811 54.324 0.487 1 1 983 . 9 1 1 A 85 85 GLN HA H 85 5.359 5.447 -0.088 1 1 984 . 9 1 1 A 85 85 GLN CB C 85 30.972 32.641 -1.669 1 1 991 . 9 1 1 A 85 85 GLN C C 85 175.687 174.698 0.989 1 1 994 . 9 1 1 A 86 86 PHE N N 86 118.108 119.217 -1.109 1 1 995 . 9 1 1 A 86 86 PHE H H 86 8.483 8.451 0.032 1 1 996 . 9 1 1 A 86 86 PHE CA C 86 56.104 55.442 0.662 1 1 997 . 9 1 1 A 86 86 PHE HA H 86 4.917 5.531 -0.614 1 1 998 . 9 1 1 A 86 86 PHE CB C 86 40.732 41.780 -1.048 1 1 1010 . 9 1 1 A 86 86 PHE C C 86 171.607 172.721 -1.114 1 1 1012 . 9 1 1 A 87 87 TYR N N 87 124.521 125.544 -1.023 1 1 1013 . 9 1 1 A 87 87 TYR H H 87 9.179 9.072 0.107 1 1 1014 . 9 1 1 A 87 87 TYR CA C 87 57.832 58.007 -0.175 1 1 1015 . 9 1 1 A 87 87 TYR HA H 87 4.643 5.108 -0.465 1 1 1016 . 9 1 1 A 87 87 TYR CB C 87 40.731 39.797 0.934 1 1 1026 . 9 1 1 A 87 87 TYR C C 87 175.145 174.052 1.093 1 1 1028 . 9 1 1 A 88 88 VAL N N 88 129.828 127.220 2.608 1 1 1029 . 9 1 1 A 88 88 VAL H H 88 7.865 8.115 -0.250 1 1 1030 . 9 1 1 A 88 88 VAL CA C 88 61.875 61.113 0.762 1 1 1031 . 9 1 1 A 88 88 VAL HA H 88 4.219 4.504 -0.285 1 1 1032 . 9 1 1 A 88 88 VAL CB C 88 32.943 32.815 0.128 1 1 1042 . 9 1 1 A 88 88 VAL C C 88 174.472 174.516 -0.044 1 1 1043 . 9 1 1 A 89 89 ASN N N 89 124.798 126.082 -1.284 1 1 1044 . 9 1 1 A 89 89 ASN H H 89 8.649 8.854 -0.205 1 1 1045 . 9 1 1 A 89 89 ASN CA C 89 52.062 51.379 0.683 1 1 1046 . 9 1 1 A 89 89 ASN HA H 89 5.024 5.283 -0.259 1 1 1047 . 9 1 1 A 89 89 ASN CB C 89 41.470 41.139 0.331 1 1 1052 . 9 1 1 A 89 89 ASN C C 89 175.232 174.203 1.029 1 1 1054 . 9 1 1 A 90 90 TYR N N 90 119.662 124.485 -4.823 1 1 1055 . 9 1 1 A 90 90 TYR H H 90 8.559 8.966 -0.407 1 1 1056 . 9 1 1 A 90 90 TYR CA C 90 58.020 57.326 0.694 1 1 1057 . 9 1 1 A 90 90 TYR HA H 90 4.485 4.844 -0.359 1 1 1058 . 9 1 1 A 90 90 TYR CB C 90 37.880 39.845 -1.965 1 1 1068 . 9 1 1 A 90 90 TYR C C 90 174.972 174.809 0.163 1 1 1070 . 9 1 1 A 91 91 PRO CA C 91 63.396 62.595 0.801 1 1 1071 . 9 1 1 A 91 91 PRO HA H 91 4.337 4.644 -0.307 1 1 1072 . 9 1 1 A 91 91 PRO CB C 91 32.028 31.712 0.316 1 1 1081 . 9 1 1 A 92 92 ASN N N 92 118.175 121.412 -3.237 1 1 1082 . 9 1 1 A 92 92 ASN H H 92 8.429 8.259 0.170 1 1 1083 . 9 1 1 A 92 92 ASN CA C 92 53.343 54.016 -0.673 1 1 1084 . 9 1 1 A 92 92 ASN HA H 92 4.691 4.886 -0.195 1 1 1085 . 9 1 1 A 92 92 ASN CB C 92 39.000 39.164 -0.164 1 1 1091 . 9 1 1 A 93 93 SER N N 93 115.984 115.018 0.966 1 1 1092 . 9 1 1 A 93 93 SER H H 93 8.344 8.427 -0.083 1 1 1093 . 9 1 1 A 93 93 SER CA C 93 58.618 56.423 2.195 1 1 1094 . 9 1 1 A 93 93 SER HA H 93 4.474 4.990 -0.516 1 1 1095 . 9 1 1 A 93 93 SER CB C 93 63.894 66.195 -2.301 1 1 1098 . 9 1 1 A 94 94 GLY N N 94 111.442 110.641 0.801 1 1 1099 . 9 1 1 A 94 94 GLY H H 94 8.499 8.735 -0.236 1 1 1100 . 9 1 1 A 94 94 GLY CA C 94 45.417 47.194 -1.777 1 1 1101 . 9 1 1 A 94 94 GLY HA3 H 94 4.016 3.924 0.092 1 1 1102 . 9 1 1 A 94 94 GLY C C 94 173.391 175.212 -1.821 1 1 1103 . 9 1 1 A 94 94 GLY HA2 H 94 4.016 3.920 0.096 1 1 1 . 10 1 1 A 2 2 SER CA C 2 58.268 56.999 1.269 1 1 2 . 10 1 1 A 2 2 SER CB C 2 63.729 63.578 0.151 1 1 3 . 10 1 1 A 2 2 SER C C 2 174.818 172.954 1.864 1 1 4 . 10 1 1 A 3 3 SER CA C 3 58.693 57.585 1.108 1 1 5 . 10 1 1 A 3 3 SER CB C 3 63.906 66.058 -2.152 1 1 6 . 10 1 1 A 3 3 SER C C 3 174.981 172.868 2.113 1 1 7 . 10 1 1 A 5 5 SER C C 5 178.688 173.719 4.969 1 1 8 . 10 1 1 A 6 6 SER CA C 6 58.453 57.172 1.281 1 1 9 . 10 1 1 A 6 6 SER HA H 6 4.502 4.736 -0.234 1 1 10 . 10 1 1 A 6 6 SER CB C 6 63.956 64.253 -0.297 1 1 13 . 10 1 1 A 7 7 GLY N N 7 110.931 117.452 -6.521 1 1 14 . 10 1 1 A 7 7 GLY H H 7 8.436 8.885 -0.449 1 1 15 . 10 1 1 A 7 7 GLY CA C 7 45.357 46.267 -0.910 1 1 16 . 10 1 1 A 7 7 GLY HA3 H 7 3.979 3.907 0.072 1 1 17 . 10 1 1 A 7 7 GLY C C 7 174.128 173.678 0.450 1 1 18 . 10 1 1 A 7 7 GLY HA2 H 7 3.979 3.894 0.085 1 1 19 . 10 1 1 A 8 8 VAL N N 8 119.070 123.189 -4.119 1 1 20 . 10 1 1 A 8 8 VAL H H 8 8.006 8.247 -0.241 1 1 21 . 10 1 1 A 8 8 VAL CA C 8 62.332 60.614 1.718 1 1 22 . 10 1 1 A 8 8 VAL HA H 8 4.180 4.385 -0.205 1 1 23 . 10 1 1 A 8 8 VAL CB C 8 32.819 33.126 -0.307 1 1 33 . 10 1 1 A 8 8 VAL C C 8 176.359 175.844 0.515 1 1 34 . 10 1 1 A 9 9 SER N N 9 119.223 123.502 -4.279 1 1 35 . 10 1 1 A 9 9 SER H H 9 8.418 8.638 -0.220 1 1 36 . 10 1 1 A 9 9 SER CA C 9 58.392 56.937 1.455 1 1 37 . 10 1 1 A 9 9 SER HA H 9 4.469 4.805 -0.336 1 1 38 . 10 1 1 A 9 9 SER CB C 9 63.948 63.745 0.203 1 1 40 . 10 1 1 A 9 9 SER C C 9 174.256 172.298 1.958 1 1 42 . 10 1 1 A 10 10 ASP N N 10 122.453 119.531 2.922 1 1 43 . 10 1 1 A 10 10 ASP H H 10 8.311 7.584 0.727 1 1 44 . 10 1 1 A 10 10 ASP CA C 10 54.450 53.512 0.938 1 1 45 . 10 1 1 A 10 10 ASP HA H 10 4.592 5.023 -0.431 1 1 46 . 10 1 1 A 10 10 ASP CB C 10 41.174 44.916 -3.742 1 1 48 . 10 1 1 A 10 10 ASP C C 10 176.480 175.077 1.403 1 1 50 . 10 1 1 A 11 11 MET N N 11 120.428 122.363 -1.935 1 1 51 . 10 1 1 A 11 11 MET H H 11 8.340 8.718 -0.378 1 1 52 . 10 1 1 A 11 11 MET CA C 11 55.757 56.522 -0.765 1 1 53 . 10 1 1 A 11 11 MET HA H 11 4.418 4.695 -0.277 1 1 54 . 10 1 1 A 11 11 MET CB C 11 32.457 34.724 -2.267 1 1 62 . 10 1 1 A 11 11 MET C C 11 176.391 177.341 -0.950 1 1 65 . 10 1 1 A 12 12 ASN N N 12 118.914 115.611 3.303 1 1 66 . 10 1 1 A 12 12 ASN H H 12 8.416 8.092 0.324 1 1 67 . 10 1 1 A 12 12 ASN CA C 12 53.687 55.409 -1.722 1 1 68 . 10 1 1 A 12 12 ASN HA H 12 4.660 4.839 -0.179 1 1 69 . 10 1 1 A 12 12 ASN CB C 12 38.924 39.456 -0.532 1 1 74 . 10 1 1 A 12 12 ASN C C 12 175.770 177.266 -1.496 1 1 76 . 10 1 1 A 13 13 GLY N N 13 108.888 108.209 0.679 1 1 77 . 10 1 1 A 13 13 GLY H H 13 8.317 8.101 0.216 1 1 78 . 10 1 1 A 13 13 GLY CA C 13 45.658 47.620 -1.962 1 1 79 . 10 1 1 A 13 13 GLY HA3 H 13 3.920 3.891 0.029 1 1 80 . 10 1 1 A 13 13 GLY C C 13 174.275 174.169 0.106 1 1 81 . 10 1 1 A 13 13 GLY HA2 H 13 3.920 3.889 0.031 1 1 82 . 10 1 1 A 14 14 LEU N N 14 120.990 119.510 1.480 1 1 83 . 10 1 1 A 14 14 LEU H H 14 8.015 7.785 0.230 1 1 84 . 10 1 1 A 14 14 LEU CA C 14 55.074 53.986 1.088 1 1 85 . 10 1 1 A 14 14 LEU HA H 14 4.283 4.722 -0.439 1 1 86 . 10 1 1 A 14 14 LEU CB C 14 42.572 44.283 -1.711 1 1 98 . 10 1 1 A 14 14 LEU C C 14 177.365 176.003 1.362 1 1 100 . 10 1 1 A 15 15 GLY N N 15 107.853 112.740 -4.887 1 1 101 . 10 1 1 A 15 15 GLY H H 15 8.198 8.771 -0.573 1 1 102 . 10 1 1 A 15 15 GLY CA C 15 44.968 44.397 0.571 1 1 103 . 10 1 1 A 15 15 GLY HA3 H 15 3.823 4.133 -0.310 1 1 104 . 10 1 1 A 15 15 GLY C C 15 173.829 173.312 0.517 1 1 105 . 10 1 1 A 15 15 GLY HA2 H 15 3.783 4.009 -0.226 1 1 106 . 10 1 1 A 16 16 PHE N N 16 118.501 120.985 -2.484 1 1 107 . 10 1 1 A 16 16 PHE H H 16 7.868 8.601 -0.733 1 1 108 . 10 1 1 A 16 16 PHE CA C 16 57.837 58.007 -0.170 1 1 109 . 10 1 1 A 16 16 PHE HA H 16 4.442 4.517 -0.075 1 1 110 . 10 1 1 A 16 16 PHE CB C 16 40.278 39.323 0.955 1 1 122 . 10 1 1 A 16 16 PHE C C 16 176.569 175.716 0.853 1 1 124 . 10 1 1 A 17 17 LYS N N 17 126.087 123.100 2.987 1 1 125 . 10 1 1 A 17 17 LYS H H 17 8.611 8.381 0.230 1 1 126 . 10 1 1 A 17 17 LYS CA C 17 54.271 54.568 -0.297 1 1 127 . 10 1 1 A 17 17 LYS HA H 17 4.573 4.343 0.230 1 1 128 . 10 1 1 A 17 17 LYS CB C 17 32.818 33.045 -0.227 1 1 136 . 10 1 1 A 17 17 LYS C C 17 174.147 175.447 -1.300 1 1 141 . 10 1 1 A 18 18 PRO CA C 18 62.850 62.514 0.336 1 1 142 . 10 1 1 A 18 18 PRO HA H 18 4.647 4.680 -0.033 1 1 143 . 10 1 1 A 18 18 PRO CB C 18 31.990 32.717 -0.727 1 1 149 . 10 1 1 A 18 18 PRO C C 18 176.220 175.718 0.502 1 1 153 . 10 1 1 A 19 19 PHE N N 19 123.581 123.495 0.086 1 1 154 . 10 1 1 A 19 19 PHE H H 19 8.905 8.680 0.225 1 1 155 . 10 1 1 A 19 19 PHE CA C 19 57.402 56.507 0.895 1 1 156 . 10 1 1 A 19 19 PHE HA H 19 4.502 5.014 -0.512 1 1 157 . 10 1 1 A 19 19 PHE CB C 19 41.432 40.714 0.718 1 1 169 . 10 1 1 A 19 19 PHE C C 19 173.078 173.656 -0.578 1 1 171 . 10 1 1 A 20 20 ASP N N 20 126.229 125.520 0.709 1 1 172 . 10 1 1 A 20 20 ASP H H 20 7.412 8.918 -1.506 1 1 173 . 10 1 1 A 20 20 ASP CA C 20 52.686 52.688 -0.002 1 1 174 . 10 1 1 A 20 20 ASP HA H 20 5.248 4.879 0.369 1 1 175 . 10 1 1 A 20 20 ASP CB C 20 44.081 41.958 2.123 1 1 177 . 10 1 1 A 20 20 ASP C C 20 174.098 174.624 -0.526 1 1 179 . 10 1 1 A 21 21 LEU N N 21 123.421 123.912 -0.491 1 1 180 . 10 1 1 A 21 21 LEU H H 21 8.641 8.170 0.471 1 1 181 . 10 1 1 A 21 21 LEU CA C 21 54.201 53.505 0.696 1 1 182 . 10 1 1 A 21 21 LEU HA H 21 4.367 4.906 -0.539 1 1 183 . 10 1 1 A 21 21 LEU CB C 21 46.118 46.423 -0.305 1 1 195 . 10 1 1 A 21 21 LEU C C 21 174.294 173.693 0.601 1 1 197 . 10 1 1 A 22 22 VAL N N 22 127.339 123.148 4.191 1 1 198 . 10 1 1 A 22 22 VAL H H 22 8.451 9.059 -0.608 1 1 199 . 10 1 1 A 22 22 VAL CA C 22 61.986 59.998 1.988 1 1 200 . 10 1 1 A 22 22 VAL HA H 22 4.572 4.879 -0.307 1 1 201 . 10 1 1 A 22 22 VAL CB C 22 32.276 34.631 -2.355 1 1 211 . 10 1 1 A 22 22 VAL C C 22 176.066 174.919 1.147 1 1 212 . 10 1 1 A 23 23 ILE N N 23 128.645 129.215 -0.570 1 1 213 . 10 1 1 A 23 23 ILE H H 23 8.998 8.287 0.711 1 1 214 . 10 1 1 A 23 23 ILE CA C 23 57.193 60.256 -3.063 1 1 215 . 10 1 1 A 23 23 ILE HA H 23 4.489 4.127 0.362 1 1 216 . 10 1 1 A 23 23 ILE CB C 23 38.455 37.808 0.647 1 1 228 . 10 1 1 A 23 23 ILE C C 23 175.434 176.501 -1.067 1 1 230 . 10 1 1 A 24 24 PRO CA C 24 63.319 65.378 -2.059 1 1 231 . 10 1 1 A 24 24 PRO HA H 24 4.600 4.369 0.231 1 1 232 . 10 1 1 A 24 24 PRO CB C 24 30.324 32.022 -1.698 1 1 238 . 10 1 1 A 24 24 PRO C C 24 174.946 176.691 -1.745 1 1 242 . 10 1 1 A 25 25 PHE N N 25 121.530 113.935 7.595 1 1 243 . 10 1 1 A 25 25 PHE H H 25 7.582 7.894 -0.312 1 1 244 . 10 1 1 A 25 25 PHE CA C 25 56.635 56.061 0.574 1 1 245 . 10 1 1 A 25 25 PHE HA H 25 4.552 4.576 -0.024 1 1 246 . 10 1 1 A 25 25 PHE CB C 25 40.977 40.252 0.725 1 1 258 . 10 1 1 A 25 25 PHE C C 25 172.831 175.225 -2.394 1 1 260 . 10 1 1 A 26 26 ALA N N 26 124.526 122.854 1.672 1 1 261 . 10 1 1 A 26 26 ALA H H 26 7.993 8.404 -0.411 1 1 262 . 10 1 1 A 26 26 ALA CA C 26 52.074 51.398 0.676 1 1 263 . 10 1 1 A 26 26 ALA HA H 26 4.221 4.453 -0.232 1 1 264 . 10 1 1 A 26 26 ALA CB C 26 18.862 19.798 -0.936 1 1 268 . 10 1 1 A 26 26 ALA C C 26 176.973 176.438 0.535 1 1 269 . 10 1 1 A 27 27 VAL N N 27 118.422 118.900 -0.478 1 1 270 . 10 1 1 A 27 27 VAL H H 27 8.046 8.371 -0.325 1 1 271 . 10 1 1 A 27 27 VAL CA C 27 61.375 59.934 1.441 1 1 272 . 10 1 1 A 27 27 VAL HA H 27 4.248 4.359 -0.111 1 1 273 . 10 1 1 A 27 27 VAL CB C 27 34.179 34.237 -0.058 1 1 283 . 10 1 1 A 27 27 VAL C C 27 175.445 172.886 2.559 1 1 284 . 10 1 1 A 28 28 ARG N N 28 122.785 125.107 -2.322 1 1 285 . 10 1 1 A 28 28 ARG H H 28 8.275 8.185 0.090 1 1 286 . 10 1 1 A 28 28 ARG CA C 28 55.407 53.899 1.508 1 1 287 . 10 1 1 A 28 28 ARG HA H 28 4.473 4.877 -0.404 1 1 288 . 10 1 1 A 28 28 ARG CB C 28 31.087 33.193 -2.106 1 1 294 . 10 1 1 A 28 28 ARG C C 28 176.528 176.633 -0.105 1 1 298 . 10 1 1 A 29 29 LYS N N 29 121.704 120.748 0.956 1 1 299 . 10 1 1 A 29 29 LYS H H 29 8.484 8.762 -0.278 1 1 300 . 10 1 1 A 29 29 LYS CA C 29 57.888 56.339 1.549 1 1 301 . 10 1 1 A 29 29 LYS HA H 29 4.170 4.268 -0.098 1 1 302 . 10 1 1 A 29 29 LYS CB C 29 32.564 31.851 0.713 1 1 310 . 10 1 1 A 29 29 LYS C C 29 177.124 176.653 0.471 1 1 315 . 10 1 1 A 30 30 GLY N N 30 109.946 109.281 0.665 1 1 316 . 10 1 1 A 30 30 GLY H H 30 8.546 8.751 -0.205 1 1 317 . 10 1 1 A 30 30 GLY CA C 30 45.408 45.640 -0.232 1 1 318 . 10 1 1 A 30 30 GLY HA3 H 30 4.060 4.001 0.059 1 1 319 . 10 1 1 A 30 30 GLY C C 30 173.961 175.134 -1.173 1 1 320 . 10 1 1 A 30 30 GLY HA2 H 30 3.981 3.964 0.017 1 1 321 . 10 1 1 A 31 31 GLU N N 31 118.290 122.526 -4.236 1 1 322 . 10 1 1 A 31 31 GLU H H 31 8.088 8.313 -0.225 1 1 323 . 10 1 1 A 31 31 GLU CA C 31 56.979 56.480 0.499 1 1 324 . 10 1 1 A 31 31 GLU HA H 31 4.418 4.433 -0.015 1 1 325 . 10 1 1 A 31 31 GLU CB C 31 31.108 30.101 1.007 1 1 329 . 10 1 1 A 31 31 GLU C C 31 176.184 175.220 0.964 1 1 332 . 10 1 1 A 32 32 ILE N N 32 121.780 122.135 -0.355 1 1 333 . 10 1 1 A 32 32 ILE H H 32 8.155 7.568 0.587 1 1 334 . 10 1 1 A 32 32 ILE CA C 32 58.252 59.377 -1.125 1 1 335 . 10 1 1 A 32 32 ILE HA H 32 5.409 5.147 0.262 1 1 336 . 10 1 1 A 32 32 ILE CB C 32 39.008 41.471 -2.463 1 1 348 . 10 1 1 A 32 32 ILE C C 32 175.262 174.454 0.808 1 1 350 . 10 1 1 A 33 33 THR N N 33 117.063 115.946 1.117 1 1 351 . 10 1 1 A 33 33 THR H H 33 8.906 8.523 0.383 1 1 352 . 10 1 1 A 33 33 THR CA C 33 59.591 60.168 -0.577 1 1 353 . 10 1 1 A 33 33 THR HA H 33 4.707 5.208 -0.501 1 1 354 . 10 1 1 A 33 33 THR CB C 33 72.003 72.549 -0.546 1 1 360 . 10 1 1 A 33 33 THR C C 33 173.146 173.023 0.123 1 1 361 . 10 1 1 A 34 34 GLY N N 34 106.583 108.462 -1.879 1 1 362 . 10 1 1 A 34 34 GLY H H 34 8.603 8.493 0.110 1 1 363 . 10 1 1 A 34 34 GLY CA C 34 45.032 45.465 -0.433 1 1 364 . 10 1 1 A 34 34 GLY HA3 H 34 3.424 4.395 -0.971 1 1 365 . 10 1 1 A 34 34 GLY C C 34 172.260 172.146 0.114 1 1 366 . 10 1 1 A 34 34 GLY HA2 H 34 5.351 4.388 0.963 1 1 367 . 10 1 1 A 35 35 GLU N N 35 118.818 121.042 -2.224 1 1 368 . 10 1 1 A 35 35 GLU H H 35 8.756 8.666 0.090 1 1 369 . 10 1 1 A 35 35 GLU CA C 35 56.375 55.212 1.163 1 1 370 . 10 1 1 A 35 35 GLU HA H 35 4.739 5.145 -0.406 1 1 371 . 10 1 1 A 35 35 GLU CB C 35 34.673 33.904 0.769 1 1 375 . 10 1 1 A 35 35 GLU C C 35 173.645 174.633 -0.988 1 1 378 . 10 1 1 A 36 36 VAL N N 36 124.835 124.170 0.665 1 1 379 . 10 1 1 A 36 36 VAL H H 36 9.291 8.900 0.391 1 1 380 . 10 1 1 A 36 36 VAL CA C 36 60.780 61.756 -0.976 1 1 381 . 10 1 1 A 36 36 VAL HA H 36 4.751 4.683 0.068 1 1 382 . 10 1 1 A 36 36 VAL CB C 36 33.990 34.194 -0.204 1 1 392 . 10 1 1 A 36 36 VAL C C 36 174.137 174.886 -0.749 1 1 393 . 10 1 1 A 37 37 HIS N N 37 126.324 125.652 0.672 1 1 394 . 10 1 1 A 37 37 HIS H H 37 9.294 9.194 0.100 1 1 395 . 10 1 1 A 37 37 HIS CA C 37 54.625 55.455 -0.830 1 1 396 . 10 1 1 A 37 37 HIS HA H 37 4.751 4.949 -0.198 1 1 397 . 10 1 1 A 37 37 HIS CB C 37 30.676 31.021 -0.345 1 1 403 . 10 1 1 A 37 37 HIS C C 37 174.317 174.496 -0.179 1 1 405 . 10 1 1 A 38 38 MET N N 38 122.552 123.284 -0.732 1 1 406 . 10 1 1 A 38 38 MET H H 38 8.303 9.041 -0.738 1 1 407 . 10 1 1 A 38 38 MET CA C 38 54.086 54.631 -0.545 1 1 408 . 10 1 1 A 38 38 MET HA H 38 4.089 4.411 -0.322 1 1 409 . 10 1 1 A 38 38 MET CB C 38 32.900 32.045 0.855 1 1 417 . 10 1 1 A 38 38 MET C C 38 174.851 176.019 -1.168 1 1 420 . 10 1 1 A 39 39 PRO CA C 39 65.874 64.378 1.496 1 1 421 . 10 1 1 A 39 39 PRO HA H 39 4.156 4.335 -0.179 1 1 422 . 10 1 1 A 39 39 PRO CB C 39 31.312 31.974 -0.662 1 1 428 . 10 1 1 A 39 39 PRO C C 39 178.047 178.071 -0.024 1 1 432 . 10 1 1 A 40 40 SER N N 40 111.214 111.735 -0.521 1 1 433 . 10 1 1 A 40 40 SER H H 40 8.759 7.757 1.002 1 1 434 . 10 1 1 A 40 40 SER CA C 40 59.667 58.959 0.708 1 1 435 . 10 1 1 A 40 40 SER HA H 40 4.089 4.438 -0.349 1 1 436 . 10 1 1 A 40 40 SER CB C 40 62.726 63.312 -0.586 1 1 438 . 10 1 1 A 40 40 SER C C 40 176.300 174.595 1.705 1 1 440 . 10 1 1 A 41 41 GLY N N 41 111.180 108.410 2.770 1 1 441 . 10 1 1 A 41 41 GLY H H 41 8.293 8.020 0.273 1 1 442 . 10 1 1 A 41 41 GLY CA C 41 44.624 45.062 -0.438 1 1 443 . 10 1 1 A 41 41 GLY HA3 H 41 3.620 4.029 -0.409 1 1 444 . 10 1 1 A 41 41 GLY C C 41 174.516 173.813 0.703 1 1 445 . 10 1 1 A 41 41 GLY HA2 H 41 4.447 4.025 0.422 1 1 446 . 10 1 1 A 42 42 LYS N N 42 120.452 119.408 1.044 1 1 447 . 10 1 1 A 42 42 LYS H H 42 7.038 7.738 -0.700 1 1 448 . 10 1 1 A 42 42 LYS CA C 42 56.944 54.267 2.677 1 1 449 . 10 1 1 A 42 42 LYS HA H 42 4.286 4.715 -0.429 1 1 450 . 10 1 1 A 42 42 LYS CB C 42 33.719 35.042 -1.323 1 1 457 . 10 1 1 A 42 42 LYS C C 42 175.050 175.061 -0.011 1 1 462 . 10 1 1 A 43 43 THR N N 43 111.705 111.746 -0.041 1 1 463 . 10 1 1 A 43 43 THR H H 43 8.110 8.835 -0.725 1 1 464 . 10 1 1 A 43 43 THR CA C 43 59.653 59.750 -0.097 1 1 465 . 10 1 1 A 43 43 THR HA H 43 5.450 5.335 0.115 1 1 466 . 10 1 1 A 43 43 THR CB C 43 71.842 72.440 -0.598 1 1 472 . 10 1 1 A 43 43 THR C C 43 174.054 173.152 0.902 1 1 473 . 10 1 1 A 44 44 ALA N N 44 123.338 121.564 1.774 1 1 474 . 10 1 1 A 44 44 ALA H H 44 8.683 8.309 0.374 1 1 475 . 10 1 1 A 44 44 ALA CA C 44 50.752 51.678 -0.926 1 1 476 . 10 1 1 A 44 44 ALA HA H 44 4.798 4.862 -0.064 1 1 477 . 10 1 1 A 44 44 ALA CB C 44 24.091 23.074 1.017 1 1 481 . 10 1 1 A 44 44 ALA C C 44 175.947 175.942 0.005 1 1 482 . 10 1 1 A 45 45 THR N N 45 117.733 111.132 6.601 1 1 483 . 10 1 1 A 45 45 THR H H 45 8.934 8.594 0.340 1 1 484 . 10 1 1 A 45 45 THR CA C 45 59.517 59.084 0.433 1 1 485 . 10 1 1 A 45 45 THR HA H 45 4.894 4.865 0.029 1 1 486 . 10 1 1 A 45 45 THR CB C 45 70.403 69.894 0.509 1 1 492 . 10 1 1 A 45 45 THR C C 45 173.394 173.664 -0.270 1 1 493 . 10 1 1 A 46 46 PRO CA C 46 62.017 62.297 -0.280 1 1 494 . 10 1 1 A 46 46 PRO HA H 46 4.978 4.756 0.222 1 1 495 . 10 1 1 A 46 46 PRO CB C 46 32.885 33.153 -0.268 1 1 501 . 10 1 1 A 46 46 PRO C C 46 173.937 175.726 -1.789 1 1 505 . 10 1 1 A 47 47 GLU N N 47 120.450 120.618 -0.168 1 1 506 . 10 1 1 A 47 47 GLU H H 47 8.894 8.524 0.370 1 1 507 . 10 1 1 A 47 47 GLU CA C 47 56.040 55.242 0.798 1 1 508 . 10 1 1 A 47 47 GLU HA H 47 4.409 4.696 -0.287 1 1 509 . 10 1 1 A 47 47 GLU CB C 47 31.436 31.105 0.331 1 1 513 . 10 1 1 A 47 47 GLU C C 47 175.160 175.022 0.138 1 1 516 . 10 1 1 A 48 48 ILE N N 48 124.818 128.181 -3.363 1 1 517 . 10 1 1 A 48 48 ILE H H 48 8.467 8.803 -0.336 1 1 518 . 10 1 1 A 48 48 ILE CA C 48 60.408 60.260 0.148 1 1 519 . 10 1 1 A 48 48 ILE HA H 48 4.727 4.486 0.241 1 1 520 . 10 1 1 A 48 48 ILE CB C 48 38.177 37.002 1.175 1 1 532 . 10 1 1 A 48 48 ILE C C 48 175.681 174.598 1.083 1 1 534 . 10 1 1 A 49 49 VAL N N 49 129.411 128.063 1.348 1 1 535 . 10 1 1 A 49 49 VAL H H 49 9.417 8.671 0.746 1 1 536 . 10 1 1 A 49 49 VAL CA C 49 61.259 60.858 0.401 1 1 537 . 10 1 1 A 49 49 VAL HA H 49 4.188 4.685 -0.497 1 1 538 . 10 1 1 A 49 49 VAL CB C 49 34.719 34.413 0.306 1 1 548 . 10 1 1 A 49 49 VAL C C 49 174.654 173.639 1.015 1 1 549 . 10 1 1 A 50 50 ASP N N 50 125.078 128.072 -2.994 1 1 550 . 10 1 1 A 50 50 ASP H H 50 8.664 8.876 -0.212 1 1 551 . 10 1 1 A 50 50 ASP CA C 50 53.899 52.539 1.360 1 1 552 . 10 1 1 A 50 50 ASP HA H 50 4.683 5.252 -0.569 1 1 553 . 10 1 1 A 50 50 ASP CB C 50 41.270 41.952 -0.682 1 1 555 . 10 1 1 A 50 50 ASP C C 50 176.440 175.557 0.883 1 1 557 . 10 1 1 A 51 51 ASN N N 51 123.926 125.456 -1.530 1 1 558 . 10 1 1 A 51 51 ASN H H 51 8.212 8.719 -0.507 1 1 559 . 10 1 1 A 51 51 ASN CA C 51 53.917 53.730 0.187 1 1 560 . 10 1 1 A 51 51 ASN HA H 51 4.703 4.613 0.090 1 1 561 . 10 1 1 A 51 51 ASN CB C 51 38.667 39.413 -0.746 1 1 566 . 10 1 1 A 51 51 ASN C C 51 176.260 175.941 0.319 1 1 568 . 10 1 1 A 52 52 LYS N N 52 115.640 122.509 -6.869 1 1 569 . 10 1 1 A 52 52 LYS H H 52 9.145 9.053 0.092 1 1 570 . 10 1 1 A 52 52 LYS CA C 52 58.127 57.770 0.357 1 1 571 . 10 1 1 A 52 52 LYS HA H 52 4.040 4.331 -0.291 1 1 572 . 10 1 1 A 52 52 LYS CB C 52 29.405 31.847 -2.442 1 1 580 . 10 1 1 A 52 52 LYS C C 52 175.471 176.723 -1.252 1 1 585 . 10 1 1 A 53 53 ASP N N 53 117.607 118.967 -1.360 1 1 586 . 10 1 1 A 53 53 ASP H H 53 7.824 7.761 0.063 1 1 587 . 10 1 1 A 53 53 ASP CA C 53 52.598 54.923 -2.325 1 1 588 . 10 1 1 A 53 53 ASP HA H 53 4.690 4.695 -0.005 1 1 589 . 10 1 1 A 53 53 ASP CB C 53 40.929 42.628 -1.699 1 1 591 . 10 1 1 A 53 53 ASP C C 53 177.173 176.307 0.866 1 1 593 . 10 1 1 A 54 54 GLY N N 54 108.692 107.248 1.444 1 1 594 . 10 1 1 A 54 54 GLY H H 54 8.548 7.963 0.585 1 1 595 . 10 1 1 A 54 54 GLY CA C 54 45.161 45.075 0.086 1 1 596 . 10 1 1 A 54 54 GLY HA3 H 54 3.653 4.020 -0.367 1 1 597 . 10 1 1 A 54 54 GLY C C 54 173.737 173.594 0.143 1 1 598 . 10 1 1 A 54 54 GLY HA2 H 54 4.372 4.015 0.357 1 1 599 . 10 1 1 A 55 55 THR N N 55 110.165 109.815 0.350 1 1 600 . 10 1 1 A 55 55 THR H H 55 7.929 7.509 0.420 1 1 601 . 10 1 1 A 55 55 THR CA C 55 60.412 59.585 0.827 1 1 602 . 10 1 1 A 55 55 THR HA H 55 5.100 4.906 0.194 1 1 603 . 10 1 1 A 55 55 THR CB C 55 73.027 72.922 0.105 1 1 609 . 10 1 1 A 55 55 THR C C 55 174.206 172.789 1.417 1 1 610 . 10 1 1 A 56 56 VAL N N 56 115.822 120.469 -4.647 1 1 611 . 10 1 1 A 56 56 VAL H H 56 8.581 8.471 0.110 1 1 612 . 10 1 1 A 56 56 VAL CA C 56 59.608 60.117 -0.509 1 1 613 . 10 1 1 A 56 56 VAL HA H 56 5.132 5.230 -0.098 1 1 614 . 10 1 1 A 56 56 VAL CB C 56 35.607 35.031 0.576 1 1 624 . 10 1 1 A 56 56 VAL C C 56 174.437 174.887 -0.450 1 1 625 . 10 1 1 A 57 57 THR N N 57 120.574 122.404 -1.830 1 1 626 . 10 1 1 A 57 57 THR H H 57 9.151 8.856 0.295 1 1 627 . 10 1 1 A 57 57 THR CA C 57 61.543 61.573 -0.030 1 1 628 . 10 1 1 A 57 57 THR HA H 57 5.021 5.250 -0.229 1 1 629 . 10 1 1 A 57 57 THR CB C 57 71.080 71.459 -0.379 1 1 635 . 10 1 1 A 57 57 THR C C 57 173.190 173.149 0.041 1 1 636 . 10 1 1 A 58 58 VAL N N 58 127.832 128.455 -0.623 1 1 637 . 10 1 1 A 58 58 VAL H H 58 9.296 9.302 -0.006 1 1 638 . 10 1 1 A 58 58 VAL CA C 58 61.204 61.642 -0.438 1 1 639 . 10 1 1 A 58 58 VAL HA H 58 4.774 4.811 -0.037 1 1 640 . 10 1 1 A 58 58 VAL CB C 58 32.626 31.403 1.223 1 1 650 . 10 1 1 A 58 58 VAL C C 58 173.991 174.795 -0.804 1 1 651 . 10 1 1 A 59 59 ARG N N 59 126.761 129.059 -2.298 1 1 652 . 10 1 1 A 59 59 ARG H H 59 9.190 8.664 0.526 1 1 653 . 10 1 1 A 59 59 ARG CA C 59 54.384 54.098 0.286 1 1 654 . 10 1 1 A 59 59 ARG HA H 59 5.488 5.297 0.191 1 1 655 . 10 1 1 A 59 59 ARG CB C 59 34.262 33.824 0.438 1 1 661 . 10 1 1 A 59 59 ARG C C 59 174.849 174.258 0.591 1 1 665 . 10 1 1 A 60 60 TYR N N 60 123.838 125.958 -2.120 1 1 666 . 10 1 1 A 60 60 TYR H H 60 9.164 8.626 0.538 1 1 667 . 10 1 1 A 60 60 TYR CA C 60 56.684 57.813 -1.129 1 1 668 . 10 1 1 A 60 60 TYR HA H 60 5.024 5.049 -0.025 1 1 669 . 10 1 1 A 60 60 TYR CB C 60 42.761 41.879 0.882 1 1 675 . 10 1 1 A 60 60 TYR C C 60 171.861 173.642 -1.781 1 1 677 . 10 1 1 A 61 61 ALA N N 61 134.382 127.630 6.752 1 1 678 . 10 1 1 A 61 61 ALA H H 61 8.023 8.098 -0.075 1 1 679 . 10 1 1 A 61 61 ALA CA C 61 47.869 48.141 -0.272 1 1 680 . 10 1 1 A 61 61 ALA HA H 61 4.670 4.487 0.183 1 1 681 . 10 1 1 A 61 61 ALA CB C 61 18.685 20.277 -1.592 1 1 685 . 10 1 1 A 61 61 ALA C C 61 172.714 175.004 -2.290 1 1 686 . 10 1 1 A 62 62 PRO CA C 62 62.455 62.561 -0.106 1 1 687 . 10 1 1 A 62 62 PRO HA H 62 4.137 5.014 -0.877 1 1 688 . 10 1 1 A 62 62 PRO CB C 62 33.972 31.898 2.074 1 1 694 . 10 1 1 A 62 62 PRO C C 62 175.567 176.660 -1.093 1 1 698 . 10 1 1 A 63 63 THR N N 63 106.145 113.576 -7.431 1 1 699 . 10 1 1 A 63 63 THR H H 63 8.819 8.311 0.508 1 1 700 . 10 1 1 A 63 63 THR CA C 63 60.795 63.616 -2.821 1 1 701 . 10 1 1 A 63 63 THR HA H 63 4.278 4.471 -0.193 1 1 702 . 10 1 1 A 63 63 THR CB C 63 70.379 69.481 0.898 1 1 708 . 10 1 1 A 63 63 THR C C 63 173.771 174.592 -0.821 1 1 709 . 10 1 1 A 64 64 GLU N N 64 119.851 119.229 0.622 1 1 710 . 10 1 1 A 64 64 GLU H H 64 7.217 7.847 -0.630 1 1 711 . 10 1 1 A 64 64 GLU CA C 64 54.483 55.006 -0.523 1 1 712 . 10 1 1 A 64 64 GLU HA H 64 4.560 4.628 -0.068 1 1 713 . 10 1 1 A 64 64 GLU CB C 64 33.675 32.837 0.838 1 1 717 . 10 1 1 A 64 64 GLU C C 64 173.177 175.288 -2.111 1 1 720 . 10 1 1 A 65 65 VAL N N 65 114.914 119.254 -4.340 1 1 721 . 10 1 1 A 65 65 VAL H H 65 7.740 8.207 -0.467 1 1 722 . 10 1 1 A 65 65 VAL CA C 65 61.412 61.124 0.288 1 1 723 . 10 1 1 A 65 65 VAL HA H 65 3.730 4.247 -0.517 1 1 724 . 10 1 1 A 65 65 VAL CB C 65 33.477 33.182 0.295 1 1 734 . 10 1 1 A 65 65 VAL C C 65 176.588 174.892 1.696 1 1 735 . 10 1 1 A 66 66 GLY N N 66 108.948 108.603 0.345 1 1 736 . 10 1 1 A 66 66 GLY H H 66 8.821 7.930 0.891 1 1 737 . 10 1 1 A 66 66 GLY CA C 66 43.304 43.979 -0.675 1 1 738 . 10 1 1 A 66 66 GLY HA3 H 66 4.468 4.019 0.449 1 1 739 . 10 1 1 A 66 66 GLY C C 66 175.811 171.632 4.179 1 1 740 . 10 1 1 A 66 66 GLY HA2 H 66 3.184 4.011 -0.827 1 1 741 . 10 1 1 A 67 67 LEU N N 67 126.594 122.362 4.232 1 1 742 . 10 1 1 A 67 67 LEU H H 67 9.023 8.343 0.680 1 1 743 . 10 1 1 A 67 67 LEU CA C 67 56.432 53.414 3.018 1 1 744 . 10 1 1 A 67 67 LEU HA H 67 4.137 5.018 -0.881 1 1 745 . 10 1 1 A 67 67 LEU CB C 67 41.933 44.452 -2.519 1 1 757 . 10 1 1 A 67 67 LEU C C 67 174.817 174.697 0.120 1 1 759 . 10 1 1 A 68 68 HIS N N 68 127.130 126.155 0.975 1 1 760 . 10 1 1 A 68 68 HIS H H 68 9.165 8.458 0.707 1 1 761 . 10 1 1 A 68 68 HIS CA C 68 54.518 54.740 -0.222 1 1 762 . 10 1 1 A 68 68 HIS HA H 68 4.562 4.893 -0.331 1 1 763 . 10 1 1 A 68 68 HIS CB C 68 32.159 30.626 1.533 1 1 769 . 10 1 1 A 68 68 HIS C C 68 173.717 173.772 -0.055 1 1 771 . 10 1 1 A 69 69 GLU N N 69 116.428 123.711 -7.283 1 1 772 . 10 1 1 A 69 69 GLU H H 69 8.096 8.751 -0.655 1 1 773 . 10 1 1 A 69 69 GLU CA C 69 54.625 54.845 -0.220 1 1 774 . 10 1 1 A 69 69 GLU HA H 69 5.274 5.226 0.048 1 1 775 . 10 1 1 A 69 69 GLU CB C 69 34.361 32.290 2.071 1 1 779 . 10 1 1 A 69 69 GLU C C 69 174.811 175.161 -0.350 1 1 782 . 10 1 1 A 70 70 MET N N 70 126.104 127.858 -1.754 1 1 783 . 10 1 1 A 70 70 MET H H 70 9.874 9.218 0.656 1 1 784 . 10 1 1 A 70 70 MET CA C 70 54.399 54.849 -0.450 1 1 785 . 10 1 1 A 70 70 MET HA H 70 5.272 5.383 -0.111 1 1 786 . 10 1 1 A 70 70 MET CB C 70 36.158 34.348 1.810 1 1 794 . 10 1 1 A 70 70 MET C C 70 173.699 175.300 -1.601 1 1 797 . 10 1 1 A 71 71 HIS N N 71 129.007 123.151 5.856 1 1 798 . 10 1 1 A 71 71 HIS H H 71 9.533 9.412 0.121 1 1 799 . 10 1 1 A 71 71 HIS CA C 71 54.201 54.367 -0.166 1 1 800 . 10 1 1 A 71 71 HIS HA H 71 5.273 5.184 0.089 1 1 801 . 10 1 1 A 71 71 HIS CB C 71 33.546 31.708 1.838 1 1 807 . 10 1 1 A 71 71 HIS C C 71 174.997 173.800 1.197 1 1 809 . 10 1 1 A 72 72 ILE N N 72 126.123 124.736 1.387 1 1 810 . 10 1 1 A 72 72 ILE H H 72 9.842 9.003 0.839 1 1 811 . 10 1 1 A 72 72 ILE CA C 72 60.037 59.960 0.077 1 1 812 . 10 1 1 A 72 72 ILE HA H 72 4.885 4.954 -0.069 1 1 813 . 10 1 1 A 72 72 ILE CB C 72 40.102 40.110 -0.008 1 1 825 . 10 1 1 A 72 72 ILE C C 72 173.955 175.510 -1.555 1 1 827 . 10 1 1 A 73 73 LYS N N 73 124.414 125.466 -1.052 1 1 828 . 10 1 1 A 73 73 LYS H H 73 8.854 8.560 0.294 1 1 829 . 10 1 1 A 73 73 LYS CA C 73 54.200 54.878 -0.678 1 1 830 . 10 1 1 A 73 73 LYS HA H 73 4.964 4.983 -0.019 1 1 831 . 10 1 1 A 73 73 LYS CB C 73 36.335 35.599 0.736 1 1 839 . 10 1 1 A 73 73 LYS C C 73 174.360 174.189 0.171 1 1 844 . 10 1 1 A 74 74 TYR N N 74 121.190 126.356 -5.166 1 1 845 . 10 1 1 A 74 74 TYR H H 74 8.979 9.169 -0.190 1 1 846 . 10 1 1 A 74 74 TYR CA C 74 55.271 57.394 -2.123 1 1 847 . 10 1 1 A 74 74 TYR HA H 74 5.365 4.900 0.465 1 1 848 . 10 1 1 A 74 74 TYR CB C 74 41.143 40.681 0.462 1 1 858 . 10 1 1 A 74 74 TYR C C 74 175.646 175.002 0.644 1 1 860 . 10 1 1 A 75 75 MET N N 75 125.219 126.899 -1.680 1 1 861 . 10 1 1 A 75 75 MET H H 75 9.096 9.246 -0.150 1 1 862 . 10 1 1 A 75 75 MET CA C 75 56.166 56.577 -0.411 1 1 863 . 10 1 1 A 75 75 MET HA H 75 3.920 4.041 -0.121 1 1 864 . 10 1 1 A 75 75 MET CB C 75 29.423 31.136 -1.713 1 1 872 . 10 1 1 A 75 75 MET C C 75 176.809 176.061 0.748 1 1 875 . 10 1 1 A 76 76 GLY N N 76 102.874 104.536 -1.662 1 1 876 . 10 1 1 A 76 76 GLY H H 76 8.573 8.626 -0.053 1 1 877 . 10 1 1 A 76 76 GLY CA C 76 45.421 46.219 -0.798 1 1 878 . 10 1 1 A 76 76 GLY HA3 H 76 4.221 3.909 0.312 1 1 879 . 10 1 1 A 76 76 GLY C C 76 174.014 173.769 0.245 1 1 880 . 10 1 1 A 76 76 GLY HA2 H 76 3.471 3.890 -0.419 1 1 881 . 10 1 1 A 77 77 SER N N 77 115.868 114.872 0.996 1 1 882 . 10 1 1 A 77 77 SER H H 77 7.609 7.790 -0.181 1 1 883 . 10 1 1 A 77 77 SER CA C 77 56.956 57.681 -0.725 1 1 884 . 10 1 1 A 77 77 SER HA H 77 4.935 4.866 0.069 1 1 885 . 10 1 1 A 77 77 SER CB C 77 65.336 65.833 -0.497 1 1 887 . 10 1 1 A 77 77 SER C C 77 173.677 173.186 0.491 1 1 889 . 10 1 1 A 78 78 HIS N N 78 124.606 124.432 0.174 1 1 890 . 10 1 1 A 78 78 HIS H H 78 8.751 8.903 -0.152 1 1 891 . 10 1 1 A 78 78 HIS CA C 78 59.005 57.205 1.800 1 1 892 . 10 1 1 A 78 78 HIS HA H 78 4.617 4.746 -0.129 1 1 893 . 10 1 1 A 78 78 HIS CB C 78 32.066 30.761 1.305 1 1 899 . 10 1 1 A 78 78 HIS C C 78 178.429 175.693 2.736 1 1 901 . 10 1 1 A 79 79 ILE N N 79 117.547 119.336 -1.789 1 1 902 . 10 1 1 A 79 79 ILE H H 79 8.102 8.070 0.032 1 1 903 . 10 1 1 A 79 79 ILE CA C 79 61.442 58.937 2.505 1 1 904 . 10 1 1 A 79 79 ILE HA H 79 4.737 4.534 0.203 1 1 905 . 10 1 1 A 79 79 ILE CB C 79 35.644 38.116 -2.472 1 1 917 . 10 1 1 A 79 79 ILE C C 79 174.657 176.094 -1.437 1 1 919 . 10 1 1 A 80 80 PRO CA C 80 66.398 64.268 2.130 1 1 920 . 10 1 1 A 80 80 PRO HA H 80 4.296 4.521 -0.225 1 1 921 . 10 1 1 A 80 80 PRO CB C 80 31.380 31.494 -0.114 1 1 927 . 10 1 1 A 80 80 PRO C C 80 177.763 176.853 0.910 1 1 931 . 10 1 1 A 81 81 GLU N N 81 114.279 117.373 -3.094 1 1 932 . 10 1 1 A 81 81 GLU H H 81 8.913 8.348 0.565 1 1 933 . 10 1 1 A 81 81 GLU CA C 81 58.285 56.585 1.700 1 1 934 . 10 1 1 A 81 81 GLU HA H 81 4.043 4.583 -0.540 1 1 935 . 10 1 1 A 81 81 GLU CB C 81 29.010 31.345 -2.335 1 1 939 . 10 1 1 A 81 81 GLU C C 81 174.743 175.731 -0.988 1 1 942 . 10 1 1 A 82 82 SER N N 82 112.700 116.120 -3.420 1 1 943 . 10 1 1 A 82 82 SER H H 82 7.918 7.710 0.208 1 1 944 . 10 1 1 A 82 82 SER CA C 82 54.519 55.948 -1.429 1 1 945 . 10 1 1 A 82 82 SER HA H 82 4.798 4.906 -0.108 1 1 946 . 10 1 1 A 82 82 SER CB C 82 64.077 65.734 -1.657 1 1 948 . 10 1 1 A 82 82 SER C C 82 173.394 171.629 1.765 1 1 950 . 10 1 1 A 83 83 PRO CA C 83 62.597 62.480 0.117 1 1 951 . 10 1 1 A 83 83 PRO HA H 83 5.247 4.750 0.497 1 1 952 . 10 1 1 A 83 83 PRO CB C 83 34.681 32.764 1.917 1 1 958 . 10 1 1 A 83 83 PRO C C 83 175.783 176.118 -0.335 1 1 962 . 10 1 1 A 84 84 LEU N N 84 123.427 117.159 6.268 1 1 963 . 10 1 1 A 84 84 LEU H H 84 9.099 8.019 1.080 1 1 964 . 10 1 1 A 84 84 LEU CA C 84 54.413 52.529 1.884 1 1 965 . 10 1 1 A 84 84 LEU HA H 84 4.893 5.336 -0.443 1 1 966 . 10 1 1 A 84 84 LEU CB C 84 44.452 46.401 -1.949 1 1 978 . 10 1 1 A 84 84 LEU C C 84 176.054 175.000 1.054 1 1 980 . 10 1 1 A 85 85 GLN N N 85 122.438 118.203 4.235 1 1 981 . 10 1 1 A 85 85 GLN H H 85 8.869 8.905 -0.036 1 1 982 . 10 1 1 A 85 85 GLN CA C 85 54.811 54.057 0.754 1 1 983 . 10 1 1 A 85 85 GLN HA H 85 5.359 5.306 0.053 1 1 984 . 10 1 1 A 85 85 GLN CB C 85 30.972 32.018 -1.046 1 1 991 . 10 1 1 A 85 85 GLN C C 85 175.687 174.990 0.697 1 1 994 . 10 1 1 A 86 86 PHE N N 86 118.108 117.854 0.254 1 1 995 . 10 1 1 A 86 86 PHE H H 86 8.483 8.263 0.220 1 1 996 . 10 1 1 A 86 86 PHE CA C 86 56.104 55.445 0.659 1 1 997 . 10 1 1 A 86 86 PHE HA H 86 4.917 5.532 -0.615 1 1 998 . 10 1 1 A 86 86 PHE CB C 86 40.732 41.760 -1.028 1 1 1010 . 10 1 1 A 86 86 PHE C C 86 171.607 173.001 -1.394 1 1 1012 . 10 1 1 A 87 87 TYR N N 87 124.521 125.593 -1.072 1 1 1013 . 10 1 1 A 87 87 TYR H H 87 9.179 9.054 0.125 1 1 1014 . 10 1 1 A 87 87 TYR CA C 87 57.832 59.241 -1.409 1 1 1015 . 10 1 1 A 87 87 TYR HA H 87 4.643 5.058 -0.415 1 1 1016 . 10 1 1 A 87 87 TYR CB C 87 40.731 39.675 1.056 1 1 1026 . 10 1 1 A 87 87 TYR C C 87 175.145 174.306 0.839 1 1 1028 . 10 1 1 A 88 88 VAL N N 88 129.828 127.022 2.806 1 1 1029 . 10 1 1 A 88 88 VAL H H 88 7.865 8.090 -0.225 1 1 1030 . 10 1 1 A 88 88 VAL CA C 88 61.875 61.331 0.544 1 1 1031 . 10 1 1 A 88 88 VAL HA H 88 4.219 4.559 -0.340 1 1 1032 . 10 1 1 A 88 88 VAL CB C 88 32.943 32.590 0.353 1 1 1042 . 10 1 1 A 88 88 VAL C C 88 174.472 175.007 -0.535 1 1 1043 . 10 1 1 A 89 89 ASN N N 89 124.798 126.274 -1.476 1 1 1044 . 10 1 1 A 89 89 ASN H H 89 8.649 8.885 -0.236 1 1 1045 . 10 1 1 A 89 89 ASN CA C 89 52.062 52.088 -0.026 1 1 1046 . 10 1 1 A 89 89 ASN HA H 89 5.024 5.336 -0.312 1 1 1047 . 10 1 1 A 89 89 ASN CB C 89 41.470 41.382 0.088 1 1 1052 . 10 1 1 A 89 89 ASN C C 89 175.232 174.836 0.396 1 1 1054 . 10 1 1 A 90 90 TYR N N 90 119.662 123.849 -4.187 1 1 1055 . 10 1 1 A 90 90 TYR H H 90 8.559 8.993 -0.434 1 1 1056 . 10 1 1 A 90 90 TYR CA C 90 58.020 57.348 0.672 1 1 1057 . 10 1 1 A 90 90 TYR HA H 90 4.485 4.606 -0.121 1 1 1058 . 10 1 1 A 90 90 TYR CB C 90 37.880 39.602 -1.722 1 1 1068 . 10 1 1 A 90 90 TYR C C 90 174.972 174.911 0.061 1 1 1070 . 10 1 1 A 91 91 PRO CA C 91 63.396 62.401 0.995 1 1 1071 . 10 1 1 A 91 91 PRO HA H 91 4.337 4.625 -0.288 1 1 1072 . 10 1 1 A 91 91 PRO CB C 91 32.028 30.737 1.291 1 1 1081 . 10 1 1 A 92 92 ASN N N 92 118.175 122.076 -3.901 1 1 1082 . 10 1 1 A 92 92 ASN H H 92 8.429 8.740 -0.311 1 1 1083 . 10 1 1 A 92 92 ASN CA C 92 53.343 51.372 1.971 1 1 1084 . 10 1 1 A 92 92 ASN HA H 92 4.691 5.003 -0.312 1 1 1085 . 10 1 1 A 92 92 ASN CB C 92 39.000 38.691 0.309 1 1 1091 . 10 1 1 A 93 93 SER N N 93 115.984 119.925 -3.941 1 1 1092 . 10 1 1 A 93 93 SER H H 93 8.344 8.655 -0.311 1 1 1093 . 10 1 1 A 93 93 SER CA C 93 58.618 59.412 -0.794 1 1 1094 . 10 1 1 A 93 93 SER HA H 93 4.474 4.358 0.116 1 1 1095 . 10 1 1 A 93 93 SER CB C 93 63.894 63.667 0.227 1 1 1098 . 10 1 1 A 94 94 GLY N N 94 111.442 108.945 2.497 1 1 1099 . 10 1 1 A 94 94 GLY H H 94 8.499 7.512 0.987 1 1 1100 . 10 1 1 A 94 94 GLY CA C 94 45.417 45.263 0.154 1 1 1101 . 10 1 1 A 94 94 GLY HA3 H 94 4.016 4.173 -0.157 1 1 1102 . 10 1 1 A 94 94 GLY C C 94 173.391 173.032 0.359 1 1 1103 . 10 1 1 A 94 94 GLY HA2 H 94 4.016 4.169 -0.153 1 1 1 . 11 1 1 A 2 2 SER CA C 2 58.268 57.883 0.385 1 1 2 . 11 1 1 A 2 2 SER CB C 2 63.729 62.012 1.717 1 1 3 . 11 1 1 A 2 2 SER C C 2 174.818 173.920 0.898 1 1 4 . 11 1 1 A 3 3 SER CA C 3 58.693 58.769 -0.076 1 1 5 . 11 1 1 A 3 3 SER CB C 3 63.906 63.571 0.335 1 1 6 . 11 1 1 A 3 3 SER C C 3 174.981 175.170 -0.189 1 1 7 . 11 1 1 A 5 5 SER C C 5 178.688 174.353 4.335 1 1 8 . 11 1 1 A 6 6 SER CA C 6 58.453 57.520 0.933 1 1 9 . 11 1 1 A 6 6 SER HA H 6 4.502 4.898 -0.396 1 1 10 . 11 1 1 A 6 6 SER CB C 6 63.956 66.132 -2.176 1 1 13 . 11 1 1 A 7 7 GLY N N 7 110.931 111.398 -0.467 1 1 14 . 11 1 1 A 7 7 GLY H H 7 8.436 8.305 0.131 1 1 15 . 11 1 1 A 7 7 GLY CA C 7 45.357 44.358 0.999 1 1 16 . 11 1 1 A 7 7 GLY HA3 H 7 3.979 4.068 -0.089 1 1 17 . 11 1 1 A 7 7 GLY C C 7 174.128 174.491 -0.363 1 1 18 . 11 1 1 A 7 7 GLY HA2 H 7 3.979 4.068 -0.089 1 1 19 . 11 1 1 A 8 8 VAL N N 8 119.070 122.117 -3.047 1 1 20 . 11 1 1 A 8 8 VAL H H 8 8.006 8.639 -0.633 1 1 21 . 11 1 1 A 8 8 VAL CA C 8 62.332 63.001 -0.669 1 1 22 . 11 1 1 A 8 8 VAL HA H 8 4.180 3.615 0.565 1 1 23 . 11 1 1 A 8 8 VAL CB C 8 32.819 30.014 2.805 1 1 33 . 11 1 1 A 8 8 VAL C C 8 176.359 174.242 2.117 1 1 34 . 11 1 1 A 9 9 SER N N 9 119.223 115.558 3.665 1 1 35 . 11 1 1 A 9 9 SER H H 9 8.418 7.761 0.657 1 1 36 . 11 1 1 A 9 9 SER CA C 9 58.392 56.438 1.954 1 1 37 . 11 1 1 A 9 9 SER HA H 9 4.469 4.867 -0.398 1 1 38 . 11 1 1 A 9 9 SER CB C 9 63.948 65.327 -1.379 1 1 40 . 11 1 1 A 9 9 SER C C 9 174.256 172.511 1.745 1 1 42 . 11 1 1 A 10 10 ASP N N 10 122.453 127.245 -4.792 1 1 43 . 11 1 1 A 10 10 ASP H H 10 8.311 8.874 -0.563 1 1 44 . 11 1 1 A 10 10 ASP CA C 10 54.450 52.882 1.568 1 1 45 . 11 1 1 A 10 10 ASP HA H 10 4.592 4.762 -0.170 1 1 46 . 11 1 1 A 10 10 ASP CB C 10 41.174 40.535 0.639 1 1 48 . 11 1 1 A 10 10 ASP C C 10 176.480 174.854 1.626 1 1 50 . 11 1 1 A 11 11 MET N N 11 120.428 126.310 -5.882 1 1 51 . 11 1 1 A 11 11 MET H H 11 8.340 8.801 -0.461 1 1 52 . 11 1 1 A 11 11 MET CA C 11 55.757 53.701 2.056 1 1 53 . 11 1 1 A 11 11 MET HA H 11 4.418 4.711 -0.293 1 1 54 . 11 1 1 A 11 11 MET CB C 11 32.457 32.979 -0.522 1 1 62 . 11 1 1 A 11 11 MET C C 11 176.391 175.338 1.053 1 1 65 . 11 1 1 A 12 12 ASN N N 12 118.914 123.091 -4.177 1 1 66 . 11 1 1 A 12 12 ASN H H 12 8.416 8.860 -0.444 1 1 67 . 11 1 1 A 12 12 ASN CA C 12 53.687 54.351 -0.664 1 1 68 . 11 1 1 A 12 12 ASN HA H 12 4.660 4.319 0.341 1 1 69 . 11 1 1 A 12 12 ASN CB C 12 38.924 36.542 2.382 1 1 74 . 11 1 1 A 12 12 ASN C C 12 175.770 175.242 0.528 1 1 76 . 11 1 1 A 13 13 GLY N N 13 108.888 105.059 3.829 1 1 77 . 11 1 1 A 13 13 GLY H H 13 8.317 7.971 0.346 1 1 78 . 11 1 1 A 13 13 GLY CA C 13 45.658 46.812 -1.154 1 1 79 . 11 1 1 A 13 13 GLY HA3 H 13 3.920 3.689 0.231 1 1 80 . 11 1 1 A 13 13 GLY C C 13 174.275 174.176 0.099 1 1 81 . 11 1 1 A 13 13 GLY HA2 H 13 3.920 3.526 0.394 1 1 82 . 11 1 1 A 14 14 LEU N N 14 120.990 119.750 1.240 1 1 83 . 11 1 1 A 14 14 LEU H H 14 8.015 7.465 0.550 1 1 84 . 11 1 1 A 14 14 LEU CA C 14 55.074 53.930 1.144 1 1 85 . 11 1 1 A 14 14 LEU HA H 14 4.283 4.195 0.088 1 1 86 . 11 1 1 A 14 14 LEU CB C 14 42.572 40.412 2.160 1 1 98 . 11 1 1 A 14 14 LEU C C 14 177.365 175.849 1.516 1 1 100 . 11 1 1 A 15 15 GLY N N 15 107.853 111.261 -3.408 1 1 101 . 11 1 1 A 15 15 GLY H H 15 8.198 7.799 0.399 1 1 102 . 11 1 1 A 15 15 GLY CA C 15 44.968 45.580 -0.612 1 1 103 . 11 1 1 A 15 15 GLY HA3 H 15 3.823 4.052 -0.229 1 1 104 . 11 1 1 A 15 15 GLY C C 15 173.829 172.821 1.008 1 1 105 . 11 1 1 A 15 15 GLY HA2 H 15 3.783 4.016 -0.233 1 1 106 . 11 1 1 A 16 16 PHE N N 16 118.501 123.227 -4.726 1 1 107 . 11 1 1 A 16 16 PHE H H 16 7.868 8.611 -0.743 1 1 108 . 11 1 1 A 16 16 PHE CA C 16 57.837 58.614 -0.777 1 1 109 . 11 1 1 A 16 16 PHE HA H 16 4.442 4.400 0.042 1 1 110 . 11 1 1 A 16 16 PHE CB C 16 40.278 39.597 0.681 1 1 122 . 11 1 1 A 16 16 PHE C C 16 176.569 175.687 0.882 1 1 124 . 11 1 1 A 17 17 LYS N N 17 126.087 123.725 2.362 1 1 125 . 11 1 1 A 17 17 LYS H H 17 8.611 8.339 0.272 1 1 126 . 11 1 1 A 17 17 LYS CA C 17 54.271 54.709 -0.438 1 1 127 . 11 1 1 A 17 17 LYS HA H 17 4.573 4.318 0.255 1 1 128 . 11 1 1 A 17 17 LYS CB C 17 32.818 33.003 -0.185 1 1 136 . 11 1 1 A 17 17 LYS C C 17 174.147 175.257 -1.110 1 1 141 . 11 1 1 A 18 18 PRO CA C 18 62.850 62.498 0.352 1 1 142 . 11 1 1 A 18 18 PRO HA H 18 4.647 4.698 -0.051 1 1 143 . 11 1 1 A 18 18 PRO CB C 18 31.990 32.575 -0.585 1 1 149 . 11 1 1 A 18 18 PRO C C 18 176.220 175.678 0.542 1 1 153 . 11 1 1 A 19 19 PHE N N 19 123.581 123.285 0.296 1 1 154 . 11 1 1 A 19 19 PHE H H 19 8.905 8.610 0.295 1 1 155 . 11 1 1 A 19 19 PHE CA C 19 57.402 56.626 0.776 1 1 156 . 11 1 1 A 19 19 PHE HA H 19 4.502 5.081 -0.579 1 1 157 . 11 1 1 A 19 19 PHE CB C 19 41.432 41.003 0.429 1 1 169 . 11 1 1 A 19 19 PHE C C 19 173.078 173.566 -0.488 1 1 171 . 11 1 1 A 20 20 ASP N N 20 126.229 125.425 0.804 1 1 172 . 11 1 1 A 20 20 ASP H H 20 7.412 8.872 -1.460 1 1 173 . 11 1 1 A 20 20 ASP CA C 20 52.686 52.279 0.407 1 1 174 . 11 1 1 A 20 20 ASP HA H 20 5.248 5.154 0.094 1 1 175 . 11 1 1 A 20 20 ASP CB C 20 44.081 42.240 1.841 1 1 177 . 11 1 1 A 20 20 ASP C C 20 174.098 174.062 0.036 1 1 179 . 11 1 1 A 21 21 LEU N N 21 123.421 123.260 0.161 1 1 180 . 11 1 1 A 21 21 LEU H H 21 8.641 8.096 0.545 1 1 181 . 11 1 1 A 21 21 LEU CA C 21 54.201 54.179 0.022 1 1 182 . 11 1 1 A 21 21 LEU HA H 21 4.367 4.733 -0.366 1 1 183 . 11 1 1 A 21 21 LEU CB C 21 46.118 45.876 0.242 1 1 195 . 11 1 1 A 21 21 LEU C C 21 174.294 173.636 0.658 1 1 197 . 11 1 1 A 22 22 VAL N N 22 127.339 125.047 2.292 1 1 198 . 11 1 1 A 22 22 VAL H H 22 8.451 8.972 -0.521 1 1 199 . 11 1 1 A 22 22 VAL CA C 22 61.986 59.938 2.048 1 1 200 . 11 1 1 A 22 22 VAL HA H 22 4.572 4.939 -0.367 1 1 201 . 11 1 1 A 22 22 VAL CB C 22 32.276 34.377 -2.101 1 1 211 . 11 1 1 A 22 22 VAL C C 22 176.066 175.205 0.861 1 1 212 . 11 1 1 A 23 23 ILE N N 23 128.645 129.833 -1.188 1 1 213 . 11 1 1 A 23 23 ILE H H 23 8.998 8.059 0.939 1 1 214 . 11 1 1 A 23 23 ILE CA C 23 57.193 60.535 -3.342 1 1 215 . 11 1 1 A 23 23 ILE HA H 23 4.489 4.103 0.386 1 1 216 . 11 1 1 A 23 23 ILE CB C 23 38.455 37.723 0.732 1 1 228 . 11 1 1 A 23 23 ILE C C 23 175.434 176.483 -1.049 1 1 230 . 11 1 1 A 24 24 PRO CA C 24 63.319 65.429 -2.110 1 1 231 . 11 1 1 A 24 24 PRO HA H 24 4.600 4.367 0.233 1 1 232 . 11 1 1 A 24 24 PRO CB C 24 30.324 32.053 -1.729 1 1 238 . 11 1 1 A 24 24 PRO C C 24 174.946 176.633 -1.687 1 1 242 . 11 1 1 A 25 25 PHE N N 25 121.530 114.531 6.999 1 1 243 . 11 1 1 A 25 25 PHE H H 25 7.582 7.906 -0.324 1 1 244 . 11 1 1 A 25 25 PHE CA C 25 56.635 55.949 0.686 1 1 245 . 11 1 1 A 25 25 PHE HA H 25 4.552 4.572 -0.020 1 1 246 . 11 1 1 A 25 25 PHE CB C 25 40.977 40.851 0.126 1 1 258 . 11 1 1 A 25 25 PHE C C 25 172.831 174.742 -1.911 1 1 260 . 11 1 1 A 26 26 ALA N N 26 124.526 122.083 2.443 1 1 261 . 11 1 1 A 26 26 ALA H H 26 7.993 8.556 -0.563 1 1 262 . 11 1 1 A 26 26 ALA CA C 26 52.074 50.376 1.698 1 1 263 . 11 1 1 A 26 26 ALA HA H 26 4.221 4.818 -0.597 1 1 264 . 11 1 1 A 26 26 ALA CB C 26 18.862 20.796 -1.934 1 1 268 . 11 1 1 A 26 26 ALA C C 26 176.973 175.923 1.050 1 1 269 . 11 1 1 A 27 27 VAL N N 27 118.422 119.167 -0.745 1 1 270 . 11 1 1 A 27 27 VAL H H 27 8.046 8.297 -0.251 1 1 271 . 11 1 1 A 27 27 VAL CA C 27 61.375 59.191 2.184 1 1 272 . 11 1 1 A 27 27 VAL HA H 27 4.248 4.563 -0.315 1 1 273 . 11 1 1 A 27 27 VAL CB C 27 34.179 35.336 -1.157 1 1 283 . 11 1 1 A 27 27 VAL C C 27 175.445 172.989 2.456 1 1 284 . 11 1 1 A 28 28 ARG N N 28 122.785 125.173 -2.388 1 1 285 . 11 1 1 A 28 28 ARG H H 28 8.275 8.387 -0.112 1 1 286 . 11 1 1 A 28 28 ARG CA C 28 55.407 53.754 1.653 1 1 287 . 11 1 1 A 28 28 ARG HA H 28 4.473 4.762 -0.289 1 1 288 . 11 1 1 A 28 28 ARG CB C 28 31.087 33.440 -2.353 1 1 294 . 11 1 1 A 28 28 ARG C C 28 176.528 175.687 0.841 1 1 298 . 11 1 1 A 29 29 LYS N N 29 121.704 123.278 -1.574 1 1 299 . 11 1 1 A 29 29 LYS H H 29 8.484 8.620 -0.136 1 1 300 . 11 1 1 A 29 29 LYS CA C 29 57.888 57.864 0.024 1 1 301 . 11 1 1 A 29 29 LYS HA H 29 4.170 4.157 0.013 1 1 302 . 11 1 1 A 29 29 LYS CB C 29 32.564 32.508 0.056 1 1 310 . 11 1 1 A 29 29 LYS C C 29 177.124 177.094 0.030 1 1 315 . 11 1 1 A 30 30 GLY N N 30 109.946 110.590 -0.644 1 1 316 . 11 1 1 A 30 30 GLY H H 30 8.546 8.529 0.017 1 1 317 . 11 1 1 A 30 30 GLY CA C 30 45.408 45.998 -0.590 1 1 318 . 11 1 1 A 30 30 GLY HA3 H 30 4.060 4.173 -0.113 1 1 319 . 11 1 1 A 30 30 GLY C C 30 173.961 174.330 -0.369 1 1 320 . 11 1 1 A 30 30 GLY HA2 H 30 3.981 4.155 -0.174 1 1 321 . 11 1 1 A 31 31 GLU N N 31 118.290 125.429 -7.139 1 1 322 . 11 1 1 A 31 31 GLU H H 31 8.088 8.659 -0.571 1 1 323 . 11 1 1 A 31 31 GLU CA C 31 56.979 56.473 0.506 1 1 324 . 11 1 1 A 31 31 GLU HA H 31 4.418 4.441 -0.023 1 1 325 . 11 1 1 A 31 31 GLU CB C 31 31.108 30.229 0.879 1 1 329 . 11 1 1 A 31 31 GLU C C 31 176.184 175.154 1.030 1 1 332 . 11 1 1 A 32 32 ILE N N 32 121.780 122.053 -0.273 1 1 333 . 11 1 1 A 32 32 ILE H H 32 8.155 7.530 0.625 1 1 334 . 11 1 1 A 32 32 ILE CA C 32 58.252 59.333 -1.081 1 1 335 . 11 1 1 A 32 32 ILE HA H 32 5.409 5.316 0.093 1 1 336 . 11 1 1 A 32 32 ILE CB C 32 39.008 42.007 -2.999 1 1 348 . 11 1 1 A 32 32 ILE C C 32 175.262 174.421 0.841 1 1 350 . 11 1 1 A 33 33 THR N N 33 117.063 116.687 0.376 1 1 351 . 11 1 1 A 33 33 THR H H 33 8.906 8.773 0.133 1 1 352 . 11 1 1 A 33 33 THR CA C 33 59.591 60.146 -0.555 1 1 353 . 11 1 1 A 33 33 THR HA H 33 4.707 5.193 -0.486 1 1 354 . 11 1 1 A 33 33 THR CB C 33 72.003 72.592 -0.589 1 1 360 . 11 1 1 A 33 33 THR C C 33 173.146 173.021 0.125 1 1 361 . 11 1 1 A 34 34 GLY N N 34 106.583 108.138 -1.555 1 1 362 . 11 1 1 A 34 34 GLY H H 34 8.603 8.491 0.112 1 1 363 . 11 1 1 A 34 34 GLY CA C 34 45.032 45.375 -0.343 1 1 364 . 11 1 1 A 34 34 GLY HA3 H 34 3.424 4.438 -1.014 1 1 365 . 11 1 1 A 34 34 GLY C C 34 172.260 172.192 0.068 1 1 366 . 11 1 1 A 34 34 GLY HA2 H 34 5.351 4.435 0.916 1 1 367 . 11 1 1 A 35 35 GLU N N 35 118.818 121.315 -2.497 1 1 368 . 11 1 1 A 35 35 GLU H H 35 8.756 8.593 0.163 1 1 369 . 11 1 1 A 35 35 GLU CA C 35 56.375 55.105 1.270 1 1 370 . 11 1 1 A 35 35 GLU HA H 35 4.739 5.109 -0.370 1 1 371 . 11 1 1 A 35 35 GLU CB C 35 34.673 33.881 0.792 1 1 375 . 11 1 1 A 35 35 GLU C C 35 173.645 174.441 -0.796 1 1 378 . 11 1 1 A 36 36 VAL N N 36 124.835 123.602 1.233 1 1 379 . 11 1 1 A 36 36 VAL H H 36 9.291 8.559 0.732 1 1 380 . 11 1 1 A 36 36 VAL CA C 36 60.780 61.049 -0.269 1 1 381 . 11 1 1 A 36 36 VAL HA H 36 4.751 4.844 -0.093 1 1 382 . 11 1 1 A 36 36 VAL CB C 36 33.990 35.079 -1.089 1 1 392 . 11 1 1 A 36 36 VAL C C 36 174.137 174.601 -0.464 1 1 393 . 11 1 1 A 37 37 HIS N N 37 126.324 126.014 0.310 1 1 394 . 11 1 1 A 37 37 HIS H H 37 9.294 9.111 0.183 1 1 395 . 11 1 1 A 37 37 HIS CA C 37 54.625 54.958 -0.333 1 1 396 . 11 1 1 A 37 37 HIS HA H 37 4.751 5.069 -0.318 1 1 397 . 11 1 1 A 37 37 HIS CB C 37 30.676 30.737 -0.061 1 1 403 . 11 1 1 A 37 37 HIS C C 37 174.317 174.597 -0.280 1 1 405 . 11 1 1 A 38 38 MET N N 38 122.552 124.375 -1.823 1 1 406 . 11 1 1 A 38 38 MET H H 38 8.303 8.899 -0.596 1 1 407 . 11 1 1 A 38 38 MET CA C 38 54.086 54.910 -0.824 1 1 408 . 11 1 1 A 38 38 MET HA H 38 4.089 4.490 -0.401 1 1 409 . 11 1 1 A 38 38 MET CB C 38 32.900 32.306 0.594 1 1 417 . 11 1 1 A 38 38 MET C C 38 174.851 176.160 -1.309 1 1 420 . 11 1 1 A 39 39 PRO CA C 39 65.874 64.309 1.565 1 1 421 . 11 1 1 A 39 39 PRO HA H 39 4.156 4.309 -0.153 1 1 422 . 11 1 1 A 39 39 PRO CB C 39 31.312 31.842 -0.530 1 1 428 . 11 1 1 A 39 39 PRO C C 39 178.047 177.609 0.438 1 1 432 . 11 1 1 A 40 40 SER N N 40 111.214 111.720 -0.506 1 1 433 . 11 1 1 A 40 40 SER H H 40 8.759 7.754 1.005 1 1 434 . 11 1 1 A 40 40 SER CA C 40 59.667 58.664 1.003 1 1 435 . 11 1 1 A 40 40 SER HA H 40 4.089 4.438 -0.349 1 1 436 . 11 1 1 A 40 40 SER CB C 40 62.726 63.559 -0.833 1 1 438 . 11 1 1 A 40 40 SER C C 40 176.300 174.487 1.813 1 1 440 . 11 1 1 A 41 41 GLY N N 41 111.180 108.979 2.201 1 1 441 . 11 1 1 A 41 41 GLY H H 41 8.293 8.028 0.265 1 1 442 . 11 1 1 A 41 41 GLY CA C 41 44.624 45.120 -0.496 1 1 443 . 11 1 1 A 41 41 GLY HA3 H 41 3.620 4.023 -0.403 1 1 444 . 11 1 1 A 41 41 GLY C C 41 174.516 173.833 0.683 1 1 445 . 11 1 1 A 41 41 GLY HA2 H 41 4.447 4.020 0.427 1 1 446 . 11 1 1 A 42 42 LYS N N 42 120.452 119.686 0.766 1 1 447 . 11 1 1 A 42 42 LYS H H 42 7.038 7.750 -0.712 1 1 448 . 11 1 1 A 42 42 LYS CA C 42 56.944 54.200 2.744 1 1 449 . 11 1 1 A 42 42 LYS HA H 42 4.286 4.765 -0.479 1 1 450 . 11 1 1 A 42 42 LYS CB C 42 33.719 35.315 -1.596 1 1 457 . 11 1 1 A 42 42 LYS C C 42 175.050 175.184 -0.134 1 1 462 . 11 1 1 A 43 43 THR N N 43 111.705 112.076 -0.371 1 1 463 . 11 1 1 A 43 43 THR H H 43 8.110 8.919 -0.809 1 1 464 . 11 1 1 A 43 43 THR CA C 43 59.653 59.845 -0.192 1 1 465 . 11 1 1 A 43 43 THR HA H 43 5.450 5.200 0.250 1 1 466 . 11 1 1 A 43 43 THR CB C 43 71.842 71.931 -0.089 1 1 472 . 11 1 1 A 43 43 THR C C 43 174.054 173.399 0.655 1 1 473 . 11 1 1 A 44 44 ALA N N 44 123.338 122.185 1.153 1 1 474 . 11 1 1 A 44 44 ALA H H 44 8.683 8.330 0.353 1 1 475 . 11 1 1 A 44 44 ALA CA C 44 50.752 51.899 -1.147 1 1 476 . 11 1 1 A 44 44 ALA HA H 44 4.798 4.833 -0.035 1 1 477 . 11 1 1 A 44 44 ALA CB C 44 24.091 23.042 1.049 1 1 481 . 11 1 1 A 44 44 ALA C C 44 175.947 176.081 -0.134 1 1 482 . 11 1 1 A 45 45 THR N N 45 117.733 113.775 3.958 1 1 483 . 11 1 1 A 45 45 THR H H 45 8.934 8.557 0.377 1 1 484 . 11 1 1 A 45 45 THR CA C 45 59.517 59.709 -0.192 1 1 485 . 11 1 1 A 45 45 THR HA H 45 4.894 4.904 -0.010 1 1 486 . 11 1 1 A 45 45 THR CB C 45 70.403 69.535 0.868 1 1 492 . 11 1 1 A 45 45 THR C C 45 173.394 173.776 -0.382 1 1 493 . 11 1 1 A 46 46 PRO CA C 46 62.017 62.309 -0.292 1 1 494 . 11 1 1 A 46 46 PRO HA H 46 4.978 4.755 0.223 1 1 495 . 11 1 1 A 46 46 PRO CB C 46 32.885 33.198 -0.313 1 1 501 . 11 1 1 A 46 46 PRO C C 46 173.937 175.690 -1.753 1 1 505 . 11 1 1 A 47 47 GLU N N 47 120.450 120.687 -0.237 1 1 506 . 11 1 1 A 47 47 GLU H H 47 8.894 9.000 -0.106 1 1 507 . 11 1 1 A 47 47 GLU CA C 47 56.040 55.220 0.820 1 1 508 . 11 1 1 A 47 47 GLU HA H 47 4.409 4.725 -0.316 1 1 509 . 11 1 1 A 47 47 GLU CB C 47 31.436 31.605 -0.169 1 1 513 . 11 1 1 A 47 47 GLU C C 47 175.160 175.022 0.138 1 1 516 . 11 1 1 A 48 48 ILE N N 48 124.818 128.013 -3.195 1 1 517 . 11 1 1 A 48 48 ILE H H 48 8.467 8.823 -0.356 1 1 518 . 11 1 1 A 48 48 ILE CA C 48 60.408 60.078 0.330 1 1 519 . 11 1 1 A 48 48 ILE HA H 48 4.727 4.603 0.124 1 1 520 . 11 1 1 A 48 48 ILE CB C 48 38.177 37.498 0.679 1 1 532 . 11 1 1 A 48 48 ILE C C 48 175.681 174.896 0.785 1 1 534 . 11 1 1 A 49 49 VAL N N 49 129.411 128.215 1.196 1 1 535 . 11 1 1 A 49 49 VAL H H 49 9.417 8.677 0.740 1 1 536 . 11 1 1 A 49 49 VAL CA C 49 61.259 60.700 0.559 1 1 537 . 11 1 1 A 49 49 VAL HA H 49 4.188 4.674 -0.486 1 1 538 . 11 1 1 A 49 49 VAL CB C 49 34.719 35.061 -0.342 1 1 548 . 11 1 1 A 49 49 VAL C C 49 174.654 173.584 1.070 1 1 549 . 11 1 1 A 50 50 ASP N N 50 125.078 127.527 -2.449 1 1 550 . 11 1 1 A 50 50 ASP H H 50 8.664 8.902 -0.238 1 1 551 . 11 1 1 A 50 50 ASP CA C 50 53.899 52.552 1.347 1 1 552 . 11 1 1 A 50 50 ASP HA H 50 4.683 5.226 -0.543 1 1 553 . 11 1 1 A 50 50 ASP CB C 50 41.270 41.900 -0.630 1 1 555 . 11 1 1 A 50 50 ASP C C 50 176.440 175.528 0.912 1 1 557 . 11 1 1 A 51 51 ASN N N 51 123.926 125.473 -1.547 1 1 558 . 11 1 1 A 51 51 ASN H H 51 8.212 8.732 -0.520 1 1 559 . 11 1 1 A 51 51 ASN CA C 51 53.917 53.736 0.181 1 1 560 . 11 1 1 A 51 51 ASN HA H 51 4.703 4.611 0.092 1 1 561 . 11 1 1 A 51 51 ASN CB C 51 38.667 39.273 -0.606 1 1 566 . 11 1 1 A 51 51 ASN C C 51 176.260 175.877 0.383 1 1 568 . 11 1 1 A 52 52 LYS N N 52 115.640 122.792 -7.152 1 1 569 . 11 1 1 A 52 52 LYS H H 52 9.145 9.027 0.118 1 1 570 . 11 1 1 A 52 52 LYS CA C 52 58.127 57.809 0.318 1 1 571 . 11 1 1 A 52 52 LYS HA H 52 4.040 4.317 -0.277 1 1 572 . 11 1 1 A 52 52 LYS CB C 52 29.405 31.873 -2.468 1 1 580 . 11 1 1 A 52 52 LYS C C 52 175.471 176.849 -1.378 1 1 585 . 11 1 1 A 53 53 ASP N N 53 117.607 118.763 -1.156 1 1 586 . 11 1 1 A 53 53 ASP H H 53 7.824 7.766 0.058 1 1 587 . 11 1 1 A 53 53 ASP CA C 53 52.598 54.874 -2.276 1 1 588 . 11 1 1 A 53 53 ASP HA H 53 4.690 4.699 -0.009 1 1 589 . 11 1 1 A 53 53 ASP CB C 53 40.929 42.422 -1.493 1 1 591 . 11 1 1 A 53 53 ASP C C 53 177.173 176.172 1.001 1 1 593 . 11 1 1 A 54 54 GLY N N 54 108.692 106.980 1.712 1 1 594 . 11 1 1 A 54 54 GLY H H 54 8.548 7.934 0.614 1 1 595 . 11 1 1 A 54 54 GLY CA C 54 45.161 45.026 0.135 1 1 596 . 11 1 1 A 54 54 GLY HA3 H 54 3.653 4.020 -0.367 1 1 597 . 11 1 1 A 54 54 GLY C C 54 173.737 173.599 0.138 1 1 598 . 11 1 1 A 54 54 GLY HA2 H 54 4.372 4.015 0.357 1 1 599 . 11 1 1 A 55 55 THR N N 55 110.165 109.962 0.203 1 1 600 . 11 1 1 A 55 55 THR H H 55 7.929 7.506 0.423 1 1 601 . 11 1 1 A 55 55 THR CA C 55 60.412 59.501 0.911 1 1 602 . 11 1 1 A 55 55 THR HA H 55 5.100 4.893 0.207 1 1 603 . 11 1 1 A 55 55 THR CB C 55 73.027 72.855 0.172 1 1 609 . 11 1 1 A 55 55 THR C C 55 174.206 172.894 1.312 1 1 610 . 11 1 1 A 56 56 VAL N N 56 115.822 120.300 -4.478 1 1 611 . 11 1 1 A 56 56 VAL H H 56 8.581 8.455 0.126 1 1 612 . 11 1 1 A 56 56 VAL CA C 56 59.608 60.311 -0.703 1 1 613 . 11 1 1 A 56 56 VAL HA H 56 5.132 5.235 -0.103 1 1 614 . 11 1 1 A 56 56 VAL CB C 56 35.607 34.915 0.692 1 1 624 . 11 1 1 A 56 56 VAL C C 56 174.437 174.994 -0.557 1 1 625 . 11 1 1 A 57 57 THR N N 57 120.574 122.337 -1.763 1 1 626 . 11 1 1 A 57 57 THR H H 57 9.151 9.273 -0.122 1 1 627 . 11 1 1 A 57 57 THR CA C 57 61.543 61.557 -0.014 1 1 628 . 11 1 1 A 57 57 THR HA H 57 5.021 5.139 -0.118 1 1 629 . 11 1 1 A 57 57 THR CB C 57 71.080 70.843 0.237 1 1 635 . 11 1 1 A 57 57 THR C C 57 173.190 173.267 -0.077 1 1 636 . 11 1 1 A 58 58 VAL N N 58 127.832 128.195 -0.363 1 1 637 . 11 1 1 A 58 58 VAL H H 58 9.296 9.362 -0.066 1 1 638 . 11 1 1 A 58 58 VAL CA C 58 61.204 61.876 -0.672 1 1 639 . 11 1 1 A 58 58 VAL HA H 58 4.774 4.890 -0.116 1 1 640 . 11 1 1 A 58 58 VAL CB C 58 32.626 31.495 1.131 1 1 650 . 11 1 1 A 58 58 VAL C C 58 173.991 174.895 -0.904 1 1 651 . 11 1 1 A 59 59 ARG N N 59 126.761 129.291 -2.530 1 1 652 . 11 1 1 A 59 59 ARG H H 59 9.190 9.114 0.076 1 1 653 . 11 1 1 A 59 59 ARG CA C 59 54.384 54.198 0.186 1 1 654 . 11 1 1 A 59 59 ARG HA H 59 5.488 5.405 0.083 1 1 655 . 11 1 1 A 59 59 ARG CB C 59 34.262 33.935 0.327 1 1 661 . 11 1 1 A 59 59 ARG C C 59 174.849 174.253 0.596 1 1 665 . 11 1 1 A 60 60 TYR N N 60 123.838 125.798 -1.960 1 1 666 . 11 1 1 A 60 60 TYR H H 60 9.164 8.620 0.544 1 1 667 . 11 1 1 A 60 60 TYR CA C 60 56.684 58.303 -1.619 1 1 668 . 11 1 1 A 60 60 TYR HA H 60 5.024 4.873 0.151 1 1 669 . 11 1 1 A 60 60 TYR CB C 60 42.761 41.135 1.626 1 1 675 . 11 1 1 A 60 60 TYR C C 60 171.861 173.981 -2.120 1 1 677 . 11 1 1 A 61 61 ALA N N 61 134.382 131.086 3.296 1 1 678 . 11 1 1 A 61 61 ALA H H 61 8.023 8.644 -0.621 1 1 679 . 11 1 1 A 61 61 ALA CA C 61 47.869 49.638 -1.769 1 1 680 . 11 1 1 A 61 61 ALA HA H 61 4.670 4.284 0.386 1 1 681 . 11 1 1 A 61 61 ALA CB C 61 18.685 19.421 -0.736 1 1 685 . 11 1 1 A 61 61 ALA C C 61 172.714 175.769 -3.055 1 1 686 . 11 1 1 A 62 62 PRO CA C 62 62.455 62.354 0.101 1 1 687 . 11 1 1 A 62 62 PRO HA H 62 4.137 4.245 -0.108 1 1 688 . 11 1 1 A 62 62 PRO CB C 62 33.972 31.757 2.215 1 1 694 . 11 1 1 A 62 62 PRO C C 62 175.567 177.202 -1.635 1 1 698 . 11 1 1 A 63 63 THR N N 63 106.145 117.679 -11.534 1 1 699 . 11 1 1 A 63 63 THR H H 63 8.819 8.538 0.281 1 1 700 . 11 1 1 A 63 63 THR CA C 63 60.795 63.835 -3.040 1 1 701 . 11 1 1 A 63 63 THR HA H 63 4.278 4.476 -0.198 1 1 702 . 11 1 1 A 63 63 THR CB C 63 70.379 70.296 0.083 1 1 708 . 11 1 1 A 63 63 THR C C 63 173.771 174.188 -0.417 1 1 709 . 11 1 1 A 64 64 GLU N N 64 119.851 119.313 0.538 1 1 710 . 11 1 1 A 64 64 GLU H H 64 7.217 7.662 -0.445 1 1 711 . 11 1 1 A 64 64 GLU CA C 64 54.483 54.973 -0.490 1 1 712 . 11 1 1 A 64 64 GLU HA H 64 4.560 4.613 -0.053 1 1 713 . 11 1 1 A 64 64 GLU CB C 64 33.675 32.754 0.921 1 1 717 . 11 1 1 A 64 64 GLU C C 64 173.177 175.302 -2.125 1 1 720 . 11 1 1 A 65 65 VAL N N 65 114.914 119.304 -4.390 1 1 721 . 11 1 1 A 65 65 VAL H H 65 7.740 8.285 -0.545 1 1 722 . 11 1 1 A 65 65 VAL CA C 65 61.412 61.462 -0.050 1 1 723 . 11 1 1 A 65 65 VAL HA H 65 3.730 4.104 -0.374 1 1 724 . 11 1 1 A 65 65 VAL CB C 65 33.477 33.190 0.287 1 1 734 . 11 1 1 A 65 65 VAL C C 65 176.588 174.933 1.655 1 1 735 . 11 1 1 A 66 66 GLY N N 66 108.948 108.419 0.529 1 1 736 . 11 1 1 A 66 66 GLY H H 66 8.821 7.539 1.282 1 1 737 . 11 1 1 A 66 66 GLY CA C 66 43.304 43.609 -0.305 1 1 738 . 11 1 1 A 66 66 GLY HA3 H 66 4.468 3.898 0.570 1 1 739 . 11 1 1 A 66 66 GLY C C 66 175.811 171.717 4.094 1 1 740 . 11 1 1 A 66 66 GLY HA2 H 66 3.184 3.779 -0.595 1 1 741 . 11 1 1 A 67 67 LEU N N 67 126.594 121.920 4.674 1 1 742 . 11 1 1 A 67 67 LEU H H 67 9.023 8.248 0.775 1 1 743 . 11 1 1 A 67 67 LEU CA C 67 56.432 53.456 2.976 1 1 744 . 11 1 1 A 67 67 LEU HA H 67 4.137 4.862 -0.725 1 1 745 . 11 1 1 A 67 67 LEU CB C 67 41.933 44.450 -2.517 1 1 757 . 11 1 1 A 67 67 LEU C C 67 174.817 174.323 0.494 1 1 759 . 11 1 1 A 68 68 HIS N N 68 127.130 124.835 2.295 1 1 760 . 11 1 1 A 68 68 HIS H H 68 9.165 8.557 0.608 1 1 761 . 11 1 1 A 68 68 HIS CA C 68 54.518 54.033 0.485 1 1 762 . 11 1 1 A 68 68 HIS HA H 68 4.562 5.167 -0.605 1 1 763 . 11 1 1 A 68 68 HIS CB C 68 32.159 32.759 -0.600 1 1 769 . 11 1 1 A 68 68 HIS C C 68 173.717 173.084 0.633 1 1 771 . 11 1 1 A 69 69 GLU N N 69 116.428 123.989 -7.561 1 1 772 . 11 1 1 A 69 69 GLU H H 69 8.096 8.627 -0.531 1 1 773 . 11 1 1 A 69 69 GLU CA C 69 54.625 54.913 -0.288 1 1 774 . 11 1 1 A 69 69 GLU HA H 69 5.274 5.258 0.016 1 1 775 . 11 1 1 A 69 69 GLU CB C 69 34.361 32.692 1.669 1 1 779 . 11 1 1 A 69 69 GLU C C 69 174.811 175.143 -0.332 1 1 782 . 11 1 1 A 70 70 MET N N 70 126.104 127.883 -1.779 1 1 783 . 11 1 1 A 70 70 MET H H 70 9.874 8.961 0.913 1 1 784 . 11 1 1 A 70 70 MET CA C 70 54.399 54.581 -0.182 1 1 785 . 11 1 1 A 70 70 MET HA H 70 5.272 5.271 0.001 1 1 786 . 11 1 1 A 70 70 MET CB C 70 36.158 34.372 1.786 1 1 794 . 11 1 1 A 70 70 MET C C 70 173.699 175.280 -1.581 1 1 797 . 11 1 1 A 71 71 HIS N N 71 129.007 123.075 5.932 1 1 798 . 11 1 1 A 71 71 HIS H H 71 9.533 9.540 -0.007 1 1 799 . 11 1 1 A 71 71 HIS CA C 71 54.201 54.469 -0.268 1 1 800 . 11 1 1 A 71 71 HIS HA H 71 5.273 5.132 0.141 1 1 801 . 11 1 1 A 71 71 HIS CB C 71 33.546 31.639 1.907 1 1 807 . 11 1 1 A 71 71 HIS C C 71 174.997 173.835 1.162 1 1 809 . 11 1 1 A 72 72 ILE N N 72 126.123 124.284 1.839 1 1 810 . 11 1 1 A 72 72 ILE H H 72 9.842 9.003 0.839 1 1 811 . 11 1 1 A 72 72 ILE CA C 72 60.037 59.955 0.082 1 1 812 . 11 1 1 A 72 72 ILE HA H 72 4.885 4.872 0.013 1 1 813 . 11 1 1 A 72 72 ILE CB C 72 40.102 40.236 -0.134 1 1 825 . 11 1 1 A 72 72 ILE C C 72 173.955 175.070 -1.115 1 1 827 . 11 1 1 A 73 73 LYS N N 73 124.414 125.686 -1.272 1 1 828 . 11 1 1 A 73 73 LYS H H 73 8.854 8.742 0.112 1 1 829 . 11 1 1 A 73 73 LYS CA C 73 54.200 54.708 -0.508 1 1 830 . 11 1 1 A 73 73 LYS HA H 73 4.964 5.028 -0.064 1 1 831 . 11 1 1 A 73 73 LYS CB C 73 36.335 36.429 -0.094 1 1 839 . 11 1 1 A 73 73 LYS C C 73 174.360 173.982 0.378 1 1 844 . 11 1 1 A 74 74 TYR N N 74 121.190 124.753 -3.563 1 1 845 . 11 1 1 A 74 74 TYR H H 74 8.979 9.369 -0.390 1 1 846 . 11 1 1 A 74 74 TYR CA C 74 55.271 57.584 -2.313 1 1 847 . 11 1 1 A 74 74 TYR HA H 74 5.365 4.867 0.498 1 1 848 . 11 1 1 A 74 74 TYR CB C 74 41.143 41.146 -0.003 1 1 858 . 11 1 1 A 74 74 TYR C C 74 175.646 175.238 0.408 1 1 860 . 11 1 1 A 75 75 MET N N 75 125.219 126.888 -1.669 1 1 861 . 11 1 1 A 75 75 MET H H 75 9.096 9.464 -0.368 1 1 862 . 11 1 1 A 75 75 MET CA C 75 56.166 56.573 -0.407 1 1 863 . 11 1 1 A 75 75 MET HA H 75 3.920 4.047 -0.127 1 1 864 . 11 1 1 A 75 75 MET CB C 75 29.423 31.120 -1.697 1 1 872 . 11 1 1 A 75 75 MET C C 75 176.809 176.154 0.655 1 1 875 . 11 1 1 A 76 76 GLY N N 76 102.874 104.553 -1.679 1 1 876 . 11 1 1 A 76 76 GLY H H 76 8.573 8.631 -0.058 1 1 877 . 11 1 1 A 76 76 GLY CA C 76 45.421 46.426 -1.005 1 1 878 . 11 1 1 A 76 76 GLY HA3 H 76 4.221 3.924 0.297 1 1 879 . 11 1 1 A 76 76 GLY C C 76 174.014 173.649 0.365 1 1 880 . 11 1 1 A 76 76 GLY HA2 H 76 3.471 3.900 -0.429 1 1 881 . 11 1 1 A 77 77 SER N N 77 115.868 114.507 1.361 1 1 882 . 11 1 1 A 77 77 SER H H 77 7.609 7.580 0.029 1 1 883 . 11 1 1 A 77 77 SER CA C 77 56.956 57.063 -0.107 1 1 884 . 11 1 1 A 77 77 SER HA H 77 4.935 4.961 -0.026 1 1 885 . 11 1 1 A 77 77 SER CB C 77 65.336 65.531 -0.195 1 1 887 . 11 1 1 A 77 77 SER C C 77 173.677 173.141 0.536 1 1 889 . 11 1 1 A 78 78 HIS N N 78 124.606 124.673 -0.067 1 1 890 . 11 1 1 A 78 78 HIS H H 78 8.751 8.937 -0.186 1 1 891 . 11 1 1 A 78 78 HIS CA C 78 59.005 57.432 1.573 1 1 892 . 11 1 1 A 78 78 HIS HA H 78 4.617 4.708 -0.091 1 1 893 . 11 1 1 A 78 78 HIS CB C 78 32.066 30.778 1.288 1 1 899 . 11 1 1 A 78 78 HIS C C 78 178.429 175.654 2.775 1 1 901 . 11 1 1 A 79 79 ILE N N 79 117.547 119.418 -1.871 1 1 902 . 11 1 1 A 79 79 ILE H H 79 8.102 8.099 0.003 1 1 903 . 11 1 1 A 79 79 ILE CA C 79 61.442 58.941 2.501 1 1 904 . 11 1 1 A 79 79 ILE HA H 79 4.737 4.610 0.127 1 1 905 . 11 1 1 A 79 79 ILE CB C 79 35.644 38.209 -2.565 1 1 917 . 11 1 1 A 79 79 ILE C C 79 174.657 176.069 -1.412 1 1 919 . 11 1 1 A 80 80 PRO CA C 80 66.398 64.285 2.113 1 1 920 . 11 1 1 A 80 80 PRO HA H 80 4.296 4.534 -0.238 1 1 921 . 11 1 1 A 80 80 PRO CB C 80 31.380 31.506 -0.126 1 1 927 . 11 1 1 A 80 80 PRO C C 80 177.763 176.990 0.773 1 1 931 . 11 1 1 A 81 81 GLU N N 81 114.279 117.379 -3.100 1 1 932 . 11 1 1 A 81 81 GLU H H 81 8.913 8.355 0.558 1 1 933 . 11 1 1 A 81 81 GLU CA C 81 58.285 56.705 1.580 1 1 934 . 11 1 1 A 81 81 GLU HA H 81 4.043 4.580 -0.537 1 1 935 . 11 1 1 A 81 81 GLU CB C 81 29.010 31.231 -2.221 1 1 939 . 11 1 1 A 81 81 GLU C C 81 174.743 175.742 -0.999 1 1 942 . 11 1 1 A 82 82 SER N N 82 112.700 116.161 -3.461 1 1 943 . 11 1 1 A 82 82 SER H H 82 7.918 7.721 0.197 1 1 944 . 11 1 1 A 82 82 SER CA C 82 54.519 55.926 -1.407 1 1 945 . 11 1 1 A 82 82 SER HA H 82 4.798 4.871 -0.073 1 1 946 . 11 1 1 A 82 82 SER CB C 82 64.077 65.793 -1.716 1 1 948 . 11 1 1 A 82 82 SER C C 82 173.394 171.743 1.651 1 1 950 . 11 1 1 A 83 83 PRO CA C 83 62.597 62.300 0.297 1 1 951 . 11 1 1 A 83 83 PRO HA H 83 5.247 4.569 0.678 1 1 952 . 11 1 1 A 83 83 PRO CB C 83 34.681 32.861 1.820 1 1 958 . 11 1 1 A 83 83 PRO C C 83 175.783 175.710 0.073 1 1 962 . 11 1 1 A 84 84 LEU N N 84 123.427 116.686 6.741 1 1 963 . 11 1 1 A 84 84 LEU H H 84 9.099 8.022 1.077 1 1 964 . 11 1 1 A 84 84 LEU CA C 84 54.413 52.561 1.852 1 1 965 . 11 1 1 A 84 84 LEU HA H 84 4.893 5.248 -0.355 1 1 966 . 11 1 1 A 84 84 LEU CB C 84 44.452 46.545 -2.093 1 1 978 . 11 1 1 A 84 84 LEU C C 84 176.054 175.799 0.255 1 1 980 . 11 1 1 A 85 85 GLN N N 85 122.438 118.540 3.898 1 1 981 . 11 1 1 A 85 85 GLN H H 85 8.869 8.653 0.216 1 1 982 . 11 1 1 A 85 85 GLN CA C 85 54.811 54.373 0.438 1 1 983 . 11 1 1 A 85 85 GLN HA H 85 5.359 5.200 0.159 1 1 984 . 11 1 1 A 85 85 GLN CB C 85 30.972 32.558 -1.586 1 1 991 . 11 1 1 A 85 85 GLN C C 85 175.687 174.774 0.913 1 1 994 . 11 1 1 A 86 86 PHE N N 86 118.108 119.458 -1.350 1 1 995 . 11 1 1 A 86 86 PHE H H 86 8.483 8.330 0.153 1 1 996 . 11 1 1 A 86 86 PHE CA C 86 56.104 55.523 0.581 1 1 997 . 11 1 1 A 86 86 PHE HA H 86 4.917 5.506 -0.589 1 1 998 . 11 1 1 A 86 86 PHE CB C 86 40.732 41.930 -1.198 1 1 1010 . 11 1 1 A 86 86 PHE C C 86 171.607 172.805 -1.198 1 1 1012 . 11 1 1 A 87 87 TYR N N 87 124.521 125.709 -1.188 1 1 1013 . 11 1 1 A 87 87 TYR H H 87 9.179 9.146 0.033 1 1 1014 . 11 1 1 A 87 87 TYR CA C 87 57.832 58.074 -0.242 1 1 1015 . 11 1 1 A 87 87 TYR HA H 87 4.643 4.966 -0.323 1 1 1016 . 11 1 1 A 87 87 TYR CB C 87 40.731 39.996 0.735 1 1 1026 . 11 1 1 A 87 87 TYR C C 87 175.145 174.276 0.869 1 1 1028 . 11 1 1 A 88 88 VAL N N 88 129.828 126.955 2.873 1 1 1029 . 11 1 1 A 88 88 VAL H H 88 7.865 8.452 -0.587 1 1 1030 . 11 1 1 A 88 88 VAL CA C 88 61.875 61.323 0.552 1 1 1031 . 11 1 1 A 88 88 VAL HA H 88 4.219 4.549 -0.330 1 1 1032 . 11 1 1 A 88 88 VAL CB C 88 32.943 32.478 0.465 1 1 1042 . 11 1 1 A 88 88 VAL C C 88 174.472 175.426 -0.954 1 1 1043 . 11 1 1 A 89 89 ASN N N 89 124.798 126.551 -1.753 1 1 1044 . 11 1 1 A 89 89 ASN H H 89 8.649 8.792 -0.143 1 1 1045 . 11 1 1 A 89 89 ASN CA C 89 52.062 52.693 -0.631 1 1 1046 . 11 1 1 A 89 89 ASN HA H 89 5.024 5.232 -0.208 1 1 1047 . 11 1 1 A 89 89 ASN CB C 89 41.470 40.398 1.072 1 1 1052 . 11 1 1 A 89 89 ASN C C 89 175.232 174.597 0.635 1 1 1054 . 11 1 1 A 90 90 TYR N N 90 119.662 122.885 -3.223 1 1 1055 . 11 1 1 A 90 90 TYR H H 90 8.559 8.845 -0.286 1 1 1056 . 11 1 1 A 90 90 TYR CA C 90 58.020 56.493 1.527 1 1 1057 . 11 1 1 A 90 90 TYR HA H 90 4.485 5.310 -0.825 1 1 1058 . 11 1 1 A 90 90 TYR CB C 90 37.880 41.153 -3.273 1 1 1068 . 11 1 1 A 90 90 TYR C C 90 174.972 174.049 0.923 1 1 1070 . 11 1 1 A 91 91 PRO CA C 91 63.396 62.126 1.270 1 1 1071 . 11 1 1 A 91 91 PRO HA H 91 4.337 4.512 -0.175 1 1 1072 . 11 1 1 A 91 91 PRO CB C 91 32.028 31.152 0.876 1 1 1081 . 11 1 1 A 92 92 ASN N N 92 118.175 118.601 -0.426 1 1 1082 . 11 1 1 A 92 92 ASN H H 92 8.429 8.324 0.105 1 1 1083 . 11 1 1 A 92 92 ASN CA C 92 53.343 52.893 0.450 1 1 1084 . 11 1 1 A 92 92 ASN HA H 92 4.691 4.965 -0.274 1 1 1085 . 11 1 1 A 92 92 ASN CB C 92 39.000 39.344 -0.344 1 1 1091 . 11 1 1 A 93 93 SER N N 93 115.984 115.345 0.639 1 1 1092 . 11 1 1 A 93 93 SER H H 93 8.344 8.858 -0.514 1 1 1093 . 11 1 1 A 93 93 SER CA C 93 58.618 61.087 -2.469 1 1 1094 . 11 1 1 A 93 93 SER HA H 93 4.474 4.276 0.198 1 1 1095 . 11 1 1 A 93 93 SER CB C 93 63.894 63.645 0.249 1 1 1098 . 11 1 1 A 94 94 GLY N N 94 111.442 108.261 3.181 1 1 1099 . 11 1 1 A 94 94 GLY H H 94 8.499 7.886 0.613 1 1 1100 . 11 1 1 A 94 94 GLY CA C 94 45.417 44.521 0.896 1 1 1101 . 11 1 1 A 94 94 GLY HA3 H 94 4.016 4.209 -0.193 1 1 1102 . 11 1 1 A 94 94 GLY C C 94 173.391 172.623 0.768 1 1 1103 . 11 1 1 A 94 94 GLY HA2 H 94 4.016 4.201 -0.185 1 1 1 . 12 1 1 A 2 2 SER CA C 2 58.268 58.270 -0.002 1 1 2 . 12 1 1 A 2 2 SER CB C 2 63.729 64.939 -1.210 1 1 3 . 12 1 1 A 2 2 SER C C 2 174.818 173.991 0.827 1 1 4 . 12 1 1 A 3 3 SER CA C 3 58.693 57.592 1.101 1 1 5 . 12 1 1 A 3 3 SER CB C 3 63.906 65.908 -2.002 1 1 6 . 12 1 1 A 3 3 SER C C 3 174.981 172.353 2.628 1 1 7 . 12 1 1 A 5 5 SER C C 5 178.688 173.491 5.197 1 1 8 . 12 1 1 A 6 6 SER CA C 6 58.453 57.666 0.787 1 1 9 . 12 1 1 A 6 6 SER HA H 6 4.502 4.949 -0.447 1 1 10 . 12 1 1 A 6 6 SER CB C 6 63.956 64.698 -0.742 1 1 13 . 12 1 1 A 7 7 GLY N N 7 110.931 111.221 -0.290 1 1 14 . 12 1 1 A 7 7 GLY H H 7 8.436 8.290 0.146 1 1 15 . 12 1 1 A 7 7 GLY CA C 7 45.357 43.860 1.497 1 1 16 . 12 1 1 A 7 7 GLY HA3 H 7 3.979 4.080 -0.101 1 1 17 . 12 1 1 A 7 7 GLY C C 7 174.128 172.515 1.613 1 1 18 . 12 1 1 A 7 7 GLY HA2 H 7 3.979 4.078 -0.099 1 1 19 . 12 1 1 A 8 8 VAL N N 8 119.070 119.086 -0.016 1 1 20 . 12 1 1 A 8 8 VAL H H 8 8.006 8.147 -0.141 1 1 21 . 12 1 1 A 8 8 VAL CA C 8 62.332 60.459 1.873 1 1 22 . 12 1 1 A 8 8 VAL HA H 8 4.180 4.799 -0.619 1 1 23 . 12 1 1 A 8 8 VAL CB C 8 32.819 35.636 -2.817 1 1 33 . 12 1 1 A 8 8 VAL C C 8 176.359 174.635 1.724 1 1 34 . 12 1 1 A 9 9 SER N N 9 119.223 124.195 -4.972 1 1 35 . 12 1 1 A 9 9 SER H H 9 8.418 8.658 -0.240 1 1 36 . 12 1 1 A 9 9 SER CA C 9 58.392 58.125 0.267 1 1 37 . 12 1 1 A 9 9 SER HA H 9 4.469 4.697 -0.228 1 1 38 . 12 1 1 A 9 9 SER CB C 9 63.948 61.830 2.118 1 1 40 . 12 1 1 A 9 9 SER C C 9 174.256 173.139 1.117 1 1 42 . 12 1 1 A 10 10 ASP N N 10 122.453 125.775 -3.322 1 1 43 . 12 1 1 A 10 10 ASP H H 10 8.311 8.222 0.089 1 1 44 . 12 1 1 A 10 10 ASP CA C 10 54.450 54.018 0.432 1 1 45 . 12 1 1 A 10 10 ASP HA H 10 4.592 4.909 -0.317 1 1 46 . 12 1 1 A 10 10 ASP CB C 10 41.174 40.854 0.320 1 1 48 . 12 1 1 A 10 10 ASP C C 10 176.480 175.639 0.841 1 1 50 . 12 1 1 A 11 11 MET N N 11 120.428 122.082 -1.654 1 1 51 . 12 1 1 A 11 11 MET H H 11 8.340 8.430 -0.090 1 1 52 . 12 1 1 A 11 11 MET CA C 11 55.757 54.786 0.971 1 1 53 . 12 1 1 A 11 11 MET HA H 11 4.418 5.020 -0.602 1 1 54 . 12 1 1 A 11 11 MET CB C 11 32.457 35.776 -3.319 1 1 62 . 12 1 1 A 11 11 MET C C 11 176.391 173.700 2.691 1 1 65 . 12 1 1 A 12 12 ASN N N 12 118.914 122.339 -3.425 1 1 66 . 12 1 1 A 12 12 ASN H H 12 8.416 8.753 -0.337 1 1 67 . 12 1 1 A 12 12 ASN CA C 12 53.687 51.511 2.176 1 1 68 . 12 1 1 A 12 12 ASN HA H 12 4.660 5.451 -0.791 1 1 69 . 12 1 1 A 12 12 ASN CB C 12 38.924 41.962 -3.038 1 1 74 . 12 1 1 A 12 12 ASN C C 12 175.770 174.933 0.837 1 1 76 . 12 1 1 A 13 13 GLY N N 13 108.888 113.307 -4.419 1 1 77 . 12 1 1 A 13 13 GLY H H 13 8.317 8.873 -0.556 1 1 78 . 12 1 1 A 13 13 GLY CA C 13 45.658 44.338 1.320 1 1 79 . 12 1 1 A 13 13 GLY HA3 H 13 3.920 4.043 -0.123 1 1 80 . 12 1 1 A 13 13 GLY C C 13 174.275 172.843 1.432 1 1 81 . 12 1 1 A 13 13 GLY HA2 H 13 3.920 4.037 -0.117 1 1 82 . 12 1 1 A 14 14 LEU N N 14 120.990 120.741 0.249 1 1 83 . 12 1 1 A 14 14 LEU H H 14 8.015 8.263 -0.248 1 1 84 . 12 1 1 A 14 14 LEU CA C 14 55.074 54.555 0.519 1 1 85 . 12 1 1 A 14 14 LEU HA H 14 4.283 4.229 0.054 1 1 86 . 12 1 1 A 14 14 LEU CB C 14 42.572 39.980 2.592 1 1 98 . 12 1 1 A 14 14 LEU C C 14 177.365 177.479 -0.114 1 1 100 . 12 1 1 A 15 15 GLY N N 15 107.853 114.865 -7.012 1 1 101 . 12 1 1 A 15 15 GLY H H 15 8.198 8.571 -0.373 1 1 102 . 12 1 1 A 15 15 GLY CA C 15 44.968 45.525 -0.557 1 1 103 . 12 1 1 A 15 15 GLY HA3 H 15 3.823 3.891 -0.068 1 1 104 . 12 1 1 A 15 15 GLY C C 15 173.829 174.023 -0.194 1 1 105 . 12 1 1 A 15 15 GLY HA2 H 15 3.783 3.808 -0.025 1 1 106 . 12 1 1 A 16 16 PHE N N 16 118.501 120.040 -1.539 1 1 107 . 12 1 1 A 16 16 PHE H H 16 7.868 7.795 0.073 1 1 108 . 12 1 1 A 16 16 PHE CA C 16 57.837 58.778 -0.941 1 1 109 . 12 1 1 A 16 16 PHE HA H 16 4.442 4.385 0.057 1 1 110 . 12 1 1 A 16 16 PHE CB C 16 40.278 38.789 1.489 1 1 122 . 12 1 1 A 16 16 PHE C C 16 176.569 175.326 1.243 1 1 124 . 12 1 1 A 17 17 LYS N N 17 126.087 124.980 1.107 1 1 125 . 12 1 1 A 17 17 LYS H H 17 8.611 8.519 0.092 1 1 126 . 12 1 1 A 17 17 LYS CA C 17 54.271 55.386 -1.115 1 1 127 . 12 1 1 A 17 17 LYS HA H 17 4.573 4.398 0.175 1 1 128 . 12 1 1 A 17 17 LYS CB C 17 32.818 31.885 0.933 1 1 136 . 12 1 1 A 17 17 LYS C C 17 174.147 174.830 -0.683 1 1 141 . 12 1 1 A 18 18 PRO CA C 18 62.850 62.799 0.051 1 1 142 . 12 1 1 A 18 18 PRO HA H 18 4.647 4.647 0.000 1 1 143 . 12 1 1 A 18 18 PRO CB C 18 31.990 32.782 -0.792 1 1 149 . 12 1 1 A 18 18 PRO C C 18 176.220 175.923 0.297 1 1 153 . 12 1 1 A 19 19 PHE N N 19 123.581 123.706 -0.125 1 1 154 . 12 1 1 A 19 19 PHE H H 19 8.905 8.047 0.858 1 1 155 . 12 1 1 A 19 19 PHE CA C 19 57.402 56.941 0.461 1 1 156 . 12 1 1 A 19 19 PHE HA H 19 4.502 4.801 -0.299 1 1 157 . 12 1 1 A 19 19 PHE CB C 19 41.432 39.933 1.499 1 1 169 . 12 1 1 A 19 19 PHE C C 19 173.078 173.625 -0.547 1 1 171 . 12 1 1 A 20 20 ASP N N 20 126.229 126.070 0.159 1 1 172 . 12 1 1 A 20 20 ASP H H 20 7.412 9.008 -1.596 1 1 173 . 12 1 1 A 20 20 ASP CA C 20 52.686 52.505 0.181 1 1 174 . 12 1 1 A 20 20 ASP HA H 20 5.248 5.133 0.115 1 1 175 . 12 1 1 A 20 20 ASP CB C 20 44.081 42.402 1.679 1 1 177 . 12 1 1 A 20 20 ASP C C 20 174.098 174.574 -0.476 1 1 179 . 12 1 1 A 21 21 LEU N N 21 123.421 122.995 0.426 1 1 180 . 12 1 1 A 21 21 LEU H H 21 8.641 8.036 0.605 1 1 181 . 12 1 1 A 21 21 LEU CA C 21 54.201 54.069 0.132 1 1 182 . 12 1 1 A 21 21 LEU HA H 21 4.367 4.849 -0.482 1 1 183 . 12 1 1 A 21 21 LEU CB C 21 46.118 45.980 0.138 1 1 195 . 12 1 1 A 21 21 LEU C C 21 174.294 173.648 0.646 1 1 197 . 12 1 1 A 22 22 VAL N N 22 127.339 124.202 3.137 1 1 198 . 12 1 1 A 22 22 VAL H H 22 8.451 8.951 -0.500 1 1 199 . 12 1 1 A 22 22 VAL CA C 22 61.986 60.009 1.977 1 1 200 . 12 1 1 A 22 22 VAL HA H 22 4.572 4.825 -0.253 1 1 201 . 12 1 1 A 22 22 VAL CB C 22 32.276 34.472 -2.196 1 1 211 . 12 1 1 A 22 22 VAL C C 22 176.066 175.150 0.916 1 1 212 . 12 1 1 A 23 23 ILE N N 23 128.645 129.582 -0.937 1 1 213 . 12 1 1 A 23 23 ILE H H 23 8.998 7.960 1.038 1 1 214 . 12 1 1 A 23 23 ILE CA C 23 57.193 60.303 -3.110 1 1 215 . 12 1 1 A 23 23 ILE HA H 23 4.489 3.951 0.538 1 1 216 . 12 1 1 A 23 23 ILE CB C 23 38.455 37.194 1.261 1 1 228 . 12 1 1 A 23 23 ILE C C 23 175.434 176.262 -0.828 1 1 230 . 12 1 1 A 24 24 PRO CA C 24 63.319 65.238 -1.919 1 1 231 . 12 1 1 A 24 24 PRO HA H 24 4.600 4.312 0.288 1 1 232 . 12 1 1 A 24 24 PRO CB C 24 30.324 31.934 -1.610 1 1 238 . 12 1 1 A 24 24 PRO C C 24 174.946 176.601 -1.655 1 1 242 . 12 1 1 A 25 25 PHE N N 25 121.530 114.174 7.356 1 1 243 . 12 1 1 A 25 25 PHE H H 25 7.582 7.579 0.003 1 1 244 . 12 1 1 A 25 25 PHE CA C 25 56.635 56.149 0.486 1 1 245 . 12 1 1 A 25 25 PHE HA H 25 4.552 4.554 -0.002 1 1 246 . 12 1 1 A 25 25 PHE CB C 25 40.977 40.038 0.939 1 1 258 . 12 1 1 A 25 25 PHE C C 25 172.831 174.927 -2.096 1 1 260 . 12 1 1 A 26 26 ALA N N 26 124.526 123.189 1.337 1 1 261 . 12 1 1 A 26 26 ALA H H 26 7.993 8.636 -0.643 1 1 262 . 12 1 1 A 26 26 ALA CA C 26 52.074 50.776 1.298 1 1 263 . 12 1 1 A 26 26 ALA HA H 26 4.221 5.044 -0.823 1 1 264 . 12 1 1 A 26 26 ALA CB C 26 18.862 20.919 -2.057 1 1 268 . 12 1 1 A 26 26 ALA C C 26 176.973 176.546 0.427 1 1 269 . 12 1 1 A 27 27 VAL N N 27 118.422 119.428 -1.006 1 1 270 . 12 1 1 A 27 27 VAL H H 27 8.046 8.551 -0.505 1 1 271 . 12 1 1 A 27 27 VAL CA C 27 61.375 59.518 1.857 1 1 272 . 12 1 1 A 27 27 VAL HA H 27 4.248 4.801 -0.553 1 1 273 . 12 1 1 A 27 27 VAL CB C 27 34.179 35.557 -1.378 1 1 283 . 12 1 1 A 27 27 VAL C C 27 175.445 172.564 2.881 1 1 284 . 12 1 1 A 28 28 ARG N N 28 122.785 126.845 -4.060 1 1 285 . 12 1 1 A 28 28 ARG H H 28 8.275 8.772 -0.497 1 1 286 . 12 1 1 A 28 28 ARG CA C 28 55.407 54.287 1.120 1 1 287 . 12 1 1 A 28 28 ARG HA H 28 4.473 4.898 -0.425 1 1 288 . 12 1 1 A 28 28 ARG CB C 28 31.087 32.992 -1.905 1 1 294 . 12 1 1 A 28 28 ARG C C 28 176.528 175.350 1.178 1 1 298 . 12 1 1 A 29 29 LYS N N 29 121.704 127.150 -5.446 1 1 299 . 12 1 1 A 29 29 LYS H H 29 8.484 8.728 -0.244 1 1 300 . 12 1 1 A 29 29 LYS CA C 29 57.888 57.168 0.720 1 1 301 . 12 1 1 A 29 29 LYS HA H 29 4.170 4.204 -0.034 1 1 302 . 12 1 1 A 29 29 LYS CB C 29 32.564 31.502 1.062 1 1 310 . 12 1 1 A 29 29 LYS C C 29 177.124 177.362 -0.238 1 1 315 . 12 1 1 A 30 30 GLY N N 30 109.946 111.498 -1.552 1 1 316 . 12 1 1 A 30 30 GLY H H 30 8.546 8.060 0.486 1 1 317 . 12 1 1 A 30 30 GLY CA C 30 45.408 46.115 -0.707 1 1 318 . 12 1 1 A 30 30 GLY HA3 H 30 4.060 4.035 0.025 1 1 319 . 12 1 1 A 30 30 GLY C C 30 173.961 175.139 -1.178 1 1 320 . 12 1 1 A 30 30 GLY HA2 H 30 3.981 4.022 -0.041 1 1 321 . 12 1 1 A 31 31 GLU N N 31 118.290 118.315 -0.025 1 1 322 . 12 1 1 A 31 31 GLU H H 31 8.088 8.730 -0.642 1 1 323 . 12 1 1 A 31 31 GLU CA C 31 56.979 55.773 1.206 1 1 324 . 12 1 1 A 31 31 GLU HA H 31 4.418 4.514 -0.096 1 1 325 . 12 1 1 A 31 31 GLU CB C 31 31.108 30.270 0.838 1 1 329 . 12 1 1 A 31 31 GLU C C 31 176.184 174.963 1.221 1 1 332 . 12 1 1 A 32 32 ILE N N 32 121.780 121.832 -0.052 1 1 333 . 12 1 1 A 32 32 ILE H H 32 8.155 7.480 0.675 1 1 334 . 12 1 1 A 32 32 ILE CA C 32 58.252 59.141 -0.889 1 1 335 . 12 1 1 A 32 32 ILE HA H 32 5.409 5.206 0.203 1 1 336 . 12 1 1 A 32 32 ILE CB C 32 39.008 42.430 -3.422 1 1 348 . 12 1 1 A 32 32 ILE C C 32 175.262 174.239 1.023 1 1 350 . 12 1 1 A 33 33 THR N N 33 117.063 116.230 0.833 1 1 351 . 12 1 1 A 33 33 THR H H 33 8.906 8.463 0.443 1 1 352 . 12 1 1 A 33 33 THR CA C 33 59.591 59.960 -0.369 1 1 353 . 12 1 1 A 33 33 THR HA H 33 4.707 5.225 -0.518 1 1 354 . 12 1 1 A 33 33 THR CB C 33 72.003 71.837 0.166 1 1 360 . 12 1 1 A 33 33 THR C C 33 173.146 172.663 0.483 1 1 361 . 12 1 1 A 34 34 GLY N N 34 106.583 108.310 -1.727 1 1 362 . 12 1 1 A 34 34 GLY H H 34 8.603 8.471 0.132 1 1 363 . 12 1 1 A 34 34 GLY CA C 34 45.032 44.595 0.437 1 1 364 . 12 1 1 A 34 34 GLY HA3 H 34 3.424 4.486 -1.062 1 1 365 . 12 1 1 A 34 34 GLY C C 34 172.260 172.479 -0.219 1 1 366 . 12 1 1 A 34 34 GLY HA2 H 34 5.351 4.468 0.883 1 1 367 . 12 1 1 A 35 35 GLU N N 35 118.818 119.751 -0.933 1 1 368 . 12 1 1 A 35 35 GLU H H 35 8.756 8.827 -0.071 1 1 369 . 12 1 1 A 35 35 GLU CA C 35 56.375 55.526 0.849 1 1 370 . 12 1 1 A 35 35 GLU HA H 35 4.739 5.100 -0.361 1 1 371 . 12 1 1 A 35 35 GLU CB C 35 34.673 34.288 0.385 1 1 375 . 12 1 1 A 35 35 GLU C C 35 173.645 174.194 -0.549 1 1 378 . 12 1 1 A 36 36 VAL N N 36 124.835 123.883 0.952 1 1 379 . 12 1 1 A 36 36 VAL H H 36 9.291 8.903 0.388 1 1 380 . 12 1 1 A 36 36 VAL CA C 36 60.780 61.288 -0.508 1 1 381 . 12 1 1 A 36 36 VAL HA H 36 4.751 5.000 -0.249 1 1 382 . 12 1 1 A 36 36 VAL CB C 36 33.990 34.850 -0.860 1 1 392 . 12 1 1 A 36 36 VAL C C 36 174.137 174.759 -0.622 1 1 393 . 12 1 1 A 37 37 HIS N N 37 126.324 126.476 -0.152 1 1 394 . 12 1 1 A 37 37 HIS H H 37 9.294 9.188 0.106 1 1 395 . 12 1 1 A 37 37 HIS CA C 37 54.625 54.830 -0.205 1 1 396 . 12 1 1 A 37 37 HIS HA H 37 4.751 4.955 -0.204 1 1 397 . 12 1 1 A 37 37 HIS CB C 37 30.676 29.472 1.204 1 1 403 . 12 1 1 A 37 37 HIS C C 37 174.317 174.758 -0.441 1 1 405 . 12 1 1 A 38 38 MET N N 38 122.552 124.043 -1.491 1 1 406 . 12 1 1 A 38 38 MET H H 38 8.303 8.738 -0.435 1 1 407 . 12 1 1 A 38 38 MET CA C 38 54.086 55.167 -1.081 1 1 408 . 12 1 1 A 38 38 MET HA H 38 4.089 4.553 -0.464 1 1 409 . 12 1 1 A 38 38 MET CB C 38 32.900 32.230 0.670 1 1 417 . 12 1 1 A 38 38 MET C C 38 174.851 176.035 -1.184 1 1 420 . 12 1 1 A 39 39 PRO CA C 39 65.874 64.170 1.704 1 1 421 . 12 1 1 A 39 39 PRO HA H 39 4.156 4.362 -0.206 1 1 422 . 12 1 1 A 39 39 PRO CB C 39 31.312 31.846 -0.534 1 1 428 . 12 1 1 A 39 39 PRO C C 39 178.047 177.683 0.364 1 1 432 . 12 1 1 A 40 40 SER N N 40 111.214 111.492 -0.278 1 1 433 . 12 1 1 A 40 40 SER H H 40 8.759 7.797 0.962 1 1 434 . 12 1 1 A 40 40 SER CA C 40 59.667 58.859 0.808 1 1 435 . 12 1 1 A 40 40 SER HA H 40 4.089 4.454 -0.365 1 1 436 . 12 1 1 A 40 40 SER CB C 40 62.726 63.250 -0.524 1 1 438 . 12 1 1 A 40 40 SER C C 40 176.300 174.543 1.757 1 1 440 . 12 1 1 A 41 41 GLY N N 41 111.180 108.705 2.475 1 1 441 . 12 1 1 A 41 41 GLY H H 41 8.293 7.739 0.554 1 1 442 . 12 1 1 A 41 41 GLY CA C 41 44.624 45.175 -0.551 1 1 443 . 12 1 1 A 41 41 GLY HA3 H 41 3.620 4.015 -0.395 1 1 444 . 12 1 1 A 41 41 GLY C C 41 174.516 173.907 0.609 1 1 445 . 12 1 1 A 41 41 GLY HA2 H 41 4.447 4.009 0.438 1 1 446 . 12 1 1 A 42 42 LYS N N 42 120.452 119.416 1.036 1 1 447 . 12 1 1 A 42 42 LYS H H 42 7.038 7.818 -0.780 1 1 448 . 12 1 1 A 42 42 LYS CA C 42 56.944 54.383 2.561 1 1 449 . 12 1 1 A 42 42 LYS HA H 42 4.286 4.716 -0.430 1 1 450 . 12 1 1 A 42 42 LYS CB C 42 33.719 34.783 -1.064 1 1 457 . 12 1 1 A 42 42 LYS C C 42 175.050 175.210 -0.160 1 1 462 . 12 1 1 A 43 43 THR N N 43 111.705 111.858 -0.153 1 1 463 . 12 1 1 A 43 43 THR H H 43 8.110 8.879 -0.769 1 1 464 . 12 1 1 A 43 43 THR CA C 43 59.653 60.332 -0.679 1 1 465 . 12 1 1 A 43 43 THR HA H 43 5.450 5.424 0.026 1 1 466 . 12 1 1 A 43 43 THR CB C 43 71.842 72.063 -0.221 1 1 472 . 12 1 1 A 43 43 THR C C 43 174.054 173.206 0.848 1 1 473 . 12 1 1 A 44 44 ALA N N 44 123.338 122.681 0.657 1 1 474 . 12 1 1 A 44 44 ALA H H 44 8.683 8.405 0.278 1 1 475 . 12 1 1 A 44 44 ALA CA C 44 50.752 51.525 -0.773 1 1 476 . 12 1 1 A 44 44 ALA HA H 44 4.798 4.803 -0.005 1 1 477 . 12 1 1 A 44 44 ALA CB C 44 24.091 22.927 1.164 1 1 481 . 12 1 1 A 44 44 ALA C C 44 175.947 175.953 -0.006 1 1 482 . 12 1 1 A 45 45 THR N N 45 117.733 113.250 4.483 1 1 483 . 12 1 1 A 45 45 THR H H 45 8.934 8.499 0.435 1 1 484 . 12 1 1 A 45 45 THR CA C 45 59.517 59.542 -0.025 1 1 485 . 12 1 1 A 45 45 THR HA H 45 4.894 4.774 0.120 1 1 486 . 12 1 1 A 45 45 THR CB C 45 70.403 69.389 1.014 1 1 492 . 12 1 1 A 45 45 THR C C 45 173.394 173.534 -0.140 1 1 493 . 12 1 1 A 46 46 PRO CA C 46 62.017 62.161 -0.144 1 1 494 . 12 1 1 A 46 46 PRO HA H 46 4.978 4.617 0.361 1 1 495 . 12 1 1 A 46 46 PRO CB C 46 32.885 32.699 0.186 1 1 501 . 12 1 1 A 46 46 PRO C C 46 173.937 175.916 -1.979 1 1 505 . 12 1 1 A 47 47 GLU N N 47 120.450 120.598 -0.148 1 1 506 . 12 1 1 A 47 47 GLU H H 47 8.894 8.927 -0.033 1 1 507 . 12 1 1 A 47 47 GLU CA C 47 56.040 55.820 0.220 1 1 508 . 12 1 1 A 47 47 GLU HA H 47 4.409 4.719 -0.310 1 1 509 . 12 1 1 A 47 47 GLU CB C 47 31.436 31.011 0.425 1 1 513 . 12 1 1 A 47 47 GLU C C 47 175.160 174.943 0.217 1 1 516 . 12 1 1 A 48 48 ILE N N 48 124.818 126.940 -2.122 1 1 517 . 12 1 1 A 48 48 ILE H H 48 8.467 8.752 -0.285 1 1 518 . 12 1 1 A 48 48 ILE CA C 48 60.408 60.492 -0.084 1 1 519 . 12 1 1 A 48 48 ILE HA H 48 4.727 4.619 0.108 1 1 520 . 12 1 1 A 48 48 ILE CB C 48 38.177 39.693 -1.516 1 1 532 . 12 1 1 A 48 48 ILE C C 48 175.681 174.550 1.131 1 1 534 . 12 1 1 A 49 49 VAL N N 49 129.411 127.715 1.696 1 1 535 . 12 1 1 A 49 49 VAL H H 49 9.417 9.062 0.355 1 1 536 . 12 1 1 A 49 49 VAL CA C 49 61.259 60.703 0.556 1 1 537 . 12 1 1 A 49 49 VAL HA H 49 4.188 4.569 -0.381 1 1 538 . 12 1 1 A 49 49 VAL CB C 49 34.719 35.037 -0.318 1 1 548 . 12 1 1 A 49 49 VAL C C 49 174.654 174.186 0.468 1 1 549 . 12 1 1 A 50 50 ASP N N 50 125.078 127.726 -2.648 1 1 550 . 12 1 1 A 50 50 ASP H H 50 8.664 8.656 0.008 1 1 551 . 12 1 1 A 50 50 ASP CA C 50 53.899 53.425 0.474 1 1 552 . 12 1 1 A 50 50 ASP HA H 50 4.683 5.092 -0.409 1 1 553 . 12 1 1 A 50 50 ASP CB C 50 41.270 42.105 -0.835 1 1 555 . 12 1 1 A 50 50 ASP C C 50 176.440 176.288 0.152 1 1 557 . 12 1 1 A 51 51 ASN N N 51 123.926 124.970 -1.044 1 1 558 . 12 1 1 A 51 51 ASN H H 51 8.212 9.078 -0.866 1 1 559 . 12 1 1 A 51 51 ASN CA C 51 53.917 53.419 0.498 1 1 560 . 12 1 1 A 51 51 ASN HA H 51 4.703 4.790 -0.087 1 1 561 . 12 1 1 A 51 51 ASN CB C 51 38.667 39.642 -0.975 1 1 566 . 12 1 1 A 51 51 ASN C C 51 176.260 176.266 -0.006 1 1 568 . 12 1 1 A 52 52 LYS N N 52 115.640 123.351 -7.711 1 1 569 . 12 1 1 A 52 52 LYS H H 52 9.145 8.659 0.486 1 1 570 . 12 1 1 A 52 52 LYS CA C 52 58.127 57.058 1.069 1 1 571 . 12 1 1 A 52 52 LYS HA H 52 4.040 4.329 -0.289 1 1 572 . 12 1 1 A 52 52 LYS CB C 52 29.405 32.657 -3.252 1 1 580 . 12 1 1 A 52 52 LYS C C 52 175.471 177.772 -2.301 1 1 585 . 12 1 1 A 53 53 ASP N N 53 117.607 118.210 -0.603 1 1 586 . 12 1 1 A 53 53 ASP H H 53 7.824 7.749 0.075 1 1 587 . 12 1 1 A 53 53 ASP CA C 53 52.598 54.111 -1.513 1 1 588 . 12 1 1 A 53 53 ASP HA H 53 4.690 4.693 -0.003 1 1 589 . 12 1 1 A 53 53 ASP CB C 53 40.929 42.077 -1.148 1 1 591 . 12 1 1 A 53 53 ASP C C 53 177.173 176.228 0.945 1 1 593 . 12 1 1 A 54 54 GLY N N 54 108.692 105.922 2.770 1 1 594 . 12 1 1 A 54 54 GLY H H 54 8.548 8.065 0.483 1 1 595 . 12 1 1 A 54 54 GLY CA C 54 45.161 45.112 0.049 1 1 596 . 12 1 1 A 54 54 GLY HA3 H 54 3.653 4.032 -0.379 1 1 597 . 12 1 1 A 54 54 GLY C C 54 173.737 173.584 0.153 1 1 598 . 12 1 1 A 54 54 GLY HA2 H 54 4.372 4.029 0.343 1 1 599 . 12 1 1 A 55 55 THR N N 55 110.165 109.969 0.196 1 1 600 . 12 1 1 A 55 55 THR H H 55 7.929 7.512 0.417 1 1 601 . 12 1 1 A 55 55 THR CA C 55 60.412 59.577 0.835 1 1 602 . 12 1 1 A 55 55 THR HA H 55 5.100 4.920 0.180 1 1 603 . 12 1 1 A 55 55 THR CB C 55 73.027 72.901 0.126 1 1 609 . 12 1 1 A 55 55 THR C C 55 174.206 172.994 1.212 1 1 610 . 12 1 1 A 56 56 VAL N N 56 115.822 120.147 -4.325 1 1 611 . 12 1 1 A 56 56 VAL H H 56 8.581 8.376 0.205 1 1 612 . 12 1 1 A 56 56 VAL CA C 56 59.608 60.062 -0.454 1 1 613 . 12 1 1 A 56 56 VAL HA H 56 5.132 5.293 -0.161 1 1 614 . 12 1 1 A 56 56 VAL CB C 56 35.607 34.876 0.731 1 1 624 . 12 1 1 A 56 56 VAL C C 56 174.437 174.339 0.098 1 1 625 . 12 1 1 A 57 57 THR N N 57 120.574 121.807 -1.233 1 1 626 . 12 1 1 A 57 57 THR H H 57 9.151 8.607 0.544 1 1 627 . 12 1 1 A 57 57 THR CA C 57 61.543 61.693 -0.150 1 1 628 . 12 1 1 A 57 57 THR HA H 57 5.021 4.796 0.225 1 1 629 . 12 1 1 A 57 57 THR CB C 57 71.080 69.168 1.912 1 1 635 . 12 1 1 A 57 57 THR C C 57 173.190 173.603 -0.413 1 1 636 . 12 1 1 A 58 58 VAL N N 58 127.832 127.954 -0.122 1 1 637 . 12 1 1 A 58 58 VAL H H 58 9.296 9.085 0.211 1 1 638 . 12 1 1 A 58 58 VAL CA C 58 61.204 62.210 -1.006 1 1 639 . 12 1 1 A 58 58 VAL HA H 58 4.774 4.485 0.289 1 1 640 . 12 1 1 A 58 58 VAL CB C 58 32.626 30.698 1.928 1 1 650 . 12 1 1 A 58 58 VAL C C 58 173.991 174.643 -0.652 1 1 651 . 12 1 1 A 59 59 ARG N N 59 126.761 129.325 -2.564 1 1 652 . 12 1 1 A 59 59 ARG H H 59 9.190 8.716 0.474 1 1 653 . 12 1 1 A 59 59 ARG CA C 59 54.384 54.289 0.095 1 1 654 . 12 1 1 A 59 59 ARG HA H 59 5.488 5.366 0.122 1 1 655 . 12 1 1 A 59 59 ARG CB C 59 34.262 34.203 0.059 1 1 661 . 12 1 1 A 59 59 ARG C C 59 174.849 173.924 0.925 1 1 665 . 12 1 1 A 60 60 TYR N N 60 123.838 126.487 -2.649 1 1 666 . 12 1 1 A 60 60 TYR H H 60 9.164 8.386 0.778 1 1 667 . 12 1 1 A 60 60 TYR CA C 60 56.684 57.653 -0.969 1 1 668 . 12 1 1 A 60 60 TYR HA H 60 5.024 5.146 -0.122 1 1 669 . 12 1 1 A 60 60 TYR CB C 60 42.761 42.059 0.702 1 1 675 . 12 1 1 A 60 60 TYR C C 60 171.861 173.526 -1.665 1 1 677 . 12 1 1 A 61 61 ALA N N 61 134.382 128.019 6.363 1 1 678 . 12 1 1 A 61 61 ALA H H 61 8.023 8.286 -0.263 1 1 679 . 12 1 1 A 61 61 ALA CA C 61 47.869 48.298 -0.429 1 1 680 . 12 1 1 A 61 61 ALA HA H 61 4.670 4.516 0.154 1 1 681 . 12 1 1 A 61 61 ALA CB C 61 18.685 20.172 -1.487 1 1 685 . 12 1 1 A 61 61 ALA C C 61 172.714 175.430 -2.716 1 1 686 . 12 1 1 A 62 62 PRO CA C 62 62.455 62.627 -0.172 1 1 687 . 12 1 1 A 62 62 PRO HA H 62 4.137 4.482 -0.345 1 1 688 . 12 1 1 A 62 62 PRO CB C 62 33.972 31.947 2.025 1 1 694 . 12 1 1 A 62 62 PRO C C 62 175.567 176.824 -1.257 1 1 698 . 12 1 1 A 63 63 THR N N 63 106.145 110.784 -4.639 1 1 699 . 12 1 1 A 63 63 THR H H 63 8.819 8.477 0.342 1 1 700 . 12 1 1 A 63 63 THR CA C 63 60.795 61.995 -1.200 1 1 701 . 12 1 1 A 63 63 THR HA H 63 4.278 4.423 -0.145 1 1 702 . 12 1 1 A 63 63 THR CB C 63 70.379 69.479 0.900 1 1 708 . 12 1 1 A 63 63 THR C C 63 173.771 175.182 -1.411 1 1 709 . 12 1 1 A 64 64 GLU N N 64 119.851 119.871 -0.020 1 1 710 . 12 1 1 A 64 64 GLU H H 64 7.217 7.704 -0.487 1 1 711 . 12 1 1 A 64 64 GLU CA C 64 54.483 54.928 -0.445 1 1 712 . 12 1 1 A 64 64 GLU HA H 64 4.560 5.101 -0.541 1 1 713 . 12 1 1 A 64 64 GLU CB C 64 33.675 34.981 -1.306 1 1 717 . 12 1 1 A 64 64 GLU C C 64 173.177 175.381 -2.204 1 1 720 . 12 1 1 A 65 65 VAL N N 65 114.914 118.856 -3.942 1 1 721 . 12 1 1 A 65 65 VAL H H 65 7.740 8.557 -0.817 1 1 722 . 12 1 1 A 65 65 VAL CA C 65 61.412 60.854 0.558 1 1 723 . 12 1 1 A 65 65 VAL HA H 65 3.730 4.275 -0.545 1 1 724 . 12 1 1 A 65 65 VAL CB C 65 33.477 33.467 0.010 1 1 734 . 12 1 1 A 65 65 VAL C C 65 176.588 174.703 1.885 1 1 735 . 12 1 1 A 66 66 GLY N N 66 108.948 108.641 0.307 1 1 736 . 12 1 1 A 66 66 GLY H H 66 8.821 7.512 1.309 1 1 737 . 12 1 1 A 66 66 GLY CA C 66 43.304 43.578 -0.274 1 1 738 . 12 1 1 A 66 66 GLY HA3 H 66 4.468 3.945 0.523 1 1 739 . 12 1 1 A 66 66 GLY C C 66 175.811 172.003 3.808 1 1 740 . 12 1 1 A 66 66 GLY HA2 H 66 3.184 3.852 -0.668 1 1 741 . 12 1 1 A 67 67 LEU N N 67 126.594 122.007 4.587 1 1 742 . 12 1 1 A 67 67 LEU H H 67 9.023 8.278 0.745 1 1 743 . 12 1 1 A 67 67 LEU CA C 67 56.432 53.927 2.505 1 1 744 . 12 1 1 A 67 67 LEU HA H 67 4.137 4.665 -0.528 1 1 745 . 12 1 1 A 67 67 LEU CB C 67 41.933 43.194 -1.261 1 1 757 . 12 1 1 A 67 67 LEU C C 67 174.817 174.621 0.196 1 1 759 . 12 1 1 A 68 68 HIS N N 68 127.130 126.226 0.904 1 1 760 . 12 1 1 A 68 68 HIS H H 68 9.165 8.354 0.811 1 1 761 . 12 1 1 A 68 68 HIS CA C 68 54.518 54.393 0.125 1 1 762 . 12 1 1 A 68 68 HIS HA H 68 4.562 4.996 -0.434 1 1 763 . 12 1 1 A 68 68 HIS CB C 68 32.159 31.466 0.693 1 1 769 . 12 1 1 A 68 68 HIS C C 68 173.717 173.601 0.116 1 1 771 . 12 1 1 A 69 69 GLU N N 69 116.428 124.151 -7.723 1 1 772 . 12 1 1 A 69 69 GLU H H 69 8.096 8.761 -0.665 1 1 773 . 12 1 1 A 69 69 GLU CA C 69 54.625 55.051 -0.426 1 1 774 . 12 1 1 A 69 69 GLU HA H 69 5.274 5.325 -0.051 1 1 775 . 12 1 1 A 69 69 GLU CB C 69 34.361 32.623 1.738 1 1 779 . 12 1 1 A 69 69 GLU C C 69 174.811 175.453 -0.642 1 1 782 . 12 1 1 A 70 70 MET N N 70 126.104 127.961 -1.857 1 1 783 . 12 1 1 A 70 70 MET H H 70 9.874 9.308 0.566 1 1 784 . 12 1 1 A 70 70 MET CA C 70 54.399 54.814 -0.415 1 1 785 . 12 1 1 A 70 70 MET HA H 70 5.272 5.191 0.081 1 1 786 . 12 1 1 A 70 70 MET CB C 70 36.158 34.427 1.731 1 1 794 . 12 1 1 A 70 70 MET C C 70 173.699 175.544 -1.845 1 1 797 . 12 1 1 A 71 71 HIS N N 71 129.007 123.137 5.870 1 1 798 . 12 1 1 A 71 71 HIS H H 71 9.533 9.657 -0.124 1 1 799 . 12 1 1 A 71 71 HIS CA C 71 54.201 54.615 -0.414 1 1 800 . 12 1 1 A 71 71 HIS HA H 71 5.273 5.272 0.001 1 1 801 . 12 1 1 A 71 71 HIS CB C 71 33.546 31.973 1.573 1 1 807 . 12 1 1 A 71 71 HIS C C 71 174.997 174.407 0.590 1 1 809 . 12 1 1 A 72 72 ILE N N 72 126.123 123.759 2.364 1 1 810 . 12 1 1 A 72 72 ILE H H 72 9.842 9.133 0.709 1 1 811 . 12 1 1 A 72 72 ILE CA C 72 60.037 60.469 -0.432 1 1 812 . 12 1 1 A 72 72 ILE HA H 72 4.885 4.968 -0.083 1 1 813 . 12 1 1 A 72 72 ILE CB C 72 40.102 40.789 -0.687 1 1 825 . 12 1 1 A 72 72 ILE C C 72 173.955 175.176 -1.221 1 1 827 . 12 1 1 A 73 73 LYS N N 73 124.414 126.667 -2.253 1 1 828 . 12 1 1 A 73 73 LYS H H 73 8.854 8.756 0.098 1 1 829 . 12 1 1 A 73 73 LYS CA C 73 54.200 54.930 -0.730 1 1 830 . 12 1 1 A 73 73 LYS HA H 73 4.964 4.892 0.072 1 1 831 . 12 1 1 A 73 73 LYS CB C 73 36.335 34.955 1.380 1 1 839 . 12 1 1 A 73 73 LYS C C 73 174.360 174.140 0.220 1 1 844 . 12 1 1 A 74 74 TYR N N 74 121.190 126.486 -5.296 1 1 845 . 12 1 1 A 74 74 TYR H H 74 8.979 9.235 -0.256 1 1 846 . 12 1 1 A 74 74 TYR CA C 74 55.271 57.447 -2.176 1 1 847 . 12 1 1 A 74 74 TYR HA H 74 5.365 4.883 0.482 1 1 848 . 12 1 1 A 74 74 TYR CB C 74 41.143 40.387 0.756 1 1 858 . 12 1 1 A 74 74 TYR C C 74 175.646 175.042 0.604 1 1 860 . 12 1 1 A 75 75 MET N N 75 125.219 127.251 -2.032 1 1 861 . 12 1 1 A 75 75 MET H H 75 9.096 9.562 -0.466 1 1 862 . 12 1 1 A 75 75 MET CA C 75 56.166 56.672 -0.506 1 1 863 . 12 1 1 A 75 75 MET HA H 75 3.920 4.278 -0.358 1 1 864 . 12 1 1 A 75 75 MET CB C 75 29.423 31.149 -1.726 1 1 872 . 12 1 1 A 75 75 MET C C 75 176.809 176.361 0.448 1 1 875 . 12 1 1 A 76 76 GLY N N 76 102.874 104.701 -1.827 1 1 876 . 12 1 1 A 76 76 GLY H H 76 8.573 8.656 -0.083 1 1 877 . 12 1 1 A 76 76 GLY CA C 76 45.421 45.922 -0.501 1 1 878 . 12 1 1 A 76 76 GLY HA3 H 76 4.221 3.835 0.386 1 1 879 . 12 1 1 A 76 76 GLY C C 76 174.014 173.834 0.180 1 1 880 . 12 1 1 A 76 76 GLY HA2 H 76 3.471 3.827 -0.356 1 1 881 . 12 1 1 A 77 77 SER N N 77 115.868 115.455 0.413 1 1 882 . 12 1 1 A 77 77 SER H H 77 7.609 7.644 -0.035 1 1 883 . 12 1 1 A 77 77 SER CA C 77 56.956 57.658 -0.702 1 1 884 . 12 1 1 A 77 77 SER HA H 77 4.935 4.824 0.111 1 1 885 . 12 1 1 A 77 77 SER CB C 77 65.336 65.800 -0.464 1 1 887 . 12 1 1 A 77 77 SER C C 77 173.677 173.011 0.666 1 1 889 . 12 1 1 A 78 78 HIS N N 78 124.606 124.267 0.339 1 1 890 . 12 1 1 A 78 78 HIS H H 78 8.751 8.868 -0.117 1 1 891 . 12 1 1 A 78 78 HIS CA C 78 59.005 57.331 1.674 1 1 892 . 12 1 1 A 78 78 HIS HA H 78 4.617 4.771 -0.154 1 1 893 . 12 1 1 A 78 78 HIS CB C 78 32.066 30.640 1.426 1 1 899 . 12 1 1 A 78 78 HIS C C 78 178.429 175.870 2.559 1 1 901 . 12 1 1 A 79 79 ILE N N 79 117.547 120.060 -2.513 1 1 902 . 12 1 1 A 79 79 ILE H H 79 8.102 8.268 -0.166 1 1 903 . 12 1 1 A 79 79 ILE CA C 79 61.442 59.278 2.164 1 1 904 . 12 1 1 A 79 79 ILE HA H 79 4.737 4.575 0.162 1 1 905 . 12 1 1 A 79 79 ILE CB C 79 35.644 38.031 -2.387 1 1 917 . 12 1 1 A 79 79 ILE C C 79 174.657 176.403 -1.746 1 1 919 . 12 1 1 A 80 80 PRO CA C 80 66.398 64.331 2.067 1 1 920 . 12 1 1 A 80 80 PRO HA H 80 4.296 4.568 -0.272 1 1 921 . 12 1 1 A 80 80 PRO CB C 80 31.380 31.565 -0.185 1 1 927 . 12 1 1 A 80 80 PRO C C 80 177.763 177.421 0.342 1 1 931 . 12 1 1 A 81 81 GLU N N 81 114.279 117.750 -3.471 1 1 932 . 12 1 1 A 81 81 GLU H H 81 8.913 8.443 0.470 1 1 933 . 12 1 1 A 81 81 GLU CA C 81 58.285 56.606 1.679 1 1 934 . 12 1 1 A 81 81 GLU HA H 81 4.043 4.599 -0.556 1 1 935 . 12 1 1 A 81 81 GLU CB C 81 29.010 31.331 -2.321 1 1 939 . 12 1 1 A 81 81 GLU C C 81 174.743 175.393 -0.650 1 1 942 . 12 1 1 A 82 82 SER N N 82 112.700 113.744 -1.044 1 1 943 . 12 1 1 A 82 82 SER H H 82 7.918 7.668 0.250 1 1 944 . 12 1 1 A 82 82 SER CA C 82 54.519 56.006 -1.487 1 1 945 . 12 1 1 A 82 82 SER HA H 82 4.798 4.952 -0.154 1 1 946 . 12 1 1 A 82 82 SER CB C 82 64.077 66.229 -2.152 1 1 948 . 12 1 1 A 82 82 SER C C 82 173.394 171.554 1.840 1 1 950 . 12 1 1 A 83 83 PRO CA C 83 62.597 62.736 -0.139 1 1 951 . 12 1 1 A 83 83 PRO HA H 83 5.247 4.979 0.268 1 1 952 . 12 1 1 A 83 83 PRO CB C 83 34.681 32.401 2.280 1 1 958 . 12 1 1 A 83 83 PRO C C 83 175.783 176.414 -0.631 1 1 962 . 12 1 1 A 84 84 LEU N N 84 123.427 117.029 6.398 1 1 963 . 12 1 1 A 84 84 LEU H H 84 9.099 8.008 1.091 1 1 964 . 12 1 1 A 84 84 LEU CA C 84 54.413 52.291 2.122 1 1 965 . 12 1 1 A 84 84 LEU HA H 84 4.893 5.289 -0.396 1 1 966 . 12 1 1 A 84 84 LEU CB C 84 44.452 46.181 -1.729 1 1 978 . 12 1 1 A 84 84 LEU C C 84 176.054 175.527 0.527 1 1 980 . 12 1 1 A 85 85 GLN N N 85 122.438 118.459 3.979 1 1 981 . 12 1 1 A 85 85 GLN H H 85 8.869 8.598 0.271 1 1 982 . 12 1 1 A 85 85 GLN CA C 85 54.811 54.136 0.675 1 1 983 . 12 1 1 A 85 85 GLN HA H 85 5.359 5.237 0.122 1 1 984 . 12 1 1 A 85 85 GLN CB C 85 30.972 32.110 -1.138 1 1 991 . 12 1 1 A 85 85 GLN C C 85 175.687 174.960 0.727 1 1 994 . 12 1 1 A 86 86 PHE N N 86 118.108 119.334 -1.226 1 1 995 . 12 1 1 A 86 86 PHE H H 86 8.483 8.486 -0.003 1 1 996 . 12 1 1 A 86 86 PHE CA C 86 56.104 55.552 0.552 1 1 997 . 12 1 1 A 86 86 PHE HA H 86 4.917 5.467 -0.550 1 1 998 . 12 1 1 A 86 86 PHE CB C 86 40.732 41.967 -1.235 1 1 1010 . 12 1 1 A 86 86 PHE C C 86 171.607 172.857 -1.250 1 1 1012 . 12 1 1 A 87 87 TYR N N 87 124.521 125.355 -0.834 1 1 1013 . 12 1 1 A 87 87 TYR H H 87 9.179 9.098 0.081 1 1 1014 . 12 1 1 A 87 87 TYR CA C 87 57.832 58.684 -0.852 1 1 1015 . 12 1 1 A 87 87 TYR HA H 87 4.643 4.992 -0.349 1 1 1016 . 12 1 1 A 87 87 TYR CB C 87 40.731 39.887 0.844 1 1 1026 . 12 1 1 A 87 87 TYR C C 87 175.145 174.327 0.818 1 1 1028 . 12 1 1 A 88 88 VAL N N 88 129.828 126.875 2.953 1 1 1029 . 12 1 1 A 88 88 VAL H H 88 7.865 7.838 0.027 1 1 1030 . 12 1 1 A 88 88 VAL CA C 88 61.875 60.649 1.226 1 1 1031 . 12 1 1 A 88 88 VAL HA H 88 4.219 4.577 -0.358 1 1 1032 . 12 1 1 A 88 88 VAL CB C 88 32.943 34.430 -1.487 1 1 1042 . 12 1 1 A 88 88 VAL C C 88 174.472 174.744 -0.272 1 1 1043 . 12 1 1 A 89 89 ASN N N 89 124.798 125.705 -0.907 1 1 1044 . 12 1 1 A 89 89 ASN H H 89 8.649 8.549 0.100 1 1 1045 . 12 1 1 A 89 89 ASN CA C 89 52.062 52.340 -0.278 1 1 1046 . 12 1 1 A 89 89 ASN HA H 89 5.024 5.108 -0.084 1 1 1047 . 12 1 1 A 89 89 ASN CB C 89 41.470 40.332 1.138 1 1 1052 . 12 1 1 A 89 89 ASN C C 89 175.232 173.947 1.285 1 1 1054 . 12 1 1 A 90 90 TYR N N 90 119.662 123.425 -3.763 1 1 1055 . 12 1 1 A 90 90 TYR H H 90 8.559 8.819 -0.260 1 1 1056 . 12 1 1 A 90 90 TYR CA C 90 58.020 55.827 2.193 1 1 1057 . 12 1 1 A 90 90 TYR HA H 90 4.485 5.316 -0.831 1 1 1058 . 12 1 1 A 90 90 TYR CB C 90 37.880 42.228 -4.348 1 1 1068 . 12 1 1 A 90 90 TYR C C 90 174.972 173.754 1.218 1 1 1070 . 12 1 1 A 91 91 PRO CA C 91 63.396 62.437 0.959 1 1 1071 . 12 1 1 A 91 91 PRO HA H 91 4.337 4.447 -0.110 1 1 1072 . 12 1 1 A 91 91 PRO CB C 91 32.028 31.601 0.427 1 1 1081 . 12 1 1 A 92 92 ASN N N 92 118.175 116.912 1.263 1 1 1082 . 12 1 1 A 92 92 ASN H H 92 8.429 8.371 0.058 1 1 1083 . 12 1 1 A 92 92 ASN CA C 92 53.343 52.249 1.094 1 1 1084 . 12 1 1 A 92 92 ASN HA H 92 4.691 5.119 -0.428 1 1 1085 . 12 1 1 A 92 92 ASN CB C 92 39.000 38.488 0.512 1 1 1091 . 12 1 1 A 93 93 SER N N 93 115.984 113.909 2.075 1 1 1092 . 12 1 1 A 93 93 SER H H 93 8.344 8.305 0.039 1 1 1093 . 12 1 1 A 93 93 SER CA C 93 58.618 56.361 2.257 1 1 1094 . 12 1 1 A 93 93 SER HA H 93 4.474 5.408 -0.934 1 1 1095 . 12 1 1 A 93 93 SER CB C 93 63.894 65.447 -1.553 1 1 1098 . 12 1 1 A 94 94 GLY N N 94 111.442 108.802 2.640 1 1 1099 . 12 1 1 A 94 94 GLY H H 94 8.499 8.469 0.030 1 1 1100 . 12 1 1 A 94 94 GLY CA C 94 45.417 45.577 -0.160 1 1 1101 . 12 1 1 A 94 94 GLY HA3 H 94 4.016 4.196 -0.180 1 1 1102 . 12 1 1 A 94 94 GLY C C 94 173.391 172.411 0.980 1 1 1103 . 12 1 1 A 94 94 GLY HA2 H 94 4.016 4.187 -0.171 1 1 1 . 13 1 1 A 2 2 SER CA C 2 58.268 57.717 0.551 1 1 2 . 13 1 1 A 2 2 SER CB C 2 63.729 65.188 -1.459 1 1 3 . 13 1 1 A 2 2 SER C C 2 174.818 173.661 1.157 1 1 4 . 13 1 1 A 3 3 SER CA C 3 58.693 56.852 1.841 1 1 5 . 13 1 1 A 3 3 SER CB C 3 63.906 65.679 -1.773 1 1 6 . 13 1 1 A 3 3 SER C C 3 174.981 173.219 1.762 1 1 7 . 13 1 1 A 5 5 SER C C 5 178.688 174.295 4.393 1 1 8 . 13 1 1 A 6 6 SER CA C 6 58.453 59.192 -0.739 1 1 9 . 13 1 1 A 6 6 SER HA H 6 4.502 3.961 0.541 1 1 10 . 13 1 1 A 6 6 SER CB C 6 63.956 61.872 2.084 1 1 13 . 13 1 1 A 7 7 GLY N N 7 110.931 106.936 3.995 1 1 14 . 13 1 1 A 7 7 GLY H H 7 8.436 8.142 0.294 1 1 15 . 13 1 1 A 7 7 GLY CA C 7 45.357 46.336 -0.979 1 1 16 . 13 1 1 A 7 7 GLY HA3 H 7 3.979 3.988 -0.009 1 1 17 . 13 1 1 A 7 7 GLY C C 7 174.128 173.763 0.365 1 1 18 . 13 1 1 A 7 7 GLY HA2 H 7 3.979 3.986 -0.007 1 1 19 . 13 1 1 A 8 8 VAL N N 8 119.070 121.135 -2.065 1 1 20 . 13 1 1 A 8 8 VAL H H 8 8.006 7.882 0.124 1 1 21 . 13 1 1 A 8 8 VAL CA C 8 62.332 61.876 0.456 1 1 22 . 13 1 1 A 8 8 VAL HA H 8 4.180 4.278 -0.098 1 1 23 . 13 1 1 A 8 8 VAL CB C 8 32.819 30.819 2.000 1 1 33 . 13 1 1 A 8 8 VAL C C 8 176.359 174.775 1.584 1 1 34 . 13 1 1 A 9 9 SER N N 9 119.223 121.473 -2.250 1 1 35 . 13 1 1 A 9 9 SER H H 9 8.418 8.726 -0.308 1 1 36 . 13 1 1 A 9 9 SER CA C 9 58.392 56.899 1.493 1 1 37 . 13 1 1 A 9 9 SER HA H 9 4.469 5.088 -0.619 1 1 38 . 13 1 1 A 9 9 SER CB C 9 63.948 64.291 -0.343 1 1 40 . 13 1 1 A 9 9 SER C C 9 174.256 173.694 0.562 1 1 42 . 13 1 1 A 10 10 ASP N N 10 122.453 126.149 -3.696 1 1 43 . 13 1 1 A 10 10 ASP H H 10 8.311 8.941 -0.630 1 1 44 . 13 1 1 A 10 10 ASP CA C 10 54.450 53.711 0.739 1 1 45 . 13 1 1 A 10 10 ASP HA H 10 4.592 4.790 -0.198 1 1 46 . 13 1 1 A 10 10 ASP CB C 10 41.174 39.662 1.512 1 1 48 . 13 1 1 A 10 10 ASP C C 10 176.480 175.318 1.162 1 1 50 . 13 1 1 A 11 11 MET N N 11 120.428 121.288 -0.860 1 1 51 . 13 1 1 A 11 11 MET H H 11 8.340 7.957 0.383 1 1 52 . 13 1 1 A 11 11 MET CA C 11 55.757 56.052 -0.295 1 1 53 . 13 1 1 A 11 11 MET HA H 11 4.418 4.436 -0.018 1 1 54 . 13 1 1 A 11 11 MET CB C 11 32.457 34.006 -1.549 1 1 62 . 13 1 1 A 11 11 MET C C 11 176.391 176.045 0.346 1 1 65 . 13 1 1 A 12 12 ASN N N 12 118.914 122.778 -3.864 1 1 66 . 13 1 1 A 12 12 ASN H H 12 8.416 8.913 -0.497 1 1 67 . 13 1 1 A 12 12 ASN CA C 12 53.687 54.644 -0.957 1 1 68 . 13 1 1 A 12 12 ASN HA H 12 4.660 4.520 0.140 1 1 69 . 13 1 1 A 12 12 ASN CB C 12 38.924 39.977 -1.053 1 1 74 . 13 1 1 A 12 12 ASN C C 12 175.770 175.338 0.432 1 1 76 . 13 1 1 A 13 13 GLY N N 13 108.888 106.991 1.897 1 1 77 . 13 1 1 A 13 13 GLY H H 13 8.317 8.056 0.261 1 1 78 . 13 1 1 A 13 13 GLY CA C 13 45.658 46.218 -0.560 1 1 79 . 13 1 1 A 13 13 GLY HA3 H 13 3.920 3.924 -0.004 1 1 80 . 13 1 1 A 13 13 GLY C C 13 174.275 175.744 -1.469 1 1 81 . 13 1 1 A 13 13 GLY HA2 H 13 3.920 3.920 0.000 1 1 82 . 13 1 1 A 14 14 LEU N N 14 120.990 126.316 -5.326 1 1 83 . 13 1 1 A 14 14 LEU H H 14 8.015 8.721 -0.706 1 1 84 . 13 1 1 A 14 14 LEU CA C 14 55.074 57.613 -2.539 1 1 85 . 13 1 1 A 14 14 LEU HA H 14 4.283 4.018 0.265 1 1 86 . 13 1 1 A 14 14 LEU CB C 14 42.572 42.390 0.182 1 1 98 . 13 1 1 A 14 14 LEU C C 14 177.365 176.843 0.522 1 1 100 . 13 1 1 A 15 15 GLY N N 15 107.853 104.373 3.480 1 1 101 . 13 1 1 A 15 15 GLY H H 15 8.198 7.312 0.886 1 1 102 . 13 1 1 A 15 15 GLY CA C 15 44.968 45.951 -0.983 1 1 103 . 13 1 1 A 15 15 GLY HA3 H 15 3.823 3.883 -0.060 1 1 104 . 13 1 1 A 15 15 GLY C C 15 173.829 173.106 0.723 1 1 105 . 13 1 1 A 15 15 GLY HA2 H 15 3.783 3.680 0.103 1 1 106 . 13 1 1 A 16 16 PHE N N 16 118.501 120.299 -1.798 1 1 107 . 13 1 1 A 16 16 PHE H H 16 7.868 7.538 0.330 1 1 108 . 13 1 1 A 16 16 PHE CA C 16 57.837 58.582 -0.745 1 1 109 . 13 1 1 A 16 16 PHE HA H 16 4.442 4.399 0.043 1 1 110 . 13 1 1 A 16 16 PHE CB C 16 40.278 39.742 0.536 1 1 122 . 13 1 1 A 16 16 PHE C C 16 176.569 176.007 0.562 1 1 124 . 13 1 1 A 17 17 LYS N N 17 126.087 122.337 3.750 1 1 125 . 13 1 1 A 17 17 LYS H H 17 8.611 8.464 0.147 1 1 126 . 13 1 1 A 17 17 LYS CA C 17 54.271 54.593 -0.322 1 1 127 . 13 1 1 A 17 17 LYS HA H 17 4.573 4.580 -0.007 1 1 128 . 13 1 1 A 17 17 LYS CB C 17 32.818 31.919 0.899 1 1 136 . 13 1 1 A 17 17 LYS C C 17 174.147 174.591 -0.444 1 1 141 . 13 1 1 A 18 18 PRO CA C 18 62.850 62.578 0.272 1 1 142 . 13 1 1 A 18 18 PRO HA H 18 4.647 4.738 -0.091 1 1 143 . 13 1 1 A 18 18 PRO CB C 18 31.990 32.642 -0.652 1 1 149 . 13 1 1 A 18 18 PRO C C 18 176.220 175.640 0.580 1 1 153 . 13 1 1 A 19 19 PHE N N 19 123.581 123.428 0.153 1 1 154 . 13 1 1 A 19 19 PHE H H 19 8.905 8.617 0.288 1 1 155 . 13 1 1 A 19 19 PHE CA C 19 57.402 56.486 0.916 1 1 156 . 13 1 1 A 19 19 PHE HA H 19 4.502 4.949 -0.447 1 1 157 . 13 1 1 A 19 19 PHE CB C 19 41.432 42.134 -0.702 1 1 169 . 13 1 1 A 19 19 PHE C C 19 173.078 172.820 0.258 1 1 171 . 13 1 1 A 20 20 ASP N N 20 126.229 128.195 -1.966 1 1 172 . 13 1 1 A 20 20 ASP H H 20 7.412 8.860 -1.448 1 1 173 . 13 1 1 A 20 20 ASP CA C 20 52.686 52.453 0.233 1 1 174 . 13 1 1 A 20 20 ASP HA H 20 5.248 5.136 0.112 1 1 175 . 13 1 1 A 20 20 ASP CB C 20 44.081 44.351 -0.270 1 1 177 . 13 1 1 A 20 20 ASP C C 20 174.098 173.627 0.471 1 1 179 . 13 1 1 A 21 21 LEU N N 21 123.421 124.728 -1.307 1 1 180 . 13 1 1 A 21 21 LEU H H 21 8.641 8.247 0.394 1 1 181 . 13 1 1 A 21 21 LEU CA C 21 54.201 54.212 -0.011 1 1 182 . 13 1 1 A 21 21 LEU HA H 21 4.367 4.748 -0.381 1 1 183 . 13 1 1 A 21 21 LEU CB C 21 46.118 45.950 0.168 1 1 195 . 13 1 1 A 21 21 LEU C C 21 174.294 173.734 0.560 1 1 197 . 13 1 1 A 22 22 VAL N N 22 127.339 124.995 2.344 1 1 198 . 13 1 1 A 22 22 VAL H H 22 8.451 8.937 -0.486 1 1 199 . 13 1 1 A 22 22 VAL CA C 22 61.986 60.370 1.616 1 1 200 . 13 1 1 A 22 22 VAL HA H 22 4.572 4.752 -0.180 1 1 201 . 13 1 1 A 22 22 VAL CB C 22 32.276 33.971 -1.695 1 1 211 . 13 1 1 A 22 22 VAL C C 22 176.066 175.130 0.936 1 1 212 . 13 1 1 A 23 23 ILE N N 23 128.645 130.642 -1.997 1 1 213 . 13 1 1 A 23 23 ILE H H 23 8.998 8.449 0.549 1 1 214 . 13 1 1 A 23 23 ILE CA C 23 57.193 60.623 -3.430 1 1 215 . 13 1 1 A 23 23 ILE HA H 23 4.489 4.119 0.370 1 1 216 . 13 1 1 A 23 23 ILE CB C 23 38.455 37.725 0.730 1 1 228 . 13 1 1 A 23 23 ILE C C 23 175.434 176.540 -1.106 1 1 230 . 13 1 1 A 24 24 PRO CA C 24 63.319 65.534 -2.215 1 1 231 . 13 1 1 A 24 24 PRO HA H 24 4.600 4.374 0.226 1 1 232 . 13 1 1 A 24 24 PRO CB C 24 30.324 31.960 -1.636 1 1 238 . 13 1 1 A 24 24 PRO C C 24 174.946 176.710 -1.764 1 1 242 . 13 1 1 A 25 25 PHE N N 25 121.530 114.597 6.933 1 1 243 . 13 1 1 A 25 25 PHE H H 25 7.582 8.085 -0.503 1 1 244 . 13 1 1 A 25 25 PHE CA C 25 56.635 56.097 0.538 1 1 245 . 13 1 1 A 25 25 PHE HA H 25 4.552 4.547 0.005 1 1 246 . 13 1 1 A 25 25 PHE CB C 25 40.977 40.396 0.581 1 1 258 . 13 1 1 A 25 25 PHE C C 25 172.831 175.095 -2.264 1 1 260 . 13 1 1 A 26 26 ALA N N 26 124.526 122.566 1.960 1 1 261 . 13 1 1 A 26 26 ALA H H 26 7.993 8.483 -0.490 1 1 262 . 13 1 1 A 26 26 ALA CA C 26 52.074 50.658 1.416 1 1 263 . 13 1 1 A 26 26 ALA HA H 26 4.221 4.690 -0.469 1 1 264 . 13 1 1 A 26 26 ALA CB C 26 18.862 20.900 -2.038 1 1 268 . 13 1 1 A 26 26 ALA C C 26 176.973 176.001 0.972 1 1 269 . 13 1 1 A 27 27 VAL N N 27 118.422 118.001 0.421 1 1 270 . 13 1 1 A 27 27 VAL H H 27 8.046 8.372 -0.326 1 1 271 . 13 1 1 A 27 27 VAL CA C 27 61.375 59.751 1.624 1 1 272 . 13 1 1 A 27 27 VAL HA H 27 4.248 4.339 -0.091 1 1 273 . 13 1 1 A 27 27 VAL CB C 27 34.179 34.497 -0.318 1 1 283 . 13 1 1 A 27 27 VAL C C 27 175.445 174.141 1.304 1 1 284 . 13 1 1 A 28 28 ARG N N 28 122.785 125.626 -2.841 1 1 285 . 13 1 1 A 28 28 ARG H H 28 8.275 8.347 -0.072 1 1 286 . 13 1 1 A 28 28 ARG CA C 28 55.407 55.135 0.272 1 1 287 . 13 1 1 A 28 28 ARG HA H 28 4.473 4.667 -0.194 1 1 288 . 13 1 1 A 28 28 ARG CB C 28 31.087 31.324 -0.237 1 1 294 . 13 1 1 A 28 28 ARG C C 28 176.528 175.423 1.105 1 1 298 . 13 1 1 A 29 29 LYS N N 29 121.704 126.602 -4.898 1 1 299 . 13 1 1 A 29 29 LYS H H 29 8.484 8.511 -0.027 1 1 300 . 13 1 1 A 29 29 LYS CA C 29 57.888 56.373 1.515 1 1 301 . 13 1 1 A 29 29 LYS HA H 29 4.170 4.349 -0.179 1 1 302 . 13 1 1 A 29 29 LYS CB C 29 32.564 31.791 0.773 1 1 310 . 13 1 1 A 29 29 LYS C C 29 177.124 176.542 0.582 1 1 315 . 13 1 1 A 30 30 GLY N N 30 109.946 113.161 -3.215 1 1 316 . 13 1 1 A 30 30 GLY H H 30 8.546 8.399 0.147 1 1 317 . 13 1 1 A 30 30 GLY CA C 30 45.408 45.973 -0.565 1 1 318 . 13 1 1 A 30 30 GLY HA3 H 30 4.060 4.063 -0.003 1 1 319 . 13 1 1 A 30 30 GLY C C 30 173.961 173.540 0.421 1 1 320 . 13 1 1 A 30 30 GLY HA2 H 30 3.981 4.051 -0.070 1 1 321 . 13 1 1 A 31 31 GLU N N 31 118.290 119.352 -1.062 1 1 322 . 13 1 1 A 31 31 GLU H H 31 8.088 8.445 -0.357 1 1 323 . 13 1 1 A 31 31 GLU CA C 31 56.979 55.640 1.339 1 1 324 . 13 1 1 A 31 31 GLU HA H 31 4.418 4.575 -0.157 1 1 325 . 13 1 1 A 31 31 GLU CB C 31 31.108 30.212 0.896 1 1 329 . 13 1 1 A 31 31 GLU C C 31 176.184 174.993 1.191 1 1 332 . 13 1 1 A 32 32 ILE N N 32 121.780 124.441 -2.661 1 1 333 . 13 1 1 A 32 32 ILE H H 32 8.155 8.274 -0.119 1 1 334 . 13 1 1 A 32 32 ILE CA C 32 58.252 60.064 -1.812 1 1 335 . 13 1 1 A 32 32 ILE HA H 32 5.409 4.875 0.534 1 1 336 . 13 1 1 A 32 32 ILE CB C 32 39.008 41.683 -2.675 1 1 348 . 13 1 1 A 32 32 ILE C C 32 175.262 173.535 1.727 1 1 350 . 13 1 1 A 33 33 THR N N 33 117.063 116.146 0.917 1 1 351 . 13 1 1 A 33 33 THR H H 33 8.906 8.223 0.683 1 1 352 . 13 1 1 A 33 33 THR CA C 33 59.591 59.882 -0.291 1 1 353 . 13 1 1 A 33 33 THR HA H 33 4.707 5.313 -0.606 1 1 354 . 13 1 1 A 33 33 THR CB C 33 72.003 72.468 -0.465 1 1 360 . 13 1 1 A 33 33 THR C C 33 173.146 172.999 0.147 1 1 361 . 13 1 1 A 34 34 GLY N N 34 106.583 108.285 -1.702 1 1 362 . 13 1 1 A 34 34 GLY H H 34 8.603 8.501 0.102 1 1 363 . 13 1 1 A 34 34 GLY CA C 34 45.032 45.102 -0.070 1 1 364 . 13 1 1 A 34 34 GLY HA3 H 34 3.424 4.503 -1.079 1 1 365 . 13 1 1 A 34 34 GLY C C 34 172.260 172.195 0.065 1 1 366 . 13 1 1 A 34 34 GLY HA2 H 34 5.351 4.497 0.854 1 1 367 . 13 1 1 A 35 35 GLU N N 35 118.818 120.947 -2.129 1 1 368 . 13 1 1 A 35 35 GLU H H 35 8.756 8.717 0.039 1 1 369 . 13 1 1 A 35 35 GLU CA C 35 56.375 55.073 1.302 1 1 370 . 13 1 1 A 35 35 GLU HA H 35 4.739 5.079 -0.340 1 1 371 . 13 1 1 A 35 35 GLU CB C 35 34.673 33.681 0.992 1 1 375 . 13 1 1 A 35 35 GLU C C 35 173.645 174.536 -0.891 1 1 378 . 13 1 1 A 36 36 VAL N N 36 124.835 124.909 -0.074 1 1 379 . 13 1 1 A 36 36 VAL H H 36 9.291 8.574 0.717 1 1 380 . 13 1 1 A 36 36 VAL CA C 36 60.780 61.155 -0.375 1 1 381 . 13 1 1 A 36 36 VAL HA H 36 4.751 4.809 -0.058 1 1 382 . 13 1 1 A 36 36 VAL CB C 36 33.990 34.167 -0.177 1 1 392 . 13 1 1 A 36 36 VAL C C 36 174.137 174.681 -0.544 1 1 393 . 13 1 1 A 37 37 HIS N N 37 126.324 126.500 -0.176 1 1 394 . 13 1 1 A 37 37 HIS H H 37 9.294 9.235 0.059 1 1 395 . 13 1 1 A 37 37 HIS CA C 37 54.625 54.861 -0.236 1 1 396 . 13 1 1 A 37 37 HIS HA H 37 4.751 4.882 -0.131 1 1 397 . 13 1 1 A 37 37 HIS CB C 37 30.676 29.230 1.446 1 1 403 . 13 1 1 A 37 37 HIS C C 37 174.317 174.794 -0.477 1 1 405 . 13 1 1 A 38 38 MET N N 38 122.552 124.507 -1.955 1 1 406 . 13 1 1 A 38 38 MET H H 38 8.303 8.552 -0.249 1 1 407 . 13 1 1 A 38 38 MET CA C 38 54.086 55.157 -1.071 1 1 408 . 13 1 1 A 38 38 MET HA H 38 4.089 4.292 -0.203 1 1 409 . 13 1 1 A 38 38 MET CB C 38 32.900 32.166 0.734 1 1 417 . 13 1 1 A 38 38 MET C C 38 174.851 176.011 -1.160 1 1 420 . 13 1 1 A 39 39 PRO CA C 39 65.874 64.412 1.462 1 1 421 . 13 1 1 A 39 39 PRO HA H 39 4.156 4.267 -0.111 1 1 422 . 13 1 1 A 39 39 PRO CB C 39 31.312 31.849 -0.537 1 1 428 . 13 1 1 A 39 39 PRO C C 39 178.047 177.896 0.151 1 1 432 . 13 1 1 A 40 40 SER N N 40 111.214 112.048 -0.834 1 1 433 . 13 1 1 A 40 40 SER H H 40 8.759 7.705 1.054 1 1 434 . 13 1 1 A 40 40 SER CA C 40 59.667 58.314 1.353 1 1 435 . 13 1 1 A 40 40 SER HA H 40 4.089 4.494 -0.405 1 1 436 . 13 1 1 A 40 40 SER CB C 40 62.726 63.577 -0.851 1 1 438 . 13 1 1 A 40 40 SER C C 40 176.300 174.571 1.729 1 1 440 . 13 1 1 A 41 41 GLY N N 41 111.180 109.159 2.021 1 1 441 . 13 1 1 A 41 41 GLY H H 41 8.293 7.964 0.329 1 1 442 . 13 1 1 A 41 41 GLY CA C 41 44.624 45.054 -0.430 1 1 443 . 13 1 1 A 41 41 GLY HA3 H 41 3.620 3.987 -0.367 1 1 444 . 13 1 1 A 41 41 GLY C C 41 174.516 174.663 -0.147 1 1 445 . 13 1 1 A 41 41 GLY HA2 H 41 4.447 3.985 0.462 1 1 446 . 13 1 1 A 42 42 LYS N N 42 120.452 120.256 0.196 1 1 447 . 13 1 1 A 42 42 LYS H H 42 7.038 7.845 -0.807 1 1 448 . 13 1 1 A 42 42 LYS CA C 42 56.944 56.246 0.698 1 1 449 . 13 1 1 A 42 42 LYS HA H 42 4.286 4.428 -0.142 1 1 450 . 13 1 1 A 42 42 LYS CB C 42 33.719 34.568 -0.849 1 1 457 . 13 1 1 A 42 42 LYS C C 42 175.050 175.363 -0.313 1 1 462 . 13 1 1 A 43 43 THR N N 43 111.705 111.045 0.660 1 1 463 . 13 1 1 A 43 43 THR H H 43 8.110 8.636 -0.526 1 1 464 . 13 1 1 A 43 43 THR CA C 43 59.653 60.382 -0.729 1 1 465 . 13 1 1 A 43 43 THR HA H 43 5.450 5.573 -0.123 1 1 466 . 13 1 1 A 43 43 THR CB C 43 71.842 72.344 -0.502 1 1 472 . 13 1 1 A 43 43 THR C C 43 174.054 172.850 1.204 1 1 473 . 13 1 1 A 44 44 ALA N N 44 123.338 121.964 1.374 1 1 474 . 13 1 1 A 44 44 ALA H H 44 8.683 8.132 0.551 1 1 475 . 13 1 1 A 44 44 ALA CA C 44 50.752 51.618 -0.866 1 1 476 . 13 1 1 A 44 44 ALA HA H 44 4.798 4.829 -0.031 1 1 477 . 13 1 1 A 44 44 ALA CB C 44 24.091 23.095 0.996 1 1 481 . 13 1 1 A 44 44 ALA C C 44 175.947 175.862 0.085 1 1 482 . 13 1 1 A 45 45 THR N N 45 117.733 110.303 7.430 1 1 483 . 13 1 1 A 45 45 THR H H 45 8.934 8.543 0.391 1 1 484 . 13 1 1 A 45 45 THR CA C 45 59.517 58.801 0.716 1 1 485 . 13 1 1 A 45 45 THR HA H 45 4.894 4.892 0.002 1 1 486 . 13 1 1 A 45 45 THR CB C 45 70.403 69.940 0.463 1 1 492 . 13 1 1 A 45 45 THR C C 45 173.394 173.467 -0.073 1 1 493 . 13 1 1 A 46 46 PRO CA C 46 62.017 62.326 -0.309 1 1 494 . 13 1 1 A 46 46 PRO HA H 46 4.978 4.744 0.234 1 1 495 . 13 1 1 A 46 46 PRO CB C 46 32.885 32.947 -0.062 1 1 501 . 13 1 1 A 46 46 PRO C C 46 173.937 175.800 -1.863 1 1 505 . 13 1 1 A 47 47 GLU N N 47 120.450 120.560 -0.110 1 1 506 . 13 1 1 A 47 47 GLU H H 47 8.894 9.087 -0.193 1 1 507 . 13 1 1 A 47 47 GLU CA C 47 56.040 55.388 0.652 1 1 508 . 13 1 1 A 47 47 GLU HA H 47 4.409 4.647 -0.238 1 1 509 . 13 1 1 A 47 47 GLU CB C 47 31.436 30.967 0.469 1 1 513 . 13 1 1 A 47 47 GLU C C 47 175.160 175.228 -0.068 1 1 516 . 13 1 1 A 48 48 ILE N N 48 124.818 128.553 -3.735 1 1 517 . 13 1 1 A 48 48 ILE H H 48 8.467 9.049 -0.582 1 1 518 . 13 1 1 A 48 48 ILE CA C 48 60.408 59.877 0.531 1 1 519 . 13 1 1 A 48 48 ILE HA H 48 4.727 4.720 0.007 1 1 520 . 13 1 1 A 48 48 ILE CB C 48 38.177 38.016 0.161 1 1 532 . 13 1 1 A 48 48 ILE C C 48 175.681 175.141 0.540 1 1 534 . 13 1 1 A 49 49 VAL N N 49 129.411 127.903 1.508 1 1 535 . 13 1 1 A 49 49 VAL H H 49 9.417 8.706 0.711 1 1 536 . 13 1 1 A 49 49 VAL CA C 49 61.259 60.690 0.569 1 1 537 . 13 1 1 A 49 49 VAL HA H 49 4.188 4.636 -0.448 1 1 538 . 13 1 1 A 49 49 VAL CB C 49 34.719 35.076 -0.357 1 1 548 . 13 1 1 A 49 49 VAL C C 49 174.654 173.551 1.103 1 1 549 . 13 1 1 A 50 50 ASP N N 50 125.078 127.305 -2.227 1 1 550 . 13 1 1 A 50 50 ASP H H 50 8.664 8.867 -0.203 1 1 551 . 13 1 1 A 50 50 ASP CA C 50 53.899 52.480 1.419 1 1 552 . 13 1 1 A 50 50 ASP HA H 50 4.683 5.167 -0.484 1 1 553 . 13 1 1 A 50 50 ASP CB C 50 41.270 42.416 -1.146 1 1 555 . 13 1 1 A 50 50 ASP C C 50 176.440 175.682 0.758 1 1 557 . 13 1 1 A 51 51 ASN N N 51 123.926 125.936 -2.010 1 1 558 . 13 1 1 A 51 51 ASN H H 51 8.212 8.808 -0.596 1 1 559 . 13 1 1 A 51 51 ASN CA C 51 53.917 53.784 0.133 1 1 560 . 13 1 1 A 51 51 ASN HA H 51 4.703 4.620 0.083 1 1 561 . 13 1 1 A 51 51 ASN CB C 51 38.667 39.544 -0.877 1 1 566 . 13 1 1 A 51 51 ASN C C 51 176.260 175.705 0.555 1 1 568 . 13 1 1 A 52 52 LYS N N 52 115.640 123.416 -7.776 1 1 569 . 13 1 1 A 52 52 LYS H H 52 9.145 8.611 0.534 1 1 570 . 13 1 1 A 52 52 LYS CA C 52 58.127 56.157 1.970 1 1 571 . 13 1 1 A 52 52 LYS HA H 52 4.040 4.378 -0.338 1 1 572 . 13 1 1 A 52 52 LYS CB C 52 29.405 32.654 -3.249 1 1 580 . 13 1 1 A 52 52 LYS C C 52 175.471 177.313 -1.842 1 1 585 . 13 1 1 A 53 53 ASP N N 53 117.607 119.498 -1.891 1 1 586 . 13 1 1 A 53 53 ASP H H 53 7.824 7.917 -0.093 1 1 587 . 13 1 1 A 53 53 ASP CA C 53 52.598 54.980 -2.382 1 1 588 . 13 1 1 A 53 53 ASP HA H 53 4.690 4.779 -0.089 1 1 589 . 13 1 1 A 53 53 ASP CB C 53 40.929 43.129 -2.200 1 1 591 . 13 1 1 A 53 53 ASP C C 53 177.173 176.034 1.139 1 1 593 . 13 1 1 A 54 54 GLY N N 54 108.692 106.168 2.524 1 1 594 . 13 1 1 A 54 54 GLY H H 54 8.548 7.716 0.832 1 1 595 . 13 1 1 A 54 54 GLY CA C 54 45.161 44.993 0.168 1 1 596 . 13 1 1 A 54 54 GLY HA3 H 54 3.653 4.029 -0.376 1 1 597 . 13 1 1 A 54 54 GLY C C 54 173.737 173.591 0.146 1 1 598 . 13 1 1 A 54 54 GLY HA2 H 54 4.372 4.027 0.345 1 1 599 . 13 1 1 A 55 55 THR N N 55 110.165 110.020 0.145 1 1 600 . 13 1 1 A 55 55 THR H H 55 7.929 7.584 0.345 1 1 601 . 13 1 1 A 55 55 THR CA C 55 60.412 59.926 0.486 1 1 602 . 13 1 1 A 55 55 THR HA H 55 5.100 4.958 0.142 1 1 603 . 13 1 1 A 55 55 THR CB C 55 73.027 72.863 0.164 1 1 609 . 13 1 1 A 55 55 THR C C 55 174.206 172.476 1.730 1 1 610 . 13 1 1 A 56 56 VAL N N 56 115.822 120.031 -4.209 1 1 611 . 13 1 1 A 56 56 VAL H H 56 8.581 8.450 0.131 1 1 612 . 13 1 1 A 56 56 VAL CA C 56 59.608 60.060 -0.452 1 1 613 . 13 1 1 A 56 56 VAL HA H 56 5.132 5.190 -0.058 1 1 614 . 13 1 1 A 56 56 VAL CB C 56 35.607 35.304 0.303 1 1 624 . 13 1 1 A 56 56 VAL C C 56 174.437 174.959 -0.522 1 1 625 . 13 1 1 A 57 57 THR N N 57 120.574 121.548 -0.974 1 1 626 . 13 1 1 A 57 57 THR H H 57 9.151 9.044 0.107 1 1 627 . 13 1 1 A 57 57 THR CA C 57 61.543 61.578 -0.035 1 1 628 . 13 1 1 A 57 57 THR HA H 57 5.021 5.020 0.001 1 1 629 . 13 1 1 A 57 57 THR CB C 57 71.080 71.030 0.050 1 1 635 . 13 1 1 A 57 57 THR C C 57 173.190 173.107 0.083 1 1 636 . 13 1 1 A 58 58 VAL N N 58 127.832 128.316 -0.484 1 1 637 . 13 1 1 A 58 58 VAL H H 58 9.296 8.978 0.318 1 1 638 . 13 1 1 A 58 58 VAL CA C 58 61.204 61.820 -0.616 1 1 639 . 13 1 1 A 58 58 VAL HA H 58 4.774 4.947 -0.173 1 1 640 . 13 1 1 A 58 58 VAL CB C 58 32.626 31.723 0.903 1 1 650 . 13 1 1 A 58 58 VAL C C 58 173.991 174.878 -0.887 1 1 651 . 13 1 1 A 59 59 ARG N N 59 126.761 129.717 -2.956 1 1 652 . 13 1 1 A 59 59 ARG H H 59 9.190 9.148 0.042 1 1 653 . 13 1 1 A 59 59 ARG CA C 59 54.384 54.276 0.108 1 1 654 . 13 1 1 A 59 59 ARG HA H 59 5.488 5.520 -0.032 1 1 655 . 13 1 1 A 59 59 ARG CB C 59 34.262 33.883 0.379 1 1 661 . 13 1 1 A 59 59 ARG C C 59 174.849 174.156 0.693 1 1 665 . 13 1 1 A 60 60 TYR N N 60 123.838 126.588 -2.750 1 1 666 . 13 1 1 A 60 60 TYR H H 60 9.164 8.728 0.436 1 1 667 . 13 1 1 A 60 60 TYR CA C 60 56.684 58.220 -1.536 1 1 668 . 13 1 1 A 60 60 TYR HA H 60 5.024 4.840 0.184 1 1 669 . 13 1 1 A 60 60 TYR CB C 60 42.761 41.066 1.695 1 1 675 . 13 1 1 A 60 60 TYR C C 60 171.861 173.977 -2.116 1 1 677 . 13 1 1 A 61 61 ALA N N 61 134.382 131.084 3.298 1 1 678 . 13 1 1 A 61 61 ALA H H 61 8.023 8.650 -0.627 1 1 679 . 13 1 1 A 61 61 ALA CA C 61 47.869 50.055 -2.186 1 1 680 . 13 1 1 A 61 61 ALA HA H 61 4.670 4.278 0.392 1 1 681 . 13 1 1 A 61 61 ALA CB C 61 18.685 19.138 -0.453 1 1 685 . 13 1 1 A 61 61 ALA C C 61 172.714 175.780 -3.066 1 1 686 . 13 1 1 A 62 62 PRO CA C 62 62.455 62.352 0.103 1 1 687 . 13 1 1 A 62 62 PRO HA H 62 4.137 4.134 0.003 1 1 688 . 13 1 1 A 62 62 PRO CB C 62 33.972 31.716 2.256 1 1 694 . 13 1 1 A 62 62 PRO C C 62 175.567 176.767 -1.200 1 1 698 . 13 1 1 A 63 63 THR N N 63 106.145 113.686 -7.541 1 1 699 . 13 1 1 A 63 63 THR H H 63 8.819 8.544 0.275 1 1 700 . 13 1 1 A 63 63 THR CA C 63 60.795 62.303 -1.508 1 1 701 . 13 1 1 A 63 63 THR HA H 63 4.278 4.354 -0.076 1 1 702 . 13 1 1 A 63 63 THR CB C 63 70.379 69.602 0.777 1 1 708 . 13 1 1 A 63 63 THR C C 63 173.771 173.750 0.021 1 1 709 . 13 1 1 A 64 64 GLU N N 64 119.851 118.850 1.001 1 1 710 . 13 1 1 A 64 64 GLU H H 64 7.217 7.353 -0.136 1 1 711 . 13 1 1 A 64 64 GLU CA C 64 54.483 54.497 -0.014 1 1 712 . 13 1 1 A 64 64 GLU HA H 64 4.560 4.606 -0.046 1 1 713 . 13 1 1 A 64 64 GLU CB C 64 33.675 33.641 0.034 1 1 717 . 13 1 1 A 64 64 GLU C C 64 173.177 175.101 -1.924 1 1 720 . 13 1 1 A 65 65 VAL N N 65 114.914 119.305 -4.391 1 1 721 . 13 1 1 A 65 65 VAL H H 65 7.740 8.425 -0.685 1 1 722 . 13 1 1 A 65 65 VAL CA C 65 61.412 61.560 -0.148 1 1 723 . 13 1 1 A 65 65 VAL HA H 65 3.730 4.285 -0.555 1 1 724 . 13 1 1 A 65 65 VAL CB C 65 33.477 33.436 0.041 1 1 734 . 13 1 1 A 65 65 VAL C C 65 176.588 175.015 1.573 1 1 735 . 13 1 1 A 66 66 GLY N N 66 108.948 108.784 0.164 1 1 736 . 13 1 1 A 66 66 GLY H H 66 8.821 8.110 0.711 1 1 737 . 13 1 1 A 66 66 GLY CA C 66 43.304 43.724 -0.420 1 1 738 . 13 1 1 A 66 66 GLY HA3 H 66 4.468 4.097 0.371 1 1 739 . 13 1 1 A 66 66 GLY C C 66 175.811 172.152 3.659 1 1 740 . 13 1 1 A 66 66 GLY HA2 H 66 3.184 4.034 -0.850 1 1 741 . 13 1 1 A 67 67 LEU N N 67 126.594 122.002 4.592 1 1 742 . 13 1 1 A 67 67 LEU H H 67 9.023 8.374 0.649 1 1 743 . 13 1 1 A 67 67 LEU CA C 67 56.432 53.527 2.905 1 1 744 . 13 1 1 A 67 67 LEU HA H 67 4.137 5.031 -0.894 1 1 745 . 13 1 1 A 67 67 LEU CB C 67 41.933 44.711 -2.778 1 1 757 . 13 1 1 A 67 67 LEU C C 67 174.817 174.468 0.349 1 1 759 . 13 1 1 A 68 68 HIS N N 68 127.130 125.001 2.129 1 1 760 . 13 1 1 A 68 68 HIS H H 68 9.165 8.818 0.347 1 1 761 . 13 1 1 A 68 68 HIS CA C 68 54.518 54.105 0.413 1 1 762 . 13 1 1 A 68 68 HIS HA H 68 4.562 5.305 -0.743 1 1 763 . 13 1 1 A 68 68 HIS CB C 68 32.159 32.347 -0.188 1 1 769 . 13 1 1 A 68 68 HIS C C 68 173.717 173.248 0.469 1 1 771 . 13 1 1 A 69 69 GLU N N 69 116.428 123.789 -7.361 1 1 772 . 13 1 1 A 69 69 GLU H H 69 8.096 8.794 -0.698 1 1 773 . 13 1 1 A 69 69 GLU CA C 69 54.625 54.829 -0.204 1 1 774 . 13 1 1 A 69 69 GLU HA H 69 5.274 5.217 0.057 1 1 775 . 13 1 1 A 69 69 GLU CB C 69 34.361 32.307 2.054 1 1 779 . 13 1 1 A 69 69 GLU C C 69 174.811 175.148 -0.337 1 1 782 . 13 1 1 A 70 70 MET N N 70 126.104 127.829 -1.725 1 1 783 . 13 1 1 A 70 70 MET H H 70 9.874 9.343 0.531 1 1 784 . 13 1 1 A 70 70 MET CA C 70 54.399 54.826 -0.427 1 1 785 . 13 1 1 A 70 70 MET HA H 70 5.272 5.226 0.046 1 1 786 . 13 1 1 A 70 70 MET CB C 70 36.158 34.269 1.889 1 1 794 . 13 1 1 A 70 70 MET C C 70 173.699 175.272 -1.573 1 1 797 . 13 1 1 A 71 71 HIS N N 71 129.007 123.136 5.871 1 1 798 . 13 1 1 A 71 71 HIS H H 71 9.533 9.594 -0.061 1 1 799 . 13 1 1 A 71 71 HIS CA C 71 54.201 54.444 -0.243 1 1 800 . 13 1 1 A 71 71 HIS HA H 71 5.273 5.212 0.061 1 1 801 . 13 1 1 A 71 71 HIS CB C 71 33.546 31.767 1.779 1 1 807 . 13 1 1 A 71 71 HIS C C 71 174.997 173.881 1.116 1 1 809 . 13 1 1 A 72 72 ILE N N 72 126.123 124.782 1.341 1 1 810 . 13 1 1 A 72 72 ILE H H 72 9.842 9.070 0.772 1 1 811 . 13 1 1 A 72 72 ILE CA C 72 60.037 60.114 -0.077 1 1 812 . 13 1 1 A 72 72 ILE HA H 72 4.885 4.911 -0.026 1 1 813 . 13 1 1 A 72 72 ILE CB C 72 40.102 40.391 -0.289 1 1 825 . 13 1 1 A 72 72 ILE C C 72 173.955 175.472 -1.517 1 1 827 . 13 1 1 A 73 73 LYS N N 73 124.414 126.160 -1.746 1 1 828 . 13 1 1 A 73 73 LYS H H 73 8.854 8.663 0.191 1 1 829 . 13 1 1 A 73 73 LYS CA C 73 54.200 54.841 -0.641 1 1 830 . 13 1 1 A 73 73 LYS HA H 73 4.964 5.181 -0.217 1 1 831 . 13 1 1 A 73 73 LYS CB C 73 36.335 35.281 1.054 1 1 839 . 13 1 1 A 73 73 LYS C C 73 174.360 174.344 0.016 1 1 844 . 13 1 1 A 74 74 TYR N N 74 121.190 126.604 -5.414 1 1 845 . 13 1 1 A 74 74 TYR H H 74 8.979 9.235 -0.256 1 1 846 . 13 1 1 A 74 74 TYR CA C 74 55.271 57.349 -2.078 1 1 847 . 13 1 1 A 74 74 TYR HA H 74 5.365 4.867 0.498 1 1 848 . 13 1 1 A 74 74 TYR CB C 74 41.143 39.893 1.250 1 1 858 . 13 1 1 A 74 74 TYR C C 74 175.646 175.071 0.575 1 1 860 . 13 1 1 A 75 75 MET N N 75 125.219 127.122 -1.903 1 1 861 . 13 1 1 A 75 75 MET H H 75 9.096 8.980 0.116 1 1 862 . 13 1 1 A 75 75 MET CA C 75 56.166 56.601 -0.435 1 1 863 . 13 1 1 A 75 75 MET HA H 75 3.920 4.061 -0.141 1 1 864 . 13 1 1 A 75 75 MET CB C 75 29.423 31.198 -1.775 1 1 872 . 13 1 1 A 75 75 MET C C 75 176.809 176.245 0.564 1 1 875 . 13 1 1 A 76 76 GLY N N 76 102.874 104.726 -1.852 1 1 876 . 13 1 1 A 76 76 GLY H H 76 8.573 8.597 -0.024 1 1 877 . 13 1 1 A 76 76 GLY CA C 76 45.421 45.619 -0.198 1 1 878 . 13 1 1 A 76 76 GLY HA3 H 76 4.221 3.789 0.432 1 1 879 . 13 1 1 A 76 76 GLY C C 76 174.014 173.563 0.451 1 1 880 . 13 1 1 A 76 76 GLY HA2 H 76 3.471 3.787 -0.316 1 1 881 . 13 1 1 A 77 77 SER N N 77 115.868 112.610 3.258 1 1 882 . 13 1 1 A 77 77 SER H H 77 7.609 7.646 -0.037 1 1 883 . 13 1 1 A 77 77 SER CA C 77 56.956 56.096 0.860 1 1 884 . 13 1 1 A 77 77 SER HA H 77 4.935 5.014 -0.079 1 1 885 . 13 1 1 A 77 77 SER CB C 77 65.336 65.548 -0.212 1 1 887 . 13 1 1 A 77 77 SER C C 77 173.677 173.102 0.575 1 1 889 . 13 1 1 A 78 78 HIS N N 78 124.606 123.240 1.366 1 1 890 . 13 1 1 A 78 78 HIS H H 78 8.751 9.021 -0.270 1 1 891 . 13 1 1 A 78 78 HIS CA C 78 59.005 56.438 2.567 1 1 892 . 13 1 1 A 78 78 HIS HA H 78 4.617 4.816 -0.199 1 1 893 . 13 1 1 A 78 78 HIS CB C 78 32.066 30.552 1.514 1 1 899 . 13 1 1 A 78 78 HIS C C 78 178.429 175.799 2.630 1 1 901 . 13 1 1 A 79 79 ILE N N 79 117.547 119.995 -2.448 1 1 902 . 13 1 1 A 79 79 ILE H H 79 8.102 8.834 -0.732 1 1 903 . 13 1 1 A 79 79 ILE CA C 79 61.442 59.013 2.429 1 1 904 . 13 1 1 A 79 79 ILE HA H 79 4.737 4.514 0.223 1 1 905 . 13 1 1 A 79 79 ILE CB C 79 35.644 38.065 -2.421 1 1 917 . 13 1 1 A 79 79 ILE C C 79 174.657 176.027 -1.370 1 1 919 . 13 1 1 A 80 80 PRO CA C 80 66.398 64.306 2.092 1 1 920 . 13 1 1 A 80 80 PRO HA H 80 4.296 4.517 -0.221 1 1 921 . 13 1 1 A 80 80 PRO CB C 80 31.380 31.586 -0.206 1 1 927 . 13 1 1 A 80 80 PRO C C 80 177.763 177.187 0.576 1 1 931 . 13 1 1 A 81 81 GLU N N 81 114.279 117.343 -3.064 1 1 932 . 13 1 1 A 81 81 GLU H H 81 8.913 8.301 0.612 1 1 933 . 13 1 1 A 81 81 GLU CA C 81 58.285 56.776 1.509 1 1 934 . 13 1 1 A 81 81 GLU HA H 81 4.043 4.511 -0.468 1 1 935 . 13 1 1 A 81 81 GLU CB C 81 29.010 30.731 -1.721 1 1 939 . 13 1 1 A 81 81 GLU C C 81 174.743 176.071 -1.328 1 1 942 . 13 1 1 A 82 82 SER N N 82 112.700 115.733 -3.033 1 1 943 . 13 1 1 A 82 82 SER H H 82 7.918 7.586 0.332 1 1 944 . 13 1 1 A 82 82 SER CA C 82 54.519 55.944 -1.425 1 1 945 . 13 1 1 A 82 82 SER HA H 82 4.798 4.894 -0.096 1 1 946 . 13 1 1 A 82 82 SER CB C 82 64.077 65.888 -1.811 1 1 948 . 13 1 1 A 82 82 SER C C 82 173.394 171.603 1.791 1 1 950 . 13 1 1 A 83 83 PRO CA C 83 62.597 62.722 -0.125 1 1 951 . 13 1 1 A 83 83 PRO HA H 83 5.247 4.755 0.492 1 1 952 . 13 1 1 A 83 83 PRO CB C 83 34.681 32.262 2.419 1 1 958 . 13 1 1 A 83 83 PRO C C 83 175.783 176.393 -0.610 1 1 962 . 13 1 1 A 84 84 LEU N N 84 123.427 117.232 6.195 1 1 963 . 13 1 1 A 84 84 LEU H H 84 9.099 8.133 0.966 1 1 964 . 13 1 1 A 84 84 LEU CA C 84 54.413 52.303 2.110 1 1 965 . 13 1 1 A 84 84 LEU HA H 84 4.893 5.307 -0.414 1 1 966 . 13 1 1 A 84 84 LEU CB C 84 44.452 46.279 -1.827 1 1 978 . 13 1 1 A 84 84 LEU C C 84 176.054 175.295 0.759 1 1 980 . 13 1 1 A 85 85 GLN N N 85 122.438 117.960 4.478 1 1 981 . 13 1 1 A 85 85 GLN H H 85 8.869 8.933 -0.064 1 1 982 . 13 1 1 A 85 85 GLN CA C 85 54.811 54.004 0.807 1 1 983 . 13 1 1 A 85 85 GLN HA H 85 5.359 5.280 0.079 1 1 984 . 13 1 1 A 85 85 GLN CB C 85 30.972 32.421 -1.449 1 1 991 . 13 1 1 A 85 85 GLN C C 85 175.687 174.726 0.961 1 1 994 . 13 1 1 A 86 86 PHE N N 86 118.108 117.456 0.652 1 1 995 . 13 1 1 A 86 86 PHE H H 86 8.483 8.506 -0.023 1 1 996 . 13 1 1 A 86 86 PHE CA C 86 56.104 55.742 0.362 1 1 997 . 13 1 1 A 86 86 PHE HA H 86 4.917 5.513 -0.596 1 1 998 . 13 1 1 A 86 86 PHE CB C 86 40.732 42.243 -1.511 1 1 1010 . 13 1 1 A 86 86 PHE C C 86 171.607 172.263 -0.656 1 1 1012 . 13 1 1 A 87 87 TYR N N 87 124.521 124.402 0.119 1 1 1013 . 13 1 1 A 87 87 TYR H H 87 9.179 9.154 0.025 1 1 1014 . 13 1 1 A 87 87 TYR CA C 87 57.832 57.976 -0.144 1 1 1015 . 13 1 1 A 87 87 TYR HA H 87 4.643 5.049 -0.406 1 1 1016 . 13 1 1 A 87 87 TYR CB C 87 40.731 40.292 0.439 1 1 1026 . 13 1 1 A 87 87 TYR C C 87 175.145 174.123 1.022 1 1 1028 . 13 1 1 A 88 88 VAL N N 88 129.828 127.168 2.660 1 1 1029 . 13 1 1 A 88 88 VAL H H 88 7.865 8.453 -0.588 1 1 1030 . 13 1 1 A 88 88 VAL CA C 88 61.875 61.341 0.534 1 1 1031 . 13 1 1 A 88 88 VAL HA H 88 4.219 4.577 -0.358 1 1 1032 . 13 1 1 A 88 88 VAL CB C 88 32.943 32.665 0.278 1 1 1042 . 13 1 1 A 88 88 VAL C C 88 174.472 174.713 -0.241 1 1 1043 . 13 1 1 A 89 89 ASN N N 89 124.798 126.642 -1.844 1 1 1044 . 13 1 1 A 89 89 ASN H H 89 8.649 8.765 -0.116 1 1 1045 . 13 1 1 A 89 89 ASN CA C 89 52.062 52.350 -0.288 1 1 1046 . 13 1 1 A 89 89 ASN HA H 89 5.024 5.140 -0.116 1 1 1047 . 13 1 1 A 89 89 ASN CB C 89 41.470 40.056 1.414 1 1 1052 . 13 1 1 A 89 89 ASN C C 89 175.232 174.874 0.358 1 1 1054 . 13 1 1 A 90 90 TYR N N 90 119.662 124.134 -4.472 1 1 1055 . 13 1 1 A 90 90 TYR H H 90 8.559 8.897 -0.338 1 1 1056 . 13 1 1 A 90 90 TYR CA C 90 58.020 57.286 0.734 1 1 1057 . 13 1 1 A 90 90 TYR HA H 90 4.485 4.664 -0.179 1 1 1058 . 13 1 1 A 90 90 TYR CB C 90 37.880 39.625 -1.745 1 1 1068 . 13 1 1 A 90 90 TYR C C 90 174.972 174.695 0.277 1 1 1070 . 13 1 1 A 91 91 PRO CA C 91 63.396 62.672 0.724 1 1 1071 . 13 1 1 A 91 91 PRO HA H 91 4.337 4.503 -0.166 1 1 1072 . 13 1 1 A 91 91 PRO CB C 91 32.028 31.748 0.280 1 1 1081 . 13 1 1 A 92 92 ASN N N 92 118.175 121.713 -3.538 1 1 1082 . 13 1 1 A 92 92 ASN H H 92 8.429 8.273 0.156 1 1 1083 . 13 1 1 A 92 92 ASN CA C 92 53.343 54.245 -0.902 1 1 1084 . 13 1 1 A 92 92 ASN HA H 92 4.691 4.690 0.001 1 1 1085 . 13 1 1 A 92 92 ASN CB C 92 39.000 38.749 0.251 1 1 1091 . 13 1 1 A 93 93 SER N N 93 115.984 117.395 -1.411 1 1 1092 . 13 1 1 A 93 93 SER H H 93 8.344 8.764 -0.420 1 1 1093 . 13 1 1 A 93 93 SER CA C 93 58.618 56.794 1.824 1 1 1094 . 13 1 1 A 93 93 SER HA H 93 4.474 5.105 -0.631 1 1 1095 . 13 1 1 A 93 93 SER CB C 93 63.894 66.758 -2.864 1 1 1098 . 13 1 1 A 94 94 GLY N N 94 111.442 115.293 -3.851 1 1 1099 . 13 1 1 A 94 94 GLY H H 94 8.499 8.348 0.151 1 1 1100 . 13 1 1 A 94 94 GLY CA C 94 45.417 44.482 0.935 1 1 1101 . 13 1 1 A 94 94 GLY HA3 H 94 4.016 4.087 -0.071 1 1 1102 . 13 1 1 A 94 94 GLY C C 94 173.391 175.214 -1.823 1 1 1103 . 13 1 1 A 94 94 GLY HA2 H 94 4.016 4.087 -0.071 1 1 1 . 14 1 1 A 2 2 SER CA C 2 58.268 57.468 0.800 1 1 2 . 14 1 1 A 2 2 SER CB C 2 63.729 65.962 -2.233 1 1 3 . 14 1 1 A 2 2 SER C C 2 174.818 171.976 2.842 1 1 4 . 14 1 1 A 3 3 SER CA C 3 58.693 56.526 2.167 1 1 5 . 14 1 1 A 3 3 SER CB C 3 63.906 66.059 -2.153 1 1 6 . 14 1 1 A 3 3 SER C C 3 174.981 173.649 1.332 1 1 7 . 14 1 1 A 5 5 SER C C 5 178.688 173.480 5.208 1 1 8 . 14 1 1 A 6 6 SER CA C 6 58.453 56.350 2.103 1 1 9 . 14 1 1 A 6 6 SER HA H 6 4.502 5.149 -0.647 1 1 10 . 14 1 1 A 6 6 SER CB C 6 63.956 65.442 -1.486 1 1 13 . 14 1 1 A 7 7 GLY N N 7 110.931 114.037 -3.106 1 1 14 . 14 1 1 A 7 7 GLY H H 7 8.436 8.765 -0.329 1 1 15 . 14 1 1 A 7 7 GLY CA C 7 45.357 44.146 1.211 1 1 16 . 14 1 1 A 7 7 GLY HA3 H 7 3.979 4.138 -0.159 1 1 17 . 14 1 1 A 7 7 GLY C C 7 174.128 174.669 -0.541 1 1 18 . 14 1 1 A 7 7 GLY HA2 H 7 3.979 4.138 -0.159 1 1 19 . 14 1 1 A 8 8 VAL N N 8 119.070 119.492 -0.422 1 1 20 . 14 1 1 A 8 8 VAL H H 8 8.006 8.699 -0.693 1 1 21 . 14 1 1 A 8 8 VAL CA C 8 62.332 63.128 -0.796 1 1 22 . 14 1 1 A 8 8 VAL HA H 8 4.180 3.877 0.303 1 1 23 . 14 1 1 A 8 8 VAL CB C 8 32.819 29.642 3.177 1 1 33 . 14 1 1 A 8 8 VAL C C 8 176.359 175.110 1.249 1 1 34 . 14 1 1 A 9 9 SER N N 9 119.223 118.566 0.657 1 1 35 . 14 1 1 A 9 9 SER H H 9 8.418 8.080 0.338 1 1 36 . 14 1 1 A 9 9 SER CA C 9 58.392 58.020 0.372 1 1 37 . 14 1 1 A 9 9 SER HA H 9 4.469 4.635 -0.166 1 1 38 . 14 1 1 A 9 9 SER CB C 9 63.948 62.784 1.164 1 1 40 . 14 1 1 A 9 9 SER C C 9 174.256 173.349 0.907 1 1 42 . 14 1 1 A 10 10 ASP N N 10 122.453 125.805 -3.352 1 1 43 . 14 1 1 A 10 10 ASP H H 10 8.311 9.101 -0.790 1 1 44 . 14 1 1 A 10 10 ASP CA C 10 54.450 52.966 1.484 1 1 45 . 14 1 1 A 10 10 ASP HA H 10 4.592 5.297 -0.705 1 1 46 . 14 1 1 A 10 10 ASP CB C 10 41.174 44.185 -3.011 1 1 48 . 14 1 1 A 10 10 ASP C C 10 176.480 174.879 1.601 1 1 50 . 14 1 1 A 11 11 MET N N 11 120.428 121.936 -1.508 1 1 51 . 14 1 1 A 11 11 MET H H 11 8.340 8.824 -0.484 1 1 52 . 14 1 1 A 11 11 MET CA C 11 55.757 54.056 1.701 1 1 53 . 14 1 1 A 11 11 MET HA H 11 4.418 5.216 -0.798 1 1 54 . 14 1 1 A 11 11 MET CB C 11 32.457 34.794 -2.337 1 1 62 . 14 1 1 A 11 11 MET C C 11 176.391 175.049 1.342 1 1 65 . 14 1 1 A 12 12 ASN N N 12 118.914 121.277 -2.363 1 1 66 . 14 1 1 A 12 12 ASN H H 12 8.416 8.740 -0.324 1 1 67 . 14 1 1 A 12 12 ASN CA C 12 53.687 54.233 -0.546 1 1 68 . 14 1 1 A 12 12 ASN HA H 12 4.660 4.588 0.072 1 1 69 . 14 1 1 A 12 12 ASN CB C 12 38.924 38.981 -0.057 1 1 74 . 14 1 1 A 12 12 ASN C C 12 175.770 176.479 -0.709 1 1 76 . 14 1 1 A 13 13 GLY N N 13 108.888 113.365 -4.477 1 1 77 . 14 1 1 A 13 13 GLY H H 13 8.317 8.880 -0.563 1 1 78 . 14 1 1 A 13 13 GLY CA C 13 45.658 46.501 -0.843 1 1 79 . 14 1 1 A 13 13 GLY HA3 H 13 3.920 3.995 -0.075 1 1 80 . 14 1 1 A 13 13 GLY C C 13 174.275 175.146 -0.871 1 1 81 . 14 1 1 A 13 13 GLY HA2 H 13 3.920 3.990 -0.070 1 1 82 . 14 1 1 A 14 14 LEU N N 14 120.990 119.116 1.874 1 1 83 . 14 1 1 A 14 14 LEU H H 14 8.015 8.022 -0.007 1 1 84 . 14 1 1 A 14 14 LEU CA C 14 55.074 58.164 -3.090 1 1 85 . 14 1 1 A 14 14 LEU HA H 14 4.283 3.927 0.356 1 1 86 . 14 1 1 A 14 14 LEU CB C 14 42.572 41.677 0.895 1 1 98 . 14 1 1 A 14 14 LEU C C 14 177.365 177.184 0.181 1 1 100 . 14 1 1 A 15 15 GLY N N 15 107.853 105.137 2.716 1 1 101 . 14 1 1 A 15 15 GLY H H 15 8.198 7.724 0.474 1 1 102 . 14 1 1 A 15 15 GLY CA C 15 44.968 44.187 0.781 1 1 103 . 14 1 1 A 15 15 GLY HA3 H 15 3.823 3.816 0.007 1 1 104 . 14 1 1 A 15 15 GLY C C 15 173.829 173.234 0.595 1 1 105 . 14 1 1 A 15 15 GLY HA2 H 15 3.783 3.782 0.001 1 1 106 . 14 1 1 A 16 16 PHE N N 16 118.501 120.907 -2.406 1 1 107 . 14 1 1 A 16 16 PHE H H 16 7.868 7.806 0.062 1 1 108 . 14 1 1 A 16 16 PHE CA C 16 57.837 59.085 -1.248 1 1 109 . 14 1 1 A 16 16 PHE HA H 16 4.442 4.258 0.184 1 1 110 . 14 1 1 A 16 16 PHE CB C 16 40.278 39.630 0.648 1 1 122 . 14 1 1 A 16 16 PHE C C 16 176.569 175.749 0.820 1 1 124 . 14 1 1 A 17 17 LYS N N 17 126.087 124.374 1.713 1 1 125 . 14 1 1 A 17 17 LYS H H 17 8.611 8.413 0.198 1 1 126 . 14 1 1 A 17 17 LYS CA C 17 54.271 54.490 -0.219 1 1 127 . 14 1 1 A 17 17 LYS HA H 17 4.573 4.360 0.213 1 1 128 . 14 1 1 A 17 17 LYS CB C 17 32.818 32.986 -0.168 1 1 136 . 14 1 1 A 17 17 LYS C C 17 174.147 175.385 -1.238 1 1 141 . 14 1 1 A 18 18 PRO CA C 18 62.850 62.551 0.299 1 1 142 . 14 1 1 A 18 18 PRO HA H 18 4.647 4.763 -0.116 1 1 143 . 14 1 1 A 18 18 PRO CB C 18 31.990 32.698 -0.708 1 1 149 . 14 1 1 A 18 18 PRO C C 18 176.220 175.615 0.605 1 1 153 . 14 1 1 A 19 19 PHE N N 19 123.581 123.564 0.017 1 1 154 . 14 1 1 A 19 19 PHE H H 19 8.905 8.630 0.275 1 1 155 . 14 1 1 A 19 19 PHE CA C 19 57.402 56.047 1.355 1 1 156 . 14 1 1 A 19 19 PHE HA H 19 4.502 4.957 -0.455 1 1 157 . 14 1 1 A 19 19 PHE CB C 19 41.432 41.215 0.217 1 1 169 . 14 1 1 A 19 19 PHE C C 19 173.078 173.125 -0.047 1 1 171 . 14 1 1 A 20 20 ASP N N 20 126.229 128.161 -1.932 1 1 172 . 14 1 1 A 20 20 ASP H H 20 7.412 8.970 -1.558 1 1 173 . 14 1 1 A 20 20 ASP CA C 20 52.686 52.810 -0.124 1 1 174 . 14 1 1 A 20 20 ASP HA H 20 5.248 4.908 0.340 1 1 175 . 14 1 1 A 20 20 ASP CB C 20 44.081 43.020 1.061 1 1 177 . 14 1 1 A 20 20 ASP C C 20 174.098 174.459 -0.361 1 1 179 . 14 1 1 A 21 21 LEU N N 21 123.421 124.092 -0.671 1 1 180 . 14 1 1 A 21 21 LEU H H 21 8.641 8.123 0.518 1 1 181 . 14 1 1 A 21 21 LEU CA C 21 54.201 53.778 0.423 1 1 182 . 14 1 1 A 21 21 LEU HA H 21 4.367 4.695 -0.328 1 1 183 . 14 1 1 A 21 21 LEU CB C 21 46.118 46.138 -0.020 1 1 195 . 14 1 1 A 21 21 LEU C C 21 174.294 173.822 0.472 1 1 197 . 14 1 1 A 22 22 VAL N N 22 127.339 122.895 4.444 1 1 198 . 14 1 1 A 22 22 VAL H H 22 8.451 9.028 -0.577 1 1 199 . 14 1 1 A 22 22 VAL CA C 22 61.986 59.506 2.480 1 1 200 . 14 1 1 A 22 22 VAL HA H 22 4.572 5.082 -0.510 1 1 201 . 14 1 1 A 22 22 VAL CB C 22 32.276 34.558 -2.282 1 1 211 . 14 1 1 A 22 22 VAL C C 22 176.066 174.646 1.420 1 1 212 . 14 1 1 A 23 23 ILE N N 23 128.645 128.430 0.215 1 1 213 . 14 1 1 A 23 23 ILE H H 23 8.998 8.580 0.418 1 1 214 . 14 1 1 A 23 23 ILE CA C 23 57.193 59.941 -2.748 1 1 215 . 14 1 1 A 23 23 ILE HA H 23 4.489 4.155 0.334 1 1 216 . 14 1 1 A 23 23 ILE CB C 23 38.455 37.830 0.625 1 1 228 . 14 1 1 A 23 23 ILE C C 23 175.434 176.529 -1.095 1 1 230 . 14 1 1 A 24 24 PRO CA C 24 63.319 65.398 -2.079 1 1 231 . 14 1 1 A 24 24 PRO HA H 24 4.600 4.344 0.256 1 1 232 . 14 1 1 A 24 24 PRO CB C 24 30.324 31.911 -1.587 1 1 238 . 14 1 1 A 24 24 PRO C C 24 174.946 176.757 -1.811 1 1 242 . 14 1 1 A 25 25 PHE N N 25 121.530 114.533 6.997 1 1 243 . 14 1 1 A 25 25 PHE H H 25 7.582 7.882 -0.300 1 1 244 . 14 1 1 A 25 25 PHE CA C 25 56.635 56.348 0.287 1 1 245 . 14 1 1 A 25 25 PHE HA H 25 4.552 4.547 0.005 1 1 246 . 14 1 1 A 25 25 PHE CB C 25 40.977 39.827 1.150 1 1 258 . 14 1 1 A 25 25 PHE C C 25 172.831 175.499 -2.668 1 1 260 . 14 1 1 A 26 26 ALA N N 26 124.526 122.843 1.683 1 1 261 . 14 1 1 A 26 26 ALA H H 26 7.993 8.449 -0.456 1 1 262 . 14 1 1 A 26 26 ALA CA C 26 52.074 52.159 -0.085 1 1 263 . 14 1 1 A 26 26 ALA HA H 26 4.221 4.346 -0.125 1 1 264 . 14 1 1 A 26 26 ALA CB C 26 18.862 19.285 -0.423 1 1 268 . 14 1 1 A 26 26 ALA C C 26 176.973 176.859 0.114 1 1 269 . 14 1 1 A 27 27 VAL N N 27 118.422 120.461 -2.039 1 1 270 . 14 1 1 A 27 27 VAL H H 27 8.046 8.229 -0.183 1 1 271 . 14 1 1 A 27 27 VAL CA C 27 61.375 60.239 1.136 1 1 272 . 14 1 1 A 27 27 VAL HA H 27 4.248 4.454 -0.206 1 1 273 . 14 1 1 A 27 27 VAL CB C 27 34.179 33.607 0.572 1 1 283 . 14 1 1 A 27 27 VAL C C 27 175.445 174.092 1.353 1 1 284 . 14 1 1 A 28 28 ARG N N 28 122.785 124.010 -1.225 1 1 285 . 14 1 1 A 28 28 ARG H H 28 8.275 8.750 -0.475 1 1 286 . 14 1 1 A 28 28 ARG CA C 28 55.407 56.858 -1.451 1 1 287 . 14 1 1 A 28 28 ARG HA H 28 4.473 4.630 -0.157 1 1 288 . 14 1 1 A 28 28 ARG CB C 28 31.087 32.538 -1.451 1 1 294 . 14 1 1 A 28 28 ARG C C 28 176.528 176.207 0.321 1 1 298 . 14 1 1 A 29 29 LYS N N 29 121.704 116.065 5.639 1 1 299 . 14 1 1 A 29 29 LYS H H 29 8.484 7.731 0.753 1 1 300 . 14 1 1 A 29 29 LYS CA C 29 57.888 55.851 2.037 1 1 301 . 14 1 1 A 29 29 LYS HA H 29 4.170 4.749 -0.579 1 1 302 . 14 1 1 A 29 29 LYS CB C 29 32.564 35.794 -3.230 1 1 310 . 14 1 1 A 29 29 LYS C C 29 177.124 175.155 1.969 1 1 315 . 14 1 1 A 30 30 GLY N N 30 109.946 110.671 -0.725 1 1 316 . 14 1 1 A 30 30 GLY H H 30 8.546 8.454 0.092 1 1 317 . 14 1 1 A 30 30 GLY CA C 30 45.408 45.859 -0.451 1 1 318 . 14 1 1 A 30 30 GLY HA3 H 30 4.060 4.135 -0.075 1 1 319 . 14 1 1 A 30 30 GLY C C 30 173.961 174.653 -0.692 1 1 320 . 14 1 1 A 30 30 GLY HA2 H 30 3.981 4.105 -0.124 1 1 321 . 14 1 1 A 31 31 GLU N N 31 118.290 125.246 -6.956 1 1 322 . 14 1 1 A 31 31 GLU H H 31 8.088 8.743 -0.655 1 1 323 . 14 1 1 A 31 31 GLU CA C 31 56.979 56.260 0.719 1 1 324 . 14 1 1 A 31 31 GLU HA H 31 4.418 4.493 -0.075 1 1 325 . 14 1 1 A 31 31 GLU CB C 31 31.108 30.039 1.069 1 1 329 . 14 1 1 A 31 31 GLU C C 31 176.184 175.136 1.048 1 1 332 . 14 1 1 A 32 32 ILE N N 32 121.780 122.125 -0.345 1 1 333 . 14 1 1 A 32 32 ILE H H 32 8.155 7.533 0.622 1 1 334 . 14 1 1 A 32 32 ILE CA C 32 58.252 59.131 -0.879 1 1 335 . 14 1 1 A 32 32 ILE HA H 32 5.409 5.321 0.088 1 1 336 . 14 1 1 A 32 32 ILE CB C 32 39.008 41.558 -2.550 1 1 348 . 14 1 1 A 32 32 ILE C C 32 175.262 174.458 0.804 1 1 350 . 14 1 1 A 33 33 THR N N 33 117.063 116.741 0.322 1 1 351 . 14 1 1 A 33 33 THR H H 33 8.906 8.684 0.222 1 1 352 . 14 1 1 A 33 33 THR CA C 33 59.591 60.196 -0.605 1 1 353 . 14 1 1 A 33 33 THR HA H 33 4.707 5.178 -0.471 1 1 354 . 14 1 1 A 33 33 THR CB C 33 72.003 72.239 -0.236 1 1 360 . 14 1 1 A 33 33 THR C C 33 173.146 173.002 0.144 1 1 361 . 14 1 1 A 34 34 GLY N N 34 106.583 108.547 -1.964 1 1 362 . 14 1 1 A 34 34 GLY H H 34 8.603 8.442 0.161 1 1 363 . 14 1 1 A 34 34 GLY CA C 34 45.032 45.637 -0.605 1 1 364 . 14 1 1 A 34 34 GLY HA3 H 34 3.424 4.361 -0.937 1 1 365 . 14 1 1 A 34 34 GLY C C 34 172.260 172.137 0.123 1 1 366 . 14 1 1 A 34 34 GLY HA2 H 34 5.351 4.356 0.995 1 1 367 . 14 1 1 A 35 35 GLU N N 35 118.818 120.100 -1.282 1 1 368 . 14 1 1 A 35 35 GLU H H 35 8.756 8.779 -0.023 1 1 369 . 14 1 1 A 35 35 GLU CA C 35 56.375 55.194 1.181 1 1 370 . 14 1 1 A 35 35 GLU HA H 35 4.739 5.123 -0.384 1 1 371 . 14 1 1 A 35 35 GLU CB C 35 34.673 33.983 0.690 1 1 375 . 14 1 1 A 35 35 GLU C C 35 173.645 174.383 -0.738 1 1 378 . 14 1 1 A 36 36 VAL N N 36 124.835 124.074 0.761 1 1 379 . 14 1 1 A 36 36 VAL H H 36 9.291 8.614 0.677 1 1 380 . 14 1 1 A 36 36 VAL CA C 36 60.780 61.241 -0.461 1 1 381 . 14 1 1 A 36 36 VAL HA H 36 4.751 4.854 -0.103 1 1 382 . 14 1 1 A 36 36 VAL CB C 36 33.990 34.407 -0.417 1 1 392 . 14 1 1 A 36 36 VAL C C 36 174.137 174.692 -0.555 1 1 393 . 14 1 1 A 37 37 HIS N N 37 126.324 126.381 -0.057 1 1 394 . 14 1 1 A 37 37 HIS H H 37 9.294 9.308 -0.014 1 1 395 . 14 1 1 A 37 37 HIS CA C 37 54.625 55.024 -0.399 1 1 396 . 14 1 1 A 37 37 HIS HA H 37 4.751 4.866 -0.115 1 1 397 . 14 1 1 A 37 37 HIS CB C 37 30.676 28.963 1.713 1 1 403 . 14 1 1 A 37 37 HIS C C 37 174.317 174.756 -0.439 1 1 405 . 14 1 1 A 38 38 MET N N 38 122.552 124.449 -1.897 1 1 406 . 14 1 1 A 38 38 MET H H 38 8.303 8.394 -0.091 1 1 407 . 14 1 1 A 38 38 MET CA C 38 54.086 55.161 -1.075 1 1 408 . 14 1 1 A 38 38 MET HA H 38 4.089 4.290 -0.201 1 1 409 . 14 1 1 A 38 38 MET CB C 38 32.900 32.242 0.658 1 1 417 . 14 1 1 A 38 38 MET C C 38 174.851 176.037 -1.186 1 1 420 . 14 1 1 A 39 39 PRO CA C 39 65.874 64.269 1.605 1 1 421 . 14 1 1 A 39 39 PRO HA H 39 4.156 4.312 -0.156 1 1 422 . 14 1 1 A 39 39 PRO CB C 39 31.312 31.827 -0.515 1 1 428 . 14 1 1 A 39 39 PRO C C 39 178.047 178.047 0.000 1 1 432 . 14 1 1 A 40 40 SER N N 40 111.214 111.632 -0.418 1 1 433 . 14 1 1 A 40 40 SER H H 40 8.759 7.775 0.984 1 1 434 . 14 1 1 A 40 40 SER CA C 40 59.667 59.086 0.581 1 1 435 . 14 1 1 A 40 40 SER HA H 40 4.089 4.425 -0.336 1 1 436 . 14 1 1 A 40 40 SER CB C 40 62.726 63.242 -0.516 1 1 438 . 14 1 1 A 40 40 SER C C 40 176.300 174.546 1.754 1 1 440 . 14 1 1 A 41 41 GLY N N 41 111.180 108.727 2.453 1 1 441 . 14 1 1 A 41 41 GLY H H 41 8.293 7.987 0.306 1 1 442 . 14 1 1 A 41 41 GLY CA C 41 44.624 45.057 -0.433 1 1 443 . 14 1 1 A 41 41 GLY HA3 H 41 3.620 4.013 -0.393 1 1 444 . 14 1 1 A 41 41 GLY C C 41 174.516 173.921 0.595 1 1 445 . 14 1 1 A 41 41 GLY HA2 H 41 4.447 4.008 0.439 1 1 446 . 14 1 1 A 42 42 LYS N N 42 120.452 119.458 0.994 1 1 447 . 14 1 1 A 42 42 LYS H H 42 7.038 7.805 -0.767 1 1 448 . 14 1 1 A 42 42 LYS CA C 42 56.944 54.760 2.184 1 1 449 . 14 1 1 A 42 42 LYS HA H 42 4.286 4.720 -0.434 1 1 450 . 14 1 1 A 42 42 LYS CB C 42 33.719 34.826 -1.107 1 1 457 . 14 1 1 A 42 42 LYS C C 42 175.050 175.092 -0.042 1 1 462 . 14 1 1 A 43 43 THR N N 43 111.705 111.574 0.131 1 1 463 . 14 1 1 A 43 43 THR H H 43 8.110 8.687 -0.577 1 1 464 . 14 1 1 A 43 43 THR CA C 43 59.653 60.412 -0.759 1 1 465 . 14 1 1 A 43 43 THR HA H 43 5.450 5.366 0.084 1 1 466 . 14 1 1 A 43 43 THR CB C 43 71.842 72.293 -0.451 1 1 472 . 14 1 1 A 43 43 THR C C 43 174.054 173.247 0.807 1 1 473 . 14 1 1 A 44 44 ALA N N 44 123.338 122.478 0.860 1 1 474 . 14 1 1 A 44 44 ALA H H 44 8.683 8.133 0.550 1 1 475 . 14 1 1 A 44 44 ALA CA C 44 50.752 51.814 -1.062 1 1 476 . 14 1 1 A 44 44 ALA HA H 44 4.798 4.819 -0.021 1 1 477 . 14 1 1 A 44 44 ALA CB C 44 24.091 22.929 1.162 1 1 481 . 14 1 1 A 44 44 ALA C C 44 175.947 176.055 -0.108 1 1 482 . 14 1 1 A 45 45 THR N N 45 117.733 113.407 4.326 1 1 483 . 14 1 1 A 45 45 THR H H 45 8.934 8.515 0.419 1 1 484 . 14 1 1 A 45 45 THR CA C 45 59.517 59.921 -0.404 1 1 485 . 14 1 1 A 45 45 THR HA H 45 4.894 4.772 0.122 1 1 486 . 14 1 1 A 45 45 THR CB C 45 70.403 69.180 1.223 1 1 492 . 14 1 1 A 45 45 THR C C 45 173.394 173.581 -0.187 1 1 493 . 14 1 1 A 46 46 PRO CA C 46 62.017 62.318 -0.301 1 1 494 . 14 1 1 A 46 46 PRO HA H 46 4.978 4.566 0.412 1 1 495 . 14 1 1 A 46 46 PRO CB C 46 32.885 32.320 0.565 1 1 501 . 14 1 1 A 46 46 PRO C C 46 173.937 176.043 -2.106 1 1 505 . 14 1 1 A 47 47 GLU N N 47 120.450 120.889 -0.439 1 1 506 . 14 1 1 A 47 47 GLU H H 47 8.894 9.036 -0.142 1 1 507 . 14 1 1 A 47 47 GLU CA C 47 56.040 55.992 0.048 1 1 508 . 14 1 1 A 47 47 GLU HA H 47 4.409 4.700 -0.291 1 1 509 . 14 1 1 A 47 47 GLU CB C 47 31.436 30.887 0.549 1 1 513 . 14 1 1 A 47 47 GLU C C 47 175.160 175.037 0.123 1 1 516 . 14 1 1 A 48 48 ILE N N 48 124.818 127.179 -2.361 1 1 517 . 14 1 1 A 48 48 ILE H H 48 8.467 8.800 -0.333 1 1 518 . 14 1 1 A 48 48 ILE CA C 48 60.408 60.511 -0.103 1 1 519 . 14 1 1 A 48 48 ILE HA H 48 4.727 4.898 -0.171 1 1 520 . 14 1 1 A 48 48 ILE CB C 48 38.177 40.664 -2.487 1 1 532 . 14 1 1 A 48 48 ILE C C 48 175.681 174.619 1.062 1 1 534 . 14 1 1 A 49 49 VAL N N 49 129.411 127.940 1.471 1 1 535 . 14 1 1 A 49 49 VAL H H 49 9.417 8.919 0.498 1 1 536 . 14 1 1 A 49 49 VAL CA C 49 61.259 60.623 0.636 1 1 537 . 14 1 1 A 49 49 VAL HA H 49 4.188 4.742 -0.554 1 1 538 . 14 1 1 A 49 49 VAL CB C 49 34.719 34.962 -0.243 1 1 548 . 14 1 1 A 49 49 VAL C C 49 174.654 174.006 0.648 1 1 549 . 14 1 1 A 50 50 ASP N N 50 125.078 127.823 -2.745 1 1 550 . 14 1 1 A 50 50 ASP H H 50 8.664 8.881 -0.217 1 1 551 . 14 1 1 A 50 50 ASP CA C 50 53.899 52.700 1.199 1 1 552 . 14 1 1 A 50 50 ASP HA H 50 4.683 5.037 -0.354 1 1 553 . 14 1 1 A 50 50 ASP CB C 50 41.270 41.590 -0.320 1 1 555 . 14 1 1 A 50 50 ASP C C 50 176.440 175.573 0.867 1 1 557 . 14 1 1 A 51 51 ASN N N 51 123.926 125.498 -1.572 1 1 558 . 14 1 1 A 51 51 ASN H H 51 8.212 8.426 -0.214 1 1 559 . 14 1 1 A 51 51 ASN CA C 51 53.917 53.769 0.148 1 1 560 . 14 1 1 A 51 51 ASN HA H 51 4.703 4.613 0.090 1 1 561 . 14 1 1 A 51 51 ASN CB C 51 38.667 39.505 -0.838 1 1 566 . 14 1 1 A 51 51 ASN C C 51 176.260 175.747 0.513 1 1 568 . 14 1 1 A 52 52 LYS N N 52 115.640 122.108 -6.468 1 1 569 . 14 1 1 A 52 52 LYS H H 52 9.145 9.030 0.115 1 1 570 . 14 1 1 A 52 52 LYS CA C 52 58.127 56.638 1.489 1 1 571 . 14 1 1 A 52 52 LYS HA H 52 4.040 4.424 -0.384 1 1 572 . 14 1 1 A 52 52 LYS CB C 52 29.405 32.220 -2.815 1 1 580 . 14 1 1 A 52 52 LYS C C 52 175.471 176.425 -0.954 1 1 585 . 14 1 1 A 53 53 ASP N N 53 117.607 120.738 -3.131 1 1 586 . 14 1 1 A 53 53 ASP H H 53 7.824 8.042 -0.218 1 1 587 . 14 1 1 A 53 53 ASP CA C 53 52.598 54.295 -1.697 1 1 588 . 14 1 1 A 53 53 ASP HA H 53 4.690 4.838 -0.148 1 1 589 . 14 1 1 A 53 53 ASP CB C 53 40.929 43.086 -2.157 1 1 591 . 14 1 1 A 53 53 ASP C C 53 177.173 176.362 0.811 1 1 593 . 14 1 1 A 54 54 GLY N N 54 108.692 107.396 1.296 1 1 594 . 14 1 1 A 54 54 GLY H H 54 8.548 8.113 0.435 1 1 595 . 14 1 1 A 54 54 GLY CA C 54 45.161 44.983 0.178 1 1 596 . 14 1 1 A 54 54 GLY HA3 H 54 3.653 4.006 -0.353 1 1 597 . 14 1 1 A 54 54 GLY C C 54 173.737 173.689 0.048 1 1 598 . 14 1 1 A 54 54 GLY HA2 H 54 4.372 4.004 0.368 1 1 599 . 14 1 1 A 55 55 THR N N 55 110.165 110.469 -0.304 1 1 600 . 14 1 1 A 55 55 THR H H 55 7.929 7.613 0.316 1 1 601 . 14 1 1 A 55 55 THR CA C 55 60.412 59.380 1.032 1 1 602 . 14 1 1 A 55 55 THR HA H 55 5.100 4.836 0.264 1 1 603 . 14 1 1 A 55 55 THR CB C 55 73.027 72.446 0.581 1 1 609 . 14 1 1 A 55 55 THR C C 55 174.206 173.085 1.121 1 1 610 . 14 1 1 A 56 56 VAL N N 56 115.822 120.632 -4.810 1 1 611 . 14 1 1 A 56 56 VAL H H 56 8.581 8.432 0.149 1 1 612 . 14 1 1 A 56 56 VAL CA C 56 59.608 59.813 -0.205 1 1 613 . 14 1 1 A 56 56 VAL HA H 56 5.132 5.216 -0.084 1 1 614 . 14 1 1 A 56 56 VAL CB C 56 35.607 35.236 0.371 1 1 624 . 14 1 1 A 56 56 VAL C C 56 174.437 174.887 -0.450 1 1 625 . 14 1 1 A 57 57 THR N N 57 120.574 121.299 -0.725 1 1 626 . 14 1 1 A 57 57 THR H H 57 9.151 8.661 0.490 1 1 627 . 14 1 1 A 57 57 THR CA C 57 61.543 61.688 -0.145 1 1 628 . 14 1 1 A 57 57 THR HA H 57 5.021 5.134 -0.113 1 1 629 . 14 1 1 A 57 57 THR CB C 57 71.080 70.800 0.280 1 1 635 . 14 1 1 A 57 57 THR C C 57 173.190 173.430 -0.240 1 1 636 . 14 1 1 A 58 58 VAL N N 58 127.832 127.632 0.200 1 1 637 . 14 1 1 A 58 58 VAL H H 58 9.296 9.138 0.158 1 1 638 . 14 1 1 A 58 58 VAL CA C 58 61.204 62.392 -1.188 1 1 639 . 14 1 1 A 58 58 VAL HA H 58 4.774 4.578 0.196 1 1 640 . 14 1 1 A 58 58 VAL CB C 58 32.626 31.328 1.298 1 1 650 . 14 1 1 A 58 58 VAL C C 58 173.991 175.014 -1.023 1 1 651 . 14 1 1 A 59 59 ARG N N 59 126.761 129.358 -2.597 1 1 652 . 14 1 1 A 59 59 ARG H H 59 9.190 8.763 0.427 1 1 653 . 14 1 1 A 59 59 ARG CA C 59 54.384 54.180 0.204 1 1 654 . 14 1 1 A 59 59 ARG HA H 59 5.488 5.594 -0.106 1 1 655 . 14 1 1 A 59 59 ARG CB C 59 34.262 34.106 0.156 1 1 661 . 14 1 1 A 59 59 ARG C C 59 174.849 173.964 0.885 1 1 665 . 14 1 1 A 60 60 TYR N N 60 123.838 125.651 -1.813 1 1 666 . 14 1 1 A 60 60 TYR H H 60 9.164 8.516 0.648 1 1 667 . 14 1 1 A 60 60 TYR CA C 60 56.684 58.356 -1.672 1 1 668 . 14 1 1 A 60 60 TYR HA H 60 5.024 4.916 0.108 1 1 669 . 14 1 1 A 60 60 TYR CB C 60 42.761 41.189 1.572 1 1 675 . 14 1 1 A 60 60 TYR C C 60 171.861 173.943 -2.082 1 1 677 . 14 1 1 A 61 61 ALA N N 61 134.382 131.879 2.503 1 1 678 . 14 1 1 A 61 61 ALA H H 61 8.023 8.776 -0.753 1 1 679 . 14 1 1 A 61 61 ALA CA C 61 47.869 49.447 -1.578 1 1 680 . 14 1 1 A 61 61 ALA HA H 61 4.670 4.290 0.380 1 1 681 . 14 1 1 A 61 61 ALA CB C 61 18.685 19.480 -0.795 1 1 685 . 14 1 1 A 61 61 ALA C C 61 172.714 175.880 -3.166 1 1 686 . 14 1 1 A 62 62 PRO CA C 62 62.455 62.270 0.185 1 1 687 . 14 1 1 A 62 62 PRO HA H 62 4.137 4.022 0.115 1 1 688 . 14 1 1 A 62 62 PRO CB C 62 33.972 31.612 2.360 1 1 694 . 14 1 1 A 62 62 PRO C C 62 175.567 176.394 -0.827 1 1 698 . 14 1 1 A 63 63 THR N N 63 106.145 113.259 -7.114 1 1 699 . 14 1 1 A 63 63 THR H H 63 8.819 8.482 0.337 1 1 700 . 14 1 1 A 63 63 THR CA C 63 60.795 63.459 -2.664 1 1 701 . 14 1 1 A 63 63 THR HA H 63 4.278 4.317 -0.039 1 1 702 . 14 1 1 A 63 63 THR CB C 63 70.379 69.376 1.003 1 1 708 . 14 1 1 A 63 63 THR C C 63 173.771 174.378 -0.607 1 1 709 . 14 1 1 A 64 64 GLU N N 64 119.851 119.019 0.832 1 1 710 . 14 1 1 A 64 64 GLU H H 64 7.217 7.686 -0.469 1 1 711 . 14 1 1 A 64 64 GLU CA C 64 54.483 54.959 -0.476 1 1 712 . 14 1 1 A 64 64 GLU HA H 64 4.560 4.598 -0.038 1 1 713 . 14 1 1 A 64 64 GLU CB C 64 33.675 32.741 0.934 1 1 717 . 14 1 1 A 64 64 GLU C C 64 173.177 175.327 -2.150 1 1 720 . 14 1 1 A 65 65 VAL N N 65 114.914 119.380 -4.466 1 1 721 . 14 1 1 A 65 65 VAL H H 65 7.740 8.361 -0.621 1 1 722 . 14 1 1 A 65 65 VAL CA C 65 61.412 60.908 0.504 1 1 723 . 14 1 1 A 65 65 VAL HA H 65 3.730 4.407 -0.677 1 1 724 . 14 1 1 A 65 65 VAL CB C 65 33.477 33.229 0.248 1 1 734 . 14 1 1 A 65 65 VAL C C 65 176.588 175.016 1.572 1 1 735 . 14 1 1 A 66 66 GLY N N 66 108.948 108.573 0.375 1 1 736 . 14 1 1 A 66 66 GLY H H 66 8.821 7.887 0.934 1 1 737 . 14 1 1 A 66 66 GLY CA C 66 43.304 43.906 -0.602 1 1 738 . 14 1 1 A 66 66 GLY HA3 H 66 4.468 3.930 0.538 1 1 739 . 14 1 1 A 66 66 GLY C C 66 175.811 171.237 4.574 1 1 740 . 14 1 1 A 66 66 GLY HA2 H 66 3.184 3.717 -0.533 1 1 741 . 14 1 1 A 67 67 LEU N N 67 126.594 121.948 4.646 1 1 742 . 14 1 1 A 67 67 LEU H H 67 9.023 8.233 0.790 1 1 743 . 14 1 1 A 67 67 LEU CA C 67 56.432 53.377 3.055 1 1 744 . 14 1 1 A 67 67 LEU HA H 67 4.137 4.798 -0.661 1 1 745 . 14 1 1 A 67 67 LEU CB C 67 41.933 44.010 -2.077 1 1 757 . 14 1 1 A 67 67 LEU C C 67 174.817 174.420 0.397 1 1 759 . 14 1 1 A 68 68 HIS N N 68 127.130 125.838 1.292 1 1 760 . 14 1 1 A 68 68 HIS H H 68 9.165 8.523 0.642 1 1 761 . 14 1 1 A 68 68 HIS CA C 68 54.518 53.995 0.523 1 1 762 . 14 1 1 A 68 68 HIS HA H 68 4.562 5.055 -0.493 1 1 763 . 14 1 1 A 68 68 HIS CB C 68 32.159 32.033 0.126 1 1 769 . 14 1 1 A 68 68 HIS C C 68 173.717 173.285 0.432 1 1 771 . 14 1 1 A 69 69 GLU N N 69 116.428 124.284 -7.856 1 1 772 . 14 1 1 A 69 69 GLU H H 69 8.096 8.672 -0.576 1 1 773 . 14 1 1 A 69 69 GLU CA C 69 54.625 54.921 -0.296 1 1 774 . 14 1 1 A 69 69 GLU HA H 69 5.274 5.246 0.028 1 1 775 . 14 1 1 A 69 69 GLU CB C 69 34.361 32.727 1.634 1 1 779 . 14 1 1 A 69 69 GLU C C 69 174.811 174.894 -0.083 1 1 782 . 14 1 1 A 70 70 MET N N 70 126.104 127.755 -1.651 1 1 783 . 14 1 1 A 70 70 MET H H 70 9.874 8.989 0.885 1 1 784 . 14 1 1 A 70 70 MET CA C 70 54.399 54.340 0.059 1 1 785 . 14 1 1 A 70 70 MET HA H 70 5.272 5.433 -0.161 1 1 786 . 14 1 1 A 70 70 MET CB C 70 36.158 35.011 1.147 1 1 794 . 14 1 1 A 70 70 MET C C 70 173.699 175.408 -1.709 1 1 797 . 14 1 1 A 71 71 HIS N N 71 129.007 122.584 6.423 1 1 798 . 14 1 1 A 71 71 HIS H H 71 9.533 9.479 0.054 1 1 799 . 14 1 1 A 71 71 HIS CA C 71 54.201 54.670 -0.469 1 1 800 . 14 1 1 A 71 71 HIS HA H 71 5.273 5.193 0.080 1 1 801 . 14 1 1 A 71 71 HIS CB C 71 33.546 32.232 1.314 1 1 807 . 14 1 1 A 71 71 HIS C C 71 174.997 174.353 0.644 1 1 809 . 14 1 1 A 72 72 ILE N N 72 126.123 123.503 2.620 1 1 810 . 14 1 1 A 72 72 ILE H H 72 9.842 9.063 0.779 1 1 811 . 14 1 1 A 72 72 ILE CA C 72 60.037 59.457 0.580 1 1 812 . 14 1 1 A 72 72 ILE HA H 72 4.885 4.924 -0.039 1 1 813 . 14 1 1 A 72 72 ILE CB C 72 40.102 40.787 -0.685 1 1 825 . 14 1 1 A 72 72 ILE C C 72 173.955 175.086 -1.131 1 1 827 . 14 1 1 A 73 73 LYS N N 73 124.414 125.134 -0.720 1 1 828 . 14 1 1 A 73 73 LYS H H 73 8.854 8.540 0.314 1 1 829 . 14 1 1 A 73 73 LYS CA C 73 54.200 54.745 -0.545 1 1 830 . 14 1 1 A 73 73 LYS HA H 73 4.964 5.016 -0.052 1 1 831 . 14 1 1 A 73 73 LYS CB C 73 36.335 36.613 -0.278 1 1 839 . 14 1 1 A 73 73 LYS C C 73 174.360 174.098 0.262 1 1 844 . 14 1 1 A 74 74 TYR N N 74 121.190 124.506 -3.316 1 1 845 . 14 1 1 A 74 74 TYR H H 74 8.979 9.293 -0.314 1 1 846 . 14 1 1 A 74 74 TYR CA C 74 55.271 57.541 -2.270 1 1 847 . 14 1 1 A 74 74 TYR HA H 74 5.365 4.860 0.505 1 1 848 . 14 1 1 A 74 74 TYR CB C 74 41.143 41.124 0.019 1 1 858 . 14 1 1 A 74 74 TYR C C 74 175.646 175.274 0.372 1 1 860 . 14 1 1 A 75 75 MET N N 75 125.219 126.865 -1.646 1 1 861 . 14 1 1 A 75 75 MET H H 75 9.096 9.471 -0.375 1 1 862 . 14 1 1 A 75 75 MET CA C 75 56.166 56.580 -0.414 1 1 863 . 14 1 1 A 75 75 MET HA H 75 3.920 4.030 -0.110 1 1 864 . 14 1 1 A 75 75 MET CB C 75 29.423 31.180 -1.757 1 1 872 . 14 1 1 A 75 75 MET C C 75 176.809 176.279 0.530 1 1 875 . 14 1 1 A 76 76 GLY N N 76 102.874 104.629 -1.755 1 1 876 . 14 1 1 A 76 76 GLY H H 76 8.573 8.627 -0.054 1 1 877 . 14 1 1 A 76 76 GLY CA C 76 45.421 46.324 -0.903 1 1 878 . 14 1 1 A 76 76 GLY HA3 H 76 4.221 3.904 0.317 1 1 879 . 14 1 1 A 76 76 GLY C C 76 174.014 173.632 0.382 1 1 880 . 14 1 1 A 76 76 GLY HA2 H 76 3.471 3.889 -0.418 1 1 881 . 14 1 1 A 77 77 SER N N 77 115.868 114.627 1.241 1 1 882 . 14 1 1 A 77 77 SER H H 77 7.609 7.509 0.100 1 1 883 . 14 1 1 A 77 77 SER CA C 77 56.956 56.988 -0.032 1 1 884 . 14 1 1 A 77 77 SER HA H 77 4.935 4.941 -0.006 1 1 885 . 14 1 1 A 77 77 SER CB C 77 65.336 65.518 -0.182 1 1 887 . 14 1 1 A 77 77 SER C C 77 173.677 173.141 0.536 1 1 889 . 14 1 1 A 78 78 HIS N N 78 124.606 124.661 -0.055 1 1 890 . 14 1 1 A 78 78 HIS H H 78 8.751 8.883 -0.132 1 1 891 . 14 1 1 A 78 78 HIS CA C 78 59.005 57.093 1.912 1 1 892 . 14 1 1 A 78 78 HIS HA H 78 4.617 4.687 -0.070 1 1 893 . 14 1 1 A 78 78 HIS CB C 78 32.066 30.873 1.193 1 1 899 . 14 1 1 A 78 78 HIS C C 78 178.429 175.593 2.836 1 1 901 . 14 1 1 A 79 79 ILE N N 79 117.547 119.043 -1.496 1 1 902 . 14 1 1 A 79 79 ILE H H 79 8.102 7.927 0.175 1 1 903 . 14 1 1 A 79 79 ILE CA C 79 61.442 58.469 2.973 1 1 904 . 14 1 1 A 79 79 ILE HA H 79 4.737 4.580 0.157 1 1 905 . 14 1 1 A 79 79 ILE CB C 79 35.644 38.329 -2.685 1 1 917 . 14 1 1 A 79 79 ILE C C 79 174.657 176.153 -1.496 1 1 919 . 14 1 1 A 80 80 PRO CA C 80 66.398 64.299 2.099 1 1 920 . 14 1 1 A 80 80 PRO HA H 80 4.296 4.536 -0.240 1 1 921 . 14 1 1 A 80 80 PRO CB C 80 31.380 31.542 -0.162 1 1 927 . 14 1 1 A 80 80 PRO C C 80 177.763 177.102 0.661 1 1 931 . 14 1 1 A 81 81 GLU N N 81 114.279 117.371 -3.092 1 1 932 . 14 1 1 A 81 81 GLU H H 81 8.913 8.361 0.552 1 1 933 . 14 1 1 A 81 81 GLU CA C 81 58.285 56.671 1.614 1 1 934 . 14 1 1 A 81 81 GLU HA H 81 4.043 4.563 -0.520 1 1 935 . 14 1 1 A 81 81 GLU CB C 81 29.010 31.204 -2.194 1 1 939 . 14 1 1 A 81 81 GLU C C 81 174.743 175.987 -1.244 1 1 942 . 14 1 1 A 82 82 SER N N 82 112.700 116.061 -3.361 1 1 943 . 14 1 1 A 82 82 SER H H 82 7.918 7.643 0.275 1 1 944 . 14 1 1 A 82 82 SER CA C 82 54.519 55.720 -1.201 1 1 945 . 14 1 1 A 82 82 SER HA H 82 4.798 4.881 -0.083 1 1 946 . 14 1 1 A 82 82 SER CB C 82 64.077 65.778 -1.701 1 1 948 . 14 1 1 A 82 82 SER C C 82 173.394 171.781 1.613 1 1 950 . 14 1 1 A 83 83 PRO CA C 83 62.597 62.337 0.260 1 1 951 . 14 1 1 A 83 83 PRO HA H 83 5.247 4.559 0.688 1 1 952 . 14 1 1 A 83 83 PRO CB C 83 34.681 32.773 1.908 1 1 958 . 14 1 1 A 83 83 PRO C C 83 175.783 175.796 -0.013 1 1 962 . 14 1 1 A 84 84 LEU N N 84 123.427 116.587 6.840 1 1 963 . 14 1 1 A 84 84 LEU H H 84 9.099 8.111 0.988 1 1 964 . 14 1 1 A 84 84 LEU CA C 84 54.413 52.624 1.789 1 1 965 . 14 1 1 A 84 84 LEU HA H 84 4.893 5.255 -0.362 1 1 966 . 14 1 1 A 84 84 LEU CB C 84 44.452 46.453 -2.001 1 1 978 . 14 1 1 A 84 84 LEU C C 84 176.054 175.822 0.232 1 1 980 . 14 1 1 A 85 85 GLN N N 85 122.438 118.542 3.896 1 1 981 . 14 1 1 A 85 85 GLN H H 85 8.869 8.663 0.206 1 1 982 . 14 1 1 A 85 85 GLN CA C 85 54.811 54.464 0.347 1 1 983 . 14 1 1 A 85 85 GLN HA H 85 5.359 5.239 0.120 1 1 984 . 14 1 1 A 85 85 GLN CB C 85 30.972 32.418 -1.446 1 1 991 . 14 1 1 A 85 85 GLN C C 85 175.687 174.707 0.980 1 1 994 . 14 1 1 A 86 86 PHE N N 86 118.108 119.497 -1.389 1 1 995 . 14 1 1 A 86 86 PHE H H 86 8.483 8.444 0.039 1 1 996 . 14 1 1 A 86 86 PHE CA C 86 56.104 55.538 0.566 1 1 997 . 14 1 1 A 86 86 PHE HA H 86 4.917 5.524 -0.607 1 1 998 . 14 1 1 A 86 86 PHE CB C 86 40.732 42.029 -1.297 1 1 1010 . 14 1 1 A 86 86 PHE C C 86 171.607 172.867 -1.260 1 1 1012 . 14 1 1 A 87 87 TYR N N 87 124.521 125.490 -0.969 1 1 1013 . 14 1 1 A 87 87 TYR H H 87 9.179 9.168 0.011 1 1 1014 . 14 1 1 A 87 87 TYR CA C 87 57.832 58.689 -0.857 1 1 1015 . 14 1 1 A 87 87 TYR HA H 87 4.643 5.142 -0.499 1 1 1016 . 14 1 1 A 87 87 TYR CB C 87 40.731 39.845 0.886 1 1 1026 . 14 1 1 A 87 87 TYR C C 87 175.145 174.192 0.953 1 1 1028 . 14 1 1 A 88 88 VAL N N 88 129.828 126.489 3.339 1 1 1029 . 14 1 1 A 88 88 VAL H H 88 7.865 8.535 -0.670 1 1 1030 . 14 1 1 A 88 88 VAL CA C 88 61.875 61.727 0.148 1 1 1031 . 14 1 1 A 88 88 VAL HA H 88 4.219 4.615 -0.396 1 1 1032 . 14 1 1 A 88 88 VAL CB C 88 32.943 32.519 0.424 1 1 1042 . 14 1 1 A 88 88 VAL C C 88 174.472 174.896 -0.424 1 1 1043 . 14 1 1 A 89 89 ASN N N 89 124.798 126.134 -1.336 1 1 1044 . 14 1 1 A 89 89 ASN H H 89 8.649 9.030 -0.381 1 1 1045 . 14 1 1 A 89 89 ASN CA C 89 52.062 52.082 -0.020 1 1 1046 . 14 1 1 A 89 89 ASN HA H 89 5.024 5.422 -0.398 1 1 1047 . 14 1 1 A 89 89 ASN CB C 89 41.470 40.828 0.642 1 1 1052 . 14 1 1 A 89 89 ASN C C 89 175.232 174.789 0.443 1 1 1054 . 14 1 1 A 90 90 TYR N N 90 119.662 125.650 -5.988 1 1 1055 . 14 1 1 A 90 90 TYR H H 90 8.559 8.973 -0.414 1 1 1056 . 14 1 1 A 90 90 TYR CA C 90 58.020 57.275 0.745 1 1 1057 . 14 1 1 A 90 90 TYR HA H 90 4.485 4.668 -0.183 1 1 1058 . 14 1 1 A 90 90 TYR CB C 90 37.880 39.823 -1.943 1 1 1068 . 14 1 1 A 90 90 TYR C C 90 174.972 174.637 0.335 1 1 1070 . 14 1 1 A 91 91 PRO CA C 91 63.396 62.600 0.796 1 1 1071 . 14 1 1 A 91 91 PRO HA H 91 4.337 4.623 -0.286 1 1 1072 . 14 1 1 A 91 91 PRO CB C 91 32.028 31.622 0.406 1 1 1081 . 14 1 1 A 92 92 ASN N N 92 118.175 123.832 -5.657 1 1 1082 . 14 1 1 A 92 92 ASN H H 92 8.429 8.844 -0.415 1 1 1083 . 14 1 1 A 92 92 ASN CA C 92 53.343 56.332 -2.989 1 1 1084 . 14 1 1 A 92 92 ASN HA H 92 4.691 4.509 0.182 1 1 1085 . 14 1 1 A 92 92 ASN CB C 92 39.000 38.039 0.961 1 1 1091 . 14 1 1 A 93 93 SER N N 93 115.984 113.644 2.340 1 1 1092 . 14 1 1 A 93 93 SER H H 93 8.344 8.177 0.167 1 1 1093 . 14 1 1 A 93 93 SER CA C 93 58.618 59.297 -0.679 1 1 1094 . 14 1 1 A 93 93 SER HA H 93 4.474 4.075 0.399 1 1 1095 . 14 1 1 A 93 93 SER CB C 93 63.894 62.149 1.745 1 1 1098 . 14 1 1 A 94 94 GLY N N 94 111.442 106.679 4.763 1 1 1099 . 14 1 1 A 94 94 GLY H H 94 8.499 8.378 0.121 1 1 1100 . 14 1 1 A 94 94 GLY CA C 94 45.417 45.903 -0.486 1 1 1101 . 14 1 1 A 94 94 GLY HA3 H 94 4.016 3.943 0.073 1 1 1102 . 14 1 1 A 94 94 GLY C C 94 173.391 174.667 -1.276 1 1 1103 . 14 1 1 A 94 94 GLY HA2 H 94 4.016 3.941 0.075 1 1 1 . 15 1 1 A 2 2 SER CA C 2 58.268 57.002 1.266 1 1 2 . 15 1 1 A 2 2 SER CB C 2 63.729 66.237 -2.508 1 1 3 . 15 1 1 A 2 2 SER C C 2 174.818 173.925 0.893 1 1 4 . 15 1 1 A 3 3 SER CA C 3 58.693 60.644 -1.951 1 1 5 . 15 1 1 A 3 3 SER CB C 3 63.906 63.989 -0.083 1 1 6 . 15 1 1 A 3 3 SER C C 3 174.981 176.131 -1.150 1 1 7 . 15 1 1 A 5 5 SER C C 5 178.688 175.251 3.437 1 1 8 . 15 1 1 A 6 6 SER CA C 6 58.453 59.755 -1.302 1 1 9 . 15 1 1 A 6 6 SER HA H 6 4.502 4.253 0.249 1 1 10 . 15 1 1 A 6 6 SER CB C 6 63.956 64.087 -0.131 1 1 13 . 15 1 1 A 7 7 GLY N N 7 110.931 107.994 2.937 1 1 14 . 15 1 1 A 7 7 GLY H H 7 8.436 7.468 0.968 1 1 15 . 15 1 1 A 7 7 GLY CA C 7 45.357 44.513 0.844 1 1 16 . 15 1 1 A 7 7 GLY HA3 H 7 3.979 4.140 -0.161 1 1 17 . 15 1 1 A 7 7 GLY C C 7 174.128 172.874 1.254 1 1 18 . 15 1 1 A 7 7 GLY HA2 H 7 3.979 4.139 -0.160 1 1 19 . 15 1 1 A 8 8 VAL N N 8 119.070 123.585 -4.515 1 1 20 . 15 1 1 A 8 8 VAL H H 8 8.006 8.165 -0.159 1 1 21 . 15 1 1 A 8 8 VAL CA C 8 62.332 62.565 -0.233 1 1 22 . 15 1 1 A 8 8 VAL HA H 8 4.180 4.165 0.015 1 1 23 . 15 1 1 A 8 8 VAL CB C 8 32.819 32.071 0.748 1 1 33 . 15 1 1 A 8 8 VAL C C 8 176.359 174.989 1.370 1 1 34 . 15 1 1 A 9 9 SER N N 9 119.223 123.443 -4.220 1 1 35 . 15 1 1 A 9 9 SER H H 9 8.418 8.919 -0.501 1 1 36 . 15 1 1 A 9 9 SER CA C 9 58.392 56.566 1.826 1 1 37 . 15 1 1 A 9 9 SER HA H 9 4.469 5.337 -0.868 1 1 38 . 15 1 1 A 9 9 SER CB C 9 63.948 64.570 -0.622 1 1 40 . 15 1 1 A 9 9 SER C C 9 174.256 172.938 1.318 1 1 42 . 15 1 1 A 10 10 ASP N N 10 122.453 124.578 -2.125 1 1 43 . 15 1 1 A 10 10 ASP H H 10 8.311 8.661 -0.350 1 1 44 . 15 1 1 A 10 10 ASP CA C 10 54.450 53.238 1.212 1 1 45 . 15 1 1 A 10 10 ASP HA H 10 4.592 5.066 -0.474 1 1 46 . 15 1 1 A 10 10 ASP CB C 10 41.174 41.738 -0.564 1 1 48 . 15 1 1 A 10 10 ASP C C 10 176.480 175.976 0.504 1 1 50 . 15 1 1 A 11 11 MET N N 11 120.428 119.132 1.296 1 1 51 . 15 1 1 A 11 11 MET H H 11 8.340 9.279 -0.939 1 1 52 . 15 1 1 A 11 11 MET CA C 11 55.757 56.334 -0.577 1 1 53 . 15 1 1 A 11 11 MET HA H 11 4.418 4.077 0.341 1 1 54 . 15 1 1 A 11 11 MET CB C 11 32.457 31.334 1.123 1 1 62 . 15 1 1 A 11 11 MET C C 11 176.391 175.074 1.317 1 1 65 . 15 1 1 A 12 12 ASN N N 12 118.914 110.300 8.614 1 1 66 . 15 1 1 A 12 12 ASN H H 12 8.416 8.522 -0.106 1 1 67 . 15 1 1 A 12 12 ASN CA C 12 53.687 54.355 -0.668 1 1 68 . 15 1 1 A 12 12 ASN HA H 12 4.660 4.434 0.226 1 1 69 . 15 1 1 A 12 12 ASN CB C 12 38.924 37.175 1.749 1 1 74 . 15 1 1 A 12 12 ASN C C 12 175.770 175.328 0.442 1 1 76 . 15 1 1 A 13 13 GLY N N 13 108.888 104.870 4.018 1 1 77 . 15 1 1 A 13 13 GLY H H 13 8.317 8.500 -0.183 1 1 78 . 15 1 1 A 13 13 GLY CA C 13 45.658 44.685 0.973 1 1 79 . 15 1 1 A 13 13 GLY HA3 H 13 3.920 3.980 -0.060 1 1 80 . 15 1 1 A 13 13 GLY C C 13 174.275 175.446 -1.171 1 1 81 . 15 1 1 A 13 13 GLY HA2 H 13 3.920 3.973 -0.053 1 1 82 . 15 1 1 A 14 14 LEU N N 14 120.990 121.687 -0.697 1 1 83 . 15 1 1 A 14 14 LEU H H 14 8.015 8.587 -0.572 1 1 84 . 15 1 1 A 14 14 LEU CA C 14 55.074 57.320 -2.246 1 1 85 . 15 1 1 A 14 14 LEU HA H 14 4.283 4.038 0.245 1 1 86 . 15 1 1 A 14 14 LEU CB C 14 42.572 42.038 0.534 1 1 98 . 15 1 1 A 14 14 LEU C C 14 177.365 177.098 0.267 1 1 100 . 15 1 1 A 15 15 GLY N N 15 107.853 104.216 3.637 1 1 101 . 15 1 1 A 15 15 GLY H H 15 8.198 7.411 0.787 1 1 102 . 15 1 1 A 15 15 GLY CA C 15 44.968 45.975 -1.007 1 1 103 . 15 1 1 A 15 15 GLY HA3 H 15 3.823 3.859 -0.036 1 1 104 . 15 1 1 A 15 15 GLY C C 15 173.829 172.625 1.204 1 1 105 . 15 1 1 A 15 15 GLY HA2 H 15 3.783 3.711 0.072 1 1 106 . 15 1 1 A 16 16 PHE N N 16 118.501 121.347 -2.846 1 1 107 . 15 1 1 A 16 16 PHE H H 16 7.868 7.655 0.213 1 1 108 . 15 1 1 A 16 16 PHE CA C 16 57.837 59.091 -1.254 1 1 109 . 15 1 1 A 16 16 PHE HA H 16 4.442 4.326 0.116 1 1 110 . 15 1 1 A 16 16 PHE CB C 16 40.278 39.506 0.772 1 1 122 . 15 1 1 A 16 16 PHE C C 16 176.569 175.769 0.800 1 1 124 . 15 1 1 A 17 17 LYS N N 17 126.087 123.436 2.651 1 1 125 . 15 1 1 A 17 17 LYS H H 17 8.611 8.567 0.044 1 1 126 . 15 1 1 A 17 17 LYS CA C 17 54.271 55.074 -0.803 1 1 127 . 15 1 1 A 17 17 LYS HA H 17 4.573 4.411 0.162 1 1 128 . 15 1 1 A 17 17 LYS CB C 17 32.818 31.593 1.225 1 1 136 . 15 1 1 A 17 17 LYS C C 17 174.147 174.611 -0.464 1 1 141 . 15 1 1 A 18 18 PRO CA C 18 62.850 62.422 0.428 1 1 142 . 15 1 1 A 18 18 PRO HA H 18 4.647 4.653 -0.006 1 1 143 . 15 1 1 A 18 18 PRO CB C 18 31.990 33.037 -1.047 1 1 149 . 15 1 1 A 18 18 PRO C C 18 176.220 175.609 0.611 1 1 153 . 15 1 1 A 19 19 PHE N N 19 123.581 121.767 1.814 1 1 154 . 15 1 1 A 19 19 PHE H H 19 8.905 8.728 0.177 1 1 155 . 15 1 1 A 19 19 PHE CA C 19 57.402 57.695 -0.293 1 1 156 . 15 1 1 A 19 19 PHE HA H 19 4.502 4.845 -0.343 1 1 157 . 15 1 1 A 19 19 PHE CB C 19 41.432 41.807 -0.375 1 1 169 . 15 1 1 A 19 19 PHE C C 19 173.078 173.219 -0.141 1 1 171 . 15 1 1 A 20 20 ASP N N 20 126.229 125.073 1.156 1 1 172 . 15 1 1 A 20 20 ASP H H 20 7.412 8.849 -1.437 1 1 173 . 15 1 1 A 20 20 ASP CA C 20 52.686 51.863 0.823 1 1 174 . 15 1 1 A 20 20 ASP HA H 20 5.248 5.333 -0.085 1 1 175 . 15 1 1 A 20 20 ASP CB C 20 44.081 43.026 1.055 1 1 177 . 15 1 1 A 20 20 ASP C C 20 174.098 173.914 0.184 1 1 179 . 15 1 1 A 21 21 LEU N N 21 123.421 123.387 0.034 1 1 180 . 15 1 1 A 21 21 LEU H H 21 8.641 8.029 0.612 1 1 181 . 15 1 1 A 21 21 LEU CA C 21 54.201 54.059 0.142 1 1 182 . 15 1 1 A 21 21 LEU HA H 21 4.367 4.735 -0.368 1 1 183 . 15 1 1 A 21 21 LEU CB C 21 46.118 45.799 0.319 1 1 195 . 15 1 1 A 21 21 LEU C C 21 174.294 173.631 0.663 1 1 197 . 15 1 1 A 22 22 VAL N N 22 127.339 125.463 1.876 1 1 198 . 15 1 1 A 22 22 VAL H H 22 8.451 8.952 -0.501 1 1 199 . 15 1 1 A 22 22 VAL CA C 22 61.986 60.063 1.923 1 1 200 . 15 1 1 A 22 22 VAL HA H 22 4.572 4.843 -0.271 1 1 201 . 15 1 1 A 22 22 VAL CB C 22 32.276 34.441 -2.165 1 1 211 . 15 1 1 A 22 22 VAL C C 22 176.066 175.244 0.822 1 1 212 . 15 1 1 A 23 23 ILE N N 23 128.645 129.675 -1.030 1 1 213 . 15 1 1 A 23 23 ILE H H 23 8.998 8.542 0.456 1 1 214 . 15 1 1 A 23 23 ILE CA C 23 57.193 60.495 -3.302 1 1 215 . 15 1 1 A 23 23 ILE HA H 23 4.489 4.121 0.368 1 1 216 . 15 1 1 A 23 23 ILE CB C 23 38.455 37.510 0.945 1 1 228 . 15 1 1 A 23 23 ILE C C 23 175.434 176.521 -1.087 1 1 230 . 15 1 1 A 24 24 PRO CA C 24 63.319 65.422 -2.103 1 1 231 . 15 1 1 A 24 24 PRO HA H 24 4.600 4.381 0.219 1 1 232 . 15 1 1 A 24 24 PRO CB C 24 30.324 32.001 -1.677 1 1 238 . 15 1 1 A 24 24 PRO C C 24 174.946 176.609 -1.663 1 1 242 . 15 1 1 A 25 25 PHE N N 25 121.530 114.127 7.403 1 1 243 . 15 1 1 A 25 25 PHE H H 25 7.582 7.894 -0.312 1 1 244 . 15 1 1 A 25 25 PHE CA C 25 56.635 55.888 0.747 1 1 245 . 15 1 1 A 25 25 PHE HA H 25 4.552 4.585 -0.033 1 1 246 . 15 1 1 A 25 25 PHE CB C 25 40.977 40.444 0.533 1 1 258 . 15 1 1 A 25 25 PHE C C 25 172.831 175.030 -2.199 1 1 260 . 15 1 1 A 26 26 ALA N N 26 124.526 123.026 1.500 1 1 261 . 15 1 1 A 26 26 ALA H H 26 7.993 8.493 -0.500 1 1 262 . 15 1 1 A 26 26 ALA CA C 26 52.074 50.711 1.363 1 1 263 . 15 1 1 A 26 26 ALA HA H 26 4.221 4.653 -0.432 1 1 264 . 15 1 1 A 26 26 ALA CB C 26 18.862 20.543 -1.681 1 1 268 . 15 1 1 A 26 26 ALA C C 26 176.973 176.152 0.821 1 1 269 . 15 1 1 A 27 27 VAL N N 27 118.422 118.404 0.018 1 1 270 . 15 1 1 A 27 27 VAL H H 27 8.046 8.351 -0.305 1 1 271 . 15 1 1 A 27 27 VAL CA C 27 61.375 59.384 1.991 1 1 272 . 15 1 1 A 27 27 VAL HA H 27 4.248 4.491 -0.243 1 1 273 . 15 1 1 A 27 27 VAL CB C 27 34.179 35.104 -0.925 1 1 283 . 15 1 1 A 27 27 VAL C C 27 175.445 173.736 1.709 1 1 284 . 15 1 1 A 28 28 ARG N N 28 122.785 125.369 -2.584 1 1 285 . 15 1 1 A 28 28 ARG H H 28 8.275 8.385 -0.110 1 1 286 . 15 1 1 A 28 28 ARG CA C 28 55.407 54.692 0.715 1 1 287 . 15 1 1 A 28 28 ARG HA H 28 4.473 4.703 -0.230 1 1 288 . 15 1 1 A 28 28 ARG CB C 28 31.087 32.158 -1.071 1 1 294 . 15 1 1 A 28 28 ARG C C 28 176.528 176.011 0.517 1 1 298 . 15 1 1 A 29 29 LYS N N 29 121.704 125.214 -3.510 1 1 299 . 15 1 1 A 29 29 LYS H H 29 8.484 8.664 -0.180 1 1 300 . 15 1 1 A 29 29 LYS CA C 29 57.888 58.744 -0.856 1 1 301 . 15 1 1 A 29 29 LYS HA H 29 4.170 3.837 0.333 1 1 302 . 15 1 1 A 29 29 LYS CB C 29 32.564 32.256 0.308 1 1 310 . 15 1 1 A 29 29 LYS C C 29 177.124 177.386 -0.262 1 1 315 . 15 1 1 A 30 30 GLY N N 30 109.946 112.270 -2.324 1 1 316 . 15 1 1 A 30 30 GLY H H 30 8.546 8.623 -0.077 1 1 317 . 15 1 1 A 30 30 GLY CA C 30 45.408 45.590 -0.182 1 1 318 . 15 1 1 A 30 30 GLY HA3 H 30 4.060 4.016 0.044 1 1 319 . 15 1 1 A 30 30 GLY C C 30 173.961 175.271 -1.310 1 1 320 . 15 1 1 A 30 30 GLY HA2 H 30 3.981 4.004 -0.023 1 1 321 . 15 1 1 A 31 31 GLU N N 31 118.290 123.159 -4.869 1 1 322 . 15 1 1 A 31 31 GLU H H 31 8.088 8.502 -0.414 1 1 323 . 15 1 1 A 31 31 GLU CA C 31 56.979 56.373 0.606 1 1 324 . 15 1 1 A 31 31 GLU HA H 31 4.418 4.446 -0.028 1 1 325 . 15 1 1 A 31 31 GLU CB C 31 31.108 30.168 0.940 1 1 329 . 15 1 1 A 31 31 GLU C C 31 176.184 175.142 1.042 1 1 332 . 15 1 1 A 32 32 ILE N N 32 121.780 121.850 -0.070 1 1 333 . 15 1 1 A 32 32 ILE H H 32 8.155 7.491 0.664 1 1 334 . 15 1 1 A 32 32 ILE CA C 32 58.252 59.153 -0.901 1 1 335 . 15 1 1 A 32 32 ILE HA H 32 5.409 5.155 0.254 1 1 336 . 15 1 1 A 32 32 ILE CB C 32 39.008 42.321 -3.313 1 1 348 . 15 1 1 A 32 32 ILE C C 32 175.262 174.355 0.907 1 1 350 . 15 1 1 A 33 33 THR N N 33 117.063 116.450 0.613 1 1 351 . 15 1 1 A 33 33 THR H H 33 8.906 8.610 0.296 1 1 352 . 15 1 1 A 33 33 THR CA C 33 59.591 59.863 -0.272 1 1 353 . 15 1 1 A 33 33 THR HA H 33 4.707 5.249 -0.542 1 1 354 . 15 1 1 A 33 33 THR CB C 33 72.003 72.415 -0.412 1 1 360 . 15 1 1 A 33 33 THR C C 33 173.146 172.795 0.351 1 1 361 . 15 1 1 A 34 34 GLY N N 34 106.583 108.351 -1.768 1 1 362 . 15 1 1 A 34 34 GLY H H 34 8.603 8.491 0.112 1 1 363 . 15 1 1 A 34 34 GLY CA C 34 45.032 44.932 0.100 1 1 364 . 15 1 1 A 34 34 GLY HA3 H 34 3.424 4.460 -1.036 1 1 365 . 15 1 1 A 34 34 GLY C C 34 172.260 172.270 -0.010 1 1 366 . 15 1 1 A 34 34 GLY HA2 H 34 5.351 4.449 0.902 1 1 367 . 15 1 1 A 35 35 GLU N N 35 118.818 120.954 -2.136 1 1 368 . 15 1 1 A 35 35 GLU H H 35 8.756 8.962 -0.206 1 1 369 . 15 1 1 A 35 35 GLU CA C 35 56.375 55.169 1.206 1 1 370 . 15 1 1 A 35 35 GLU HA H 35 4.739 5.086 -0.347 1 1 371 . 15 1 1 A 35 35 GLU CB C 35 34.673 33.895 0.778 1 1 375 . 15 1 1 A 35 35 GLU C C 35 173.645 174.483 -0.838 1 1 378 . 15 1 1 A 36 36 VAL N N 36 124.835 123.772 1.063 1 1 379 . 15 1 1 A 36 36 VAL H H 36 9.291 8.420 0.871 1 1 380 . 15 1 1 A 36 36 VAL CA C 36 60.780 61.232 -0.452 1 1 381 . 15 1 1 A 36 36 VAL HA H 36 4.751 4.812 -0.061 1 1 382 . 15 1 1 A 36 36 VAL CB C 36 33.990 34.847 -0.857 1 1 392 . 15 1 1 A 36 36 VAL C C 36 174.137 174.745 -0.608 1 1 393 . 15 1 1 A 37 37 HIS N N 37 126.324 126.046 0.278 1 1 394 . 15 1 1 A 37 37 HIS H H 37 9.294 9.296 -0.002 1 1 395 . 15 1 1 A 37 37 HIS CA C 37 54.625 54.738 -0.113 1 1 396 . 15 1 1 A 37 37 HIS HA H 37 4.751 4.912 -0.161 1 1 397 . 15 1 1 A 37 37 HIS CB C 37 30.676 29.452 1.224 1 1 403 . 15 1 1 A 37 37 HIS C C 37 174.317 174.727 -0.410 1 1 405 . 15 1 1 A 38 38 MET N N 38 122.552 124.082 -1.530 1 1 406 . 15 1 1 A 38 38 MET H H 38 8.303 8.605 -0.302 1 1 407 . 15 1 1 A 38 38 MET CA C 38 54.086 55.145 -1.059 1 1 408 . 15 1 1 A 38 38 MET HA H 38 4.089 4.298 -0.209 1 1 409 . 15 1 1 A 38 38 MET CB C 38 32.900 32.250 0.650 1 1 417 . 15 1 1 A 38 38 MET C C 38 174.851 175.972 -1.121 1 1 420 . 15 1 1 A 39 39 PRO CA C 39 65.874 64.193 1.681 1 1 421 . 15 1 1 A 39 39 PRO HA H 39 4.156 4.308 -0.152 1 1 422 . 15 1 1 A 39 39 PRO CB C 39 31.312 31.770 -0.458 1 1 428 . 15 1 1 A 39 39 PRO C C 39 178.047 177.950 0.097 1 1 432 . 15 1 1 A 40 40 SER N N 40 111.214 111.601 -0.387 1 1 433 . 15 1 1 A 40 40 SER H H 40 8.759 7.718 1.041 1 1 434 . 15 1 1 A 40 40 SER CA C 40 59.667 58.958 0.709 1 1 435 . 15 1 1 A 40 40 SER HA H 40 4.089 4.425 -0.336 1 1 436 . 15 1 1 A 40 40 SER CB C 40 62.726 63.307 -0.581 1 1 438 . 15 1 1 A 40 40 SER C C 40 176.300 174.555 1.745 1 1 440 . 15 1 1 A 41 41 GLY N N 41 111.180 108.752 2.428 1 1 441 . 15 1 1 A 41 41 GLY H H 41 8.293 7.668 0.625 1 1 442 . 15 1 1 A 41 41 GLY CA C 41 44.624 45.064 -0.440 1 1 443 . 15 1 1 A 41 41 GLY HA3 H 41 3.620 4.015 -0.395 1 1 444 . 15 1 1 A 41 41 GLY C C 41 174.516 173.809 0.707 1 1 445 . 15 1 1 A 41 41 GLY HA2 H 41 4.447 4.012 0.435 1 1 446 . 15 1 1 A 42 42 LYS N N 42 120.452 119.517 0.935 1 1 447 . 15 1 1 A 42 42 LYS H H 42 7.038 7.729 -0.691 1 1 448 . 15 1 1 A 42 42 LYS CA C 42 56.944 54.266 2.678 1 1 449 . 15 1 1 A 42 42 LYS HA H 42 4.286 4.780 -0.494 1 1 450 . 15 1 1 A 42 42 LYS CB C 42 33.719 35.513 -1.794 1 1 457 . 15 1 1 A 42 42 LYS C C 42 175.050 175.137 -0.087 1 1 462 . 15 1 1 A 43 43 THR N N 43 111.705 111.957 -0.252 1 1 463 . 15 1 1 A 43 43 THR H H 43 8.110 8.850 -0.740 1 1 464 . 15 1 1 A 43 43 THR CA C 43 59.653 59.806 -0.153 1 1 465 . 15 1 1 A 43 43 THR HA H 43 5.450 5.201 0.249 1 1 466 . 15 1 1 A 43 43 THR CB C 43 71.842 71.823 0.019 1 1 472 . 15 1 1 A 43 43 THR C C 43 174.054 173.361 0.693 1 1 473 . 15 1 1 A 44 44 ALA N N 44 123.338 122.094 1.244 1 1 474 . 15 1 1 A 44 44 ALA H H 44 8.683 8.267 0.416 1 1 475 . 15 1 1 A 44 44 ALA CA C 44 50.752 51.836 -1.084 1 1 476 . 15 1 1 A 44 44 ALA HA H 44 4.798 4.794 0.004 1 1 477 . 15 1 1 A 44 44 ALA CB C 44 24.091 22.981 1.110 1 1 481 . 15 1 1 A 44 44 ALA C C 44 175.947 175.942 0.005 1 1 482 . 15 1 1 A 45 45 THR N N 45 117.733 113.221 4.512 1 1 483 . 15 1 1 A 45 45 THR H H 45 8.934 8.501 0.433 1 1 484 . 15 1 1 A 45 45 THR CA C 45 59.517 59.315 0.202 1 1 485 . 15 1 1 A 45 45 THR HA H 45 4.894 4.810 0.084 1 1 486 . 15 1 1 A 45 45 THR CB C 45 70.403 69.558 0.845 1 1 492 . 15 1 1 A 45 45 THR C C 45 173.394 173.542 -0.148 1 1 493 . 15 1 1 A 46 46 PRO CA C 46 62.017 62.214 -0.197 1 1 494 . 15 1 1 A 46 46 PRO HA H 46 4.978 4.605 0.373 1 1 495 . 15 1 1 A 46 46 PRO CB C 46 32.885 32.932 -0.047 1 1 501 . 15 1 1 A 46 46 PRO C C 46 173.937 175.746 -1.809 1 1 505 . 15 1 1 A 47 47 GLU N N 47 120.450 120.619 -0.169 1 1 506 . 15 1 1 A 47 47 GLU H H 47 8.894 8.558 0.336 1 1 507 . 15 1 1 A 47 47 GLU CA C 47 56.040 55.186 0.854 1 1 508 . 15 1 1 A 47 47 GLU HA H 47 4.409 4.668 -0.259 1 1 509 . 15 1 1 A 47 47 GLU CB C 47 31.436 30.965 0.471 1 1 513 . 15 1 1 A 47 47 GLU C C 47 175.160 175.010 0.150 1 1 516 . 15 1 1 A 48 48 ILE N N 48 124.818 128.074 -3.256 1 1 517 . 15 1 1 A 48 48 ILE H H 48 8.467 8.772 -0.305 1 1 518 . 15 1 1 A 48 48 ILE CA C 48 60.408 60.279 0.129 1 1 519 . 15 1 1 A 48 48 ILE HA H 48 4.727 4.373 0.354 1 1 520 . 15 1 1 A 48 48 ILE CB C 48 38.177 36.508 1.669 1 1 532 . 15 1 1 A 48 48 ILE C C 48 175.681 174.766 0.915 1 1 534 . 15 1 1 A 49 49 VAL N N 49 129.411 128.219 1.192 1 1 535 . 15 1 1 A 49 49 VAL H H 49 9.417 8.649 0.768 1 1 536 . 15 1 1 A 49 49 VAL CA C 49 61.259 60.583 0.676 1 1 537 . 15 1 1 A 49 49 VAL HA H 49 4.188 4.728 -0.540 1 1 538 . 15 1 1 A 49 49 VAL CB C 49 34.719 35.114 -0.395 1 1 548 . 15 1 1 A 49 49 VAL C C 49 174.654 173.406 1.248 1 1 549 . 15 1 1 A 50 50 ASP N N 50 125.078 125.834 -0.756 1 1 550 . 15 1 1 A 50 50 ASP H H 50 8.664 8.802 -0.138 1 1 551 . 15 1 1 A 50 50 ASP CA C 50 53.899 52.435 1.464 1 1 552 . 15 1 1 A 50 50 ASP HA H 50 4.683 5.229 -0.546 1 1 553 . 15 1 1 A 50 50 ASP CB C 50 41.270 42.171 -0.901 1 1 555 . 15 1 1 A 50 50 ASP C C 50 176.440 175.681 0.759 1 1 557 . 15 1 1 A 51 51 ASN N N 51 123.926 126.017 -2.091 1 1 558 . 15 1 1 A 51 51 ASN H H 51 8.212 8.910 -0.698 1 1 559 . 15 1 1 A 51 51 ASN CA C 51 53.917 53.603 0.314 1 1 560 . 15 1 1 A 51 51 ASN HA H 51 4.703 4.641 0.062 1 1 561 . 15 1 1 A 51 51 ASN CB C 51 38.667 39.467 -0.800 1 1 566 . 15 1 1 A 51 51 ASN C C 51 176.260 175.659 0.601 1 1 568 . 15 1 1 A 52 52 LYS N N 52 115.640 122.536 -6.896 1 1 569 . 15 1 1 A 52 52 LYS H H 52 9.145 8.517 0.628 1 1 570 . 15 1 1 A 52 52 LYS CA C 52 58.127 55.676 2.451 1 1 571 . 15 1 1 A 52 52 LYS HA H 52 4.040 4.534 -0.494 1 1 572 . 15 1 1 A 52 52 LYS CB C 52 29.405 32.957 -3.552 1 1 580 . 15 1 1 A 52 52 LYS C C 52 175.471 177.230 -1.759 1 1 585 . 15 1 1 A 53 53 ASP N N 53 117.607 119.783 -2.176 1 1 586 . 15 1 1 A 53 53 ASP H H 53 7.824 7.743 0.081 1 1 587 . 15 1 1 A 53 53 ASP CA C 53 52.598 54.253 -1.655 1 1 588 . 15 1 1 A 53 53 ASP HA H 53 4.690 4.862 -0.172 1 1 589 . 15 1 1 A 53 53 ASP CB C 53 40.929 43.725 -2.796 1 1 591 . 15 1 1 A 53 53 ASP C C 53 177.173 176.404 0.769 1 1 593 . 15 1 1 A 54 54 GLY N N 54 108.692 106.241 2.451 1 1 594 . 15 1 1 A 54 54 GLY H H 54 8.548 7.964 0.584 1 1 595 . 15 1 1 A 54 54 GLY CA C 54 45.161 45.017 0.144 1 1 596 . 15 1 1 A 54 54 GLY HA3 H 54 3.653 4.033 -0.380 1 1 597 . 15 1 1 A 54 54 GLY C C 54 173.737 173.589 0.148 1 1 598 . 15 1 1 A 54 54 GLY HA2 H 54 4.372 4.031 0.341 1 1 599 . 15 1 1 A 55 55 THR N N 55 110.165 109.813 0.352 1 1 600 . 15 1 1 A 55 55 THR H H 55 7.929 7.507 0.422 1 1 601 . 15 1 1 A 55 55 THR CA C 55 60.412 59.797 0.615 1 1 602 . 15 1 1 A 55 55 THR HA H 55 5.100 4.934 0.166 1 1 603 . 15 1 1 A 55 55 THR CB C 55 73.027 72.787 0.240 1 1 609 . 15 1 1 A 55 55 THR C C 55 174.206 172.777 1.429 1 1 610 . 15 1 1 A 56 56 VAL N N 56 115.822 120.417 -4.595 1 1 611 . 15 1 1 A 56 56 VAL H H 56 8.581 8.472 0.109 1 1 612 . 15 1 1 A 56 56 VAL CA C 56 59.608 60.330 -0.722 1 1 613 . 15 1 1 A 56 56 VAL HA H 56 5.132 5.341 -0.209 1 1 614 . 15 1 1 A 56 56 VAL CB C 56 35.607 34.492 1.115 1 1 624 . 15 1 1 A 56 56 VAL C C 56 174.437 175.172 -0.735 1 1 625 . 15 1 1 A 57 57 THR N N 57 120.574 121.378 -0.804 1 1 626 . 15 1 1 A 57 57 THR H H 57 9.151 8.762 0.389 1 1 627 . 15 1 1 A 57 57 THR CA C 57 61.543 61.503 0.040 1 1 628 . 15 1 1 A 57 57 THR HA H 57 5.021 5.060 -0.039 1 1 629 . 15 1 1 A 57 57 THR CB C 57 71.080 71.322 -0.242 1 1 635 . 15 1 1 A 57 57 THR C C 57 173.190 173.305 -0.115 1 1 636 . 15 1 1 A 58 58 VAL N N 58 127.832 127.867 -0.035 1 1 637 . 15 1 1 A 58 58 VAL H H 58 9.296 8.828 0.468 1 1 638 . 15 1 1 A 58 58 VAL CA C 58 61.204 62.694 -1.490 1 1 639 . 15 1 1 A 58 58 VAL HA H 58 4.774 4.502 0.272 1 1 640 . 15 1 1 A 58 58 VAL CB C 58 32.626 30.741 1.885 1 1 650 . 15 1 1 A 58 58 VAL C C 58 173.991 174.632 -0.641 1 1 651 . 15 1 1 A 59 59 ARG N N 59 126.761 128.838 -2.077 1 1 652 . 15 1 1 A 59 59 ARG H H 59 9.190 8.756 0.434 1 1 653 . 15 1 1 A 59 59 ARG CA C 59 54.384 54.812 -0.428 1 1 654 . 15 1 1 A 59 59 ARG HA H 59 5.488 5.021 0.467 1 1 655 . 15 1 1 A 59 59 ARG CB C 59 34.262 31.991 2.271 1 1 661 . 15 1 1 A 59 59 ARG C C 59 174.849 174.994 -0.145 1 1 665 . 15 1 1 A 60 60 TYR N N 60 123.838 127.120 -3.282 1 1 666 . 15 1 1 A 60 60 TYR H H 60 9.164 8.864 0.300 1 1 667 . 15 1 1 A 60 60 TYR CA C 60 56.684 57.511 -0.827 1 1 668 . 15 1 1 A 60 60 TYR HA H 60 5.024 5.123 -0.099 1 1 669 . 15 1 1 A 60 60 TYR CB C 60 42.761 42.306 0.455 1 1 675 . 15 1 1 A 60 60 TYR C C 60 171.861 173.600 -1.739 1 1 677 . 15 1 1 A 61 61 ALA N N 61 134.382 129.946 4.436 1 1 678 . 15 1 1 A 61 61 ALA H H 61 8.023 8.389 -0.366 1 1 679 . 15 1 1 A 61 61 ALA CA C 61 47.869 48.682 -0.813 1 1 680 . 15 1 1 A 61 61 ALA HA H 61 4.670 4.642 0.028 1 1 681 . 15 1 1 A 61 61 ALA CB C 61 18.685 20.237 -1.552 1 1 685 . 15 1 1 A 61 61 ALA C C 61 172.714 174.926 -2.212 1 1 686 . 15 1 1 A 62 62 PRO CA C 62 62.455 62.526 -0.071 1 1 687 . 15 1 1 A 62 62 PRO HA H 62 4.137 4.404 -0.267 1 1 688 . 15 1 1 A 62 62 PRO CB C 62 33.972 31.688 2.284 1 1 694 . 15 1 1 A 62 62 PRO C C 62 175.567 176.842 -1.275 1 1 698 . 15 1 1 A 63 63 THR N N 63 106.145 113.707 -7.562 1 1 699 . 15 1 1 A 63 63 THR H H 63 8.819 8.681 0.138 1 1 700 . 15 1 1 A 63 63 THR CA C 63 60.795 63.285 -2.490 1 1 701 . 15 1 1 A 63 63 THR HA H 63 4.278 4.477 -0.199 1 1 702 . 15 1 1 A 63 63 THR CB C 63 70.379 69.497 0.882 1 1 708 . 15 1 1 A 63 63 THR C C 63 173.771 174.573 -0.802 1 1 709 . 15 1 1 A 64 64 GLU N N 64 119.851 119.073 0.778 1 1 710 . 15 1 1 A 64 64 GLU H H 64 7.217 7.620 -0.403 1 1 711 . 15 1 1 A 64 64 GLU CA C 64 54.483 54.298 0.185 1 1 712 . 15 1 1 A 64 64 GLU HA H 64 4.560 4.661 -0.101 1 1 713 . 15 1 1 A 64 64 GLU CB C 64 33.675 34.482 -0.807 1 1 717 . 15 1 1 A 64 64 GLU C C 64 173.177 175.397 -2.220 1 1 720 . 15 1 1 A 65 65 VAL N N 65 114.914 119.081 -4.167 1 1 721 . 15 1 1 A 65 65 VAL H H 65 7.740 8.457 -0.717 1 1 722 . 15 1 1 A 65 65 VAL CA C 65 61.412 61.568 -0.156 1 1 723 . 15 1 1 A 65 65 VAL HA H 65 3.730 4.122 -0.392 1 1 724 . 15 1 1 A 65 65 VAL CB C 65 33.477 33.169 0.308 1 1 734 . 15 1 1 A 65 65 VAL C C 65 176.588 174.952 1.636 1 1 735 . 15 1 1 A 66 66 GLY N N 66 108.948 108.425 0.523 1 1 736 . 15 1 1 A 66 66 GLY H H 66 8.821 7.975 0.846 1 1 737 . 15 1 1 A 66 66 GLY CA C 66 43.304 43.592 -0.288 1 1 738 . 15 1 1 A 66 66 GLY HA3 H 66 4.468 3.932 0.536 1 1 739 . 15 1 1 A 66 66 GLY C C 66 175.811 171.842 3.969 1 1 740 . 15 1 1 A 66 66 GLY HA2 H 66 3.184 3.826 -0.642 1 1 741 . 15 1 1 A 67 67 LEU N N 67 126.594 122.240 4.354 1 1 742 . 15 1 1 A 67 67 LEU H H 67 9.023 8.284 0.739 1 1 743 . 15 1 1 A 67 67 LEU CA C 67 56.432 53.425 3.007 1 1 744 . 15 1 1 A 67 67 LEU HA H 67 4.137 4.820 -0.683 1 1 745 . 15 1 1 A 67 67 LEU CB C 67 41.933 43.967 -2.034 1 1 757 . 15 1 1 A 67 67 LEU C C 67 174.817 174.752 0.065 1 1 759 . 15 1 1 A 68 68 HIS N N 68 127.130 126.097 1.033 1 1 760 . 15 1 1 A 68 68 HIS H H 68 9.165 8.405 0.760 1 1 761 . 15 1 1 A 68 68 HIS CA C 68 54.518 54.690 -0.172 1 1 762 . 15 1 1 A 68 68 HIS HA H 68 4.562 4.738 -0.176 1 1 763 . 15 1 1 A 68 68 HIS CB C 68 32.159 30.719 1.440 1 1 769 . 15 1 1 A 68 68 HIS C C 68 173.717 173.796 -0.079 1 1 771 . 15 1 1 A 69 69 GLU N N 69 116.428 123.503 -7.075 1 1 772 . 15 1 1 A 69 69 GLU H H 69 8.096 8.691 -0.595 1 1 773 . 15 1 1 A 69 69 GLU CA C 69 54.625 55.007 -0.382 1 1 774 . 15 1 1 A 69 69 GLU HA H 69 5.274 5.153 0.121 1 1 775 . 15 1 1 A 69 69 GLU CB C 69 34.361 32.493 1.868 1 1 779 . 15 1 1 A 69 69 GLU C C 69 174.811 175.093 -0.282 1 1 782 . 15 1 1 A 70 70 MET N N 70 126.104 127.945 -1.841 1 1 783 . 15 1 1 A 70 70 MET H H 70 9.874 9.014 0.860 1 1 784 . 15 1 1 A 70 70 MET CA C 70 54.399 54.480 -0.081 1 1 785 . 15 1 1 A 70 70 MET HA H 70 5.272 5.174 0.098 1 1 786 . 15 1 1 A 70 70 MET CB C 70 36.158 34.732 1.426 1 1 794 . 15 1 1 A 70 70 MET C C 70 173.699 175.559 -1.860 1 1 797 . 15 1 1 A 71 71 HIS N N 71 129.007 122.575 6.432 1 1 798 . 15 1 1 A 71 71 HIS H H 71 9.533 9.511 0.022 1 1 799 . 15 1 1 A 71 71 HIS CA C 71 54.201 54.739 -0.538 1 1 800 . 15 1 1 A 71 71 HIS HA H 71 5.273 5.226 0.047 1 1 801 . 15 1 1 A 71 71 HIS CB C 71 33.546 32.200 1.346 1 1 807 . 15 1 1 A 71 71 HIS C C 71 174.997 174.429 0.568 1 1 809 . 15 1 1 A 72 72 ILE N N 72 126.123 123.449 2.674 1 1 810 . 15 1 1 A 72 72 ILE H H 72 9.842 9.049 0.793 1 1 811 . 15 1 1 A 72 72 ILE CA C 72 60.037 59.557 0.480 1 1 812 . 15 1 1 A 72 72 ILE HA H 72 4.885 4.833 0.052 1 1 813 . 15 1 1 A 72 72 ILE CB C 72 40.102 41.180 -1.078 1 1 825 . 15 1 1 A 72 72 ILE C C 72 173.955 175.155 -1.200 1 1 827 . 15 1 1 A 73 73 LYS N N 73 124.414 124.749 -0.335 1 1 828 . 15 1 1 A 73 73 LYS H H 73 8.854 8.624 0.230 1 1 829 . 15 1 1 A 73 73 LYS CA C 73 54.200 54.867 -0.667 1 1 830 . 15 1 1 A 73 73 LYS HA H 73 4.964 5.093 -0.129 1 1 831 . 15 1 1 A 73 73 LYS CB C 73 36.335 35.977 0.358 1 1 839 . 15 1 1 A 73 73 LYS C C 73 174.360 174.218 0.142 1 1 844 . 15 1 1 A 74 74 TYR N N 74 121.190 126.523 -5.333 1 1 845 . 15 1 1 A 74 74 TYR H H 74 8.979 9.244 -0.265 1 1 846 . 15 1 1 A 74 74 TYR CA C 74 55.271 57.495 -2.224 1 1 847 . 15 1 1 A 74 74 TYR HA H 74 5.365 4.912 0.453 1 1 848 . 15 1 1 A 74 74 TYR CB C 74 41.143 40.498 0.645 1 1 858 . 15 1 1 A 74 74 TYR C C 74 175.646 174.947 0.699 1 1 860 . 15 1 1 A 75 75 MET N N 75 125.219 127.320 -2.101 1 1 861 . 15 1 1 A 75 75 MET H H 75 9.096 9.670 -0.574 1 1 862 . 15 1 1 A 75 75 MET CA C 75 56.166 56.679 -0.513 1 1 863 . 15 1 1 A 75 75 MET HA H 75 3.920 4.377 -0.457 1 1 864 . 15 1 1 A 75 75 MET CB C 75 29.423 31.160 -1.737 1 1 872 . 15 1 1 A 75 75 MET C C 75 176.809 176.359 0.450 1 1 875 . 15 1 1 A 76 76 GLY N N 76 102.874 104.449 -1.575 1 1 876 . 15 1 1 A 76 76 GLY H H 76 8.573 8.645 -0.072 1 1 877 . 15 1 1 A 76 76 GLY CA C 76 45.421 46.194 -0.773 1 1 878 . 15 1 1 A 76 76 GLY HA3 H 76 4.221 3.897 0.324 1 1 879 . 15 1 1 A 76 76 GLY C C 76 174.014 173.684 0.330 1 1 880 . 15 1 1 A 76 76 GLY HA2 H 76 3.471 3.880 -0.409 1 1 881 . 15 1 1 A 77 77 SER N N 77 115.868 114.887 0.981 1 1 882 . 15 1 1 A 77 77 SER H H 77 7.609 7.577 0.032 1 1 883 . 15 1 1 A 77 77 SER CA C 77 56.956 56.386 0.570 1 1 884 . 15 1 1 A 77 77 SER HA H 77 4.935 4.979 -0.044 1 1 885 . 15 1 1 A 77 77 SER CB C 77 65.336 65.476 -0.140 1 1 887 . 15 1 1 A 77 77 SER C C 77 173.677 173.124 0.553 1 1 889 . 15 1 1 A 78 78 HIS N N 78 124.606 125.519 -0.913 1 1 890 . 15 1 1 A 78 78 HIS H H 78 8.751 9.167 -0.416 1 1 891 . 15 1 1 A 78 78 HIS CA C 78 59.005 56.533 2.472 1 1 892 . 15 1 1 A 78 78 HIS HA H 78 4.617 4.736 -0.119 1 1 893 . 15 1 1 A 78 78 HIS CB C 78 32.066 30.419 1.647 1 1 899 . 15 1 1 A 78 78 HIS C C 78 178.429 175.857 2.572 1 1 901 . 15 1 1 A 79 79 ILE N N 79 117.547 120.852 -3.305 1 1 902 . 15 1 1 A 79 79 ILE H H 79 8.102 8.626 -0.524 1 1 903 . 15 1 1 A 79 79 ILE CA C 79 61.442 59.324 2.118 1 1 904 . 15 1 1 A 79 79 ILE HA H 79 4.737 4.496 0.241 1 1 905 . 15 1 1 A 79 79 ILE CB C 79 35.644 37.766 -2.122 1 1 917 . 15 1 1 A 79 79 ILE C C 79 174.657 176.500 -1.843 1 1 919 . 15 1 1 A 80 80 PRO CA C 80 66.398 64.292 2.106 1 1 920 . 15 1 1 A 80 80 PRO HA H 80 4.296 4.546 -0.250 1 1 921 . 15 1 1 A 80 80 PRO CB C 80 31.380 31.552 -0.172 1 1 927 . 15 1 1 A 80 80 PRO C C 80 177.763 177.258 0.505 1 1 931 . 15 1 1 A 81 81 GLU N N 81 114.279 117.683 -3.404 1 1 932 . 15 1 1 A 81 81 GLU H H 81 8.913 8.386 0.527 1 1 933 . 15 1 1 A 81 81 GLU CA C 81 58.285 55.909 2.376 1 1 934 . 15 1 1 A 81 81 GLU HA H 81 4.043 4.639 -0.596 1 1 935 . 15 1 1 A 81 81 GLU CB C 81 29.010 30.873 -1.863 1 1 939 . 15 1 1 A 81 81 GLU C C 81 174.743 175.677 -0.934 1 1 942 . 15 1 1 A 82 82 SER N N 82 112.700 114.024 -1.324 1 1 943 . 15 1 1 A 82 82 SER H H 82 7.918 7.615 0.303 1 1 944 . 15 1 1 A 82 82 SER CA C 82 54.519 55.213 -0.694 1 1 945 . 15 1 1 A 82 82 SER HA H 82 4.798 4.886 -0.088 1 1 946 . 15 1 1 A 82 82 SER CB C 82 64.077 65.782 -1.705 1 1 948 . 15 1 1 A 82 82 SER C C 82 173.394 171.875 1.519 1 1 950 . 15 1 1 A 83 83 PRO CA C 83 62.597 62.265 0.332 1 1 951 . 15 1 1 A 83 83 PRO HA H 83 5.247 4.889 0.358 1 1 952 . 15 1 1 A 83 83 PRO CB C 83 34.681 32.973 1.708 1 1 958 . 15 1 1 A 83 83 PRO C C 83 175.783 175.681 0.102 1 1 962 . 15 1 1 A 84 84 LEU N N 84 123.427 115.959 7.468 1 1 963 . 15 1 1 A 84 84 LEU H H 84 9.099 8.086 1.013 1 1 964 . 15 1 1 A 84 84 LEU CA C 84 54.413 52.579 1.834 1 1 965 . 15 1 1 A 84 84 LEU HA H 84 4.893 5.203 -0.310 1 1 966 . 15 1 1 A 84 84 LEU CB C 84 44.452 46.518 -2.066 1 1 978 . 15 1 1 A 84 84 LEU C C 84 176.054 175.367 0.687 1 1 980 . 15 1 1 A 85 85 GLN N N 85 122.438 118.669 3.769 1 1 981 . 15 1 1 A 85 85 GLN H H 85 8.869 8.536 0.333 1 1 982 . 15 1 1 A 85 85 GLN CA C 85 54.811 54.249 0.562 1 1 983 . 15 1 1 A 85 85 GLN HA H 85 5.359 5.154 0.205 1 1 984 . 15 1 1 A 85 85 GLN CB C 85 30.972 31.863 -0.891 1 1 991 . 15 1 1 A 85 85 GLN C C 85 175.687 174.898 0.789 1 1 994 . 15 1 1 A 86 86 PHE N N 86 118.108 119.352 -1.244 1 1 995 . 15 1 1 A 86 86 PHE H H 86 8.483 8.257 0.226 1 1 996 . 15 1 1 A 86 86 PHE CA C 86 56.104 55.594 0.510 1 1 997 . 15 1 1 A 86 86 PHE HA H 86 4.917 5.461 -0.544 1 1 998 . 15 1 1 A 86 86 PHE CB C 86 40.732 42.032 -1.300 1 1 1010 . 15 1 1 A 86 86 PHE C C 86 171.607 172.573 -0.966 1 1 1012 . 15 1 1 A 87 87 TYR N N 87 124.521 125.714 -1.193 1 1 1013 . 15 1 1 A 87 87 TYR H H 87 9.179 9.212 -0.033 1 1 1014 . 15 1 1 A 87 87 TYR CA C 87 57.832 57.963 -0.131 1 1 1015 . 15 1 1 A 87 87 TYR HA H 87 4.643 5.059 -0.416 1 1 1016 . 15 1 1 A 87 87 TYR CB C 87 40.731 40.066 0.665 1 1 1026 . 15 1 1 A 87 87 TYR C C 87 175.145 174.150 0.995 1 1 1028 . 15 1 1 A 88 88 VAL N N 88 129.828 126.444 3.384 1 1 1029 . 15 1 1 A 88 88 VAL H H 88 7.865 8.043 -0.178 1 1 1030 . 15 1 1 A 88 88 VAL CA C 88 61.875 61.299 0.576 1 1 1031 . 15 1 1 A 88 88 VAL HA H 88 4.219 4.618 -0.399 1 1 1032 . 15 1 1 A 88 88 VAL CB C 88 32.943 32.681 0.262 1 1 1042 . 15 1 1 A 88 88 VAL C C 88 174.472 175.127 -0.655 1 1 1043 . 15 1 1 A 89 89 ASN N N 89 124.798 126.269 -1.471 1 1 1044 . 15 1 1 A 89 89 ASN H H 89 8.649 8.823 -0.174 1 1 1045 . 15 1 1 A 89 89 ASN CA C 89 52.062 53.021 -0.959 1 1 1046 . 15 1 1 A 89 89 ASN HA H 89 5.024 5.152 -0.128 1 1 1047 . 15 1 1 A 89 89 ASN CB C 89 41.470 39.955 1.515 1 1 1052 . 15 1 1 A 89 89 ASN C C 89 175.232 174.922 0.310 1 1 1054 . 15 1 1 A 90 90 TYR N N 90 119.662 122.927 -3.265 1 1 1055 . 15 1 1 A 90 90 TYR H H 90 8.559 8.930 -0.371 1 1 1056 . 15 1 1 A 90 90 TYR CA C 90 58.020 56.926 1.094 1 1 1057 . 15 1 1 A 90 90 TYR HA H 90 4.485 4.864 -0.379 1 1 1058 . 15 1 1 A 90 90 TYR CB C 90 37.880 39.785 -1.905 1 1 1068 . 15 1 1 A 90 90 TYR C C 90 174.972 174.800 0.172 1 1 1070 . 15 1 1 A 91 91 PRO CA C 91 63.396 62.393 1.003 1 1 1071 . 15 1 1 A 91 91 PRO HA H 91 4.337 4.657 -0.320 1 1 1072 . 15 1 1 A 91 91 PRO CB C 91 32.028 31.419 0.609 1 1 1081 . 15 1 1 A 92 92 ASN N N 92 118.175 123.297 -5.122 1 1 1082 . 15 1 1 A 92 92 ASN H H 92 8.429 8.909 -0.480 1 1 1083 . 15 1 1 A 92 92 ASN CA C 92 53.343 55.285 -1.942 1 1 1084 . 15 1 1 A 92 92 ASN HA H 92 4.691 4.898 -0.207 1 1 1085 . 15 1 1 A 92 92 ASN CB C 92 39.000 39.274 -0.274 1 1 1091 . 15 1 1 A 93 93 SER N N 93 115.984 114.184 1.800 1 1 1092 . 15 1 1 A 93 93 SER H H 93 8.344 8.009 0.335 1 1 1093 . 15 1 1 A 93 93 SER CA C 93 58.618 56.853 1.765 1 1 1094 . 15 1 1 A 93 93 SER HA H 93 4.474 4.599 -0.125 1 1 1095 . 15 1 1 A 93 93 SER CB C 93 63.894 64.298 -0.404 1 1 1098 . 15 1 1 A 94 94 GLY N N 94 111.442 115.170 -3.728 1 1 1099 . 15 1 1 A 94 94 GLY H H 94 8.499 8.689 -0.190 1 1 1100 . 15 1 1 A 94 94 GLY CA C 94 45.417 46.650 -1.233 1 1 1101 . 15 1 1 A 94 94 GLY HA3 H 94 4.016 3.843 0.173 1 1 1102 . 15 1 1 A 94 94 GLY C C 94 173.391 175.530 -2.139 1 1 1103 . 15 1 1 A 94 94 GLY HA2 H 94 4.016 3.841 0.175 1 1 1 . 16 1 1 A 2 2 SER CA C 2 58.268 58.588 -0.320 1 1 2 . 16 1 1 A 2 2 SER CB C 2 63.729 63.244 0.485 1 1 3 . 16 1 1 A 2 2 SER C C 2 174.818 175.747 -0.929 1 1 4 . 16 1 1 A 3 3 SER CA C 3 58.693 59.405 -0.712 1 1 5 . 16 1 1 A 3 3 SER CB C 3 63.906 63.763 0.143 1 1 6 . 16 1 1 A 3 3 SER C C 3 174.981 174.154 0.827 1 1 7 . 16 1 1 A 5 5 SER C C 5 178.688 174.241 4.447 1 1 8 . 16 1 1 A 6 6 SER CA C 6 58.453 56.186 2.267 1 1 9 . 16 1 1 A 6 6 SER HA H 6 4.502 5.080 -0.578 1 1 10 . 16 1 1 A 6 6 SER CB C 6 63.956 66.072 -2.116 1 1 13 . 16 1 1 A 7 7 GLY N N 7 110.931 110.328 0.603 1 1 14 . 16 1 1 A 7 7 GLY H H 7 8.436 8.491 -0.055 1 1 15 . 16 1 1 A 7 7 GLY CA C 7 45.357 44.761 0.596 1 1 16 . 16 1 1 A 7 7 GLY HA3 H 7 3.979 4.098 -0.119 1 1 17 . 16 1 1 A 7 7 GLY C C 7 174.128 173.204 0.924 1 1 18 . 16 1 1 A 7 7 GLY HA2 H 7 3.979 4.093 -0.114 1 1 19 . 16 1 1 A 8 8 VAL N N 8 119.070 123.109 -4.039 1 1 20 . 16 1 1 A 8 8 VAL H H 8 8.006 8.721 -0.715 1 1 21 . 16 1 1 A 8 8 VAL CA C 8 62.332 61.228 1.104 1 1 22 . 16 1 1 A 8 8 VAL HA H 8 4.180 4.447 -0.267 1 1 23 . 16 1 1 A 8 8 VAL CB C 8 32.819 31.856 0.963 1 1 33 . 16 1 1 A 8 8 VAL C C 8 176.359 175.453 0.906 1 1 34 . 16 1 1 A 9 9 SER N N 9 119.223 123.586 -4.363 1 1 35 . 16 1 1 A 9 9 SER H H 9 8.418 8.861 -0.443 1 1 36 . 16 1 1 A 9 9 SER CA C 9 58.392 58.870 -0.478 1 1 37 . 16 1 1 A 9 9 SER HA H 9 4.469 4.404 0.065 1 1 38 . 16 1 1 A 9 9 SER CB C 9 63.948 63.682 0.266 1 1 40 . 16 1 1 A 9 9 SER C C 9 174.256 173.996 0.260 1 1 42 . 16 1 1 A 10 10 ASP N N 10 122.453 125.042 -2.589 1 1 43 . 16 1 1 A 10 10 ASP H H 10 8.311 9.008 -0.697 1 1 44 . 16 1 1 A 10 10 ASP CA C 10 54.450 55.543 -1.093 1 1 45 . 16 1 1 A 10 10 ASP HA H 10 4.592 4.820 -0.228 1 1 46 . 16 1 1 A 10 10 ASP CB C 10 41.174 43.749 -2.575 1 1 48 . 16 1 1 A 10 10 ASP C C 10 176.480 176.601 -0.121 1 1 50 . 16 1 1 A 11 11 MET N N 11 120.428 115.742 4.686 1 1 51 . 16 1 1 A 11 11 MET H H 11 8.340 7.819 0.521 1 1 52 . 16 1 1 A 11 11 MET CA C 11 55.757 54.609 1.148 1 1 53 . 16 1 1 A 11 11 MET HA H 11 4.418 4.732 -0.314 1 1 54 . 16 1 1 A 11 11 MET CB C 11 32.457 32.816 -0.359 1 1 62 . 16 1 1 A 11 11 MET C C 11 176.391 175.491 0.900 1 1 65 . 16 1 1 A 12 12 ASN N N 12 118.914 120.036 -1.122 1 1 66 . 16 1 1 A 12 12 ASN H H 12 8.416 7.546 0.870 1 1 67 . 16 1 1 A 12 12 ASN CA C 12 53.687 54.334 -0.647 1 1 68 . 16 1 1 A 12 12 ASN HA H 12 4.660 4.534 0.126 1 1 69 . 16 1 1 A 12 12 ASN CB C 12 38.924 39.197 -0.273 1 1 74 . 16 1 1 A 12 12 ASN C C 12 175.770 174.737 1.033 1 1 76 . 16 1 1 A 13 13 GLY N N 13 108.888 111.684 -2.796 1 1 77 . 16 1 1 A 13 13 GLY H H 13 8.317 8.347 -0.030 1 1 78 . 16 1 1 A 13 13 GLY CA C 13 45.658 45.965 -0.307 1 1 79 . 16 1 1 A 13 13 GLY HA3 H 13 3.920 4.172 -0.252 1 1 80 . 16 1 1 A 13 13 GLY C C 13 174.275 172.375 1.900 1 1 81 . 16 1 1 A 13 13 GLY HA2 H 13 3.920 4.170 -0.250 1 1 82 . 16 1 1 A 14 14 LEU N N 14 120.990 121.604 -0.614 1 1 83 . 16 1 1 A 14 14 LEU H H 14 8.015 8.521 -0.506 1 1 84 . 16 1 1 A 14 14 LEU CA C 14 55.074 52.940 2.134 1 1 85 . 16 1 1 A 14 14 LEU HA H 14 4.283 4.948 -0.665 1 1 86 . 16 1 1 A 14 14 LEU CB C 14 42.572 44.245 -1.673 1 1 98 . 16 1 1 A 14 14 LEU C C 14 177.365 175.613 1.752 1 1 100 . 16 1 1 A 15 15 GLY N N 15 107.853 107.795 0.058 1 1 101 . 16 1 1 A 15 15 GLY H H 15 8.198 8.112 0.086 1 1 102 . 16 1 1 A 15 15 GLY CA C 15 44.968 45.077 -0.109 1 1 103 . 16 1 1 A 15 15 GLY HA3 H 15 3.823 4.064 -0.241 1 1 104 . 16 1 1 A 15 15 GLY C C 15 173.829 172.592 1.237 1 1 105 . 16 1 1 A 15 15 GLY HA2 H 15 3.783 3.962 -0.179 1 1 106 . 16 1 1 A 16 16 PHE N N 16 118.501 123.327 -4.826 1 1 107 . 16 1 1 A 16 16 PHE H H 16 7.868 8.161 -0.293 1 1 108 . 16 1 1 A 16 16 PHE CA C 16 57.837 59.024 -1.187 1 1 109 . 16 1 1 A 16 16 PHE HA H 16 4.442 4.254 0.188 1 1 110 . 16 1 1 A 16 16 PHE CB C 16 40.278 39.578 0.700 1 1 122 . 16 1 1 A 16 16 PHE C C 16 176.569 175.729 0.840 1 1 124 . 16 1 1 A 17 17 LYS N N 17 126.087 124.127 1.960 1 1 125 . 16 1 1 A 17 17 LYS H H 17 8.611 8.304 0.307 1 1 126 . 16 1 1 A 17 17 LYS CA C 17 54.271 54.581 -0.310 1 1 127 . 16 1 1 A 17 17 LYS HA H 17 4.573 4.294 0.279 1 1 128 . 16 1 1 A 17 17 LYS CB C 17 32.818 33.072 -0.254 1 1 136 . 16 1 1 A 17 17 LYS C C 17 174.147 175.247 -1.100 1 1 141 . 16 1 1 A 18 18 PRO CA C 18 62.850 62.456 0.394 1 1 142 . 16 1 1 A 18 18 PRO HA H 18 4.647 4.712 -0.065 1 1 143 . 16 1 1 A 18 18 PRO CB C 18 31.990 32.893 -0.903 1 1 149 . 16 1 1 A 18 18 PRO C C 18 176.220 175.592 0.628 1 1 153 . 16 1 1 A 19 19 PHE N N 19 123.581 123.818 -0.237 1 1 154 . 16 1 1 A 19 19 PHE H H 19 8.905 8.597 0.308 1 1 155 . 16 1 1 A 19 19 PHE CA C 19 57.402 56.435 0.967 1 1 156 . 16 1 1 A 19 19 PHE HA H 19 4.502 4.990 -0.488 1 1 157 . 16 1 1 A 19 19 PHE CB C 19 41.432 40.923 0.509 1 1 169 . 16 1 1 A 19 19 PHE C C 19 173.078 173.371 -0.293 1 1 171 . 16 1 1 A 20 20 ASP N N 20 126.229 125.546 0.683 1 1 172 . 16 1 1 A 20 20 ASP H H 20 7.412 8.910 -1.498 1 1 173 . 16 1 1 A 20 20 ASP CA C 20 52.686 52.410 0.276 1 1 174 . 16 1 1 A 20 20 ASP HA H 20 5.248 5.112 0.136 1 1 175 . 16 1 1 A 20 20 ASP CB C 20 44.081 42.443 1.638 1 1 177 . 16 1 1 A 20 20 ASP C C 20 174.098 174.359 -0.261 1 1 179 . 16 1 1 A 21 21 LEU N N 21 123.421 122.010 1.411 1 1 180 . 16 1 1 A 21 21 LEU H H 21 8.641 8.230 0.411 1 1 181 . 16 1 1 A 21 21 LEU CA C 21 54.201 53.556 0.645 1 1 182 . 16 1 1 A 21 21 LEU HA H 21 4.367 4.795 -0.428 1 1 183 . 16 1 1 A 21 21 LEU CB C 21 46.118 46.307 -0.189 1 1 195 . 16 1 1 A 21 21 LEU C C 21 174.294 173.885 0.409 1 1 197 . 16 1 1 A 22 22 VAL N N 22 127.339 122.311 5.028 1 1 198 . 16 1 1 A 22 22 VAL H H 22 8.451 8.978 -0.527 1 1 199 . 16 1 1 A 22 22 VAL CA C 22 61.986 60.090 1.896 1 1 200 . 16 1 1 A 22 22 VAL HA H 22 4.572 4.863 -0.291 1 1 201 . 16 1 1 A 22 22 VAL CB C 22 32.276 34.510 -2.234 1 1 211 . 16 1 1 A 22 22 VAL C C 22 176.066 175.084 0.982 1 1 212 . 16 1 1 A 23 23 ILE N N 23 128.645 129.746 -1.101 1 1 213 . 16 1 1 A 23 23 ILE H H 23 8.998 8.424 0.574 1 1 214 . 16 1 1 A 23 23 ILE CA C 23 57.193 60.583 -3.390 1 1 215 . 16 1 1 A 23 23 ILE HA H 23 4.489 4.078 0.411 1 1 216 . 16 1 1 A 23 23 ILE CB C 23 38.455 37.739 0.716 1 1 228 . 16 1 1 A 23 23 ILE C C 23 175.434 176.647 -1.213 1 1 230 . 16 1 1 A 24 24 PRO CA C 24 63.319 65.383 -2.064 1 1 231 . 16 1 1 A 24 24 PRO HA H 24 4.600 4.402 0.198 1 1 232 . 16 1 1 A 24 24 PRO CB C 24 30.324 32.070 -1.746 1 1 238 . 16 1 1 A 24 24 PRO C C 24 174.946 176.592 -1.646 1 1 242 . 16 1 1 A 25 25 PHE N N 25 121.530 114.445 7.085 1 1 243 . 16 1 1 A 25 25 PHE H H 25 7.582 7.837 -0.255 1 1 244 . 16 1 1 A 25 25 PHE CA C 25 56.635 55.851 0.784 1 1 245 . 16 1 1 A 25 25 PHE HA H 25 4.552 4.625 -0.073 1 1 246 . 16 1 1 A 25 25 PHE CB C 25 40.977 41.161 -0.184 1 1 258 . 16 1 1 A 25 25 PHE C C 25 172.831 174.838 -2.007 1 1 260 . 16 1 1 A 26 26 ALA N N 26 124.526 122.162 2.364 1 1 261 . 16 1 1 A 26 26 ALA H H 26 7.993 8.569 -0.576 1 1 262 . 16 1 1 A 26 26 ALA CA C 26 52.074 50.166 1.908 1 1 263 . 16 1 1 A 26 26 ALA HA H 26 4.221 4.874 -0.653 1 1 264 . 16 1 1 A 26 26 ALA CB C 26 18.862 21.240 -2.378 1 1 268 . 16 1 1 A 26 26 ALA C C 26 176.973 175.870 1.103 1 1 269 . 16 1 1 A 27 27 VAL N N 27 118.422 118.676 -0.254 1 1 270 . 16 1 1 A 27 27 VAL H H 27 8.046 8.294 -0.248 1 1 271 . 16 1 1 A 27 27 VAL CA C 27 61.375 59.285 2.090 1 1 272 . 16 1 1 A 27 27 VAL HA H 27 4.248 4.526 -0.278 1 1 273 . 16 1 1 A 27 27 VAL CB C 27 34.179 35.302 -1.123 1 1 283 . 16 1 1 A 27 27 VAL C C 27 175.445 173.379 2.066 1 1 284 . 16 1 1 A 28 28 ARG N N 28 122.785 125.376 -2.591 1 1 285 . 16 1 1 A 28 28 ARG H H 28 8.275 8.278 -0.003 1 1 286 . 16 1 1 A 28 28 ARG CA C 28 55.407 54.338 1.069 1 1 287 . 16 1 1 A 28 28 ARG HA H 28 4.473 4.790 -0.317 1 1 288 . 16 1 1 A 28 28 ARG CB C 28 31.087 32.426 -1.339 1 1 294 . 16 1 1 A 28 28 ARG C C 28 176.528 174.822 1.706 1 1 298 . 16 1 1 A 29 29 LYS N N 29 121.704 124.823 -3.119 1 1 299 . 16 1 1 A 29 29 LYS H H 29 8.484 8.528 -0.044 1 1 300 . 16 1 1 A 29 29 LYS CA C 29 57.888 55.662 2.226 1 1 301 . 16 1 1 A 29 29 LYS HA H 29 4.170 4.459 -0.289 1 1 302 . 16 1 1 A 29 29 LYS CB C 29 32.564 31.379 1.185 1 1 310 . 16 1 1 A 29 29 LYS C C 29 177.124 176.059 1.065 1 1 315 . 16 1 1 A 30 30 GLY N N 30 109.946 113.443 -3.497 1 1 316 . 16 1 1 A 30 30 GLY H H 30 8.546 8.054 0.492 1 1 317 . 16 1 1 A 30 30 GLY CA C 30 45.408 46.089 -0.681 1 1 318 . 16 1 1 A 30 30 GLY HA3 H 30 4.060 4.126 -0.066 1 1 319 . 16 1 1 A 30 30 GLY C C 30 173.961 174.665 -0.704 1 1 320 . 16 1 1 A 30 30 GLY HA2 H 30 3.981 4.104 -0.123 1 1 321 . 16 1 1 A 31 31 GLU N N 31 118.290 122.014 -3.724 1 1 322 . 16 1 1 A 31 31 GLU H H 31 8.088 8.571 -0.483 1 1 323 . 16 1 1 A 31 31 GLU CA C 31 56.979 56.387 0.592 1 1 324 . 16 1 1 A 31 31 GLU HA H 31 4.418 4.444 -0.026 1 1 325 . 16 1 1 A 31 31 GLU CB C 31 31.108 30.042 1.066 1 1 329 . 16 1 1 A 31 31 GLU C C 31 176.184 175.214 0.970 1 1 332 . 16 1 1 A 32 32 ILE N N 32 121.780 122.186 -0.406 1 1 333 . 16 1 1 A 32 32 ILE H H 32 8.155 7.477 0.678 1 1 334 . 16 1 1 A 32 32 ILE CA C 32 58.252 59.359 -1.107 1 1 335 . 16 1 1 A 32 32 ILE HA H 32 5.409 5.062 0.347 1 1 336 . 16 1 1 A 32 32 ILE CB C 32 39.008 41.480 -2.472 1 1 348 . 16 1 1 A 32 32 ILE C C 32 175.262 174.436 0.826 1 1 350 . 16 1 1 A 33 33 THR N N 33 117.063 115.580 1.483 1 1 351 . 16 1 1 A 33 33 THR H H 33 8.906 8.577 0.329 1 1 352 . 16 1 1 A 33 33 THR CA C 33 59.591 60.168 -0.577 1 1 353 . 16 1 1 A 33 33 THR HA H 33 4.707 5.131 -0.424 1 1 354 . 16 1 1 A 33 33 THR CB C 33 72.003 72.411 -0.408 1 1 360 . 16 1 1 A 33 33 THR C C 33 173.146 172.859 0.287 1 1 361 . 16 1 1 A 34 34 GLY N N 34 106.583 108.157 -1.574 1 1 362 . 16 1 1 A 34 34 GLY H H 34 8.603 8.450 0.153 1 1 363 . 16 1 1 A 34 34 GLY CA C 34 45.032 45.409 -0.377 1 1 364 . 16 1 1 A 34 34 GLY HA3 H 34 3.424 4.403 -0.979 1 1 365 . 16 1 1 A 34 34 GLY C C 34 172.260 172.176 0.084 1 1 366 . 16 1 1 A 34 34 GLY HA2 H 34 5.351 4.394 0.957 1 1 367 . 16 1 1 A 35 35 GLU N N 35 118.818 119.843 -1.025 1 1 368 . 16 1 1 A 35 35 GLU H H 35 8.756 8.732 0.024 1 1 369 . 16 1 1 A 35 35 GLU CA C 35 56.375 55.242 1.133 1 1 370 . 16 1 1 A 35 35 GLU HA H 35 4.739 5.102 -0.363 1 1 371 . 16 1 1 A 35 35 GLU CB C 35 34.673 33.930 0.743 1 1 375 . 16 1 1 A 35 35 GLU C C 35 173.645 174.548 -0.903 1 1 378 . 16 1 1 A 36 36 VAL N N 36 124.835 124.087 0.748 1 1 379 . 16 1 1 A 36 36 VAL H H 36 9.291 8.814 0.477 1 1 380 . 16 1 1 A 36 36 VAL CA C 36 60.780 61.644 -0.864 1 1 381 . 16 1 1 A 36 36 VAL HA H 36 4.751 4.818 -0.067 1 1 382 . 16 1 1 A 36 36 VAL CB C 36 33.990 34.331 -0.341 1 1 392 . 16 1 1 A 36 36 VAL C C 36 174.137 174.662 -0.525 1 1 393 . 16 1 1 A 37 37 HIS N N 37 126.324 125.670 0.654 1 1 394 . 16 1 1 A 37 37 HIS H H 37 9.294 9.187 0.107 1 1 395 . 16 1 1 A 37 37 HIS CA C 37 54.625 55.408 -0.783 1 1 396 . 16 1 1 A 37 37 HIS HA H 37 4.751 4.993 -0.242 1 1 397 . 16 1 1 A 37 37 HIS CB C 37 30.676 30.751 -0.075 1 1 403 . 16 1 1 A 37 37 HIS C C 37 174.317 174.642 -0.325 1 1 405 . 16 1 1 A 38 38 MET N N 38 122.552 123.918 -1.366 1 1 406 . 16 1 1 A 38 38 MET H H 38 8.303 8.902 -0.599 1 1 407 . 16 1 1 A 38 38 MET CA C 38 54.086 54.906 -0.820 1 1 408 . 16 1 1 A 38 38 MET HA H 38 4.089 4.468 -0.379 1 1 409 . 16 1 1 A 38 38 MET CB C 38 32.900 32.243 0.657 1 1 417 . 16 1 1 A 38 38 MET C C 38 174.851 176.000 -1.149 1 1 420 . 16 1 1 A 39 39 PRO CA C 39 65.874 64.197 1.677 1 1 421 . 16 1 1 A 39 39 PRO HA H 39 4.156 4.387 -0.231 1 1 422 . 16 1 1 A 39 39 PRO CB C 39 31.312 31.574 -0.262 1 1 428 . 16 1 1 A 39 39 PRO C C 39 178.047 177.656 0.391 1 1 432 . 16 1 1 A 40 40 SER N N 40 111.214 111.592 -0.378 1 1 433 . 16 1 1 A 40 40 SER H H 40 8.759 7.686 1.073 1 1 434 . 16 1 1 A 40 40 SER CA C 40 59.667 58.410 1.257 1 1 435 . 16 1 1 A 40 40 SER HA H 40 4.089 4.460 -0.371 1 1 436 . 16 1 1 A 40 40 SER CB C 40 62.726 63.654 -0.928 1 1 438 . 16 1 1 A 40 40 SER C C 40 176.300 174.594 1.706 1 1 440 . 16 1 1 A 41 41 GLY N N 41 111.180 109.095 2.085 1 1 441 . 16 1 1 A 41 41 GLY H H 41 8.293 7.819 0.474 1 1 442 . 16 1 1 A 41 41 GLY CA C 41 44.624 45.083 -0.459 1 1 443 . 16 1 1 A 41 41 GLY HA3 H 41 3.620 4.026 -0.406 1 1 444 . 16 1 1 A 41 41 GLY C C 41 174.516 173.891 0.625 1 1 445 . 16 1 1 A 41 41 GLY HA2 H 41 4.447 4.025 0.422 1 1 446 . 16 1 1 A 42 42 LYS N N 42 120.452 119.476 0.976 1 1 447 . 16 1 1 A 42 42 LYS H H 42 7.038 7.832 -0.794 1 1 448 . 16 1 1 A 42 42 LYS CA C 42 56.944 54.436 2.508 1 1 449 . 16 1 1 A 42 42 LYS HA H 42 4.286 4.723 -0.437 1 1 450 . 16 1 1 A 42 42 LYS CB C 42 33.719 35.484 -1.765 1 1 457 . 16 1 1 A 42 42 LYS C C 42 175.050 175.001 0.049 1 1 462 . 16 1 1 A 43 43 THR N N 43 111.705 111.579 0.126 1 1 463 . 16 1 1 A 43 43 THR H H 43 8.110 8.674 -0.564 1 1 464 . 16 1 1 A 43 43 THR CA C 43 59.653 60.032 -0.379 1 1 465 . 16 1 1 A 43 43 THR HA H 43 5.450 5.498 -0.048 1 1 466 . 16 1 1 A 43 43 THR CB C 43 71.842 72.766 -0.924 1 1 472 . 16 1 1 A 43 43 THR C C 43 174.054 172.995 1.059 1 1 473 . 16 1 1 A 44 44 ALA N N 44 123.338 122.017 1.321 1 1 474 . 16 1 1 A 44 44 ALA H H 44 8.683 8.382 0.301 1 1 475 . 16 1 1 A 44 44 ALA CA C 44 50.752 51.366 -0.614 1 1 476 . 16 1 1 A 44 44 ALA HA H 44 4.798 4.800 -0.002 1 1 477 . 16 1 1 A 44 44 ALA CB C 44 24.091 22.916 1.175 1 1 481 . 16 1 1 A 44 44 ALA C C 44 175.947 175.653 0.294 1 1 482 . 16 1 1 A 45 45 THR N N 45 117.733 110.586 7.147 1 1 483 . 16 1 1 A 45 45 THR H H 45 8.934 8.495 0.439 1 1 484 . 16 1 1 A 45 45 THR CA C 45 59.517 58.490 1.027 1 1 485 . 16 1 1 A 45 45 THR HA H 45 4.894 4.868 0.026 1 1 486 . 16 1 1 A 45 45 THR CB C 45 70.403 70.003 0.400 1 1 492 . 16 1 1 A 45 45 THR C C 45 173.394 173.287 0.107 1 1 493 . 16 1 1 A 46 46 PRO CA C 46 62.017 62.157 -0.140 1 1 494 . 16 1 1 A 46 46 PRO HA H 46 4.978 4.632 0.346 1 1 495 . 16 1 1 A 46 46 PRO CB C 46 32.885 32.737 0.148 1 1 501 . 16 1 1 A 46 46 PRO C C 46 173.937 175.933 -1.996 1 1 505 . 16 1 1 A 47 47 GLU N N 47 120.450 120.781 -0.331 1 1 506 . 16 1 1 A 47 47 GLU H H 47 8.894 8.324 0.570 1 1 507 . 16 1 1 A 47 47 GLU CA C 47 56.040 55.892 0.148 1 1 508 . 16 1 1 A 47 47 GLU HA H 47 4.409 4.703 -0.294 1 1 509 . 16 1 1 A 47 47 GLU CB C 47 31.436 31.048 0.388 1 1 513 . 16 1 1 A 47 47 GLU C C 47 175.160 175.136 0.024 1 1 516 . 16 1 1 A 48 48 ILE N N 48 124.818 126.996 -2.178 1 1 517 . 16 1 1 A 48 48 ILE H H 48 8.467 8.742 -0.275 1 1 518 . 16 1 1 A 48 48 ILE CA C 48 60.408 60.974 -0.566 1 1 519 . 16 1 1 A 48 48 ILE HA H 48 4.727 4.592 0.135 1 1 520 . 16 1 1 A 48 48 ILE CB C 48 38.177 39.491 -1.314 1 1 532 . 16 1 1 A 48 48 ILE C C 48 175.681 174.818 0.863 1 1 534 . 16 1 1 A 49 49 VAL N N 49 129.411 126.970 2.441 1 1 535 . 16 1 1 A 49 49 VAL H H 49 9.417 8.793 0.624 1 1 536 . 16 1 1 A 49 49 VAL CA C 49 61.259 60.510 0.749 1 1 537 . 16 1 1 A 49 49 VAL HA H 49 4.188 4.671 -0.483 1 1 538 . 16 1 1 A 49 49 VAL CB C 49 34.719 35.830 -1.111 1 1 548 . 16 1 1 A 49 49 VAL C C 49 174.654 174.044 0.610 1 1 549 . 16 1 1 A 50 50 ASP N N 50 125.078 127.870 -2.792 1 1 550 . 16 1 1 A 50 50 ASP H H 50 8.664 8.859 -0.195 1 1 551 . 16 1 1 A 50 50 ASP CA C 50 53.899 52.626 1.273 1 1 552 . 16 1 1 A 50 50 ASP HA H 50 4.683 5.220 -0.537 1 1 553 . 16 1 1 A 50 50 ASP CB C 50 41.270 41.416 -0.146 1 1 555 . 16 1 1 A 50 50 ASP C C 50 176.440 175.642 0.798 1 1 557 . 16 1 1 A 51 51 ASN N N 51 123.926 125.400 -1.474 1 1 558 . 16 1 1 A 51 51 ASN H H 51 8.212 8.833 -0.621 1 1 559 . 16 1 1 A 51 51 ASN CA C 51 53.917 53.758 0.159 1 1 560 . 16 1 1 A 51 51 ASN HA H 51 4.703 4.595 0.108 1 1 561 . 16 1 1 A 51 51 ASN CB C 51 38.667 39.525 -0.858 1 1 566 . 16 1 1 A 51 51 ASN C C 51 176.260 175.925 0.335 1 1 568 . 16 1 1 A 52 52 LYS N N 52 115.640 121.960 -6.320 1 1 569 . 16 1 1 A 52 52 LYS H H 52 9.145 8.887 0.258 1 1 570 . 16 1 1 A 52 52 LYS CA C 52 58.127 57.756 0.371 1 1 571 . 16 1 1 A 52 52 LYS HA H 52 4.040 4.342 -0.302 1 1 572 . 16 1 1 A 52 52 LYS CB C 52 29.405 31.857 -2.452 1 1 580 . 16 1 1 A 52 52 LYS C C 52 175.471 176.555 -1.084 1 1 585 . 16 1 1 A 53 53 ASP N N 53 117.607 116.598 1.009 1 1 586 . 16 1 1 A 53 53 ASP H H 53 7.824 7.833 -0.009 1 1 587 . 16 1 1 A 53 53 ASP CA C 53 52.598 54.273 -1.675 1 1 588 . 16 1 1 A 53 53 ASP HA H 53 4.690 4.709 -0.019 1 1 589 . 16 1 1 A 53 53 ASP CB C 53 40.929 42.682 -1.753 1 1 591 . 16 1 1 A 53 53 ASP C C 53 177.173 176.049 1.124 1 1 593 . 16 1 1 A 54 54 GLY N N 54 108.692 105.872 2.820 1 1 594 . 16 1 1 A 54 54 GLY H H 54 8.548 8.002 0.546 1 1 595 . 16 1 1 A 54 54 GLY CA C 54 45.161 45.058 0.103 1 1 596 . 16 1 1 A 54 54 GLY HA3 H 54 3.653 4.018 -0.365 1 1 597 . 16 1 1 A 54 54 GLY C C 54 173.737 173.588 0.149 1 1 598 . 16 1 1 A 54 54 GLY HA2 H 54 4.372 4.012 0.360 1 1 599 . 16 1 1 A 55 55 THR N N 55 110.165 109.943 0.222 1 1 600 . 16 1 1 A 55 55 THR H H 55 7.929 7.519 0.410 1 1 601 . 16 1 1 A 55 55 THR CA C 55 60.412 59.324 1.088 1 1 602 . 16 1 1 A 55 55 THR HA H 55 5.100 4.829 0.271 1 1 603 . 16 1 1 A 55 55 THR CB C 55 73.027 72.490 0.537 1 1 609 . 16 1 1 A 55 55 THR C C 55 174.206 173.028 1.178 1 1 610 . 16 1 1 A 56 56 VAL N N 56 115.822 121.158 -5.336 1 1 611 . 16 1 1 A 56 56 VAL H H 56 8.581 8.526 0.055 1 1 612 . 16 1 1 A 56 56 VAL CA C 56 59.608 60.694 -1.086 1 1 613 . 16 1 1 A 56 56 VAL HA H 56 5.132 5.096 0.036 1 1 614 . 16 1 1 A 56 56 VAL CB C 56 35.607 34.222 1.385 1 1 624 . 16 1 1 A 56 56 VAL C C 56 174.437 175.048 -0.611 1 1 625 . 16 1 1 A 57 57 THR N N 57 120.574 121.526 -0.952 1 1 626 . 16 1 1 A 57 57 THR H H 57 9.151 8.457 0.694 1 1 627 . 16 1 1 A 57 57 THR CA C 57 61.543 61.822 -0.279 1 1 628 . 16 1 1 A 57 57 THR HA H 57 5.021 4.987 0.034 1 1 629 . 16 1 1 A 57 57 THR CB C 57 71.080 70.151 0.929 1 1 635 . 16 1 1 A 57 57 THR C C 57 173.190 173.222 -0.032 1 1 636 . 16 1 1 A 58 58 VAL N N 58 127.832 128.386 -0.554 1 1 637 . 16 1 1 A 58 58 VAL H H 58 9.296 9.349 -0.053 1 1 638 . 16 1 1 A 58 58 VAL CA C 58 61.204 61.294 -0.090 1 1 639 . 16 1 1 A 58 58 VAL HA H 58 4.774 4.823 -0.049 1 1 640 . 16 1 1 A 58 58 VAL CB C 58 32.626 32.251 0.375 1 1 650 . 16 1 1 A 58 58 VAL C C 58 173.991 174.896 -0.905 1 1 651 . 16 1 1 A 59 59 ARG N N 59 126.761 124.886 1.875 1 1 652 . 16 1 1 A 59 59 ARG H H 59 9.190 8.822 0.368 1 1 653 . 16 1 1 A 59 59 ARG CA C 59 54.384 54.145 0.239 1 1 654 . 16 1 1 A 59 59 ARG HA H 59 5.488 5.138 0.350 1 1 655 . 16 1 1 A 59 59 ARG CB C 59 34.262 33.827 0.435 1 1 661 . 16 1 1 A 59 59 ARG C C 59 174.849 173.973 0.876 1 1 665 . 16 1 1 A 60 60 TYR N N 60 123.838 122.603 1.235 1 1 666 . 16 1 1 A 60 60 TYR H H 60 9.164 8.492 0.672 1 1 667 . 16 1 1 A 60 60 TYR CA C 60 56.684 57.281 -0.597 1 1 668 . 16 1 1 A 60 60 TYR HA H 60 5.024 5.141 -0.117 1 1 669 . 16 1 1 A 60 60 TYR CB C 60 42.761 42.072 0.689 1 1 675 . 16 1 1 A 60 60 TYR C C 60 171.861 173.639 -1.778 1 1 677 . 16 1 1 A 61 61 ALA N N 61 134.382 129.569 4.813 1 1 678 . 16 1 1 A 61 61 ALA H H 61 8.023 8.645 -0.622 1 1 679 . 16 1 1 A 61 61 ALA CA C 61 47.869 48.712 -0.843 1 1 680 . 16 1 1 A 61 61 ALA HA H 61 4.670 4.447 0.223 1 1 681 . 16 1 1 A 61 61 ALA CB C 61 18.685 19.573 -0.888 1 1 685 . 16 1 1 A 61 61 ALA C C 61 172.714 175.620 -2.906 1 1 686 . 16 1 1 A 62 62 PRO CA C 62 62.455 62.380 0.075 1 1 687 . 16 1 1 A 62 62 PRO HA H 62 4.137 4.119 0.018 1 1 688 . 16 1 1 A 62 62 PRO CB C 62 33.972 31.637 2.335 1 1 694 . 16 1 1 A 62 62 PRO C C 62 175.567 176.539 -0.972 1 1 698 . 16 1 1 A 63 63 THR N N 63 106.145 113.813 -7.668 1 1 699 . 16 1 1 A 63 63 THR H H 63 8.819 8.642 0.177 1 1 700 . 16 1 1 A 63 63 THR CA C 63 60.795 62.770 -1.975 1 1 701 . 16 1 1 A 63 63 THR HA H 63 4.278 4.399 -0.121 1 1 702 . 16 1 1 A 63 63 THR CB C 63 70.379 69.459 0.920 1 1 708 . 16 1 1 A 63 63 THR C C 63 173.771 174.250 -0.479 1 1 709 . 16 1 1 A 64 64 GLU N N 64 119.851 118.983 0.868 1 1 710 . 16 1 1 A 64 64 GLU H H 64 7.217 7.663 -0.446 1 1 711 . 16 1 1 A 64 64 GLU CA C 64 54.483 54.910 -0.427 1 1 712 . 16 1 1 A 64 64 GLU HA H 64 4.560 4.620 -0.060 1 1 713 . 16 1 1 A 64 64 GLU CB C 64 33.675 33.154 0.521 1 1 717 . 16 1 1 A 64 64 GLU C C 64 173.177 175.313 -2.136 1 1 720 . 16 1 1 A 65 65 VAL N N 65 114.914 119.512 -4.598 1 1 721 . 16 1 1 A 65 65 VAL H H 65 7.740 8.368 -0.628 1 1 722 . 16 1 1 A 65 65 VAL CA C 65 61.412 61.206 0.206 1 1 723 . 16 1 1 A 65 65 VAL HA H 65 3.730 4.357 -0.627 1 1 724 . 16 1 1 A 65 65 VAL CB C 65 33.477 33.259 0.218 1 1 734 . 16 1 1 A 65 65 VAL C C 65 176.588 175.111 1.477 1 1 735 . 16 1 1 A 66 66 GLY N N 66 108.948 108.485 0.463 1 1 736 . 16 1 1 A 66 66 GLY H H 66 8.821 7.515 1.306 1 1 737 . 16 1 1 A 66 66 GLY CA C 66 43.304 43.984 -0.680 1 1 738 . 16 1 1 A 66 66 GLY HA3 H 66 4.468 3.986 0.482 1 1 739 . 16 1 1 A 66 66 GLY C C 66 175.811 171.742 4.069 1 1 740 . 16 1 1 A 66 66 GLY HA2 H 66 3.184 3.937 -0.753 1 1 741 . 16 1 1 A 67 67 LEU N N 67 126.594 122.546 4.048 1 1 742 . 16 1 1 A 67 67 LEU H H 67 9.023 8.329 0.694 1 1 743 . 16 1 1 A 67 67 LEU CA C 67 56.432 53.326 3.106 1 1 744 . 16 1 1 A 67 67 LEU HA H 67 4.137 4.959 -0.822 1 1 745 . 16 1 1 A 67 67 LEU CB C 67 41.933 44.477 -2.544 1 1 757 . 16 1 1 A 67 67 LEU C C 67 174.817 174.492 0.325 1 1 759 . 16 1 1 A 68 68 HIS N N 68 127.130 125.867 1.263 1 1 760 . 16 1 1 A 68 68 HIS H H 68 9.165 8.503 0.662 1 1 761 . 16 1 1 A 68 68 HIS CA C 68 54.518 54.217 0.301 1 1 762 . 16 1 1 A 68 68 HIS HA H 68 4.562 5.145 -0.583 1 1 763 . 16 1 1 A 68 68 HIS CB C 68 32.159 31.997 0.162 1 1 769 . 16 1 1 A 68 68 HIS C C 68 173.717 173.431 0.286 1 1 771 . 16 1 1 A 69 69 GLU N N 69 116.428 124.022 -7.594 1 1 772 . 16 1 1 A 69 69 GLU H H 69 8.096 8.655 -0.559 1 1 773 . 16 1 1 A 69 69 GLU CA C 69 54.625 54.865 -0.240 1 1 774 . 16 1 1 A 69 69 GLU HA H 69 5.274 5.382 -0.108 1 1 775 . 16 1 1 A 69 69 GLU CB C 69 34.361 32.878 1.483 1 1 779 . 16 1 1 A 69 69 GLU C C 69 174.811 175.124 -0.313 1 1 782 . 16 1 1 A 70 70 MET N N 70 126.104 127.821 -1.717 1 1 783 . 16 1 1 A 70 70 MET H H 70 9.874 9.240 0.634 1 1 784 . 16 1 1 A 70 70 MET CA C 70 54.399 54.366 0.033 1 1 785 . 16 1 1 A 70 70 MET HA H 70 5.272 5.452 -0.180 1 1 786 . 16 1 1 A 70 70 MET CB C 70 36.158 34.936 1.222 1 1 794 . 16 1 1 A 70 70 MET C C 70 173.699 175.395 -1.696 1 1 797 . 16 1 1 A 71 71 HIS N N 71 129.007 123.112 5.895 1 1 798 . 16 1 1 A 71 71 HIS H H 71 9.533 9.624 -0.091 1 1 799 . 16 1 1 A 71 71 HIS CA C 71 54.201 54.494 -0.293 1 1 800 . 16 1 1 A 71 71 HIS HA H 71 5.273 5.181 0.092 1 1 801 . 16 1 1 A 71 71 HIS CB C 71 33.546 31.792 1.754 1 1 807 . 16 1 1 A 71 71 HIS C C 71 174.997 174.039 0.958 1 1 809 . 16 1 1 A 72 72 ILE N N 72 126.123 124.301 1.822 1 1 810 . 16 1 1 A 72 72 ILE H H 72 9.842 9.039 0.803 1 1 811 . 16 1 1 A 72 72 ILE CA C 72 60.037 59.982 0.055 1 1 812 . 16 1 1 A 72 72 ILE HA H 72 4.885 4.870 0.015 1 1 813 . 16 1 1 A 72 72 ILE CB C 72 40.102 40.637 -0.535 1 1 825 . 16 1 1 A 72 72 ILE C C 72 173.955 175.428 -1.473 1 1 827 . 16 1 1 A 73 73 LYS N N 73 124.414 125.964 -1.550 1 1 828 . 16 1 1 A 73 73 LYS H H 73 8.854 8.802 0.052 1 1 829 . 16 1 1 A 73 73 LYS CA C 73 54.200 54.893 -0.693 1 1 830 . 16 1 1 A 73 73 LYS HA H 73 4.964 5.018 -0.054 1 1 831 . 16 1 1 A 73 73 LYS CB C 73 36.335 35.357 0.978 1 1 839 . 16 1 1 A 73 73 LYS C C 73 174.360 174.383 -0.023 1 1 844 . 16 1 1 A 74 74 TYR N N 74 121.190 126.292 -5.102 1 1 845 . 16 1 1 A 74 74 TYR H H 74 8.979 9.061 -0.082 1 1 846 . 16 1 1 A 74 74 TYR CA C 74 55.271 57.526 -2.255 1 1 847 . 16 1 1 A 74 74 TYR HA H 74 5.365 4.876 0.489 1 1 848 . 16 1 1 A 74 74 TYR CB C 74 41.143 40.152 0.991 1 1 858 . 16 1 1 A 74 74 TYR C C 74 175.646 175.023 0.623 1 1 860 . 16 1 1 A 75 75 MET N N 75 125.219 126.840 -1.621 1 1 861 . 16 1 1 A 75 75 MET H H 75 9.096 9.593 -0.497 1 1 862 . 16 1 1 A 75 75 MET CA C 75 56.166 56.616 -0.450 1 1 863 . 16 1 1 A 75 75 MET HA H 75 3.920 4.227 -0.307 1 1 864 . 16 1 1 A 75 75 MET CB C 75 29.423 31.113 -1.690 1 1 872 . 16 1 1 A 75 75 MET C C 75 176.809 176.243 0.566 1 1 875 . 16 1 1 A 76 76 GLY N N 76 102.874 104.553 -1.679 1 1 876 . 16 1 1 A 76 76 GLY H H 76 8.573 8.639 -0.066 1 1 877 . 16 1 1 A 76 76 GLY CA C 76 45.421 46.240 -0.819 1 1 878 . 16 1 1 A 76 76 GLY HA3 H 76 4.221 3.913 0.308 1 1 879 . 16 1 1 A 76 76 GLY C C 76 174.014 173.770 0.244 1 1 880 . 16 1 1 A 76 76 GLY HA2 H 76 3.471 3.892 -0.421 1 1 881 . 16 1 1 A 77 77 SER N N 77 115.868 114.862 1.006 1 1 882 . 16 1 1 A 77 77 SER H H 77 7.609 7.481 0.128 1 1 883 . 16 1 1 A 77 77 SER CA C 77 56.956 57.642 -0.686 1 1 884 . 16 1 1 A 77 77 SER HA H 77 4.935 4.869 0.066 1 1 885 . 16 1 1 A 77 77 SER CB C 77 65.336 66.046 -0.710 1 1 887 . 16 1 1 A 77 77 SER C C 77 173.677 173.038 0.639 1 1 889 . 16 1 1 A 78 78 HIS N N 78 124.606 123.998 0.608 1 1 890 . 16 1 1 A 78 78 HIS H H 78 8.751 8.968 -0.217 1 1 891 . 16 1 1 A 78 78 HIS CA C 78 59.005 57.252 1.753 1 1 892 . 16 1 1 A 78 78 HIS HA H 78 4.617 4.755 -0.138 1 1 893 . 16 1 1 A 78 78 HIS CB C 78 32.066 30.777 1.289 1 1 899 . 16 1 1 A 78 78 HIS C C 78 178.429 175.648 2.781 1 1 901 . 16 1 1 A 79 79 ILE N N 79 117.547 119.318 -1.771 1 1 902 . 16 1 1 A 79 79 ILE H H 79 8.102 8.338 -0.236 1 1 903 . 16 1 1 A 79 79 ILE CA C 79 61.442 58.468 2.974 1 1 904 . 16 1 1 A 79 79 ILE HA H 79 4.737 4.580 0.157 1 1 905 . 16 1 1 A 79 79 ILE CB C 79 35.644 38.276 -2.632 1 1 917 . 16 1 1 A 79 79 ILE C C 79 174.657 176.216 -1.559 1 1 919 . 16 1 1 A 80 80 PRO CA C 80 66.398 64.297 2.101 1 1 920 . 16 1 1 A 80 80 PRO HA H 80 4.296 4.518 -0.222 1 1 921 . 16 1 1 A 80 80 PRO CB C 80 31.380 31.516 -0.136 1 1 927 . 16 1 1 A 80 80 PRO C C 80 177.763 177.556 0.207 1 1 931 . 16 1 1 A 81 81 GLU N N 81 114.279 117.394 -3.115 1 1 932 . 16 1 1 A 81 81 GLU H H 81 8.913 8.359 0.554 1 1 933 . 16 1 1 A 81 81 GLU CA C 81 58.285 57.419 0.866 1 1 934 . 16 1 1 A 81 81 GLU HA H 81 4.043 4.554 -0.511 1 1 935 . 16 1 1 A 81 81 GLU CB C 81 29.010 31.059 -2.049 1 1 939 . 16 1 1 A 81 81 GLU C C 81 174.743 175.727 -0.984 1 1 942 . 16 1 1 A 82 82 SER N N 82 112.700 114.784 -2.084 1 1 943 . 16 1 1 A 82 82 SER H H 82 7.918 7.614 0.304 1 1 944 . 16 1 1 A 82 82 SER CA C 82 54.519 55.773 -1.254 1 1 945 . 16 1 1 A 82 82 SER HA H 82 4.798 4.929 -0.131 1 1 946 . 16 1 1 A 82 82 SER CB C 82 64.077 65.692 -1.615 1 1 948 . 16 1 1 A 82 82 SER C C 82 173.394 171.871 1.523 1 1 950 . 16 1 1 A 83 83 PRO CA C 83 62.597 62.367 0.230 1 1 951 . 16 1 1 A 83 83 PRO HA H 83 5.247 4.612 0.635 1 1 952 . 16 1 1 A 83 83 PRO CB C 83 34.681 32.874 1.807 1 1 958 . 16 1 1 A 83 83 PRO C C 83 175.783 176.067 -0.284 1 1 962 . 16 1 1 A 84 84 LEU N N 84 123.427 116.985 6.442 1 1 963 . 16 1 1 A 84 84 LEU H H 84 9.099 8.139 0.960 1 1 964 . 16 1 1 A 84 84 LEU CA C 84 54.413 52.608 1.805 1 1 965 . 16 1 1 A 84 84 LEU HA H 84 4.893 5.282 -0.389 1 1 966 . 16 1 1 A 84 84 LEU CB C 84 44.452 46.447 -1.995 1 1 978 . 16 1 1 A 84 84 LEU C C 84 176.054 175.761 0.293 1 1 980 . 16 1 1 A 85 85 GLN N N 85 122.438 118.573 3.865 1 1 981 . 16 1 1 A 85 85 GLN H H 85 8.869 8.653 0.216 1 1 982 . 16 1 1 A 85 85 GLN CA C 85 54.811 54.239 0.572 1 1 983 . 16 1 1 A 85 85 GLN HA H 85 5.359 5.480 -0.121 1 1 984 . 16 1 1 A 85 85 GLN CB C 85 30.972 33.015 -2.043 1 1 991 . 16 1 1 A 85 85 GLN C C 85 175.687 174.892 0.795 1 1 994 . 16 1 1 A 86 86 PHE N N 86 118.108 119.093 -0.985 1 1 995 . 16 1 1 A 86 86 PHE H H 86 8.483 8.533 -0.050 1 1 996 . 16 1 1 A 86 86 PHE CA C 86 56.104 55.523 0.581 1 1 997 . 16 1 1 A 86 86 PHE HA H 86 4.917 5.455 -0.538 1 1 998 . 16 1 1 A 86 86 PHE CB C 86 40.732 41.887 -1.155 1 1 1010 . 16 1 1 A 86 86 PHE C C 86 171.607 172.913 -1.306 1 1 1012 . 16 1 1 A 87 87 TYR N N 87 124.521 125.758 -1.237 1 1 1013 . 16 1 1 A 87 87 TYR H H 87 9.179 9.141 0.038 1 1 1014 . 16 1 1 A 87 87 TYR CA C 87 57.832 59.010 -1.178 1 1 1015 . 16 1 1 A 87 87 TYR HA H 87 4.643 5.055 -0.412 1 1 1016 . 16 1 1 A 87 87 TYR CB C 87 40.731 39.695 1.036 1 1 1026 . 16 1 1 A 87 87 TYR C C 87 175.145 174.376 0.769 1 1 1028 . 16 1 1 A 88 88 VAL N N 88 129.828 127.153 2.675 1 1 1029 . 16 1 1 A 88 88 VAL H H 88 7.865 8.287 -0.422 1 1 1030 . 16 1 1 A 88 88 VAL CA C 88 61.875 61.297 0.578 1 1 1031 . 16 1 1 A 88 88 VAL HA H 88 4.219 4.493 -0.274 1 1 1032 . 16 1 1 A 88 88 VAL CB C 88 32.943 32.386 0.557 1 1 1042 . 16 1 1 A 88 88 VAL C C 88 174.472 175.680 -1.208 1 1 1043 . 16 1 1 A 89 89 ASN N N 89 124.798 126.249 -1.451 1 1 1044 . 16 1 1 A 89 89 ASN H H 89 8.649 8.911 -0.262 1 1 1045 . 16 1 1 A 89 89 ASN CA C 89 52.062 52.017 0.045 1 1 1046 . 16 1 1 A 89 89 ASN HA H 89 5.024 5.226 -0.202 1 1 1047 . 16 1 1 A 89 89 ASN CB C 89 41.470 39.789 1.681 1 1 1052 . 16 1 1 A 89 89 ASN C C 89 175.232 174.727 0.505 1 1 1054 . 16 1 1 A 90 90 TYR N N 90 119.662 123.128 -3.466 1 1 1055 . 16 1 1 A 90 90 TYR H H 90 8.559 8.926 -0.367 1 1 1056 . 16 1 1 A 90 90 TYR CA C 90 58.020 56.836 1.184 1 1 1057 . 16 1 1 A 90 90 TYR HA H 90 4.485 4.766 -0.281 1 1 1058 . 16 1 1 A 90 90 TYR CB C 90 37.880 39.733 -1.853 1 1 1068 . 16 1 1 A 90 90 TYR C C 90 174.972 174.578 0.394 1 1 1070 . 16 1 1 A 91 91 PRO CA C 91 63.396 62.517 0.879 1 1 1071 . 16 1 1 A 91 91 PRO HA H 91 4.337 4.483 -0.146 1 1 1072 . 16 1 1 A 91 91 PRO CB C 91 32.028 31.926 0.102 1 1 1081 . 16 1 1 A 92 92 ASN N N 92 118.175 118.357 -0.182 1 1 1082 . 16 1 1 A 92 92 ASN H H 92 8.429 8.441 -0.012 1 1 1083 . 16 1 1 A 92 92 ASN CA C 92 53.343 51.830 1.513 1 1 1084 . 16 1 1 A 92 92 ASN HA H 92 4.691 5.115 -0.424 1 1 1085 . 16 1 1 A 92 92 ASN CB C 92 39.000 40.189 -1.189 1 1 1091 . 16 1 1 A 93 93 SER N N 93 115.984 115.723 0.261 1 1 1092 . 16 1 1 A 93 93 SER H H 93 8.344 8.813 -0.469 1 1 1093 . 16 1 1 A 93 93 SER CA C 93 58.618 57.432 1.186 1 1 1094 . 16 1 1 A 93 93 SER HA H 93 4.474 4.983 -0.509 1 1 1095 . 16 1 1 A 93 93 SER CB C 93 63.894 63.767 0.127 1 1 1098 . 16 1 1 A 94 94 GLY N N 94 111.442 112.346 -0.904 1 1 1099 . 16 1 1 A 94 94 GLY H H 94 8.499 8.988 -0.489 1 1 1100 . 16 1 1 A 94 94 GLY CA C 94 45.417 45.327 0.090 1 1 1101 . 16 1 1 A 94 94 GLY HA3 H 94 4.016 4.155 -0.139 1 1 1102 . 16 1 1 A 94 94 GLY C C 94 173.391 174.138 -0.747 1 1 1103 . 16 1 1 A 94 94 GLY HA2 H 94 4.016 4.150 -0.134 1 1 1 . 17 1 1 A 2 2 SER CA C 2 58.268 58.179 0.089 1 1 2 . 17 1 1 A 2 2 SER CB C 2 63.729 64.335 -0.606 1 1 3 . 17 1 1 A 2 2 SER C C 2 174.818 174.491 0.327 1 1 4 . 17 1 1 A 3 3 SER CA C 3 58.693 57.474 1.219 1 1 5 . 17 1 1 A 3 3 SER CB C 3 63.906 64.965 -1.059 1 1 6 . 17 1 1 A 3 3 SER C C 3 174.981 174.328 0.653 1 1 7 . 17 1 1 A 5 5 SER C C 5 178.688 174.719 3.969 1 1 8 . 17 1 1 A 6 6 SER CA C 6 58.453 58.604 -0.151 1 1 9 . 17 1 1 A 6 6 SER HA H 6 4.502 4.632 -0.130 1 1 10 . 17 1 1 A 6 6 SER CB C 6 63.956 65.255 -1.299 1 1 13 . 17 1 1 A 7 7 GLY N N 7 110.931 109.480 1.451 1 1 14 . 17 1 1 A 7 7 GLY H H 7 8.436 7.829 0.607 1 1 15 . 17 1 1 A 7 7 GLY CA C 7 45.357 44.986 0.371 1 1 16 . 17 1 1 A 7 7 GLY HA3 H 7 3.979 4.047 -0.068 1 1 17 . 17 1 1 A 7 7 GLY C C 7 174.128 173.550 0.578 1 1 18 . 17 1 1 A 7 7 GLY HA2 H 7 3.979 4.046 -0.067 1 1 19 . 17 1 1 A 8 8 VAL N N 8 119.070 123.120 -4.050 1 1 20 . 17 1 1 A 8 8 VAL H H 8 8.006 8.404 -0.398 1 1 21 . 17 1 1 A 8 8 VAL CA C 8 62.332 61.097 1.235 1 1 22 . 17 1 1 A 8 8 VAL HA H 8 4.180 4.477 -0.297 1 1 23 . 17 1 1 A 8 8 VAL CB C 8 32.819 32.233 0.586 1 1 33 . 17 1 1 A 8 8 VAL C C 8 176.359 174.938 1.421 1 1 34 . 17 1 1 A 9 9 SER N N 9 119.223 121.815 -2.592 1 1 35 . 17 1 1 A 9 9 SER H H 9 8.418 8.748 -0.330 1 1 36 . 17 1 1 A 9 9 SER CA C 9 58.392 58.026 0.366 1 1 37 . 17 1 1 A 9 9 SER HA H 9 4.469 4.573 -0.104 1 1 38 . 17 1 1 A 9 9 SER CB C 9 63.948 62.474 1.474 1 1 40 . 17 1 1 A 9 9 SER C C 9 174.256 173.966 0.290 1 1 42 . 17 1 1 A 10 10 ASP N N 10 122.453 122.933 -0.480 1 1 43 . 17 1 1 A 10 10 ASP H H 10 8.311 8.339 -0.028 1 1 44 . 17 1 1 A 10 10 ASP CA C 10 54.450 53.177 1.273 1 1 45 . 17 1 1 A 10 10 ASP HA H 10 4.592 5.142 -0.550 1 1 46 . 17 1 1 A 10 10 ASP CB C 10 41.174 40.647 0.527 1 1 48 . 17 1 1 A 10 10 ASP C C 10 176.480 175.631 0.849 1 1 50 . 17 1 1 A 11 11 MET N N 11 120.428 123.333 -2.905 1 1 51 . 17 1 1 A 11 11 MET H H 11 8.340 8.398 -0.058 1 1 52 . 17 1 1 A 11 11 MET CA C 11 55.757 53.943 1.814 1 1 53 . 17 1 1 A 11 11 MET HA H 11 4.418 5.376 -0.958 1 1 54 . 17 1 1 A 11 11 MET CB C 11 32.457 38.000 -5.543 1 1 62 . 17 1 1 A 11 11 MET C C 11 176.391 174.463 1.928 1 1 65 . 17 1 1 A 12 12 ASN N N 12 118.914 118.267 0.647 1 1 66 . 17 1 1 A 12 12 ASN H H 12 8.416 8.639 -0.223 1 1 67 . 17 1 1 A 12 12 ASN CA C 12 53.687 52.122 1.565 1 1 68 . 17 1 1 A 12 12 ASN HA H 12 4.660 5.422 -0.762 1 1 69 . 17 1 1 A 12 12 ASN CB C 12 38.924 41.706 -2.782 1 1 74 . 17 1 1 A 12 12 ASN C C 12 175.770 174.661 1.109 1 1 76 . 17 1 1 A 13 13 GLY N N 13 108.888 109.690 -0.802 1 1 77 . 17 1 1 A 13 13 GLY H H 13 8.317 8.272 0.045 1 1 78 . 17 1 1 A 13 13 GLY CA C 13 45.658 46.017 -0.359 1 1 79 . 17 1 1 A 13 13 GLY HA3 H 13 3.920 4.099 -0.179 1 1 80 . 17 1 1 A 13 13 GLY C C 13 174.275 174.052 0.223 1 1 81 . 17 1 1 A 13 13 GLY HA2 H 13 3.920 4.097 -0.177 1 1 82 . 17 1 1 A 14 14 LEU N N 14 120.990 121.267 -0.277 1 1 83 . 17 1 1 A 14 14 LEU H H 14 8.015 8.188 -0.173 1 1 84 . 17 1 1 A 14 14 LEU CA C 14 55.074 54.112 0.962 1 1 85 . 17 1 1 A 14 14 LEU HA H 14 4.283 4.417 -0.134 1 1 86 . 17 1 1 A 14 14 LEU CB C 14 42.572 40.355 2.217 1 1 98 . 17 1 1 A 14 14 LEU C C 14 177.365 176.793 0.572 1 1 100 . 17 1 1 A 15 15 GLY N N 15 107.853 112.795 -4.942 1 1 101 . 17 1 1 A 15 15 GLY H H 15 8.198 8.138 0.060 1 1 102 . 17 1 1 A 15 15 GLY CA C 15 44.968 46.048 -1.080 1 1 103 . 17 1 1 A 15 15 GLY HA3 H 15 3.823 4.007 -0.184 1 1 104 . 17 1 1 A 15 15 GLY C C 15 173.829 173.393 0.436 1 1 105 . 17 1 1 A 15 15 GLY HA2 H 15 3.783 3.845 -0.062 1 1 106 . 17 1 1 A 16 16 PHE N N 16 118.501 116.457 2.044 1 1 107 . 17 1 1 A 16 16 PHE H H 16 7.868 7.963 -0.095 1 1 108 . 17 1 1 A 16 16 PHE CA C 16 57.837 56.447 1.390 1 1 109 . 17 1 1 A 16 16 PHE HA H 16 4.442 5.131 -0.689 1 1 110 . 17 1 1 A 16 16 PHE CB C 16 40.278 43.229 -2.951 1 1 122 . 17 1 1 A 16 16 PHE C C 16 176.569 174.851 1.718 1 1 124 . 17 1 1 A 17 17 LYS N N 17 126.087 123.608 2.479 1 1 125 . 17 1 1 A 17 17 LYS H H 17 8.611 8.442 0.169 1 1 126 . 17 1 1 A 17 17 LYS CA C 17 54.271 55.009 -0.738 1 1 127 . 17 1 1 A 17 17 LYS HA H 17 4.573 4.272 0.301 1 1 128 . 17 1 1 A 17 17 LYS CB C 17 32.818 33.035 -0.217 1 1 136 . 17 1 1 A 17 17 LYS C C 17 174.147 175.131 -0.984 1 1 141 . 17 1 1 A 18 18 PRO CA C 18 62.850 62.508 0.342 1 1 142 . 17 1 1 A 18 18 PRO HA H 18 4.647 4.692 -0.045 1 1 143 . 17 1 1 A 18 18 PRO CB C 18 31.990 32.684 -0.694 1 1 149 . 17 1 1 A 18 18 PRO C C 18 176.220 175.658 0.562 1 1 153 . 17 1 1 A 19 19 PHE N N 19 123.581 122.821 0.760 1 1 154 . 17 1 1 A 19 19 PHE H H 19 8.905 8.419 0.486 1 1 155 . 17 1 1 A 19 19 PHE CA C 19 57.402 56.071 1.331 1 1 156 . 17 1 1 A 19 19 PHE HA H 19 4.502 4.986 -0.484 1 1 157 . 17 1 1 A 19 19 PHE CB C 19 41.432 41.383 0.049 1 1 169 . 17 1 1 A 19 19 PHE C C 19 173.078 173.089 -0.011 1 1 171 . 17 1 1 A 20 20 ASP N N 20 126.229 125.766 0.463 1 1 172 . 17 1 1 A 20 20 ASP H H 20 7.412 8.869 -1.457 1 1 173 . 17 1 1 A 20 20 ASP CA C 20 52.686 52.315 0.371 1 1 174 . 17 1 1 A 20 20 ASP HA H 20 5.248 5.228 0.020 1 1 175 . 17 1 1 A 20 20 ASP CB C 20 44.081 42.264 1.817 1 1 177 . 17 1 1 A 20 20 ASP C C 20 174.098 174.243 -0.145 1 1 179 . 17 1 1 A 21 21 LEU N N 21 123.421 123.231 0.190 1 1 180 . 17 1 1 A 21 21 LEU H H 21 8.641 8.337 0.304 1 1 181 . 17 1 1 A 21 21 LEU CA C 21 54.201 53.914 0.287 1 1 182 . 17 1 1 A 21 21 LEU HA H 21 4.367 4.725 -0.358 1 1 183 . 17 1 1 A 21 21 LEU CB C 21 46.118 45.919 0.199 1 1 195 . 17 1 1 A 21 21 LEU C C 21 174.294 173.770 0.524 1 1 197 . 17 1 1 A 22 22 VAL N N 22 127.339 122.952 4.387 1 1 198 . 17 1 1 A 22 22 VAL H H 22 8.451 8.925 -0.474 1 1 199 . 17 1 1 A 22 22 VAL CA C 22 61.986 60.084 1.902 1 1 200 . 17 1 1 A 22 22 VAL HA H 22 4.572 4.796 -0.224 1 1 201 . 17 1 1 A 22 22 VAL CB C 22 32.276 34.684 -2.408 1 1 211 . 17 1 1 A 22 22 VAL C C 22 176.066 175.065 1.001 1 1 212 . 17 1 1 A 23 23 ILE N N 23 128.645 129.527 -0.882 1 1 213 . 17 1 1 A 23 23 ILE H H 23 8.998 8.381 0.617 1 1 214 . 17 1 1 A 23 23 ILE CA C 23 57.193 60.479 -3.286 1 1 215 . 17 1 1 A 23 23 ILE HA H 23 4.489 3.965 0.524 1 1 216 . 17 1 1 A 23 23 ILE CB C 23 38.455 37.322 1.133 1 1 228 . 17 1 1 A 23 23 ILE C C 23 175.434 176.278 -0.844 1 1 230 . 17 1 1 A 24 24 PRO CA C 24 63.319 65.365 -2.046 1 1 231 . 17 1 1 A 24 24 PRO HA H 24 4.600 4.327 0.273 1 1 232 . 17 1 1 A 24 24 PRO CB C 24 30.324 31.997 -1.673 1 1 238 . 17 1 1 A 24 24 PRO C C 24 174.946 176.605 -1.659 1 1 242 . 17 1 1 A 25 25 PHE N N 25 121.530 113.944 7.586 1 1 243 . 17 1 1 A 25 25 PHE H H 25 7.582 7.755 -0.173 1 1 244 . 17 1 1 A 25 25 PHE CA C 25 56.635 56.047 0.588 1 1 245 . 17 1 1 A 25 25 PHE HA H 25 4.552 4.572 -0.020 1 1 246 . 17 1 1 A 25 25 PHE CB C 25 40.977 40.301 0.676 1 1 258 . 17 1 1 A 25 25 PHE C C 25 172.831 175.243 -2.412 1 1 260 . 17 1 1 A 26 26 ALA N N 26 124.526 122.902 1.624 1 1 261 . 17 1 1 A 26 26 ALA H H 26 7.993 8.451 -0.458 1 1 262 . 17 1 1 A 26 26 ALA CA C 26 52.074 51.602 0.472 1 1 263 . 17 1 1 A 26 26 ALA HA H 26 4.221 4.583 -0.362 1 1 264 . 17 1 1 A 26 26 ALA CB C 26 18.862 19.835 -0.973 1 1 268 . 17 1 1 A 26 26 ALA C C 26 176.973 176.817 0.156 1 1 269 . 17 1 1 A 27 27 VAL N N 27 118.422 119.625 -1.203 1 1 270 . 17 1 1 A 27 27 VAL H H 27 8.046 8.483 -0.437 1 1 271 . 17 1 1 A 27 27 VAL CA C 27 61.375 59.996 1.379 1 1 272 . 17 1 1 A 27 27 VAL HA H 27 4.248 4.503 -0.255 1 1 273 . 17 1 1 A 27 27 VAL CB C 27 34.179 34.437 -0.258 1 1 283 . 17 1 1 A 27 27 VAL C C 27 175.445 173.513 1.932 1 1 284 . 17 1 1 A 28 28 ARG N N 28 122.785 123.143 -0.358 1 1 285 . 17 1 1 A 28 28 ARG H H 28 8.275 8.624 -0.349 1 1 286 . 17 1 1 A 28 28 ARG CA C 28 55.407 54.318 1.089 1 1 287 . 17 1 1 A 28 28 ARG HA H 28 4.473 4.915 -0.442 1 1 288 . 17 1 1 A 28 28 ARG CB C 28 31.087 33.868 -2.781 1 1 294 . 17 1 1 A 28 28 ARG C C 28 176.528 175.511 1.017 1 1 298 . 17 1 1 A 29 29 LYS N N 29 121.704 119.105 2.599 1 1 299 . 17 1 1 A 29 29 LYS H H 29 8.484 8.557 -0.073 1 1 300 . 17 1 1 A 29 29 LYS CA C 29 57.888 56.221 1.667 1 1 301 . 17 1 1 A 29 29 LYS HA H 29 4.170 4.216 -0.046 1 1 302 . 17 1 1 A 29 29 LYS CB C 29 32.564 33.491 -0.927 1 1 310 . 17 1 1 A 29 29 LYS C C 29 177.124 176.463 0.661 1 1 315 . 17 1 1 A 30 30 GLY N N 30 109.946 107.940 2.006 1 1 316 . 17 1 1 A 30 30 GLY H H 30 8.546 8.706 -0.160 1 1 317 . 17 1 1 A 30 30 GLY CA C 30 45.408 45.935 -0.527 1 1 318 . 17 1 1 A 30 30 GLY HA3 H 30 4.060 4.028 0.032 1 1 319 . 17 1 1 A 30 30 GLY C C 30 173.961 175.170 -1.209 1 1 320 . 17 1 1 A 30 30 GLY HA2 H 30 3.981 4.014 -0.033 1 1 321 . 17 1 1 A 31 31 GLU N N 31 118.290 125.329 -7.039 1 1 322 . 17 1 1 A 31 31 GLU H H 31 8.088 8.666 -0.578 1 1 323 . 17 1 1 A 31 31 GLU CA C 31 56.979 56.404 0.575 1 1 324 . 17 1 1 A 31 31 GLU HA H 31 4.418 4.444 -0.026 1 1 325 . 17 1 1 A 31 31 GLU CB C 31 31.108 30.230 0.878 1 1 329 . 17 1 1 A 31 31 GLU C C 31 176.184 175.186 0.998 1 1 332 . 17 1 1 A 32 32 ILE N N 32 121.780 122.067 -0.287 1 1 333 . 17 1 1 A 32 32 ILE H H 32 8.155 7.443 0.712 1 1 334 . 17 1 1 A 32 32 ILE CA C 32 58.252 59.235 -0.983 1 1 335 . 17 1 1 A 32 32 ILE HA H 32 5.409 5.161 0.248 1 1 336 . 17 1 1 A 32 32 ILE CB C 32 39.008 42.271 -3.263 1 1 348 . 17 1 1 A 32 32 ILE C C 32 175.262 174.319 0.943 1 1 350 . 17 1 1 A 33 33 THR N N 33 117.063 115.842 1.221 1 1 351 . 17 1 1 A 33 33 THR H H 33 8.906 8.500 0.406 1 1 352 . 17 1 1 A 33 33 THR CA C 33 59.591 60.165 -0.574 1 1 353 . 17 1 1 A 33 33 THR HA H 33 4.707 5.215 -0.508 1 1 354 . 17 1 1 A 33 33 THR CB C 33 72.003 72.593 -0.590 1 1 360 . 17 1 1 A 33 33 THR C C 33 173.146 172.951 0.195 1 1 361 . 17 1 1 A 34 34 GLY N N 34 106.583 108.337 -1.754 1 1 362 . 17 1 1 A 34 34 GLY H H 34 8.603 8.497 0.106 1 1 363 . 17 1 1 A 34 34 GLY CA C 34 45.032 45.412 -0.380 1 1 364 . 17 1 1 A 34 34 GLY HA3 H 34 3.424 4.403 -0.979 1 1 365 . 17 1 1 A 34 34 GLY C C 34 172.260 172.132 0.128 1 1 366 . 17 1 1 A 34 34 GLY HA2 H 34 5.351 4.399 0.952 1 1 367 . 17 1 1 A 35 35 GLU N N 35 118.818 119.844 -1.026 1 1 368 . 17 1 1 A 35 35 GLU H H 35 8.756 8.661 0.095 1 1 369 . 17 1 1 A 35 35 GLU CA C 35 56.375 55.209 1.166 1 1 370 . 17 1 1 A 35 35 GLU HA H 35 4.739 5.079 -0.340 1 1 371 . 17 1 1 A 35 35 GLU CB C 35 34.673 33.925 0.748 1 1 375 . 17 1 1 A 35 35 GLU C C 35 173.645 174.525 -0.880 1 1 378 . 17 1 1 A 36 36 VAL N N 36 124.835 124.276 0.559 1 1 379 . 17 1 1 A 36 36 VAL H H 36 9.291 8.655 0.636 1 1 380 . 17 1 1 A 36 36 VAL CA C 36 60.780 61.562 -0.782 1 1 381 . 17 1 1 A 36 36 VAL HA H 36 4.751 4.718 0.033 1 1 382 . 17 1 1 A 36 36 VAL CB C 36 33.990 34.336 -0.346 1 1 392 . 17 1 1 A 36 36 VAL C C 36 174.137 174.741 -0.604 1 1 393 . 17 1 1 A 37 37 HIS N N 37 126.324 125.639 0.685 1 1 394 . 17 1 1 A 37 37 HIS H H 37 9.294 9.174 0.120 1 1 395 . 17 1 1 A 37 37 HIS CA C 37 54.625 55.236 -0.611 1 1 396 . 17 1 1 A 37 37 HIS HA H 37 4.751 4.902 -0.151 1 1 397 . 17 1 1 A 37 37 HIS CB C 37 30.676 29.766 0.910 1 1 403 . 17 1 1 A 37 37 HIS C C 37 174.317 174.709 -0.392 1 1 405 . 17 1 1 A 38 38 MET N N 38 122.552 123.794 -1.242 1 1 406 . 17 1 1 A 38 38 MET H H 38 8.303 8.799 -0.496 1 1 407 . 17 1 1 A 38 38 MET CA C 38 54.086 55.052 -0.966 1 1 408 . 17 1 1 A 38 38 MET HA H 38 4.089 4.404 -0.315 1 1 409 . 17 1 1 A 38 38 MET CB C 38 32.900 32.153 0.747 1 1 417 . 17 1 1 A 38 38 MET C C 38 174.851 175.956 -1.105 1 1 420 . 17 1 1 A 39 39 PRO CA C 39 65.874 64.109 1.765 1 1 421 . 17 1 1 A 39 39 PRO HA H 39 4.156 4.304 -0.148 1 1 422 . 17 1 1 A 39 39 PRO CB C 39 31.312 31.780 -0.468 1 1 428 . 17 1 1 A 39 39 PRO C C 39 178.047 177.881 0.166 1 1 432 . 17 1 1 A 40 40 SER N N 40 111.214 111.286 -0.072 1 1 433 . 17 1 1 A 40 40 SER H H 40 8.759 7.742 1.017 1 1 434 . 17 1 1 A 40 40 SER CA C 40 59.667 59.072 0.595 1 1 435 . 17 1 1 A 40 40 SER HA H 40 4.089 4.428 -0.339 1 1 436 . 17 1 1 A 40 40 SER CB C 40 62.726 63.211 -0.485 1 1 438 . 17 1 1 A 40 40 SER C C 40 176.300 174.587 1.713 1 1 440 . 17 1 1 A 41 41 GLY N N 41 111.180 108.729 2.451 1 1 441 . 17 1 1 A 41 41 GLY H H 41 8.293 7.693 0.600 1 1 442 . 17 1 1 A 41 41 GLY CA C 41 44.624 45.057 -0.433 1 1 443 . 17 1 1 A 41 41 GLY HA3 H 41 3.620 4.027 -0.407 1 1 444 . 17 1 1 A 41 41 GLY C C 41 174.516 173.818 0.698 1 1 445 . 17 1 1 A 41 41 GLY HA2 H 41 4.447 4.025 0.422 1 1 446 . 17 1 1 A 42 42 LYS N N 42 120.452 119.343 1.109 1 1 447 . 17 1 1 A 42 42 LYS H H 42 7.038 7.748 -0.710 1 1 448 . 17 1 1 A 42 42 LYS CA C 42 56.944 54.315 2.629 1 1 449 . 17 1 1 A 42 42 LYS HA H 42 4.286 4.717 -0.431 1 1 450 . 17 1 1 A 42 42 LYS CB C 42 33.719 35.188 -1.469 1 1 457 . 17 1 1 A 42 42 LYS C C 42 175.050 175.287 -0.237 1 1 462 . 17 1 1 A 43 43 THR N N 43 111.705 111.893 -0.188 1 1 463 . 17 1 1 A 43 43 THR H H 43 8.110 8.695 -0.585 1 1 464 . 17 1 1 A 43 43 THR CA C 43 59.653 60.394 -0.741 1 1 465 . 17 1 1 A 43 43 THR HA H 43 5.450 5.303 0.147 1 1 466 . 17 1 1 A 43 43 THR CB C 43 71.842 71.862 -0.020 1 1 472 . 17 1 1 A 43 43 THR C C 43 174.054 173.163 0.891 1 1 473 . 17 1 1 A 44 44 ALA N N 44 123.338 122.841 0.497 1 1 474 . 17 1 1 A 44 44 ALA H H 44 8.683 8.414 0.269 1 1 475 . 17 1 1 A 44 44 ALA CA C 44 50.752 51.704 -0.952 1 1 476 . 17 1 1 A 44 44 ALA HA H 44 4.798 4.847 -0.049 1 1 477 . 17 1 1 A 44 44 ALA CB C 44 24.091 23.025 1.066 1 1 481 . 17 1 1 A 44 44 ALA C C 44 175.947 176.166 -0.219 1 1 482 . 17 1 1 A 45 45 THR N N 45 117.733 113.829 3.904 1 1 483 . 17 1 1 A 45 45 THR H H 45 8.934 8.567 0.367 1 1 484 . 17 1 1 A 45 45 THR CA C 45 59.517 59.973 -0.456 1 1 485 . 17 1 1 A 45 45 THR HA H 45 4.894 4.865 0.029 1 1 486 . 17 1 1 A 45 45 THR CB C 45 70.403 69.106 1.297 1 1 492 . 17 1 1 A 45 45 THR C C 45 173.394 173.824 -0.430 1 1 493 . 17 1 1 A 46 46 PRO CA C 46 62.017 62.275 -0.258 1 1 494 . 17 1 1 A 46 46 PRO HA H 46 4.978 4.683 0.295 1 1 495 . 17 1 1 A 46 46 PRO CB C 46 32.885 33.047 -0.162 1 1 501 . 17 1 1 A 46 46 PRO C C 46 173.937 175.754 -1.817 1 1 505 . 17 1 1 A 47 47 GLU N N 47 120.450 120.649 -0.199 1 1 506 . 17 1 1 A 47 47 GLU H H 47 8.894 8.510 0.384 1 1 507 . 17 1 1 A 47 47 GLU CA C 47 56.040 55.193 0.847 1 1 508 . 17 1 1 A 47 47 GLU HA H 47 4.409 4.690 -0.281 1 1 509 . 17 1 1 A 47 47 GLU CB C 47 31.436 31.151 0.285 1 1 513 . 17 1 1 A 47 47 GLU C C 47 175.160 175.021 0.139 1 1 516 . 17 1 1 A 48 48 ILE N N 48 124.818 128.136 -3.318 1 1 517 . 17 1 1 A 48 48 ILE H H 48 8.467 8.824 -0.357 1 1 518 . 17 1 1 A 48 48 ILE CA C 48 60.408 59.995 0.413 1 1 519 . 17 1 1 A 48 48 ILE HA H 48 4.727 4.474 0.253 1 1 520 . 17 1 1 A 48 48 ILE CB C 48 38.177 36.544 1.633 1 1 532 . 17 1 1 A 48 48 ILE C C 48 175.681 174.824 0.857 1 1 534 . 17 1 1 A 49 49 VAL N N 49 129.411 127.856 1.555 1 1 535 . 17 1 1 A 49 49 VAL H H 49 9.417 8.508 0.909 1 1 536 . 17 1 1 A 49 49 VAL CA C 49 61.259 60.796 0.463 1 1 537 . 17 1 1 A 49 49 VAL HA H 49 4.188 4.628 -0.440 1 1 538 . 17 1 1 A 49 49 VAL CB C 49 34.719 34.340 0.379 1 1 548 . 17 1 1 A 49 49 VAL C C 49 174.654 173.724 0.930 1 1 549 . 17 1 1 A 50 50 ASP N N 50 125.078 127.785 -2.707 1 1 550 . 17 1 1 A 50 50 ASP H H 50 8.664 8.822 -0.158 1 1 551 . 17 1 1 A 50 50 ASP CA C 50 53.899 52.634 1.265 1 1 552 . 17 1 1 A 50 50 ASP HA H 50 4.683 5.262 -0.579 1 1 553 . 17 1 1 A 50 50 ASP CB C 50 41.270 41.632 -0.362 1 1 555 . 17 1 1 A 50 50 ASP C C 50 176.440 175.658 0.782 1 1 557 . 17 1 1 A 51 51 ASN N N 51 123.926 125.527 -1.601 1 1 558 . 17 1 1 A 51 51 ASN H H 51 8.212 8.521 -0.309 1 1 559 . 17 1 1 A 51 51 ASN CA C 51 53.917 53.721 0.196 1 1 560 . 17 1 1 A 51 51 ASN HA H 51 4.703 4.620 0.083 1 1 561 . 17 1 1 A 51 51 ASN CB C 51 38.667 39.514 -0.847 1 1 566 . 17 1 1 A 51 51 ASN C C 51 176.260 175.763 0.497 1 1 568 . 17 1 1 A 52 52 LYS N N 52 115.640 120.255 -4.615 1 1 569 . 17 1 1 A 52 52 LYS H H 52 9.145 8.876 0.269 1 1 570 . 17 1 1 A 52 52 LYS CA C 52 58.127 56.373 1.754 1 1 571 . 17 1 1 A 52 52 LYS HA H 52 4.040 4.497 -0.457 1 1 572 . 17 1 1 A 52 52 LYS CB C 52 29.405 32.368 -2.963 1 1 580 . 17 1 1 A 52 52 LYS C C 52 175.471 176.385 -0.914 1 1 585 . 17 1 1 A 53 53 ASP N N 53 117.607 121.074 -3.467 1 1 586 . 17 1 1 A 53 53 ASP H H 53 7.824 8.216 -0.392 1 1 587 . 17 1 1 A 53 53 ASP CA C 53 52.598 55.151 -2.553 1 1 588 . 17 1 1 A 53 53 ASP HA H 53 4.690 4.848 -0.158 1 1 589 . 17 1 1 A 53 53 ASP CB C 53 40.929 43.721 -2.792 1 1 591 . 17 1 1 A 53 53 ASP C C 53 177.173 176.322 0.851 1 1 593 . 17 1 1 A 54 54 GLY N N 54 108.692 107.325 1.367 1 1 594 . 17 1 1 A 54 54 GLY H H 54 8.548 8.002 0.546 1 1 595 . 17 1 1 A 54 54 GLY CA C 54 45.161 45.053 0.108 1 1 596 . 17 1 1 A 54 54 GLY HA3 H 54 3.653 4.032 -0.379 1 1 597 . 17 1 1 A 54 54 GLY C C 54 173.737 173.618 0.119 1 1 598 . 17 1 1 A 54 54 GLY HA2 H 54 4.372 4.030 0.342 1 1 599 . 17 1 1 A 55 55 THR N N 55 110.165 110.135 0.030 1 1 600 . 17 1 1 A 55 55 THR H H 55 7.929 7.527 0.402 1 1 601 . 17 1 1 A 55 55 THR CA C 55 60.412 59.523 0.889 1 1 602 . 17 1 1 A 55 55 THR HA H 55 5.100 4.923 0.177 1 1 603 . 17 1 1 A 55 55 THR CB C 55 73.027 72.862 0.165 1 1 609 . 17 1 1 A 55 55 THR C C 55 174.206 173.119 1.087 1 1 610 . 17 1 1 A 56 56 VAL N N 56 115.822 120.317 -4.495 1 1 611 . 17 1 1 A 56 56 VAL H H 56 8.581 8.467 0.114 1 1 612 . 17 1 1 A 56 56 VAL CA C 56 59.608 59.947 -0.339 1 1 613 . 17 1 1 A 56 56 VAL HA H 56 5.132 5.299 -0.167 1 1 614 . 17 1 1 A 56 56 VAL CB C 56 35.607 35.010 0.597 1 1 624 . 17 1 1 A 56 56 VAL C C 56 174.437 174.948 -0.511 1 1 625 . 17 1 1 A 57 57 THR N N 57 120.574 121.559 -0.985 1 1 626 . 17 1 1 A 57 57 THR H H 57 9.151 8.795 0.356 1 1 627 . 17 1 1 A 57 57 THR CA C 57 61.543 61.471 0.072 1 1 628 . 17 1 1 A 57 57 THR HA H 57 5.021 5.206 -0.185 1 1 629 . 17 1 1 A 57 57 THR CB C 57 71.080 71.266 -0.186 1 1 635 . 17 1 1 A 57 57 THR C C 57 173.190 173.456 -0.266 1 1 636 . 17 1 1 A 58 58 VAL N N 58 127.832 127.839 -0.007 1 1 637 . 17 1 1 A 58 58 VAL H H 58 9.296 8.972 0.324 1 1 638 . 17 1 1 A 58 58 VAL CA C 58 61.204 62.667 -1.463 1 1 639 . 17 1 1 A 58 58 VAL HA H 58 4.774 4.520 0.254 1 1 640 . 17 1 1 A 58 58 VAL CB C 58 32.626 30.712 1.914 1 1 650 . 17 1 1 A 58 58 VAL C C 58 173.991 174.578 -0.587 1 1 651 . 17 1 1 A 59 59 ARG N N 59 126.761 128.819 -2.058 1 1 652 . 17 1 1 A 59 59 ARG H H 59 9.190 8.740 0.450 1 1 653 . 17 1 1 A 59 59 ARG CA C 59 54.384 54.798 -0.414 1 1 654 . 17 1 1 A 59 59 ARG HA H 59 5.488 5.158 0.330 1 1 655 . 17 1 1 A 59 59 ARG CB C 59 34.262 31.987 2.275 1 1 661 . 17 1 1 A 59 59 ARG C C 59 174.849 174.959 -0.110 1 1 665 . 17 1 1 A 60 60 TYR N N 60 123.838 127.444 -3.606 1 1 666 . 17 1 1 A 60 60 TYR H H 60 9.164 8.838 0.326 1 1 667 . 17 1 1 A 60 60 TYR CA C 60 56.684 57.089 -0.405 1 1 668 . 17 1 1 A 60 60 TYR HA H 60 5.024 5.314 -0.290 1 1 669 . 17 1 1 A 60 60 TYR CB C 60 42.761 42.335 0.426 1 1 675 . 17 1 1 A 60 60 TYR C C 60 171.861 173.464 -1.603 1 1 677 . 17 1 1 A 61 61 ALA N N 61 134.382 129.673 4.709 1 1 678 . 17 1 1 A 61 61 ALA H H 61 8.023 8.393 -0.370 1 1 679 . 17 1 1 A 61 61 ALA CA C 61 47.869 48.159 -0.290 1 1 680 . 17 1 1 A 61 61 ALA HA H 61 4.670 4.588 0.082 1 1 681 . 17 1 1 A 61 61 ALA CB C 61 18.685 20.603 -1.918 1 1 685 . 17 1 1 A 61 61 ALA C C 61 172.714 175.463 -2.749 1 1 686 . 17 1 1 A 62 62 PRO CA C 62 62.455 62.529 -0.074 1 1 687 . 17 1 1 A 62 62 PRO HA H 62 4.137 4.309 -0.172 1 1 688 . 17 1 1 A 62 62 PRO CB C 62 33.972 31.728 2.244 1 1 694 . 17 1 1 A 62 62 PRO C C 62 175.567 176.902 -1.335 1 1 698 . 17 1 1 A 63 63 THR N N 63 106.145 113.698 -7.553 1 1 699 . 17 1 1 A 63 63 THR H H 63 8.819 8.635 0.184 1 1 700 . 17 1 1 A 63 63 THR CA C 63 60.795 63.222 -2.427 1 1 701 . 17 1 1 A 63 63 THR HA H 63 4.278 4.469 -0.191 1 1 702 . 17 1 1 A 63 63 THR CB C 63 70.379 69.534 0.845 1 1 708 . 17 1 1 A 63 63 THR C C 63 173.771 174.734 -0.963 1 1 709 . 17 1 1 A 64 64 GLU N N 64 119.851 118.901 0.950 1 1 710 . 17 1 1 A 64 64 GLU H H 64 7.217 7.585 -0.368 1 1 711 . 17 1 1 A 64 64 GLU CA C 64 54.483 54.795 -0.312 1 1 712 . 17 1 1 A 64 64 GLU HA H 64 4.560 4.676 -0.116 1 1 713 . 17 1 1 A 64 64 GLU CB C 64 33.675 33.601 0.074 1 1 717 . 17 1 1 A 64 64 GLU C C 64 173.177 175.146 -1.969 1 1 720 . 17 1 1 A 65 65 VAL N N 65 114.914 119.058 -4.144 1 1 721 . 17 1 1 A 65 65 VAL H H 65 7.740 8.292 -0.552 1 1 722 . 17 1 1 A 65 65 VAL CA C 65 61.412 60.715 0.697 1 1 723 . 17 1 1 A 65 65 VAL HA H 65 3.730 4.251 -0.521 1 1 724 . 17 1 1 A 65 65 VAL CB C 65 33.477 33.217 0.260 1 1 734 . 17 1 1 A 65 65 VAL C C 65 176.588 174.893 1.695 1 1 735 . 17 1 1 A 66 66 GLY N N 66 108.948 108.613 0.335 1 1 736 . 17 1 1 A 66 66 GLY H H 66 8.821 7.840 0.981 1 1 737 . 17 1 1 A 66 66 GLY CA C 66 43.304 43.899 -0.595 1 1 738 . 17 1 1 A 66 66 GLY HA3 H 66 4.468 3.928 0.540 1 1 739 . 17 1 1 A 66 66 GLY C C 66 175.811 171.385 4.426 1 1 740 . 17 1 1 A 66 66 GLY HA2 H 66 3.184 3.749 -0.565 1 1 741 . 17 1 1 A 67 67 LEU N N 67 126.594 121.965 4.629 1 1 742 . 17 1 1 A 67 67 LEU H H 67 9.023 8.243 0.780 1 1 743 . 17 1 1 A 67 67 LEU CA C 67 56.432 53.413 3.019 1 1 744 . 17 1 1 A 67 67 LEU HA H 67 4.137 4.809 -0.672 1 1 745 . 17 1 1 A 67 67 LEU CB C 67 41.933 44.032 -2.099 1 1 757 . 17 1 1 A 67 67 LEU C C 67 174.817 174.375 0.442 1 1 759 . 17 1 1 A 68 68 HIS N N 68 127.130 125.426 1.704 1 1 760 . 17 1 1 A 68 68 HIS H H 68 9.165 8.463 0.702 1 1 761 . 17 1 1 A 68 68 HIS CA C 68 54.518 54.164 0.354 1 1 762 . 17 1 1 A 68 68 HIS HA H 68 4.562 5.135 -0.573 1 1 763 . 17 1 1 A 68 68 HIS CB C 68 32.159 32.690 -0.531 1 1 769 . 17 1 1 A 68 68 HIS C C 68 173.717 173.277 0.440 1 1 771 . 17 1 1 A 69 69 GLU N N 69 116.428 124.015 -7.587 1 1 772 . 17 1 1 A 69 69 GLU H H 69 8.096 8.638 -0.542 1 1 773 . 17 1 1 A 69 69 GLU CA C 69 54.625 54.926 -0.301 1 1 774 . 17 1 1 A 69 69 GLU HA H 69 5.274 5.217 0.057 1 1 775 . 17 1 1 A 69 69 GLU CB C 69 34.361 32.555 1.806 1 1 779 . 17 1 1 A 69 69 GLU C C 69 174.811 175.005 -0.194 1 1 782 . 17 1 1 A 70 70 MET N N 70 126.104 127.678 -1.574 1 1 783 . 17 1 1 A 70 70 MET H H 70 9.874 9.065 0.809 1 1 784 . 17 1 1 A 70 70 MET CA C 70 54.399 54.247 0.152 1 1 785 . 17 1 1 A 70 70 MET HA H 70 5.272 5.310 -0.038 1 1 786 . 17 1 1 A 70 70 MET CB C 70 36.158 34.800 1.358 1 1 794 . 17 1 1 A 70 70 MET C C 70 173.699 175.285 -1.586 1 1 797 . 17 1 1 A 71 71 HIS N N 71 129.007 123.046 5.961 1 1 798 . 17 1 1 A 71 71 HIS H H 71 9.533 9.366 0.167 1 1 799 . 17 1 1 A 71 71 HIS CA C 71 54.201 54.486 -0.285 1 1 800 . 17 1 1 A 71 71 HIS HA H 71 5.273 5.180 0.093 1 1 801 . 17 1 1 A 71 71 HIS CB C 71 33.546 31.872 1.674 1 1 807 . 17 1 1 A 71 71 HIS C C 71 174.997 173.937 1.060 1 1 809 . 17 1 1 A 72 72 ILE N N 72 126.123 124.184 1.939 1 1 810 . 17 1 1 A 72 72 ILE H H 72 9.842 9.001 0.841 1 1 811 . 17 1 1 A 72 72 ILE CA C 72 60.037 59.730 0.307 1 1 812 . 17 1 1 A 72 72 ILE HA H 72 4.885 4.935 -0.050 1 1 813 . 17 1 1 A 72 72 ILE CB C 72 40.102 40.639 -0.537 1 1 825 . 17 1 1 A 72 72 ILE C C 72 173.955 175.329 -1.374 1 1 827 . 17 1 1 A 73 73 LYS N N 73 124.414 124.588 -0.174 1 1 828 . 17 1 1 A 73 73 LYS H H 73 8.854 8.555 0.299 1 1 829 . 17 1 1 A 73 73 LYS CA C 73 54.200 54.853 -0.653 1 1 830 . 17 1 1 A 73 73 LYS HA H 73 4.964 5.095 -0.131 1 1 831 . 17 1 1 A 73 73 LYS CB C 73 36.335 35.681 0.654 1 1 839 . 17 1 1 A 73 73 LYS C C 73 174.360 174.442 -0.082 1 1 844 . 17 1 1 A 74 74 TYR N N 74 121.190 126.513 -5.323 1 1 845 . 17 1 1 A 74 74 TYR H H 74 8.979 9.037 -0.058 1 1 846 . 17 1 1 A 74 74 TYR CA C 74 55.271 57.836 -2.565 1 1 847 . 17 1 1 A 74 74 TYR HA H 74 5.365 4.811 0.554 1 1 848 . 17 1 1 A 74 74 TYR CB C 74 41.143 39.748 1.395 1 1 858 . 17 1 1 A 74 74 TYR C C 74 175.646 175.090 0.556 1 1 860 . 17 1 1 A 75 75 MET N N 75 125.219 127.017 -1.798 1 1 861 . 17 1 1 A 75 75 MET H H 75 9.096 9.557 -0.461 1 1 862 . 17 1 1 A 75 75 MET CA C 75 56.166 56.616 -0.450 1 1 863 . 17 1 1 A 75 75 MET HA H 75 3.920 4.336 -0.416 1 1 864 . 17 1 1 A 75 75 MET CB C 75 29.423 31.187 -1.764 1 1 872 . 17 1 1 A 75 75 MET C C 75 176.809 176.336 0.473 1 1 875 . 17 1 1 A 76 76 GLY N N 76 102.874 104.577 -1.703 1 1 876 . 17 1 1 A 76 76 GLY H H 76 8.573 8.640 -0.067 1 1 877 . 17 1 1 A 76 76 GLY CA C 76 45.421 46.237 -0.816 1 1 878 . 17 1 1 A 76 76 GLY HA3 H 76 4.221 3.903 0.318 1 1 879 . 17 1 1 A 76 76 GLY C C 76 174.014 173.847 0.167 1 1 880 . 17 1 1 A 76 76 GLY HA2 H 76 3.471 3.888 -0.417 1 1 881 . 17 1 1 A 77 77 SER N N 77 115.868 114.894 0.974 1 1 882 . 17 1 1 A 77 77 SER H H 77 7.609 7.660 -0.051 1 1 883 . 17 1 1 A 77 77 SER CA C 77 56.956 57.679 -0.723 1 1 884 . 17 1 1 A 77 77 SER HA H 77 4.935 4.847 0.088 1 1 885 . 17 1 1 A 77 77 SER CB C 77 65.336 65.825 -0.489 1 1 887 . 17 1 1 A 77 77 SER C C 77 173.677 173.289 0.388 1 1 889 . 17 1 1 A 78 78 HIS N N 78 124.606 124.439 0.167 1 1 890 . 17 1 1 A 78 78 HIS H H 78 8.751 8.941 -0.190 1 1 891 . 17 1 1 A 78 78 HIS CA C 78 59.005 57.414 1.591 1 1 892 . 17 1 1 A 78 78 HIS HA H 78 4.617 4.731 -0.114 1 1 893 . 17 1 1 A 78 78 HIS CB C 78 32.066 30.913 1.153 1 1 899 . 17 1 1 A 78 78 HIS C C 78 178.429 175.610 2.819 1 1 901 . 17 1 1 A 79 79 ILE N N 79 117.547 119.233 -1.686 1 1 902 . 17 1 1 A 79 79 ILE H H 79 8.102 8.111 -0.009 1 1 903 . 17 1 1 A 79 79 ILE CA C 79 61.442 58.639 2.803 1 1 904 . 17 1 1 A 79 79 ILE HA H 79 4.737 4.618 0.119 1 1 905 . 17 1 1 A 79 79 ILE CB C 79 35.644 38.359 -2.715 1 1 917 . 17 1 1 A 79 79 ILE C C 79 174.657 176.088 -1.431 1 1 919 . 17 1 1 A 80 80 PRO CA C 80 66.398 64.306 2.092 1 1 920 . 17 1 1 A 80 80 PRO HA H 80 4.296 4.547 -0.251 1 1 921 . 17 1 1 A 80 80 PRO CB C 80 31.380 31.576 -0.196 1 1 927 . 17 1 1 A 80 80 PRO C C 80 177.763 177.408 0.355 1 1 931 . 17 1 1 A 81 81 GLU N N 81 114.279 117.681 -3.402 1 1 932 . 17 1 1 A 81 81 GLU H H 81 8.913 8.447 0.466 1 1 933 . 17 1 1 A 81 81 GLU CA C 81 58.285 56.496 1.789 1 1 934 . 17 1 1 A 81 81 GLU HA H 81 4.043 4.605 -0.562 1 1 935 . 17 1 1 A 81 81 GLU CB C 81 29.010 31.152 -2.142 1 1 939 . 17 1 1 A 81 81 GLU C C 81 174.743 175.393 -0.650 1 1 942 . 17 1 1 A 82 82 SER N N 82 112.700 114.229 -1.529 1 1 943 . 17 1 1 A 82 82 SER H H 82 7.918 7.734 0.184 1 1 944 . 17 1 1 A 82 82 SER CA C 82 54.519 55.938 -1.419 1 1 945 . 17 1 1 A 82 82 SER HA H 82 4.798 4.878 -0.080 1 1 946 . 17 1 1 A 82 82 SER CB C 82 64.077 65.782 -1.705 1 1 948 . 17 1 1 A 82 82 SER C C 82 173.394 171.610 1.784 1 1 950 . 17 1 1 A 83 83 PRO CA C 83 62.597 62.587 0.010 1 1 951 . 17 1 1 A 83 83 PRO HA H 83 5.247 4.726 0.521 1 1 952 . 17 1 1 A 83 83 PRO CB C 83 34.681 32.236 2.445 1 1 958 . 17 1 1 A 83 83 PRO C C 83 175.783 176.422 -0.639 1 1 962 . 17 1 1 A 84 84 LEU N N 84 123.427 116.941 6.486 1 1 963 . 17 1 1 A 84 84 LEU H H 84 9.099 8.054 1.045 1 1 964 . 17 1 1 A 84 84 LEU CA C 84 54.413 52.282 2.131 1 1 965 . 17 1 1 A 84 84 LEU HA H 84 4.893 5.280 -0.387 1 1 966 . 17 1 1 A 84 84 LEU CB C 84 44.452 46.200 -1.748 1 1 978 . 17 1 1 A 84 84 LEU C C 84 176.054 175.785 0.269 1 1 980 . 17 1 1 A 85 85 GLN N N 85 122.438 118.427 4.011 1 1 981 . 17 1 1 A 85 85 GLN H H 85 8.869 8.590 0.279 1 1 982 . 17 1 1 A 85 85 GLN CA C 85 54.811 54.218 0.593 1 1 983 . 17 1 1 A 85 85 GLN HA H 85 5.359 5.305 0.054 1 1 984 . 17 1 1 A 85 85 GLN CB C 85 30.972 32.947 -1.975 1 1 991 . 17 1 1 A 85 85 GLN C C 85 175.687 174.896 0.791 1 1 994 . 17 1 1 A 86 86 PHE N N 86 118.108 119.244 -1.136 1 1 995 . 17 1 1 A 86 86 PHE H H 86 8.483 8.248 0.235 1 1 996 . 17 1 1 A 86 86 PHE CA C 86 56.104 55.630 0.474 1 1 997 . 17 1 1 A 86 86 PHE HA H 86 4.917 5.447 -0.530 1 1 998 . 17 1 1 A 86 86 PHE CB C 86 40.732 42.004 -1.272 1 1 1010 . 17 1 1 A 86 86 PHE C C 86 171.607 172.623 -1.016 1 1 1012 . 17 1 1 A 87 87 TYR N N 87 124.521 125.557 -1.036 1 1 1013 . 17 1 1 A 87 87 TYR H H 87 9.179 9.225 -0.046 1 1 1014 . 17 1 1 A 87 87 TYR CA C 87 57.832 57.850 -0.018 1 1 1015 . 17 1 1 A 87 87 TYR HA H 87 4.643 4.998 -0.355 1 1 1016 . 17 1 1 A 87 87 TYR CB C 87 40.731 39.593 1.138 1 1 1026 . 17 1 1 A 87 87 TYR C C 87 175.145 174.510 0.635 1 1 1028 . 17 1 1 A 88 88 VAL N N 88 129.828 126.789 3.039 1 1 1029 . 17 1 1 A 88 88 VAL H H 88 7.865 8.197 -0.332 1 1 1030 . 17 1 1 A 88 88 VAL CA C 88 61.875 62.462 -0.587 1 1 1031 . 17 1 1 A 88 88 VAL HA H 88 4.219 4.465 -0.246 1 1 1032 . 17 1 1 A 88 88 VAL CB C 88 32.943 30.829 2.114 1 1 1042 . 17 1 1 A 88 88 VAL C C 88 174.472 175.568 -1.096 1 1 1043 . 17 1 1 A 89 89 ASN N N 89 124.798 126.041 -1.243 1 1 1044 . 17 1 1 A 89 89 ASN H H 89 8.649 8.658 -0.009 1 1 1045 . 17 1 1 A 89 89 ASN CA C 89 52.062 53.510 -1.448 1 1 1046 . 17 1 1 A 89 89 ASN HA H 89 5.024 4.960 0.064 1 1 1047 . 17 1 1 A 89 89 ASN CB C 89 41.470 39.326 2.144 1 1 1052 . 17 1 1 A 89 89 ASN C C 89 175.232 175.173 0.059 1 1 1054 . 17 1 1 A 90 90 TYR N N 90 119.662 124.329 -4.667 1 1 1055 . 17 1 1 A 90 90 TYR H H 90 8.559 8.877 -0.318 1 1 1056 . 17 1 1 A 90 90 TYR CA C 90 58.020 57.189 0.831 1 1 1057 . 17 1 1 A 90 90 TYR HA H 90 4.485 4.869 -0.384 1 1 1058 . 17 1 1 A 90 90 TYR CB C 90 37.880 39.751 -1.871 1 1 1068 . 17 1 1 A 90 90 TYR C C 90 174.972 176.241 -1.269 1 1 1070 . 17 1 1 A 91 91 PRO CA C 91 63.396 63.794 -0.398 1 1 1071 . 17 1 1 A 91 91 PRO HA H 91 4.337 4.398 -0.061 1 1 1072 . 17 1 1 A 91 91 PRO CB C 91 32.028 31.268 0.760 1 1 1081 . 17 1 1 A 92 92 ASN N N 92 118.175 118.331 -0.156 1 1 1082 . 17 1 1 A 92 92 ASN H H 92 8.429 8.090 0.339 1 1 1083 . 17 1 1 A 92 92 ASN CA C 92 53.343 52.015 1.328 1 1 1084 . 17 1 1 A 92 92 ASN HA H 92 4.691 5.212 -0.521 1 1 1085 . 17 1 1 A 92 92 ASN CB C 92 39.000 41.857 -2.857 1 1 1091 . 17 1 1 A 93 93 SER N N 93 115.984 118.524 -2.540 1 1 1092 . 17 1 1 A 93 93 SER H H 93 8.344 8.738 -0.394 1 1 1093 . 17 1 1 A 93 93 SER CA C 93 58.618 59.405 -0.787 1 1 1094 . 17 1 1 A 93 93 SER HA H 93 4.474 4.463 0.011 1 1 1095 . 17 1 1 A 93 93 SER CB C 93 63.894 63.783 0.111 1 1 1098 . 17 1 1 A 94 94 GLY N N 94 111.442 112.680 -1.238 1 1 1099 . 17 1 1 A 94 94 GLY H H 94 8.499 8.585 -0.086 1 1 1100 . 17 1 1 A 94 94 GLY CA C 94 45.417 44.970 0.447 1 1 1101 . 17 1 1 A 94 94 GLY HA3 H 94 4.016 4.183 -0.167 1 1 1102 . 17 1 1 A 94 94 GLY C C 94 173.391 171.368 2.023 1 1 1103 . 17 1 1 A 94 94 GLY HA2 H 94 4.016 4.172 -0.156 1 1 1 . 18 1 1 A 2 2 SER CA C 2 58.268 56.630 1.638 1 1 2 . 18 1 1 A 2 2 SER CB C 2 63.729 63.569 0.160 1 1 3 . 18 1 1 A 2 2 SER C C 2 174.818 174.455 0.363 1 1 4 . 18 1 1 A 3 3 SER CA C 3 58.693 61.266 -2.573 1 1 5 . 18 1 1 A 3 3 SER CB C 3 63.906 63.444 0.462 1 1 6 . 18 1 1 A 3 3 SER C C 3 174.981 175.206 -0.225 1 1 7 . 18 1 1 A 5 5 SER C C 5 178.688 172.900 5.788 1 1 8 . 18 1 1 A 6 6 SER CA C 6 58.453 56.171 2.282 1 1 9 . 18 1 1 A 6 6 SER HA H 6 4.502 5.243 -0.741 1 1 10 . 18 1 1 A 6 6 SER CB C 6 63.956 65.822 -1.866 1 1 13 . 18 1 1 A 7 7 GLY N N 7 110.931 108.033 2.898 1 1 14 . 18 1 1 A 7 7 GLY H H 7 8.436 8.229 0.207 1 1 15 . 18 1 1 A 7 7 GLY CA C 7 45.357 45.491 -0.134 1 1 16 . 18 1 1 A 7 7 GLY HA3 H 7 3.979 3.999 -0.020 1 1 17 . 18 1 1 A 7 7 GLY C C 7 174.128 174.599 -0.471 1 1 18 . 18 1 1 A 7 7 GLY HA2 H 7 3.979 3.997 -0.018 1 1 19 . 18 1 1 A 8 8 VAL N N 8 119.070 122.011 -2.941 1 1 20 . 18 1 1 A 8 8 VAL H H 8 8.006 7.793 0.213 1 1 21 . 18 1 1 A 8 8 VAL CA C 8 62.332 62.464 -0.132 1 1 22 . 18 1 1 A 8 8 VAL HA H 8 4.180 4.048 0.132 1 1 23 . 18 1 1 A 8 8 VAL CB C 8 32.819 32.614 0.205 1 1 33 . 18 1 1 A 8 8 VAL C C 8 176.359 174.871 1.488 1 1 34 . 18 1 1 A 9 9 SER N N 9 119.223 121.092 -1.869 1 1 35 . 18 1 1 A 9 9 SER H H 9 8.418 8.525 -0.107 1 1 36 . 18 1 1 A 9 9 SER CA C 9 58.392 56.466 1.926 1 1 37 . 18 1 1 A 9 9 SER HA H 9 4.469 5.266 -0.797 1 1 38 . 18 1 1 A 9 9 SER CB C 9 63.948 64.370 -0.422 1 1 40 . 18 1 1 A 9 9 SER C C 9 174.256 172.303 1.953 1 1 42 . 18 1 1 A 10 10 ASP N N 10 122.453 126.029 -3.576 1 1 43 . 18 1 1 A 10 10 ASP H H 10 8.311 9.169 -0.858 1 1 44 . 18 1 1 A 10 10 ASP CA C 10 54.450 53.020 1.430 1 1 45 . 18 1 1 A 10 10 ASP HA H 10 4.592 5.103 -0.511 1 1 46 . 18 1 1 A 10 10 ASP CB C 10 41.174 41.594 -0.420 1 1 48 . 18 1 1 A 10 10 ASP C C 10 176.480 174.741 1.739 1 1 50 . 18 1 1 A 11 11 MET N N 11 120.428 124.453 -4.025 1 1 51 . 18 1 1 A 11 11 MET H H 11 8.340 8.880 -0.540 1 1 52 . 18 1 1 A 11 11 MET CA C 11 55.757 53.947 1.810 1 1 53 . 18 1 1 A 11 11 MET HA H 11 4.418 4.966 -0.548 1 1 54 . 18 1 1 A 11 11 MET CB C 11 32.457 31.791 0.666 1 1 62 . 18 1 1 A 11 11 MET C C 11 176.391 175.087 1.304 1 1 65 . 18 1 1 A 12 12 ASN N N 12 118.914 121.112 -2.198 1 1 66 . 18 1 1 A 12 12 ASN H H 12 8.416 8.088 0.328 1 1 67 . 18 1 1 A 12 12 ASN CA C 12 53.687 52.289 1.398 1 1 68 . 18 1 1 A 12 12 ASN HA H 12 4.660 5.321 -0.661 1 1 69 . 18 1 1 A 12 12 ASN CB C 12 38.924 42.723 -3.799 1 1 74 . 18 1 1 A 12 12 ASN C C 12 175.770 173.438 2.332 1 1 76 . 18 1 1 A 13 13 GLY N N 13 108.888 110.767 -1.879 1 1 77 . 18 1 1 A 13 13 GLY H H 13 8.317 8.763 -0.446 1 1 78 . 18 1 1 A 13 13 GLY CA C 13 45.658 45.161 0.497 1 1 79 . 18 1 1 A 13 13 GLY HA3 H 13 3.920 4.168 -0.248 1 1 80 . 18 1 1 A 13 13 GLY C C 13 174.275 174.007 0.268 1 1 81 . 18 1 1 A 13 13 GLY HA2 H 13 3.920 4.167 -0.247 1 1 82 . 18 1 1 A 14 14 LEU N N 14 120.990 125.290 -4.300 1 1 83 . 18 1 1 A 14 14 LEU H H 14 8.015 8.714 -0.699 1 1 84 . 18 1 1 A 14 14 LEU CA C 14 55.074 56.544 -1.470 1 1 85 . 18 1 1 A 14 14 LEU HA H 14 4.283 4.314 -0.031 1 1 86 . 18 1 1 A 14 14 LEU CB C 14 42.572 42.492 0.080 1 1 98 . 18 1 1 A 14 14 LEU C C 14 177.365 177.363 0.002 1 1 100 . 18 1 1 A 15 15 GLY N N 15 107.853 104.433 3.420 1 1 101 . 18 1 1 A 15 15 GLY H H 15 8.198 7.416 0.782 1 1 102 . 18 1 1 A 15 15 GLY CA C 15 44.968 45.819 -0.851 1 1 103 . 18 1 1 A 15 15 GLY HA3 H 15 3.823 3.822 0.001 1 1 104 . 18 1 1 A 15 15 GLY C C 15 173.829 172.774 1.055 1 1 105 . 18 1 1 A 15 15 GLY HA2 H 15 3.783 3.661 0.122 1 1 106 . 18 1 1 A 16 16 PHE N N 16 118.501 116.874 1.627 1 1 107 . 18 1 1 A 16 16 PHE H H 16 7.868 8.070 -0.202 1 1 108 . 18 1 1 A 16 16 PHE CA C 16 57.837 56.253 1.584 1 1 109 . 18 1 1 A 16 16 PHE HA H 16 4.442 5.144 -0.702 1 1 110 . 18 1 1 A 16 16 PHE CB C 16 40.278 43.161 -2.883 1 1 122 . 18 1 1 A 16 16 PHE C C 16 176.569 174.801 1.768 1 1 124 . 18 1 1 A 17 17 LYS N N 17 126.087 123.747 2.340 1 1 125 . 18 1 1 A 17 17 LYS H H 17 8.611 8.461 0.150 1 1 126 . 18 1 1 A 17 17 LYS CA C 17 54.271 54.647 -0.376 1 1 127 . 18 1 1 A 17 17 LYS HA H 17 4.573 4.257 0.316 1 1 128 . 18 1 1 A 17 17 LYS CB C 17 32.818 33.200 -0.382 1 1 136 . 18 1 1 A 17 17 LYS C C 17 174.147 175.146 -0.999 1 1 141 . 18 1 1 A 18 18 PRO CA C 18 62.850 62.526 0.324 1 1 142 . 18 1 1 A 18 18 PRO HA H 18 4.647 4.668 -0.021 1 1 143 . 18 1 1 A 18 18 PRO CB C 18 31.990 32.652 -0.662 1 1 149 . 18 1 1 A 18 18 PRO C C 18 176.220 175.668 0.552 1 1 153 . 18 1 1 A 19 19 PHE N N 19 123.581 123.531 0.050 1 1 154 . 18 1 1 A 19 19 PHE H H 19 8.905 8.068 0.837 1 1 155 . 18 1 1 A 19 19 PHE CA C 19 57.402 56.430 0.972 1 1 156 . 18 1 1 A 19 19 PHE HA H 19 4.502 4.973 -0.471 1 1 157 . 18 1 1 A 19 19 PHE CB C 19 41.432 40.777 0.655 1 1 169 . 18 1 1 A 19 19 PHE C C 19 173.078 173.496 -0.418 1 1 171 . 18 1 1 A 20 20 ASP N N 20 126.229 125.080 1.149 1 1 172 . 18 1 1 A 20 20 ASP H H 20 7.412 8.755 -1.343 1 1 173 . 18 1 1 A 20 20 ASP CA C 20 52.686 52.639 0.047 1 1 174 . 18 1 1 A 20 20 ASP HA H 20 5.248 4.941 0.307 1 1 175 . 18 1 1 A 20 20 ASP CB C 20 44.081 42.097 1.984 1 1 177 . 18 1 1 A 20 20 ASP C C 20 174.098 174.675 -0.577 1 1 179 . 18 1 1 A 21 21 LEU N N 21 123.421 121.978 1.443 1 1 180 . 18 1 1 A 21 21 LEU H H 21 8.641 8.042 0.599 1 1 181 . 18 1 1 A 21 21 LEU CA C 21 54.201 53.605 0.596 1 1 182 . 18 1 1 A 21 21 LEU HA H 21 4.367 4.741 -0.374 1 1 183 . 18 1 1 A 21 21 LEU CB C 21 46.118 46.203 -0.085 1 1 195 . 18 1 1 A 21 21 LEU C C 21 174.294 173.720 0.574 1 1 197 . 18 1 1 A 22 22 VAL N N 22 127.339 121.898 5.441 1 1 198 . 18 1 1 A 22 22 VAL H H 22 8.451 8.921 -0.470 1 1 199 . 18 1 1 A 22 22 VAL CA C 22 61.986 59.956 2.030 1 1 200 . 18 1 1 A 22 22 VAL HA H 22 4.572 5.072 -0.500 1 1 201 . 18 1 1 A 22 22 VAL CB C 22 32.276 34.544 -2.268 1 1 211 . 18 1 1 A 22 22 VAL C C 22 176.066 175.069 0.997 1 1 212 . 18 1 1 A 23 23 ILE N N 23 128.645 129.212 -0.567 1 1 213 . 18 1 1 A 23 23 ILE H H 23 8.998 8.048 0.950 1 1 214 . 18 1 1 A 23 23 ILE CA C 23 57.193 60.500 -3.307 1 1 215 . 18 1 1 A 23 23 ILE HA H 23 4.489 4.120 0.369 1 1 216 . 18 1 1 A 23 23 ILE CB C 23 38.455 37.667 0.788 1 1 228 . 18 1 1 A 23 23 ILE C C 23 175.434 176.578 -1.144 1 1 230 . 18 1 1 A 24 24 PRO CA C 24 63.319 65.528 -2.209 1 1 231 . 18 1 1 A 24 24 PRO HA H 24 4.600 4.368 0.232 1 1 232 . 18 1 1 A 24 24 PRO CB C 24 30.324 31.984 -1.660 1 1 238 . 18 1 1 A 24 24 PRO C C 24 174.946 176.749 -1.803 1 1 242 . 18 1 1 A 25 25 PHE N N 25 121.530 114.662 6.868 1 1 243 . 18 1 1 A 25 25 PHE H H 25 7.582 7.961 -0.379 1 1 244 . 18 1 1 A 25 25 PHE CA C 25 56.635 56.109 0.526 1 1 245 . 18 1 1 A 25 25 PHE HA H 25 4.552 4.558 -0.006 1 1 246 . 18 1 1 A 25 25 PHE CB C 25 40.977 40.604 0.373 1 1 258 . 18 1 1 A 25 25 PHE C C 25 172.831 174.868 -2.037 1 1 260 . 18 1 1 A 26 26 ALA N N 26 124.526 122.434 2.092 1 1 261 . 18 1 1 A 26 26 ALA H H 26 7.993 8.694 -0.701 1 1 262 . 18 1 1 A 26 26 ALA CA C 26 52.074 49.934 2.140 1 1 263 . 18 1 1 A 26 26 ALA HA H 26 4.221 4.936 -0.715 1 1 264 . 18 1 1 A 26 26 ALA CB C 26 18.862 21.615 -2.753 1 1 268 . 18 1 1 A 26 26 ALA C C 26 176.973 175.641 1.332 1 1 269 . 18 1 1 A 27 27 VAL N N 27 118.422 118.395 0.027 1 1 270 . 18 1 1 A 27 27 VAL H H 27 8.046 8.389 -0.343 1 1 271 . 18 1 1 A 27 27 VAL CA C 27 61.375 59.283 2.092 1 1 272 . 18 1 1 A 27 27 VAL HA H 27 4.248 4.568 -0.320 1 1 273 . 18 1 1 A 27 27 VAL CB C 27 34.179 35.367 -1.188 1 1 283 . 18 1 1 A 27 27 VAL C C 27 175.445 173.852 1.593 1 1 284 . 18 1 1 A 28 28 ARG N N 28 122.785 122.422 0.363 1 1 285 . 18 1 1 A 28 28 ARG H H 28 8.275 8.632 -0.357 1 1 286 . 18 1 1 A 28 28 ARG CA C 28 55.407 54.900 0.507 1 1 287 . 18 1 1 A 28 28 ARG HA H 28 4.473 4.865 -0.392 1 1 288 . 18 1 1 A 28 28 ARG CB C 28 31.087 32.412 -1.325 1 1 294 . 18 1 1 A 28 28 ARG C C 28 176.528 175.000 1.528 1 1 298 . 18 1 1 A 29 29 LYS N N 29 121.704 125.203 -3.499 1 1 299 . 18 1 1 A 29 29 LYS H H 29 8.484 8.496 -0.012 1 1 300 . 18 1 1 A 29 29 LYS CA C 29 57.888 56.328 1.560 1 1 301 . 18 1 1 A 29 29 LYS HA H 29 4.170 4.328 -0.158 1 1 302 . 18 1 1 A 29 29 LYS CB C 29 32.564 31.840 0.724 1 1 310 . 18 1 1 A 29 29 LYS C C 29 177.124 176.595 0.529 1 1 315 . 18 1 1 A 30 30 GLY N N 30 109.946 113.414 -3.468 1 1 316 . 18 1 1 A 30 30 GLY H H 30 8.546 8.171 0.375 1 1 317 . 18 1 1 A 30 30 GLY CA C 30 45.408 45.972 -0.564 1 1 318 . 18 1 1 A 30 30 GLY HA3 H 30 4.060 4.072 -0.012 1 1 319 . 18 1 1 A 30 30 GLY C C 30 173.961 173.525 0.436 1 1 320 . 18 1 1 A 30 30 GLY HA2 H 30 3.981 4.056 -0.075 1 1 321 . 18 1 1 A 31 31 GLU N N 31 118.290 118.127 0.163 1 1 322 . 18 1 1 A 31 31 GLU H H 31 8.088 8.252 -0.164 1 1 323 . 18 1 1 A 31 31 GLU CA C 31 56.979 55.638 1.341 1 1 324 . 18 1 1 A 31 31 GLU HA H 31 4.418 4.699 -0.281 1 1 325 . 18 1 1 A 31 31 GLU CB C 31 31.108 30.694 0.414 1 1 329 . 18 1 1 A 31 31 GLU C C 31 176.184 175.175 1.009 1 1 332 . 18 1 1 A 32 32 ILE N N 32 121.780 124.139 -2.359 1 1 333 . 18 1 1 A 32 32 ILE H H 32 8.155 8.443 -0.288 1 1 334 . 18 1 1 A 32 32 ILE CA C 32 58.252 60.002 -1.750 1 1 335 . 18 1 1 A 32 32 ILE HA H 32 5.409 4.905 0.504 1 1 336 . 18 1 1 A 32 32 ILE CB C 32 39.008 41.679 -2.671 1 1 348 . 18 1 1 A 32 32 ILE C C 32 175.262 173.588 1.674 1 1 350 . 18 1 1 A 33 33 THR N N 33 117.063 115.980 1.083 1 1 351 . 18 1 1 A 33 33 THR H H 33 8.906 8.346 0.560 1 1 352 . 18 1 1 A 33 33 THR CA C 33 59.591 60.029 -0.438 1 1 353 . 18 1 1 A 33 33 THR HA H 33 4.707 5.285 -0.578 1 1 354 . 18 1 1 A 33 33 THR CB C 33 72.003 72.281 -0.278 1 1 360 . 18 1 1 A 33 33 THR C C 33 173.146 172.847 0.299 1 1 361 . 18 1 1 A 34 34 GLY N N 34 106.583 108.178 -1.595 1 1 362 . 18 1 1 A 34 34 GLY H H 34 8.603 8.476 0.127 1 1 363 . 18 1 1 A 34 34 GLY CA C 34 45.032 45.382 -0.350 1 1 364 . 18 1 1 A 34 34 GLY HA3 H 34 3.424 4.474 -1.050 1 1 365 . 18 1 1 A 34 34 GLY C C 34 172.260 172.263 -0.003 1 1 366 . 18 1 1 A 34 34 GLY HA2 H 34 5.351 4.470 0.881 1 1 367 . 18 1 1 A 35 35 GLU N N 35 118.818 120.232 -1.414 1 1 368 . 18 1 1 A 35 35 GLU H H 35 8.756 8.770 -0.014 1 1 369 . 18 1 1 A 35 35 GLU CA C 35 56.375 55.213 1.162 1 1 370 . 18 1 1 A 35 35 GLU HA H 35 4.739 5.080 -0.341 1 1 371 . 18 1 1 A 35 35 GLU CB C 35 34.673 33.925 0.748 1 1 375 . 18 1 1 A 35 35 GLU C C 35 173.645 174.413 -0.768 1 1 378 . 18 1 1 A 36 36 VAL N N 36 124.835 123.726 1.109 1 1 379 . 18 1 1 A 36 36 VAL H H 36 9.291 8.818 0.473 1 1 380 . 18 1 1 A 36 36 VAL CA C 36 60.780 61.010 -0.230 1 1 381 . 18 1 1 A 36 36 VAL HA H 36 4.751 5.023 -0.272 1 1 382 . 18 1 1 A 36 36 VAL CB C 36 33.990 35.437 -1.447 1 1 392 . 18 1 1 A 36 36 VAL C C 36 174.137 174.766 -0.629 1 1 393 . 18 1 1 A 37 37 HIS N N 37 126.324 125.492 0.832 1 1 394 . 18 1 1 A 37 37 HIS H H 37 9.294 9.320 -0.026 1 1 395 . 18 1 1 A 37 37 HIS CA C 37 54.625 54.571 0.054 1 1 396 . 18 1 1 A 37 37 HIS HA H 37 4.751 4.942 -0.191 1 1 397 . 18 1 1 A 37 37 HIS CB C 37 30.676 29.994 0.682 1 1 403 . 18 1 1 A 37 37 HIS C C 37 174.317 174.611 -0.294 1 1 405 . 18 1 1 A 38 38 MET N N 38 122.552 124.273 -1.721 1 1 406 . 18 1 1 A 38 38 MET H H 38 8.303 8.464 -0.161 1 1 407 . 18 1 1 A 38 38 MET CA C 38 54.086 55.120 -1.034 1 1 408 . 18 1 1 A 38 38 MET HA H 38 4.089 4.175 -0.086 1 1 409 . 18 1 1 A 38 38 MET CB C 38 32.900 32.139 0.761 1 1 417 . 18 1 1 A 38 38 MET C C 38 174.851 176.025 -1.174 1 1 420 . 18 1 1 A 39 39 PRO CA C 39 65.874 64.236 1.638 1 1 421 . 18 1 1 A 39 39 PRO HA H 39 4.156 4.336 -0.180 1 1 422 . 18 1 1 A 39 39 PRO CB C 39 31.312 31.863 -0.551 1 1 428 . 18 1 1 A 39 39 PRO C C 39 178.047 177.781 0.266 1 1 432 . 18 1 1 A 40 40 SER N N 40 111.214 111.820 -0.606 1 1 433 . 18 1 1 A 40 40 SER H H 40 8.759 7.679 1.080 1 1 434 . 18 1 1 A 40 40 SER CA C 40 59.667 58.655 1.012 1 1 435 . 18 1 1 A 40 40 SER HA H 40 4.089 4.434 -0.345 1 1 436 . 18 1 1 A 40 40 SER CB C 40 62.726 63.524 -0.798 1 1 438 . 18 1 1 A 40 40 SER C C 40 176.300 174.481 1.819 1 1 440 . 18 1 1 A 41 41 GLY N N 41 111.180 108.920 2.260 1 1 441 . 18 1 1 A 41 41 GLY H H 41 8.293 8.025 0.268 1 1 442 . 18 1 1 A 41 41 GLY CA C 41 44.624 45.110 -0.486 1 1 443 . 18 1 1 A 41 41 GLY HA3 H 41 3.620 4.016 -0.396 1 1 444 . 18 1 1 A 41 41 GLY C C 41 174.516 173.921 0.595 1 1 445 . 18 1 1 A 41 41 GLY HA2 H 41 4.447 4.011 0.436 1 1 446 . 18 1 1 A 42 42 LYS N N 42 120.452 119.218 1.234 1 1 447 . 18 1 1 A 42 42 LYS H H 42 7.038 7.832 -0.794 1 1 448 . 18 1 1 A 42 42 LYS CA C 42 56.944 54.522 2.422 1 1 449 . 18 1 1 A 42 42 LYS HA H 42 4.286 4.724 -0.438 1 1 450 . 18 1 1 A 42 42 LYS CB C 42 33.719 34.907 -1.188 1 1 457 . 18 1 1 A 42 42 LYS C C 42 175.050 175.049 0.001 1 1 462 . 18 1 1 A 43 43 THR N N 43 111.705 111.475 0.230 1 1 463 . 18 1 1 A 43 43 THR H H 43 8.110 8.755 -0.645 1 1 464 . 18 1 1 A 43 43 THR CA C 43 59.653 60.341 -0.688 1 1 465 . 18 1 1 A 43 43 THR HA H 43 5.450 5.387 0.063 1 1 466 . 18 1 1 A 43 43 THR CB C 43 71.842 72.278 -0.436 1 1 472 . 18 1 1 A 43 43 THR C C 43 174.054 173.122 0.932 1 1 473 . 18 1 1 A 44 44 ALA N N 44 123.338 122.504 0.834 1 1 474 . 18 1 1 A 44 44 ALA H H 44 8.683 8.198 0.485 1 1 475 . 18 1 1 A 44 44 ALA CA C 44 50.752 51.489 -0.737 1 1 476 . 18 1 1 A 44 44 ALA HA H 44 4.798 4.768 0.030 1 1 477 . 18 1 1 A 44 44 ALA CB C 44 24.091 22.798 1.293 1 1 481 . 18 1 1 A 44 44 ALA C C 44 175.947 175.659 0.288 1 1 482 . 18 1 1 A 45 45 THR N N 45 117.733 110.966 6.767 1 1 483 . 18 1 1 A 45 45 THR H H 45 8.934 8.450 0.484 1 1 484 . 18 1 1 A 45 45 THR CA C 45 59.517 58.870 0.647 1 1 485 . 18 1 1 A 45 45 THR HA H 45 4.894 4.746 0.148 1 1 486 . 18 1 1 A 45 45 THR CB C 45 70.403 69.883 0.520 1 1 492 . 18 1 1 A 45 45 THR C C 45 173.394 173.282 0.112 1 1 493 . 18 1 1 A 46 46 PRO CA C 46 62.017 62.178 -0.161 1 1 494 . 18 1 1 A 46 46 PRO HA H 46 4.978 4.650 0.328 1 1 495 . 18 1 1 A 46 46 PRO CB C 46 32.885 32.698 0.187 1 1 501 . 18 1 1 A 46 46 PRO C C 46 173.937 175.954 -2.017 1 1 505 . 18 1 1 A 47 47 GLU N N 47 120.450 120.818 -0.368 1 1 506 . 18 1 1 A 47 47 GLU H H 47 8.894 8.353 0.541 1 1 507 . 18 1 1 A 47 47 GLU CA C 47 56.040 55.932 0.108 1 1 508 . 18 1 1 A 47 47 GLU HA H 47 4.409 4.708 -0.299 1 1 509 . 18 1 1 A 47 47 GLU CB C 47 31.436 31.058 0.378 1 1 513 . 18 1 1 A 47 47 GLU C C 47 175.160 175.145 0.015 1 1 516 . 18 1 1 A 48 48 ILE N N 48 124.818 127.090 -2.272 1 1 517 . 18 1 1 A 48 48 ILE H H 48 8.467 8.788 -0.321 1 1 518 . 18 1 1 A 48 48 ILE CA C 48 60.408 60.930 -0.522 1 1 519 . 18 1 1 A 48 48 ILE HA H 48 4.727 4.604 0.123 1 1 520 . 18 1 1 A 48 48 ILE CB C 48 38.177 39.498 -1.321 1 1 532 . 18 1 1 A 48 48 ILE C C 48 175.681 174.832 0.849 1 1 534 . 18 1 1 A 49 49 VAL N N 49 129.411 127.425 1.986 1 1 535 . 18 1 1 A 49 49 VAL H H 49 9.417 8.770 0.647 1 1 536 . 18 1 1 A 49 49 VAL CA C 49 61.259 60.400 0.859 1 1 537 . 18 1 1 A 49 49 VAL HA H 49 4.188 4.679 -0.491 1 1 538 . 18 1 1 A 49 49 VAL CB C 49 34.719 35.692 -0.973 1 1 548 . 18 1 1 A 49 49 VAL C C 49 174.654 174.050 0.604 1 1 549 . 18 1 1 A 50 50 ASP N N 50 125.078 127.407 -2.329 1 1 550 . 18 1 1 A 50 50 ASP H H 50 8.664 8.769 -0.105 1 1 551 . 18 1 1 A 50 50 ASP CA C 50 53.899 52.715 1.184 1 1 552 . 18 1 1 A 50 50 ASP HA H 50 4.683 5.278 -0.595 1 1 553 . 18 1 1 A 50 50 ASP CB C 50 41.270 41.254 0.016 1 1 555 . 18 1 1 A 50 50 ASP C C 50 176.440 175.661 0.779 1 1 557 . 18 1 1 A 51 51 ASN N N 51 123.926 125.669 -1.743 1 1 558 . 18 1 1 A 51 51 ASN H H 51 8.212 8.933 -0.721 1 1 559 . 18 1 1 A 51 51 ASN CA C 51 53.917 53.626 0.291 1 1 560 . 18 1 1 A 51 51 ASN HA H 51 4.703 4.646 0.057 1 1 561 . 18 1 1 A 51 51 ASN CB C 51 38.667 39.579 -0.912 1 1 566 . 18 1 1 A 51 51 ASN C C 51 176.260 176.322 -0.062 1 1 568 . 18 1 1 A 52 52 LYS N N 52 115.640 123.330 -7.690 1 1 569 . 18 1 1 A 52 52 LYS H H 52 9.145 8.648 0.497 1 1 570 . 18 1 1 A 52 52 LYS CA C 52 58.127 56.860 1.267 1 1 571 . 18 1 1 A 52 52 LYS HA H 52 4.040 4.312 -0.272 1 1 572 . 18 1 1 A 52 52 LYS CB C 52 29.405 32.630 -3.225 1 1 580 . 18 1 1 A 52 52 LYS C C 52 175.471 177.679 -2.208 1 1 585 . 18 1 1 A 53 53 ASP N N 53 117.607 118.193 -0.586 1 1 586 . 18 1 1 A 53 53 ASP H H 53 7.824 7.852 -0.028 1 1 587 . 18 1 1 A 53 53 ASP CA C 53 52.598 54.008 -1.410 1 1 588 . 18 1 1 A 53 53 ASP HA H 53 4.690 4.711 -0.021 1 1 589 . 18 1 1 A 53 53 ASP CB C 53 40.929 42.212 -1.283 1 1 591 . 18 1 1 A 53 53 ASP C C 53 177.173 176.365 0.808 1 1 593 . 18 1 1 A 54 54 GLY N N 54 108.692 105.742 2.950 1 1 594 . 18 1 1 A 54 54 GLY H H 54 8.548 7.996 0.552 1 1 595 . 18 1 1 A 54 54 GLY CA C 54 45.161 44.967 0.194 1 1 596 . 18 1 1 A 54 54 GLY HA3 H 54 3.653 4.008 -0.355 1 1 597 . 18 1 1 A 54 54 GLY C C 54 173.737 173.813 -0.076 1 1 598 . 18 1 1 A 54 54 GLY HA2 H 54 4.372 4.004 0.368 1 1 599 . 18 1 1 A 55 55 THR N N 55 110.165 110.928 -0.763 1 1 600 . 18 1 1 A 55 55 THR H H 55 7.929 7.624 0.305 1 1 601 . 18 1 1 A 55 55 THR CA C 55 60.412 59.212 1.200 1 1 602 . 18 1 1 A 55 55 THR HA H 55 5.100 4.784 0.316 1 1 603 . 18 1 1 A 55 55 THR CB C 55 73.027 72.134 0.893 1 1 609 . 18 1 1 A 55 55 THR C C 55 174.206 173.577 0.629 1 1 610 . 18 1 1 A 56 56 VAL N N 56 115.822 120.276 -4.454 1 1 611 . 18 1 1 A 56 56 VAL H H 56 8.581 8.408 0.173 1 1 612 . 18 1 1 A 56 56 VAL CA C 56 59.608 60.194 -0.586 1 1 613 . 18 1 1 A 56 56 VAL HA H 56 5.132 5.307 -0.175 1 1 614 . 18 1 1 A 56 56 VAL CB C 56 35.607 34.774 0.833 1 1 624 . 18 1 1 A 56 56 VAL C C 56 174.437 174.933 -0.496 1 1 625 . 18 1 1 A 57 57 THR N N 57 120.574 121.197 -0.623 1 1 626 . 18 1 1 A 57 57 THR H H 57 9.151 8.482 0.669 1 1 627 . 18 1 1 A 57 57 THR CA C 57 61.543 61.753 -0.210 1 1 628 . 18 1 1 A 57 57 THR HA H 57 5.021 4.950 0.071 1 1 629 . 18 1 1 A 57 57 THR CB C 57 71.080 70.188 0.892 1 1 635 . 18 1 1 A 57 57 THR C C 57 173.190 173.259 -0.069 1 1 636 . 18 1 1 A 58 58 VAL N N 58 127.832 128.410 -0.578 1 1 637 . 18 1 1 A 58 58 VAL H H 58 9.296 9.368 -0.072 1 1 638 . 18 1 1 A 58 58 VAL CA C 58 61.204 61.299 -0.095 1 1 639 . 18 1 1 A 58 58 VAL HA H 58 4.774 4.922 -0.148 1 1 640 . 18 1 1 A 58 58 VAL CB C 58 32.626 32.199 0.427 1 1 650 . 18 1 1 A 58 58 VAL C C 58 173.991 174.925 -0.934 1 1 651 . 18 1 1 A 59 59 ARG N N 59 126.761 124.884 1.877 1 1 652 . 18 1 1 A 59 59 ARG H H 59 9.190 8.887 0.303 1 1 653 . 18 1 1 A 59 59 ARG CA C 59 54.384 54.123 0.261 1 1 654 . 18 1 1 A 59 59 ARG HA H 59 5.488 5.245 0.243 1 1 655 . 18 1 1 A 59 59 ARG CB C 59 34.262 33.703 0.559 1 1 661 . 18 1 1 A 59 59 ARG C C 59 174.849 173.963 0.886 1 1 665 . 18 1 1 A 60 60 TYR N N 60 123.838 122.738 1.100 1 1 666 . 18 1 1 A 60 60 TYR H H 60 9.164 8.892 0.272 1 1 667 . 18 1 1 A 60 60 TYR CA C 60 56.684 57.429 -0.745 1 1 668 . 18 1 1 A 60 60 TYR HA H 60 5.024 5.117 -0.093 1 1 669 . 18 1 1 A 60 60 TYR CB C 60 42.761 42.292 0.469 1 1 675 . 18 1 1 A 60 60 TYR C C 60 171.861 173.790 -1.929 1 1 677 . 18 1 1 A 61 61 ALA N N 61 134.382 128.781 5.601 1 1 678 . 18 1 1 A 61 61 ALA H H 61 8.023 8.487 -0.464 1 1 679 . 18 1 1 A 61 61 ALA CA C 61 47.869 48.588 -0.719 1 1 680 . 18 1 1 A 61 61 ALA HA H 61 4.670 4.405 0.265 1 1 681 . 18 1 1 A 61 61 ALA CB C 61 18.685 19.585 -0.900 1 1 685 . 18 1 1 A 61 61 ALA C C 61 172.714 175.576 -2.862 1 1 686 . 18 1 1 A 62 62 PRO CA C 62 62.455 62.335 0.120 1 1 687 . 18 1 1 A 62 62 PRO HA H 62 4.137 4.169 -0.032 1 1 688 . 18 1 1 A 62 62 PRO CB C 62 33.972 31.726 2.246 1 1 694 . 18 1 1 A 62 62 PRO C C 62 175.567 176.548 -0.981 1 1 698 . 18 1 1 A 63 63 THR N N 63 106.145 113.497 -7.352 1 1 699 . 18 1 1 A 63 63 THR H H 63 8.819 8.673 0.146 1 1 700 . 18 1 1 A 63 63 THR CA C 63 60.795 63.569 -2.774 1 1 701 . 18 1 1 A 63 63 THR HA H 63 4.278 4.457 -0.179 1 1 702 . 18 1 1 A 63 63 THR CB C 63 70.379 69.468 0.911 1 1 708 . 18 1 1 A 63 63 THR C C 63 173.771 174.457 -0.686 1 1 709 . 18 1 1 A 64 64 GLU N N 64 119.851 119.067 0.784 1 1 710 . 18 1 1 A 64 64 GLU H H 64 7.217 7.688 -0.471 1 1 711 . 18 1 1 A 64 64 GLU CA C 64 54.483 54.896 -0.413 1 1 712 . 18 1 1 A 64 64 GLU HA H 64 4.560 4.557 0.003 1 1 713 . 18 1 1 A 64 64 GLU CB C 64 33.675 32.837 0.838 1 1 717 . 18 1 1 A 64 64 GLU C C 64 173.177 175.170 -1.993 1 1 720 . 18 1 1 A 65 65 VAL N N 65 114.914 119.108 -4.194 1 1 721 . 18 1 1 A 65 65 VAL H H 65 7.740 8.283 -0.543 1 1 722 . 18 1 1 A 65 65 VAL CA C 65 61.412 60.857 0.555 1 1 723 . 18 1 1 A 65 65 VAL HA H 65 3.730 4.344 -0.614 1 1 724 . 18 1 1 A 65 65 VAL CB C 65 33.477 33.438 0.039 1 1 734 . 18 1 1 A 65 65 VAL C C 65 176.588 174.811 1.777 1 1 735 . 18 1 1 A 66 66 GLY N N 66 108.948 108.413 0.535 1 1 736 . 18 1 1 A 66 66 GLY H H 66 8.821 7.811 1.010 1 1 737 . 18 1 1 A 66 66 GLY CA C 66 43.304 43.962 -0.658 1 1 738 . 18 1 1 A 66 66 GLY HA3 H 66 4.468 3.996 0.472 1 1 739 . 18 1 1 A 66 66 GLY C C 66 175.811 171.864 3.947 1 1 740 . 18 1 1 A 66 66 GLY HA2 H 66 3.184 3.845 -0.661 1 1 741 . 18 1 1 A 67 67 LEU N N 67 126.594 122.677 3.917 1 1 742 . 18 1 1 A 67 67 LEU H H 67 9.023 8.371 0.652 1 1 743 . 18 1 1 A 67 67 LEU CA C 67 56.432 53.539 2.893 1 1 744 . 18 1 1 A 67 67 LEU HA H 67 4.137 4.914 -0.777 1 1 745 . 18 1 1 A 67 67 LEU CB C 67 41.933 43.767 -1.834 1 1 757 . 18 1 1 A 67 67 LEU C C 67 174.817 174.680 0.137 1 1 759 . 18 1 1 A 68 68 HIS N N 68 127.130 126.158 0.972 1 1 760 . 18 1 1 A 68 68 HIS H H 68 9.165 8.335 0.830 1 1 761 . 18 1 1 A 68 68 HIS CA C 68 54.518 54.145 0.373 1 1 762 . 18 1 1 A 68 68 HIS HA H 68 4.562 5.000 -0.438 1 1 763 . 18 1 1 A 68 68 HIS CB C 68 32.159 31.602 0.557 1 1 769 . 18 1 1 A 68 68 HIS C C 68 173.717 173.525 0.192 1 1 771 . 18 1 1 A 69 69 GLU N N 69 116.428 124.472 -8.044 1 1 772 . 18 1 1 A 69 69 GLU H H 69 8.096 8.743 -0.647 1 1 773 . 18 1 1 A 69 69 GLU CA C 69 54.625 55.091 -0.466 1 1 774 . 18 1 1 A 69 69 GLU HA H 69 5.274 5.138 0.136 1 1 775 . 18 1 1 A 69 69 GLU CB C 69 34.361 32.166 2.195 1 1 779 . 18 1 1 A 69 69 GLU C C 69 174.811 175.065 -0.254 1 1 782 . 18 1 1 A 70 70 MET N N 70 126.104 127.805 -1.701 1 1 783 . 18 1 1 A 70 70 MET H H 70 9.874 9.126 0.748 1 1 784 . 18 1 1 A 70 70 MET CA C 70 54.399 54.329 0.070 1 1 785 . 18 1 1 A 70 70 MET HA H 70 5.272 5.288 -0.016 1 1 786 . 18 1 1 A 70 70 MET CB C 70 36.158 34.933 1.225 1 1 794 . 18 1 1 A 70 70 MET C C 70 173.699 175.403 -1.704 1 1 797 . 18 1 1 A 71 71 HIS N N 71 129.007 122.666 6.341 1 1 798 . 18 1 1 A 71 71 HIS H H 71 9.533 9.471 0.062 1 1 799 . 18 1 1 A 71 71 HIS CA C 71 54.201 54.661 -0.460 1 1 800 . 18 1 1 A 71 71 HIS HA H 71 5.273 5.178 0.095 1 1 801 . 18 1 1 A 71 71 HIS CB C 71 33.546 32.105 1.441 1 1 807 . 18 1 1 A 71 71 HIS C C 71 174.997 174.230 0.767 1 1 809 . 18 1 1 A 72 72 ILE N N 72 126.123 123.659 2.464 1 1 810 . 18 1 1 A 72 72 ILE H H 72 9.842 9.030 0.812 1 1 811 . 18 1 1 A 72 72 ILE CA C 72 60.037 59.986 0.051 1 1 812 . 18 1 1 A 72 72 ILE HA H 72 4.885 4.899 -0.014 1 1 813 . 18 1 1 A 72 72 ILE CB C 72 40.102 40.950 -0.848 1 1 825 . 18 1 1 A 72 72 ILE C C 72 173.955 175.251 -1.296 1 1 827 . 18 1 1 A 73 73 LYS N N 73 124.414 126.287 -1.873 1 1 828 . 18 1 1 A 73 73 LYS H H 73 8.854 8.714 0.140 1 1 829 . 18 1 1 A 73 73 LYS CA C 73 54.200 55.069 -0.869 1 1 830 . 18 1 1 A 73 73 LYS HA H 73 4.964 4.951 0.013 1 1 831 . 18 1 1 A 73 73 LYS CB C 73 36.335 35.474 0.861 1 1 839 . 18 1 1 A 73 73 LYS C C 73 174.360 174.062 0.298 1 1 844 . 18 1 1 A 74 74 TYR N N 74 121.190 126.121 -4.931 1 1 845 . 18 1 1 A 74 74 TYR H H 74 8.979 9.279 -0.300 1 1 846 . 18 1 1 A 74 74 TYR CA C 74 55.271 57.585 -2.314 1 1 847 . 18 1 1 A 74 74 TYR HA H 74 5.365 4.883 0.482 1 1 848 . 18 1 1 A 74 74 TYR CB C 74 41.143 40.947 0.196 1 1 858 . 18 1 1 A 74 74 TYR C C 74 175.646 175.071 0.575 1 1 860 . 18 1 1 A 75 75 MET N N 75 125.219 126.828 -1.609 1 1 861 . 18 1 1 A 75 75 MET H H 75 9.096 9.250 -0.154 1 1 862 . 18 1 1 A 75 75 MET CA C 75 56.166 56.561 -0.395 1 1 863 . 18 1 1 A 75 75 MET HA H 75 3.920 4.037 -0.117 1 1 864 . 18 1 1 A 75 75 MET CB C 75 29.423 31.113 -1.690 1 1 872 . 18 1 1 A 75 75 MET C C 75 176.809 176.113 0.696 1 1 875 . 18 1 1 A 76 76 GLY N N 76 102.874 104.543 -1.669 1 1 876 . 18 1 1 A 76 76 GLY H H 76 8.573 8.617 -0.044 1 1 877 . 18 1 1 A 76 76 GLY CA C 76 45.421 46.455 -1.034 1 1 878 . 18 1 1 A 76 76 GLY HA3 H 76 4.221 3.917 0.304 1 1 879 . 18 1 1 A 76 76 GLY C C 76 174.014 173.612 0.402 1 1 880 . 18 1 1 A 76 76 GLY HA2 H 76 3.471 3.893 -0.422 1 1 881 . 18 1 1 A 77 77 SER N N 77 115.868 114.477 1.391 1 1 882 . 18 1 1 A 77 77 SER H H 77 7.609 7.574 0.035 1 1 883 . 18 1 1 A 77 77 SER CA C 77 56.956 57.063 -0.107 1 1 884 . 18 1 1 A 77 77 SER HA H 77 4.935 4.859 0.076 1 1 885 . 18 1 1 A 77 77 SER CB C 77 65.336 65.883 -0.547 1 1 887 . 18 1 1 A 77 77 SER C C 77 173.677 173.312 0.365 1 1 889 . 18 1 1 A 78 78 HIS N N 78 124.606 124.697 -0.091 1 1 890 . 18 1 1 A 78 78 HIS H H 78 8.751 8.858 -0.107 1 1 891 . 18 1 1 A 78 78 HIS CA C 78 59.005 57.031 1.974 1 1 892 . 18 1 1 A 78 78 HIS HA H 78 4.617 4.668 -0.051 1 1 893 . 18 1 1 A 78 78 HIS CB C 78 32.066 30.831 1.235 1 1 899 . 18 1 1 A 78 78 HIS C C 78 178.429 175.600 2.829 1 1 901 . 18 1 1 A 79 79 ILE N N 79 117.547 118.381 -0.834 1 1 902 . 18 1 1 A 79 79 ILE H H 79 8.102 7.907 0.195 1 1 903 . 18 1 1 A 79 79 ILE CA C 79 61.442 58.337 3.105 1 1 904 . 18 1 1 A 79 79 ILE HA H 79 4.737 4.546 0.191 1 1 905 . 18 1 1 A 79 79 ILE CB C 79 35.644 38.449 -2.805 1 1 917 . 18 1 1 A 79 79 ILE C C 79 174.657 176.033 -1.376 1 1 919 . 18 1 1 A 80 80 PRO CA C 80 66.398 64.290 2.108 1 1 920 . 18 1 1 A 80 80 PRO HA H 80 4.296 4.516 -0.220 1 1 921 . 18 1 1 A 80 80 PRO CB C 80 31.380 31.538 -0.158 1 1 927 . 18 1 1 A 80 80 PRO C C 80 177.763 177.564 0.199 1 1 931 . 18 1 1 A 81 81 GLU N N 81 114.279 117.367 -3.088 1 1 932 . 18 1 1 A 81 81 GLU H H 81 8.913 8.347 0.566 1 1 933 . 18 1 1 A 81 81 GLU CA C 81 58.285 57.442 0.843 1 1 934 . 18 1 1 A 81 81 GLU HA H 81 4.043 4.501 -0.458 1 1 935 . 18 1 1 A 81 81 GLU CB C 81 29.010 30.904 -1.894 1 1 939 . 18 1 1 A 81 81 GLU C C 81 174.743 175.725 -0.982 1 1 942 . 18 1 1 A 82 82 SER N N 82 112.700 114.719 -2.019 1 1 943 . 18 1 1 A 82 82 SER H H 82 7.918 7.599 0.319 1 1 944 . 18 1 1 A 82 82 SER CA C 82 54.519 55.763 -1.244 1 1 945 . 18 1 1 A 82 82 SER HA H 82 4.798 4.895 -0.097 1 1 946 . 18 1 1 A 82 82 SER CB C 82 64.077 65.569 -1.492 1 1 948 . 18 1 1 A 82 82 SER C C 82 173.394 171.649 1.745 1 1 950 . 18 1 1 A 83 83 PRO CA C 83 62.597 62.610 -0.013 1 1 951 . 18 1 1 A 83 83 PRO HA H 83 5.247 4.625 0.622 1 1 952 . 18 1 1 A 83 83 PRO CB C 83 34.681 32.654 2.027 1 1 958 . 18 1 1 A 83 83 PRO C C 83 175.783 176.195 -0.412 1 1 962 . 18 1 1 A 84 84 LEU N N 84 123.427 117.092 6.335 1 1 963 . 18 1 1 A 84 84 LEU H H 84 9.099 8.026 1.073 1 1 964 . 18 1 1 A 84 84 LEU CA C 84 54.413 52.404 2.009 1 1 965 . 18 1 1 A 84 84 LEU HA H 84 4.893 5.352 -0.459 1 1 966 . 18 1 1 A 84 84 LEU CB C 84 44.452 46.404 -1.952 1 1 978 . 18 1 1 A 84 84 LEU C C 84 176.054 175.832 0.222 1 1 980 . 18 1 1 A 85 85 GLN N N 85 122.438 118.469 3.969 1 1 981 . 18 1 1 A 85 85 GLN H H 85 8.869 8.610 0.259 1 1 982 . 18 1 1 A 85 85 GLN CA C 85 54.811 54.197 0.614 1 1 983 . 18 1 1 A 85 85 GLN HA H 85 5.359 5.370 -0.011 1 1 984 . 18 1 1 A 85 85 GLN CB C 85 30.972 32.899 -1.927 1 1 991 . 18 1 1 A 85 85 GLN C C 85 175.687 174.875 0.812 1 1 994 . 18 1 1 A 86 86 PHE N N 86 118.108 119.187 -1.079 1 1 995 . 18 1 1 A 86 86 PHE H H 86 8.483 8.278 0.205 1 1 996 . 18 1 1 A 86 86 PHE CA C 86 56.104 55.639 0.465 1 1 997 . 18 1 1 A 86 86 PHE HA H 86 4.917 5.301 -0.384 1 1 998 . 18 1 1 A 86 86 PHE CB C 86 40.732 41.848 -1.116 1 1 1010 . 18 1 1 A 86 86 PHE C C 86 171.607 172.682 -1.075 1 1 1012 . 18 1 1 A 87 87 TYR N N 87 124.521 125.624 -1.103 1 1 1013 . 18 1 1 A 87 87 TYR H H 87 9.179 9.165 0.014 1 1 1014 . 18 1 1 A 87 87 TYR CA C 87 57.832 58.775 -0.943 1 1 1015 . 18 1 1 A 87 87 TYR HA H 87 4.643 5.129 -0.486 1 1 1016 . 18 1 1 A 87 87 TYR CB C 87 40.731 39.683 1.048 1 1 1026 . 18 1 1 A 87 87 TYR C C 87 175.145 174.205 0.940 1 1 1028 . 18 1 1 A 88 88 VAL N N 88 129.828 127.109 2.719 1 1 1029 . 18 1 1 A 88 88 VAL H H 88 7.865 8.100 -0.235 1 1 1030 . 18 1 1 A 88 88 VAL CA C 88 61.875 61.477 0.398 1 1 1031 . 18 1 1 A 88 88 VAL HA H 88 4.219 4.545 -0.326 1 1 1032 . 18 1 1 A 88 88 VAL CB C 88 32.943 32.360 0.583 1 1 1042 . 18 1 1 A 88 88 VAL C C 88 174.472 174.998 -0.526 1 1 1043 . 18 1 1 A 89 89 ASN N N 89 124.798 126.238 -1.440 1 1 1044 . 18 1 1 A 89 89 ASN H H 89 8.649 8.803 -0.154 1 1 1045 . 18 1 1 A 89 89 ASN CA C 89 52.062 52.083 -0.021 1 1 1046 . 18 1 1 A 89 89 ASN HA H 89 5.024 5.290 -0.266 1 1 1047 . 18 1 1 A 89 89 ASN CB C 89 41.470 40.333 1.137 1 1 1052 . 18 1 1 A 89 89 ASN C C 89 175.232 174.660 0.572 1 1 1054 . 18 1 1 A 90 90 TYR N N 90 119.662 123.588 -3.926 1 1 1055 . 18 1 1 A 90 90 TYR H H 90 8.559 8.914 -0.355 1 1 1056 . 18 1 1 A 90 90 TYR CA C 90 58.020 57.278 0.742 1 1 1057 . 18 1 1 A 90 90 TYR HA H 90 4.485 4.714 -0.229 1 1 1058 . 18 1 1 A 90 90 TYR CB C 90 37.880 39.784 -1.904 1 1 1068 . 18 1 1 A 90 90 TYR C C 90 174.972 174.783 0.189 1 1 1070 . 18 1 1 A 91 91 PRO CA C 91 63.396 62.470 0.926 1 1 1071 . 18 1 1 A 91 91 PRO HA H 91 4.337 4.573 -0.236 1 1 1072 . 18 1 1 A 91 91 PRO CB C 91 32.028 31.236 0.792 1 1 1081 . 18 1 1 A 92 92 ASN N N 92 118.175 120.801 -2.626 1 1 1082 . 18 1 1 A 92 92 ASN H H 92 8.429 8.579 -0.150 1 1 1083 . 18 1 1 A 92 92 ASN CA C 92 53.343 53.938 -0.595 1 1 1084 . 18 1 1 A 92 92 ASN HA H 92 4.691 4.731 -0.040 1 1 1085 . 18 1 1 A 92 92 ASN CB C 92 39.000 38.434 0.566 1 1 1091 . 18 1 1 A 93 93 SER N N 93 115.984 121.120 -5.136 1 1 1092 . 18 1 1 A 93 93 SER H H 93 8.344 8.867 -0.523 1 1 1093 . 18 1 1 A 93 93 SER CA C 93 58.618 57.422 1.196 1 1 1094 . 18 1 1 A 93 93 SER HA H 93 4.474 4.895 -0.421 1 1 1095 . 18 1 1 A 93 93 SER CB C 93 63.894 64.287 -0.393 1 1 1098 . 18 1 1 A 94 94 GLY N N 94 111.442 115.345 -3.903 1 1 1099 . 18 1 1 A 94 94 GLY H H 94 8.499 9.001 -0.502 1 1 1100 . 18 1 1 A 94 94 GLY CA C 94 45.417 44.857 0.560 1 1 1101 . 18 1 1 A 94 94 GLY HA3 H 94 4.016 4.150 -0.134 1 1 1102 . 18 1 1 A 94 94 GLY C C 94 173.391 174.625 -1.234 1 1 1103 . 18 1 1 A 94 94 GLY HA2 H 94 4.016 4.143 -0.127 1 1 1 . 19 1 1 A 2 2 SER CA C 2 58.268 56.782 1.486 1 1 2 . 19 1 1 A 2 2 SER CB C 2 63.729 63.969 -0.240 1 1 3 . 19 1 1 A 2 2 SER C C 2 174.818 172.717 2.101 1 1 4 . 19 1 1 A 3 3 SER CA C 3 58.693 56.477 2.216 1 1 5 . 19 1 1 A 3 3 SER CB C 3 63.906 65.945 -2.039 1 1 6 . 19 1 1 A 3 3 SER C C 3 174.981 173.483 1.498 1 1 7 . 19 1 1 A 5 5 SER C C 5 178.688 172.862 5.826 1 1 8 . 19 1 1 A 6 6 SER CA C 6 58.453 60.597 -2.144 1 1 9 . 19 1 1 A 6 6 SER HA H 6 4.502 4.066 0.436 1 1 10 . 19 1 1 A 6 6 SER CB C 6 63.956 62.904 1.052 1 1 13 . 19 1 1 A 7 7 GLY N N 7 110.931 113.653 -2.722 1 1 14 . 19 1 1 A 7 7 GLY H H 7 8.436 8.828 -0.392 1 1 15 . 19 1 1 A 7 7 GLY CA C 7 45.357 47.143 -1.786 1 1 16 . 19 1 1 A 7 7 GLY HA3 H 7 3.979 3.891 0.088 1 1 17 . 19 1 1 A 7 7 GLY C C 7 174.128 174.995 -0.867 1 1 18 . 19 1 1 A 7 7 GLY HA2 H 7 3.979 3.890 0.089 1 1 19 . 19 1 1 A 8 8 VAL N N 8 119.070 119.871 -0.801 1 1 20 . 19 1 1 A 8 8 VAL H H 8 8.006 7.961 0.045 1 1 21 . 19 1 1 A 8 8 VAL CA C 8 62.332 62.764 -0.432 1 1 22 . 19 1 1 A 8 8 VAL HA H 8 4.180 3.884 0.296 1 1 23 . 19 1 1 A 8 8 VAL CB C 8 32.819 31.633 1.186 1 1 33 . 19 1 1 A 8 8 VAL C C 8 176.359 175.594 0.765 1 1 34 . 19 1 1 A 9 9 SER N N 9 119.223 122.944 -3.721 1 1 35 . 19 1 1 A 9 9 SER H H 9 8.418 8.667 -0.249 1 1 36 . 19 1 1 A 9 9 SER CA C 9 58.392 58.741 -0.349 1 1 37 . 19 1 1 A 9 9 SER HA H 9 4.469 4.568 -0.099 1 1 38 . 19 1 1 A 9 9 SER CB C 9 63.948 63.836 0.112 1 1 40 . 19 1 1 A 9 9 SER C C 9 174.256 174.026 0.230 1 1 42 . 19 1 1 A 10 10 ASP N N 10 122.453 124.836 -2.383 1 1 43 . 19 1 1 A 10 10 ASP H H 10 8.311 8.756 -0.445 1 1 44 . 19 1 1 A 10 10 ASP CA C 10 54.450 53.619 0.831 1 1 45 . 19 1 1 A 10 10 ASP HA H 10 4.592 5.100 -0.508 1 1 46 . 19 1 1 A 10 10 ASP CB C 10 41.174 41.203 -0.029 1 1 48 . 19 1 1 A 10 10 ASP C C 10 176.480 174.536 1.944 1 1 50 . 19 1 1 A 11 11 MET N N 11 120.428 119.109 1.319 1 1 51 . 19 1 1 A 11 11 MET H H 11 8.340 7.611 0.729 1 1 52 . 19 1 1 A 11 11 MET CA C 11 55.757 53.987 1.770 1 1 53 . 19 1 1 A 11 11 MET HA H 11 4.418 5.406 -0.988 1 1 54 . 19 1 1 A 11 11 MET CB C 11 32.457 35.322 -2.865 1 1 62 . 19 1 1 A 11 11 MET C C 11 176.391 175.361 1.030 1 1 65 . 19 1 1 A 12 12 ASN N N 12 118.914 120.490 -1.576 1 1 66 . 19 1 1 A 12 12 ASN H H 12 8.416 8.675 -0.259 1 1 67 . 19 1 1 A 12 12 ASN CA C 12 53.687 52.301 1.386 1 1 68 . 19 1 1 A 12 12 ASN HA H 12 4.660 5.011 -0.351 1 1 69 . 19 1 1 A 12 12 ASN CB C 12 38.924 41.131 -2.207 1 1 74 . 19 1 1 A 12 12 ASN C C 12 175.770 175.463 0.307 1 1 76 . 19 1 1 A 13 13 GLY N N 13 108.888 111.909 -3.021 1 1 77 . 19 1 1 A 13 13 GLY H H 13 8.317 8.918 -0.601 1 1 78 . 19 1 1 A 13 13 GLY CA C 13 45.658 45.742 -0.084 1 1 79 . 19 1 1 A 13 13 GLY HA3 H 13 3.920 3.938 -0.018 1 1 80 . 19 1 1 A 13 13 GLY C C 13 174.275 173.372 0.903 1 1 81 . 19 1 1 A 13 13 GLY HA2 H 13 3.920 3.938 -0.018 1 1 82 . 19 1 1 A 14 14 LEU N N 14 120.990 116.390 4.600 1 1 83 . 19 1 1 A 14 14 LEU H H 14 8.015 7.860 0.155 1 1 84 . 19 1 1 A 14 14 LEU CA C 14 55.074 52.868 2.206 1 1 85 . 19 1 1 A 14 14 LEU HA H 14 4.283 4.686 -0.403 1 1 86 . 19 1 1 A 14 14 LEU CB C 14 42.572 44.618 -2.046 1 1 98 . 19 1 1 A 14 14 LEU C C 14 177.365 175.398 1.967 1 1 100 . 19 1 1 A 15 15 GLY N N 15 107.853 107.999 -0.146 1 1 101 . 19 1 1 A 15 15 GLY H H 15 8.198 8.466 -0.268 1 1 102 . 19 1 1 A 15 15 GLY CA C 15 44.968 44.517 0.451 1 1 103 . 19 1 1 A 15 15 GLY HA3 H 15 3.823 4.011 -0.188 1 1 104 . 19 1 1 A 15 15 GLY C C 15 173.829 172.065 1.764 1 1 105 . 19 1 1 A 15 15 GLY HA2 H 15 3.783 3.831 -0.048 1 1 106 . 19 1 1 A 16 16 PHE N N 16 118.501 119.531 -1.030 1 1 107 . 19 1 1 A 16 16 PHE H H 16 7.868 8.266 -0.398 1 1 108 . 19 1 1 A 16 16 PHE CA C 16 57.837 56.271 1.566 1 1 109 . 19 1 1 A 16 16 PHE HA H 16 4.442 5.218 -0.776 1 1 110 . 19 1 1 A 16 16 PHE CB C 16 40.278 42.861 -2.583 1 1 122 . 19 1 1 A 16 16 PHE C C 16 176.569 174.893 1.676 1 1 124 . 19 1 1 A 17 17 LYS N N 17 126.087 123.843 2.244 1 1 125 . 19 1 1 A 17 17 LYS H H 17 8.611 8.463 0.148 1 1 126 . 19 1 1 A 17 17 LYS CA C 17 54.271 54.722 -0.451 1 1 127 . 19 1 1 A 17 17 LYS HA H 17 4.573 4.279 0.294 1 1 128 . 19 1 1 A 17 17 LYS CB C 17 32.818 33.260 -0.442 1 1 136 . 19 1 1 A 17 17 LYS C C 17 174.147 175.155 -1.008 1 1 141 . 19 1 1 A 18 18 PRO CA C 18 62.850 62.577 0.273 1 1 142 . 19 1 1 A 18 18 PRO HA H 18 4.647 4.721 -0.074 1 1 143 . 19 1 1 A 18 18 PRO CB C 18 31.990 32.740 -0.750 1 1 149 . 19 1 1 A 18 18 PRO C C 18 176.220 175.603 0.617 1 1 153 . 19 1 1 A 19 19 PHE N N 19 123.581 123.175 0.406 1 1 154 . 19 1 1 A 19 19 PHE H H 19 8.905 8.586 0.319 1 1 155 . 19 1 1 A 19 19 PHE CA C 19 57.402 56.192 1.210 1 1 156 . 19 1 1 A 19 19 PHE HA H 19 4.502 4.987 -0.485 1 1 157 . 19 1 1 A 19 19 PHE CB C 19 41.432 41.334 0.098 1 1 169 . 19 1 1 A 19 19 PHE C C 19 173.078 173.364 -0.286 1 1 171 . 19 1 1 A 20 20 ASP N N 20 126.229 125.038 1.191 1 1 172 . 19 1 1 A 20 20 ASP H H 20 7.412 8.763 -1.351 1 1 173 . 19 1 1 A 20 20 ASP CA C 20 52.686 52.945 -0.259 1 1 174 . 19 1 1 A 20 20 ASP HA H 20 5.248 4.834 0.414 1 1 175 . 19 1 1 A 20 20 ASP CB C 20 44.081 41.784 2.297 1 1 177 . 19 1 1 A 20 20 ASP C C 20 174.098 174.631 -0.533 1 1 179 . 19 1 1 A 21 21 LEU N N 21 123.421 121.726 1.695 1 1 180 . 19 1 1 A 21 21 LEU H H 21 8.641 8.669 -0.028 1 1 181 . 19 1 1 A 21 21 LEU CA C 21 54.201 53.684 0.517 1 1 182 . 19 1 1 A 21 21 LEU HA H 21 4.367 4.634 -0.267 1 1 183 . 19 1 1 A 21 21 LEU CB C 21 46.118 46.020 0.098 1 1 195 . 19 1 1 A 21 21 LEU C C 21 174.294 174.057 0.237 1 1 197 . 19 1 1 A 22 22 VAL N N 22 127.339 121.471 5.868 1 1 198 . 19 1 1 A 22 22 VAL H H 22 8.451 8.918 -0.467 1 1 199 . 19 1 1 A 22 22 VAL CA C 22 61.986 59.893 2.093 1 1 200 . 19 1 1 A 22 22 VAL HA H 22 4.572 4.928 -0.356 1 1 201 . 19 1 1 A 22 22 VAL CB C 22 32.276 34.778 -2.502 1 1 211 . 19 1 1 A 22 22 VAL C C 22 176.066 174.874 1.192 1 1 212 . 19 1 1 A 23 23 ILE N N 23 128.645 129.173 -0.528 1 1 213 . 19 1 1 A 23 23 ILE H H 23 8.998 8.002 0.996 1 1 214 . 19 1 1 A 23 23 ILE CA C 23 57.193 60.480 -3.287 1 1 215 . 19 1 1 A 23 23 ILE HA H 23 4.489 4.154 0.335 1 1 216 . 19 1 1 A 23 23 ILE CB C 23 38.455 37.590 0.865 1 1 228 . 19 1 1 A 23 23 ILE C C 23 175.434 176.501 -1.067 1 1 230 . 19 1 1 A 24 24 PRO CA C 24 63.319 65.532 -2.213 1 1 231 . 19 1 1 A 24 24 PRO HA H 24 4.600 4.386 0.214 1 1 232 . 19 1 1 A 24 24 PRO CB C 24 30.324 31.965 -1.641 1 1 238 . 19 1 1 A 24 24 PRO C C 24 174.946 176.692 -1.746 1 1 242 . 19 1 1 A 25 25 PHE N N 25 121.530 114.564 6.966 1 1 243 . 19 1 1 A 25 25 PHE H H 25 7.582 7.947 -0.365 1 1 244 . 19 1 1 A 25 25 PHE CA C 25 56.635 56.071 0.564 1 1 245 . 19 1 1 A 25 25 PHE HA H 25 4.552 4.585 -0.033 1 1 246 . 19 1 1 A 25 25 PHE CB C 25 40.977 40.722 0.255 1 1 258 . 19 1 1 A 25 25 PHE C C 25 172.831 175.035 -2.204 1 1 260 . 19 1 1 A 26 26 ALA N N 26 124.526 122.464 2.062 1 1 261 . 19 1 1 A 26 26 ALA H H 26 7.993 8.488 -0.495 1 1 262 . 19 1 1 A 26 26 ALA CA C 26 52.074 50.692 1.382 1 1 263 . 19 1 1 A 26 26 ALA HA H 26 4.221 4.631 -0.410 1 1 264 . 19 1 1 A 26 26 ALA CB C 26 18.862 20.579 -1.717 1 1 268 . 19 1 1 A 26 26 ALA C C 26 176.973 176.071 0.902 1 1 269 . 19 1 1 A 27 27 VAL N N 27 118.422 118.635 -0.213 1 1 270 . 19 1 1 A 27 27 VAL H H 27 8.046 8.383 -0.337 1 1 271 . 19 1 1 A 27 27 VAL CA C 27 61.375 59.668 1.707 1 1 272 . 19 1 1 A 27 27 VAL HA H 27 4.248 4.334 -0.086 1 1 273 . 19 1 1 A 27 27 VAL CB C 27 34.179 34.535 -0.356 1 1 283 . 19 1 1 A 27 27 VAL C C 27 175.445 173.236 2.209 1 1 284 . 19 1 1 A 28 28 ARG N N 28 122.785 122.438 0.347 1 1 285 . 19 1 1 A 28 28 ARG H H 28 8.275 8.364 -0.089 1 1 286 . 19 1 1 A 28 28 ARG CA C 28 55.407 54.701 0.706 1 1 287 . 19 1 1 A 28 28 ARG HA H 28 4.473 4.874 -0.401 1 1 288 . 19 1 1 A 28 28 ARG CB C 28 31.087 32.973 -1.886 1 1 294 . 19 1 1 A 28 28 ARG C C 28 176.528 174.886 1.642 1 1 298 . 19 1 1 A 29 29 LYS N N 29 121.704 123.958 -2.254 1 1 299 . 19 1 1 A 29 29 LYS H H 29 8.484 8.569 -0.085 1 1 300 . 19 1 1 A 29 29 LYS CA C 29 57.888 55.722 2.166 1 1 301 . 19 1 1 A 29 29 LYS HA H 29 4.170 4.513 -0.343 1 1 302 . 19 1 1 A 29 29 LYS CB C 29 32.564 31.597 0.967 1 1 310 . 19 1 1 A 29 29 LYS C C 29 177.124 176.178 0.946 1 1 315 . 19 1 1 A 30 30 GLY N N 30 109.946 113.353 -3.407 1 1 316 . 19 1 1 A 30 30 GLY H H 30 8.546 7.871 0.675 1 1 317 . 19 1 1 A 30 30 GLY CA C 30 45.408 46.083 -0.675 1 1 318 . 19 1 1 A 30 30 GLY HA3 H 30 4.060 4.052 0.008 1 1 319 . 19 1 1 A 30 30 GLY C C 30 173.961 174.853 -0.892 1 1 320 . 19 1 1 A 30 30 GLY HA2 H 30 3.981 4.038 -0.057 1 1 321 . 19 1 1 A 31 31 GLU N N 31 118.290 120.758 -2.468 1 1 322 . 19 1 1 A 31 31 GLU H H 31 8.088 8.579 -0.491 1 1 323 . 19 1 1 A 31 31 GLU CA C 31 56.979 56.220 0.759 1 1 324 . 19 1 1 A 31 31 GLU HA H 31 4.418 4.428 -0.010 1 1 325 . 19 1 1 A 31 31 GLU CB C 31 31.108 30.099 1.009 1 1 329 . 19 1 1 A 31 31 GLU C C 31 176.184 175.103 1.081 1 1 332 . 19 1 1 A 32 32 ILE N N 32 121.780 122.036 -0.256 1 1 333 . 19 1 1 A 32 32 ILE H H 32 8.155 7.471 0.684 1 1 334 . 19 1 1 A 32 32 ILE CA C 32 58.252 59.268 -1.016 1 1 335 . 19 1 1 A 32 32 ILE HA H 32 5.409 5.214 0.195 1 1 336 . 19 1 1 A 32 32 ILE CB C 32 39.008 41.910 -2.902 1 1 348 . 19 1 1 A 32 32 ILE C C 32 175.262 174.529 0.733 1 1 350 . 19 1 1 A 33 33 THR N N 33 117.063 116.371 0.692 1 1 351 . 19 1 1 A 33 33 THR H H 33 8.906 8.597 0.309 1 1 352 . 19 1 1 A 33 33 THR CA C 33 59.591 60.054 -0.463 1 1 353 . 19 1 1 A 33 33 THR HA H 33 4.707 5.168 -0.461 1 1 354 . 19 1 1 A 33 33 THR CB C 33 72.003 72.725 -0.722 1 1 360 . 19 1 1 A 33 33 THR C C 33 173.146 173.210 -0.064 1 1 361 . 19 1 1 A 34 34 GLY N N 34 106.583 108.575 -1.992 1 1 362 . 19 1 1 A 34 34 GLY H H 34 8.603 8.512 0.091 1 1 363 . 19 1 1 A 34 34 GLY CA C 34 45.032 45.783 -0.751 1 1 364 . 19 1 1 A 34 34 GLY HA3 H 34 3.424 4.308 -0.884 1 1 365 . 19 1 1 A 34 34 GLY C C 34 172.260 172.049 0.211 1 1 366 . 19 1 1 A 34 34 GLY HA2 H 34 5.351 4.306 1.045 1 1 367 . 19 1 1 A 35 35 GLU N N 35 118.818 121.276 -2.458 1 1 368 . 19 1 1 A 35 35 GLU H H 35 8.756 8.815 -0.059 1 1 369 . 19 1 1 A 35 35 GLU CA C 35 56.375 55.068 1.307 1 1 370 . 19 1 1 A 35 35 GLU HA H 35 4.739 5.084 -0.345 1 1 371 . 19 1 1 A 35 35 GLU CB C 35 34.673 33.797 0.876 1 1 375 . 19 1 1 A 35 35 GLU C C 35 173.645 174.398 -0.753 1 1 378 . 19 1 1 A 36 36 VAL N N 36 124.835 124.980 -0.145 1 1 379 . 19 1 1 A 36 36 VAL H H 36 9.291 9.008 0.283 1 1 380 . 19 1 1 A 36 36 VAL CA C 36 60.780 61.137 -0.357 1 1 381 . 19 1 1 A 36 36 VAL HA H 36 4.751 4.859 -0.108 1 1 382 . 19 1 1 A 36 36 VAL CB C 36 33.990 34.451 -0.461 1 1 392 . 19 1 1 A 36 36 VAL C C 36 174.137 174.757 -0.620 1 1 393 . 19 1 1 A 37 37 HIS N N 37 126.324 126.183 0.141 1 1 394 . 19 1 1 A 37 37 HIS H H 37 9.294 9.263 0.031 1 1 395 . 19 1 1 A 37 37 HIS CA C 37 54.625 54.599 0.026 1 1 396 . 19 1 1 A 37 37 HIS HA H 37 4.751 4.904 -0.153 1 1 397 . 19 1 1 A 37 37 HIS CB C 37 30.676 29.790 0.886 1 1 403 . 19 1 1 A 37 37 HIS C C 37 174.317 174.563 -0.246 1 1 405 . 19 1 1 A 38 38 MET N N 38 122.552 123.971 -1.419 1 1 406 . 19 1 1 A 38 38 MET H H 38 8.303 8.585 -0.282 1 1 407 . 19 1 1 A 38 38 MET CA C 38 54.086 55.133 -1.047 1 1 408 . 19 1 1 A 38 38 MET HA H 38 4.089 4.358 -0.269 1 1 409 . 19 1 1 A 38 38 MET CB C 38 32.900 32.328 0.572 1 1 417 . 19 1 1 A 38 38 MET C C 38 174.851 175.910 -1.059 1 1 420 . 19 1 1 A 39 39 PRO CA C 39 65.874 64.080 1.794 1 1 421 . 19 1 1 A 39 39 PRO HA H 39 4.156 4.370 -0.214 1 1 422 . 19 1 1 A 39 39 PRO CB C 39 31.312 31.636 -0.324 1 1 428 . 19 1 1 A 39 39 PRO C C 39 178.047 177.698 0.349 1 1 432 . 19 1 1 A 40 40 SER N N 40 111.214 111.331 -0.117 1 1 433 . 19 1 1 A 40 40 SER H H 40 8.759 7.830 0.929 1 1 434 . 19 1 1 A 40 40 SER CA C 40 59.667 58.855 0.812 1 1 435 . 19 1 1 A 40 40 SER HA H 40 4.089 4.460 -0.371 1 1 436 . 19 1 1 A 40 40 SER CB C 40 62.726 63.430 -0.704 1 1 438 . 19 1 1 A 40 40 SER C C 40 176.300 174.461 1.839 1 1 440 . 19 1 1 A 41 41 GLY N N 41 111.180 108.617 2.563 1 1 441 . 19 1 1 A 41 41 GLY H H 41 8.293 7.753 0.540 1 1 442 . 19 1 1 A 41 41 GLY CA C 41 44.624 45.052 -0.428 1 1 443 . 19 1 1 A 41 41 GLY HA3 H 41 3.620 4.028 -0.408 1 1 444 . 19 1 1 A 41 41 GLY C C 41 174.516 173.920 0.596 1 1 445 . 19 1 1 A 41 41 GLY HA2 H 41 4.447 4.025 0.422 1 1 446 . 19 1 1 A 42 42 LYS N N 42 120.452 119.374 1.078 1 1 447 . 19 1 1 A 42 42 LYS H H 42 7.038 7.841 -0.803 1 1 448 . 19 1 1 A 42 42 LYS CA C 42 56.944 54.804 2.140 1 1 449 . 19 1 1 A 42 42 LYS HA H 42 4.286 4.721 -0.435 1 1 450 . 19 1 1 A 42 42 LYS CB C 42 33.719 34.877 -1.158 1 1 457 . 19 1 1 A 42 42 LYS C C 42 175.050 175.044 0.006 1 1 462 . 19 1 1 A 43 43 THR N N 43 111.705 111.335 0.370 1 1 463 . 19 1 1 A 43 43 THR H H 43 8.110 8.695 -0.585 1 1 464 . 19 1 1 A 43 43 THR CA C 43 59.653 60.139 -0.486 1 1 465 . 19 1 1 A 43 43 THR HA H 43 5.450 5.513 -0.063 1 1 466 . 19 1 1 A 43 43 THR CB C 43 71.842 72.649 -0.807 1 1 472 . 19 1 1 A 43 43 THR C C 43 174.054 172.808 1.246 1 1 473 . 19 1 1 A 44 44 ALA N N 44 123.338 121.776 1.562 1 1 474 . 19 1 1 A 44 44 ALA H H 44 8.683 8.216 0.467 1 1 475 . 19 1 1 A 44 44 ALA CA C 44 50.752 51.594 -0.842 1 1 476 . 19 1 1 A 44 44 ALA HA H 44 4.798 4.875 -0.077 1 1 477 . 19 1 1 A 44 44 ALA CB C 44 24.091 23.052 1.039 1 1 481 . 19 1 1 A 44 44 ALA C C 44 175.947 175.809 0.138 1 1 482 . 19 1 1 A 45 45 THR N N 45 117.733 110.274 7.459 1 1 483 . 19 1 1 A 45 45 THR H H 45 8.934 8.620 0.314 1 1 484 . 19 1 1 A 45 45 THR CA C 45 59.517 58.773 0.744 1 1 485 . 19 1 1 A 45 45 THR HA H 45 4.894 4.899 -0.005 1 1 486 . 19 1 1 A 45 45 THR CB C 45 70.403 69.886 0.517 1 1 492 . 19 1 1 A 45 45 THR C C 45 173.394 173.331 0.063 1 1 493 . 19 1 1 A 46 46 PRO CA C 46 62.017 62.301 -0.284 1 1 494 . 19 1 1 A 46 46 PRO HA H 46 4.978 4.686 0.292 1 1 495 . 19 1 1 A 46 46 PRO CB C 46 32.885 32.758 0.127 1 1 501 . 19 1 1 A 46 46 PRO C C 46 173.937 176.014 -2.077 1 1 505 . 19 1 1 A 47 47 GLU N N 47 120.450 120.739 -0.289 1 1 506 . 19 1 1 A 47 47 GLU H H 47 8.894 8.631 0.263 1 1 507 . 19 1 1 A 47 47 GLU CA C 47 56.040 55.928 0.112 1 1 508 . 19 1 1 A 47 47 GLU HA H 47 4.409 4.627 -0.218 1 1 509 . 19 1 1 A 47 47 GLU CB C 47 31.436 30.627 0.809 1 1 513 . 19 1 1 A 47 47 GLU C C 47 175.160 175.008 0.152 1 1 516 . 19 1 1 A 48 48 ILE N N 48 124.818 128.074 -3.256 1 1 517 . 19 1 1 A 48 48 ILE H H 48 8.467 8.893 -0.426 1 1 518 . 19 1 1 A 48 48 ILE CA C 48 60.408 60.572 -0.164 1 1 519 . 19 1 1 A 48 48 ILE HA H 48 4.727 4.630 0.097 1 1 520 . 19 1 1 A 48 48 ILE CB C 48 38.177 39.046 -0.869 1 1 532 . 19 1 1 A 48 48 ILE C C 48 175.681 174.593 1.088 1 1 534 . 19 1 1 A 49 49 VAL N N 49 129.411 127.813 1.598 1 1 535 . 19 1 1 A 49 49 VAL H H 49 9.417 9.092 0.325 1 1 536 . 19 1 1 A 49 49 VAL CA C 49 61.259 60.642 0.617 1 1 537 . 19 1 1 A 49 49 VAL HA H 49 4.188 4.766 -0.578 1 1 538 . 19 1 1 A 49 49 VAL CB C 49 34.719 35.394 -0.675 1 1 548 . 19 1 1 A 49 49 VAL C C 49 174.654 174.001 0.653 1 1 549 . 19 1 1 A 50 50 ASP N N 50 125.078 127.365 -2.287 1 1 550 . 19 1 1 A 50 50 ASP H H 50 8.664 8.870 -0.206 1 1 551 . 19 1 1 A 50 50 ASP CA C 50 53.899 52.652 1.247 1 1 552 . 19 1 1 A 50 50 ASP HA H 50 4.683 5.332 -0.649 1 1 553 . 19 1 1 A 50 50 ASP CB C 50 41.270 41.580 -0.310 1 1 555 . 19 1 1 A 50 50 ASP C C 50 176.440 175.613 0.827 1 1 557 . 19 1 1 A 51 51 ASN N N 51 123.926 125.333 -1.407 1 1 558 . 19 1 1 A 51 51 ASN H H 51 8.212 8.457 -0.245 1 1 559 . 19 1 1 A 51 51 ASN CA C 51 53.917 53.763 0.154 1 1 560 . 19 1 1 A 51 51 ASN HA H 51 4.703 4.594 0.109 1 1 561 . 19 1 1 A 51 51 ASN CB C 51 38.667 39.535 -0.868 1 1 566 . 19 1 1 A 51 51 ASN C C 51 176.260 175.566 0.694 1 1 568 . 19 1 1 A 52 52 LYS N N 52 115.640 123.166 -7.526 1 1 569 . 19 1 1 A 52 52 LYS H H 52 9.145 8.491 0.654 1 1 570 . 19 1 1 A 52 52 LYS CA C 52 58.127 56.154 1.973 1 1 571 . 19 1 1 A 52 52 LYS HA H 52 4.040 4.388 -0.348 1 1 572 . 19 1 1 A 52 52 LYS CB C 52 29.405 32.440 -3.035 1 1 580 . 19 1 1 A 52 52 LYS C C 52 175.471 176.525 -1.054 1 1 585 . 19 1 1 A 53 53 ASP N N 53 117.607 121.019 -3.412 1 1 586 . 19 1 1 A 53 53 ASP H H 53 7.824 8.053 -0.229 1 1 587 . 19 1 1 A 53 53 ASP CA C 53 52.598 54.635 -2.037 1 1 588 . 19 1 1 A 53 53 ASP HA H 53 4.690 4.835 -0.145 1 1 589 . 19 1 1 A 53 53 ASP CB C 53 40.929 43.054 -2.125 1 1 591 . 19 1 1 A 53 53 ASP C C 53 177.173 176.428 0.745 1 1 593 . 19 1 1 A 54 54 GLY N N 54 108.692 107.204 1.488 1 1 594 . 19 1 1 A 54 54 GLY H H 54 8.548 8.126 0.422 1 1 595 . 19 1 1 A 54 54 GLY CA C 54 45.161 45.147 0.014 1 1 596 . 19 1 1 A 54 54 GLY HA3 H 54 3.653 4.003 -0.350 1 1 597 . 19 1 1 A 54 54 GLY C C 54 173.737 173.543 0.194 1 1 598 . 19 1 1 A 54 54 GLY HA2 H 54 4.372 4.000 0.372 1 1 599 . 19 1 1 A 55 55 THR N N 55 110.165 109.871 0.294 1 1 600 . 19 1 1 A 55 55 THR H H 55 7.929 7.488 0.441 1 1 601 . 19 1 1 A 55 55 THR CA C 55 60.412 59.795 0.617 1 1 602 . 19 1 1 A 55 55 THR HA H 55 5.100 4.902 0.198 1 1 603 . 19 1 1 A 55 55 THR CB C 55 73.027 72.770 0.257 1 1 609 . 19 1 1 A 55 55 THR C C 55 174.206 172.735 1.471 1 1 610 . 19 1 1 A 56 56 VAL N N 56 115.822 120.202 -4.380 1 1 611 . 19 1 1 A 56 56 VAL H H 56 8.581 8.434 0.147 1 1 612 . 19 1 1 A 56 56 VAL CA C 56 59.608 59.947 -0.339 1 1 613 . 19 1 1 A 56 56 VAL HA H 56 5.132 5.262 -0.130 1 1 614 . 19 1 1 A 56 56 VAL CB C 56 35.607 35.257 0.350 1 1 624 . 19 1 1 A 56 56 VAL C C 56 174.437 174.690 -0.253 1 1 625 . 19 1 1 A 57 57 THR N N 57 120.574 121.748 -1.174 1 1 626 . 19 1 1 A 57 57 THR H H 57 9.151 8.650 0.501 1 1 627 . 19 1 1 A 57 57 THR CA C 57 61.543 61.769 -0.226 1 1 628 . 19 1 1 A 57 57 THR HA H 57 5.021 5.083 -0.062 1 1 629 . 19 1 1 A 57 57 THR CB C 57 71.080 70.445 0.635 1 1 635 . 19 1 1 A 57 57 THR C C 57 173.190 173.241 -0.051 1 1 636 . 19 1 1 A 58 58 VAL N N 58 127.832 128.417 -0.585 1 1 637 . 19 1 1 A 58 58 VAL H H 58 9.296 9.383 -0.087 1 1 638 . 19 1 1 A 58 58 VAL CA C 58 61.204 61.281 -0.077 1 1 639 . 19 1 1 A 58 58 VAL HA H 58 4.774 5.026 -0.252 1 1 640 . 19 1 1 A 58 58 VAL CB C 58 32.626 32.871 -0.245 1 1 650 . 19 1 1 A 58 58 VAL C C 58 173.991 174.494 -0.503 1 1 651 . 19 1 1 A 59 59 ARG N N 59 126.761 124.128 2.633 1 1 652 . 19 1 1 A 59 59 ARG H H 59 9.190 9.025 0.165 1 1 653 . 19 1 1 A 59 59 ARG CA C 59 54.384 54.361 0.023 1 1 654 . 19 1 1 A 59 59 ARG HA H 59 5.488 5.349 0.139 1 1 655 . 19 1 1 A 59 59 ARG CB C 59 34.262 34.086 0.176 1 1 661 . 19 1 1 A 59 59 ARG C C 59 174.849 174.151 0.698 1 1 665 . 19 1 1 A 60 60 TYR N N 60 123.838 121.390 2.448 1 1 666 . 19 1 1 A 60 60 TYR H H 60 9.164 8.466 0.698 1 1 667 . 19 1 1 A 60 60 TYR CA C 60 56.684 58.124 -1.440 1 1 668 . 19 1 1 A 60 60 TYR HA H 60 5.024 5.009 0.015 1 1 669 . 19 1 1 A 60 60 TYR CB C 60 42.761 41.328 1.433 1 1 675 . 19 1 1 A 60 60 TYR C C 60 171.861 173.916 -2.055 1 1 677 . 19 1 1 A 61 61 ALA N N 61 134.382 131.803 2.579 1 1 678 . 19 1 1 A 61 61 ALA H H 61 8.023 8.612 -0.589 1 1 679 . 19 1 1 A 61 61 ALA CA C 61 47.869 49.402 -1.533 1 1 680 . 19 1 1 A 61 61 ALA HA H 61 4.670 4.358 0.312 1 1 681 . 19 1 1 A 61 61 ALA CB C 61 18.685 19.405 -0.720 1 1 685 . 19 1 1 A 61 61 ALA C C 61 172.714 175.910 -3.196 1 1 686 . 19 1 1 A 62 62 PRO CA C 62 62.455 62.329 0.126 1 1 687 . 19 1 1 A 62 62 PRO HA H 62 4.137 4.223 -0.086 1 1 688 . 19 1 1 A 62 62 PRO CB C 62 33.972 31.687 2.285 1 1 694 . 19 1 1 A 62 62 PRO C C 62 175.567 177.035 -1.468 1 1 698 . 19 1 1 A 63 63 THR N N 63 106.145 113.404 -7.259 1 1 699 . 19 1 1 A 63 63 THR H H 63 8.819 8.575 0.244 1 1 700 . 19 1 1 A 63 63 THR CA C 63 60.795 63.578 -2.783 1 1 701 . 19 1 1 A 63 63 THR HA H 63 4.278 4.433 -0.155 1 1 702 . 19 1 1 A 63 63 THR CB C 63 70.379 69.389 0.990 1 1 708 . 19 1 1 A 63 63 THR C C 63 173.771 174.463 -0.692 1 1 709 . 19 1 1 A 64 64 GLU N N 64 119.851 118.963 0.888 1 1 710 . 19 1 1 A 64 64 GLU H H 64 7.217 7.649 -0.432 1 1 711 . 19 1 1 A 64 64 GLU CA C 64 54.483 54.502 -0.019 1 1 712 . 19 1 1 A 64 64 GLU HA H 64 4.560 4.642 -0.082 1 1 713 . 19 1 1 A 64 64 GLU CB C 64 33.675 33.106 0.569 1 1 717 . 19 1 1 A 64 64 GLU C C 64 173.177 175.042 -1.865 1 1 720 . 19 1 1 A 65 65 VAL N N 65 114.914 118.880 -3.966 1 1 721 . 19 1 1 A 65 65 VAL H H 65 7.740 8.305 -0.565 1 1 722 . 19 1 1 A 65 65 VAL CA C 65 61.412 60.755 0.657 1 1 723 . 19 1 1 A 65 65 VAL HA H 65 3.730 4.238 -0.508 1 1 724 . 19 1 1 A 65 65 VAL CB C 65 33.477 33.365 0.112 1 1 734 . 19 1 1 A 65 65 VAL C C 65 176.588 174.886 1.702 1 1 735 . 19 1 1 A 66 66 GLY N N 66 108.948 108.586 0.362 1 1 736 . 19 1 1 A 66 66 GLY H H 66 8.821 8.036 0.785 1 1 737 . 19 1 1 A 66 66 GLY CA C 66 43.304 43.845 -0.541 1 1 738 . 19 1 1 A 66 66 GLY HA3 H 66 4.468 4.077 0.391 1 1 739 . 19 1 1 A 66 66 GLY C C 66 175.811 171.936 3.875 1 1 740 . 19 1 1 A 66 66 GLY HA2 H 66 3.184 4.045 -0.861 1 1 741 . 19 1 1 A 67 67 LEU N N 67 126.594 122.013 4.581 1 1 742 . 19 1 1 A 67 67 LEU H H 67 9.023 8.408 0.615 1 1 743 . 19 1 1 A 67 67 LEU CA C 67 56.432 53.542 2.890 1 1 744 . 19 1 1 A 67 67 LEU HA H 67 4.137 4.993 -0.856 1 1 745 . 19 1 1 A 67 67 LEU CB C 67 41.933 44.087 -2.154 1 1 757 . 19 1 1 A 67 67 LEU C C 67 174.817 174.639 0.178 1 1 759 . 19 1 1 A 68 68 HIS N N 68 127.130 125.968 1.162 1 1 760 . 19 1 1 A 68 68 HIS H H 68 9.165 8.488 0.677 1 1 761 . 19 1 1 A 68 68 HIS CA C 68 54.518 54.490 0.028 1 1 762 . 19 1 1 A 68 68 HIS HA H 68 4.562 5.102 -0.540 1 1 763 . 19 1 1 A 68 68 HIS CB C 68 32.159 32.028 0.131 1 1 769 . 19 1 1 A 68 68 HIS C C 68 173.717 173.475 0.242 1 1 771 . 19 1 1 A 69 69 GLU N N 69 116.428 123.827 -7.399 1 1 772 . 19 1 1 A 69 69 GLU H H 69 8.096 8.657 -0.561 1 1 773 . 19 1 1 A 69 69 GLU CA C 69 54.625 54.929 -0.304 1 1 774 . 19 1 1 A 69 69 GLU HA H 69 5.274 5.280 -0.006 1 1 775 . 19 1 1 A 69 69 GLU CB C 69 34.361 33.021 1.340 1 1 779 . 19 1 1 A 69 69 GLU C C 69 174.811 174.802 0.009 1 1 782 . 19 1 1 A 70 70 MET N N 70 126.104 127.748 -1.644 1 1 783 . 19 1 1 A 70 70 MET H H 70 9.874 9.282 0.592 1 1 784 . 19 1 1 A 70 70 MET CA C 70 54.399 54.175 0.224 1 1 785 . 19 1 1 A 70 70 MET HA H 70 5.272 5.342 -0.070 1 1 786 . 19 1 1 A 70 70 MET CB C 70 36.158 35.397 0.761 1 1 794 . 19 1 1 A 70 70 MET C C 70 173.699 175.243 -1.544 1 1 797 . 19 1 1 A 71 71 HIS N N 71 129.007 123.055 5.952 1 1 798 . 19 1 1 A 71 71 HIS H H 71 9.533 9.570 -0.037 1 1 799 . 19 1 1 A 71 71 HIS CA C 71 54.201 54.512 -0.311 1 1 800 . 19 1 1 A 71 71 HIS HA H 71 5.273 5.232 0.041 1 1 801 . 19 1 1 A 71 71 HIS CB C 71 33.546 31.899 1.647 1 1 807 . 19 1 1 A 71 71 HIS C C 71 174.997 173.990 1.007 1 1 809 . 19 1 1 A 72 72 ILE N N 72 126.123 123.843 2.280 1 1 810 . 19 1 1 A 72 72 ILE H H 72 9.842 9.035 0.807 1 1 811 . 19 1 1 A 72 72 ILE CA C 72 60.037 59.720 0.317 1 1 812 . 19 1 1 A 72 72 ILE HA H 72 4.885 4.929 -0.044 1 1 813 . 19 1 1 A 72 72 ILE CB C 72 40.102 40.462 -0.360 1 1 825 . 19 1 1 A 72 72 ILE C C 72 173.955 175.306 -1.351 1 1 827 . 19 1 1 A 73 73 LYS N N 73 124.414 124.752 -0.338 1 1 828 . 19 1 1 A 73 73 LYS H H 73 8.854 8.435 0.419 1 1 829 . 19 1 1 A 73 73 LYS CA C 73 54.200 54.765 -0.565 1 1 830 . 19 1 1 A 73 73 LYS HA H 73 4.964 4.982 -0.018 1 1 831 . 19 1 1 A 73 73 LYS CB C 73 36.335 35.472 0.863 1 1 839 . 19 1 1 A 73 73 LYS C C 73 174.360 174.459 -0.099 1 1 844 . 19 1 1 A 74 74 TYR N N 74 121.190 126.590 -5.400 1 1 845 . 19 1 1 A 74 74 TYR H H 74 8.979 9.274 -0.295 1 1 846 . 19 1 1 A 74 74 TYR CA C 74 55.271 57.795 -2.524 1 1 847 . 19 1 1 A 74 74 TYR HA H 74 5.365 4.800 0.565 1 1 848 . 19 1 1 A 74 74 TYR CB C 74 41.143 39.772 1.371 1 1 858 . 19 1 1 A 74 74 TYR C C 74 175.646 175.131 0.515 1 1 860 . 19 1 1 A 75 75 MET N N 75 125.219 127.079 -1.860 1 1 861 . 19 1 1 A 75 75 MET H H 75 9.096 9.442 -0.346 1 1 862 . 19 1 1 A 75 75 MET CA C 75 56.166 56.616 -0.450 1 1 863 . 19 1 1 A 75 75 MET HA H 75 3.920 4.242 -0.322 1 1 864 . 19 1 1 A 75 75 MET CB C 75 29.423 31.165 -1.742 1 1 872 . 19 1 1 A 75 75 MET C C 75 176.809 176.267 0.542 1 1 875 . 19 1 1 A 76 76 GLY N N 76 102.874 104.703 -1.829 1 1 876 . 19 1 1 A 76 76 GLY H H 76 8.573 8.631 -0.058 1 1 877 . 19 1 1 A 76 76 GLY CA C 76 45.421 45.878 -0.457 1 1 878 . 19 1 1 A 76 76 GLY HA3 H 76 4.221 3.831 0.390 1 1 879 . 19 1 1 A 76 76 GLY C C 76 174.014 173.800 0.214 1 1 880 . 19 1 1 A 76 76 GLY HA2 H 76 3.471 3.817 -0.346 1 1 881 . 19 1 1 A 77 77 SER N N 77 115.868 115.226 0.642 1 1 882 . 19 1 1 A 77 77 SER H H 77 7.609 7.553 0.056 1 1 883 . 19 1 1 A 77 77 SER CA C 77 56.956 57.556 -0.600 1 1 884 . 19 1 1 A 77 77 SER HA H 77 4.935 4.852 0.083 1 1 885 . 19 1 1 A 77 77 SER CB C 77 65.336 65.890 -0.554 1 1 887 . 19 1 1 A 77 77 SER C C 77 173.677 173.319 0.358 1 1 889 . 19 1 1 A 78 78 HIS N N 78 124.606 124.404 0.202 1 1 890 . 19 1 1 A 78 78 HIS H H 78 8.751 8.859 -0.108 1 1 891 . 19 1 1 A 78 78 HIS CA C 78 59.005 57.306 1.699 1 1 892 . 19 1 1 A 78 78 HIS HA H 78 4.617 4.792 -0.175 1 1 893 . 19 1 1 A 78 78 HIS CB C 78 32.066 30.888 1.178 1 1 899 . 19 1 1 A 78 78 HIS C C 78 178.429 175.733 2.696 1 1 901 . 19 1 1 A 79 79 ILE N N 79 117.547 119.248 -1.701 1 1 902 . 19 1 1 A 79 79 ILE H H 79 8.102 8.088 0.014 1 1 903 . 19 1 1 A 79 79 ILE CA C 79 61.442 58.823 2.619 1 1 904 . 19 1 1 A 79 79 ILE HA H 79 4.737 4.578 0.159 1 1 905 . 19 1 1 A 79 79 ILE CB C 79 35.644 38.362 -2.718 1 1 917 . 19 1 1 A 79 79 ILE C C 79 174.657 176.280 -1.623 1 1 919 . 19 1 1 A 80 80 PRO CA C 80 66.398 64.298 2.100 1 1 920 . 19 1 1 A 80 80 PRO HA H 80 4.296 4.510 -0.214 1 1 921 . 19 1 1 A 80 80 PRO CB C 80 31.380 31.510 -0.130 1 1 927 . 19 1 1 A 80 80 PRO C C 80 177.763 176.985 0.778 1 1 931 . 19 1 1 A 81 81 GLU N N 81 114.279 117.380 -3.101 1 1 932 . 19 1 1 A 81 81 GLU H H 81 8.913 8.289 0.624 1 1 933 . 19 1 1 A 81 81 GLU CA C 81 58.285 56.775 1.510 1 1 934 . 19 1 1 A 81 81 GLU HA H 81 4.043 4.538 -0.495 1 1 935 . 19 1 1 A 81 81 GLU CB C 81 29.010 30.733 -1.723 1 1 939 . 19 1 1 A 81 81 GLU C C 81 174.743 176.046 -1.303 1 1 942 . 19 1 1 A 82 82 SER N N 82 112.700 115.879 -3.179 1 1 943 . 19 1 1 A 82 82 SER H H 82 7.918 7.606 0.312 1 1 944 . 19 1 1 A 82 82 SER CA C 82 54.519 55.810 -1.291 1 1 945 . 19 1 1 A 82 82 SER HA H 82 4.798 4.905 -0.107 1 1 946 . 19 1 1 A 82 82 SER CB C 82 64.077 65.838 -1.761 1 1 948 . 19 1 1 A 82 82 SER C C 82 173.394 171.726 1.668 1 1 950 . 19 1 1 A 83 83 PRO CA C 83 62.597 62.414 0.183 1 1 951 . 19 1 1 A 83 83 PRO HA H 83 5.247 4.804 0.443 1 1 952 . 19 1 1 A 83 83 PRO CB C 83 34.681 32.676 2.005 1 1 958 . 19 1 1 A 83 83 PRO C C 83 175.783 176.159 -0.376 1 1 962 . 19 1 1 A 84 84 LEU N N 84 123.427 117.172 6.255 1 1 963 . 19 1 1 A 84 84 LEU H H 84 9.099 8.138 0.961 1 1 964 . 19 1 1 A 84 84 LEU CA C 84 54.413 52.543 1.870 1 1 965 . 19 1 1 A 84 84 LEU HA H 84 4.893 5.348 -0.455 1 1 966 . 19 1 1 A 84 84 LEU CB C 84 44.452 46.442 -1.990 1 1 978 . 19 1 1 A 84 84 LEU C C 84 176.054 175.818 0.236 1 1 980 . 19 1 1 A 85 85 GLN N N 85 122.438 118.506 3.932 1 1 981 . 19 1 1 A 85 85 GLN H H 85 8.869 8.640 0.229 1 1 982 . 19 1 1 A 85 85 GLN CA C 85 54.811 54.289 0.522 1 1 983 . 19 1 1 A 85 85 GLN HA H 85 5.359 5.389 -0.030 1 1 984 . 19 1 1 A 85 85 GLN CB C 85 30.972 32.650 -1.678 1 1 991 . 19 1 1 A 85 85 GLN C C 85 175.687 174.728 0.959 1 1 994 . 19 1 1 A 86 86 PHE N N 86 118.108 119.065 -0.957 1 1 995 . 19 1 1 A 86 86 PHE H H 86 8.483 8.404 0.079 1 1 996 . 19 1 1 A 86 86 PHE CA C 86 56.104 55.472 0.632 1 1 997 . 19 1 1 A 86 86 PHE HA H 86 4.917 5.534 -0.617 1 1 998 . 19 1 1 A 86 86 PHE CB C 86 40.732 42.030 -1.298 1 1 1010 . 19 1 1 A 86 86 PHE C C 86 171.607 172.866 -1.259 1 1 1012 . 19 1 1 A 87 87 TYR N N 87 124.521 125.403 -0.882 1 1 1013 . 19 1 1 A 87 87 TYR H H 87 9.179 9.080 0.099 1 1 1014 . 19 1 1 A 87 87 TYR CA C 87 57.832 58.985 -1.153 1 1 1015 . 19 1 1 A 87 87 TYR HA H 87 4.643 4.843 -0.200 1 1 1016 . 19 1 1 A 87 87 TYR CB C 87 40.731 39.687 1.044 1 1 1026 . 19 1 1 A 87 87 TYR C C 87 175.145 174.306 0.839 1 1 1028 . 19 1 1 A 88 88 VAL N N 88 129.828 126.775 3.053 1 1 1029 . 19 1 1 A 88 88 VAL H H 88 7.865 8.253 -0.388 1 1 1030 . 19 1 1 A 88 88 VAL CA C 88 61.875 61.354 0.521 1 1 1031 . 19 1 1 A 88 88 VAL HA H 88 4.219 4.523 -0.304 1 1 1032 . 19 1 1 A 88 88 VAL CB C 88 32.943 31.590 1.353 1 1 1042 . 19 1 1 A 88 88 VAL C C 88 174.472 175.097 -0.625 1 1 1043 . 19 1 1 A 89 89 ASN N N 89 124.798 125.891 -1.093 1 1 1044 . 19 1 1 A 89 89 ASN H H 89 8.649 8.652 -0.003 1 1 1045 . 19 1 1 A 89 89 ASN CA C 89 52.062 53.110 -1.048 1 1 1046 . 19 1 1 A 89 89 ASN HA H 89 5.024 4.810 0.214 1 1 1047 . 19 1 1 A 89 89 ASN CB C 89 41.470 39.133 2.337 1 1 1052 . 19 1 1 A 89 89 ASN C C 89 175.232 175.038 0.194 1 1 1054 . 19 1 1 A 90 90 TYR N N 90 119.662 124.136 -4.474 1 1 1055 . 19 1 1 A 90 90 TYR H H 90 8.559 8.840 -0.281 1 1 1056 . 19 1 1 A 90 90 TYR CA C 90 58.020 57.265 0.755 1 1 1057 . 19 1 1 A 90 90 TYR HA H 90 4.485 4.858 -0.373 1 1 1058 . 19 1 1 A 90 90 TYR CB C 90 37.880 39.977 -2.097 1 1 1068 . 19 1 1 A 90 90 TYR C C 90 174.972 174.587 0.385 1 1 1070 . 19 1 1 A 91 91 PRO CA C 91 63.396 62.492 0.904 1 1 1071 . 19 1 1 A 91 91 PRO HA H 91 4.337 4.316 0.021 1 1 1072 . 19 1 1 A 91 91 PRO CB C 91 32.028 31.654 0.374 1 1 1081 . 19 1 1 A 92 92 ASN N N 92 118.175 121.009 -2.834 1 1 1082 . 19 1 1 A 92 92 ASN H H 92 8.429 8.403 0.026 1 1 1083 . 19 1 1 A 92 92 ASN CA C 92 53.343 51.804 1.539 1 1 1084 . 19 1 1 A 92 92 ASN HA H 92 4.691 5.033 -0.342 1 1 1085 . 19 1 1 A 92 92 ASN CB C 92 39.000 39.537 -0.537 1 1 1091 . 19 1 1 A 93 93 SER N N 93 115.984 118.843 -2.859 1 1 1092 . 19 1 1 A 93 93 SER H H 93 8.344 8.558 -0.214 1 1 1093 . 19 1 1 A 93 93 SER CA C 93 58.618 56.863 1.755 1 1 1094 . 19 1 1 A 93 93 SER HA H 93 4.474 5.197 -0.723 1 1 1095 . 19 1 1 A 93 93 SER CB C 93 63.894 64.616 -0.722 1 1 1098 . 19 1 1 A 94 94 GLY N N 94 111.442 112.255 -0.813 1 1 1099 . 19 1 1 A 94 94 GLY H H 94 8.499 8.770 -0.271 1 1 1100 . 19 1 1 A 94 94 GLY CA C 94 45.417 46.681 -1.264 1 1 1101 . 19 1 1 A 94 94 GLY HA3 H 94 4.016 3.876 0.140 1 1 1102 . 19 1 1 A 94 94 GLY C C 94 173.391 174.177 -0.786 1 1 1103 . 19 1 1 A 94 94 GLY HA2 H 94 4.016 3.870 0.146 1 1 1 . 20 1 1 A 2 2 SER CA C 2 58.268 61.267 -2.999 1 1 2 . 20 1 1 A 2 2 SER CB C 2 63.729 63.105 0.624 1 1 3 . 20 1 1 A 2 2 SER C C 2 174.818 174.907 -0.089 1 1 4 . 20 1 1 A 3 3 SER CA C 3 58.693 59.061 -0.368 1 1 5 . 20 1 1 A 3 3 SER CB C 3 63.906 61.592 2.314 1 1 6 . 20 1 1 A 3 3 SER C C 3 174.981 173.395 1.586 1 1 7 . 20 1 1 A 5 5 SER C C 5 178.688 173.035 5.653 1 1 8 . 20 1 1 A 6 6 SER CA C 6 58.453 57.430 1.023 1 1 9 . 20 1 1 A 6 6 SER HA H 6 4.502 5.004 -0.502 1 1 10 . 20 1 1 A 6 6 SER CB C 6 63.956 65.476 -1.520 1 1 13 . 20 1 1 A 7 7 GLY N N 7 110.931 114.349 -3.418 1 1 14 . 20 1 1 A 7 7 GLY H H 7 8.436 8.986 -0.550 1 1 15 . 20 1 1 A 7 7 GLY CA C 7 45.357 46.706 -1.349 1 1 16 . 20 1 1 A 7 7 GLY HA3 H 7 3.979 3.890 0.089 1 1 17 . 20 1 1 A 7 7 GLY C C 7 174.128 173.304 0.824 1 1 18 . 20 1 1 A 7 7 GLY HA2 H 7 3.979 3.889 0.090 1 1 19 . 20 1 1 A 8 8 VAL N N 8 119.070 119.186 -0.116 1 1 20 . 20 1 1 A 8 8 VAL H H 8 8.006 7.385 0.621 1 1 21 . 20 1 1 A 8 8 VAL CA C 8 62.332 60.533 1.799 1 1 22 . 20 1 1 A 8 8 VAL HA H 8 4.180 4.741 -0.561 1 1 23 . 20 1 1 A 8 8 VAL CB C 8 32.819 36.384 -3.565 1 1 33 . 20 1 1 A 8 8 VAL C C 8 176.359 173.744 2.615 1 1 34 . 20 1 1 A 9 9 SER N N 9 119.223 119.732 -0.509 1 1 35 . 20 1 1 A 9 9 SER H H 9 8.418 8.868 -0.450 1 1 36 . 20 1 1 A 9 9 SER CA C 9 58.392 56.047 2.345 1 1 37 . 20 1 1 A 9 9 SER HA H 9 4.469 4.918 -0.449 1 1 38 . 20 1 1 A 9 9 SER CB C 9 63.948 65.517 -1.569 1 1 40 . 20 1 1 A 9 9 SER C C 9 174.256 173.450 0.806 1 1 42 . 20 1 1 A 10 10 ASP N N 10 122.453 124.738 -2.285 1 1 43 . 20 1 1 A 10 10 ASP H H 10 8.311 8.916 -0.605 1 1 44 . 20 1 1 A 10 10 ASP CA C 10 54.450 55.505 -1.055 1 1 45 . 20 1 1 A 10 10 ASP HA H 10 4.592 4.882 -0.290 1 1 46 . 20 1 1 A 10 10 ASP CB C 10 41.174 42.683 -1.509 1 1 48 . 20 1 1 A 10 10 ASP C C 10 176.480 176.996 -0.516 1 1 50 . 20 1 1 A 11 11 MET N N 11 120.428 118.976 1.452 1 1 51 . 20 1 1 A 11 11 MET H H 11 8.340 8.118 0.222 1 1 52 . 20 1 1 A 11 11 MET CA C 11 55.757 58.702 -2.945 1 1 53 . 20 1 1 A 11 11 MET HA H 11 4.418 4.020 0.398 1 1 54 . 20 1 1 A 11 11 MET CB C 11 32.457 32.020 0.437 1 1 62 . 20 1 1 A 11 11 MET C C 11 176.391 175.712 0.679 1 1 65 . 20 1 1 A 12 12 ASN N N 12 118.914 113.502 5.412 1 1 66 . 20 1 1 A 12 12 ASN H H 12 8.416 7.791 0.625 1 1 67 . 20 1 1 A 12 12 ASN CA C 12 53.687 52.112 1.575 1 1 68 . 20 1 1 A 12 12 ASN HA H 12 4.660 4.935 -0.275 1 1 69 . 20 1 1 A 12 12 ASN CB C 12 38.924 40.386 -1.462 1 1 74 . 20 1 1 A 12 12 ASN C C 12 175.770 175.319 0.451 1 1 76 . 20 1 1 A 13 13 GLY N N 13 108.888 107.193 1.695 1 1 77 . 20 1 1 A 13 13 GLY H H 13 8.317 8.378 -0.061 1 1 78 . 20 1 1 A 13 13 GLY CA C 13 45.658 46.042 -0.384 1 1 79 . 20 1 1 A 13 13 GLY HA3 H 13 3.920 3.926 -0.006 1 1 80 . 20 1 1 A 13 13 GLY C C 13 174.275 172.906 1.369 1 1 81 . 20 1 1 A 13 13 GLY HA2 H 13 3.920 3.925 -0.005 1 1 82 . 20 1 1 A 14 14 LEU N N 14 120.990 120.813 0.177 1 1 83 . 20 1 1 A 14 14 LEU H H 14 8.015 8.296 -0.281 1 1 84 . 20 1 1 A 14 14 LEU CA C 14 55.074 52.655 2.419 1 1 85 . 20 1 1 A 14 14 LEU HA H 14 4.283 5.059 -0.776 1 1 86 . 20 1 1 A 14 14 LEU CB C 14 42.572 45.553 -2.981 1 1 98 . 20 1 1 A 14 14 LEU C C 14 177.365 175.199 2.166 1 1 100 . 20 1 1 A 15 15 GLY N N 15 107.853 107.699 0.154 1 1 101 . 20 1 1 A 15 15 GLY H H 15 8.198 8.204 -0.006 1 1 102 . 20 1 1 A 15 15 GLY CA C 15 44.968 45.950 -0.982 1 1 103 . 20 1 1 A 15 15 GLY HA3 H 15 3.823 4.108 -0.285 1 1 104 . 20 1 1 A 15 15 GLY C C 15 173.829 171.833 1.996 1 1 105 . 20 1 1 A 15 15 GLY HA2 H 15 3.783 4.013 -0.230 1 1 106 . 20 1 1 A 16 16 PHE N N 16 118.501 117.639 0.862 1 1 107 . 20 1 1 A 16 16 PHE H H 16 7.868 8.052 -0.184 1 1 108 . 20 1 1 A 16 16 PHE CA C 16 57.837 56.470 1.367 1 1 109 . 20 1 1 A 16 16 PHE HA H 16 4.442 5.255 -0.813 1 1 110 . 20 1 1 A 16 16 PHE CB C 16 40.278 42.975 -2.697 1 1 122 . 20 1 1 A 16 16 PHE C C 16 176.569 174.468 2.101 1 1 124 . 20 1 1 A 17 17 LYS N N 17 126.087 122.744 3.343 1 1 125 . 20 1 1 A 17 17 LYS H H 17 8.611 8.488 0.123 1 1 126 . 20 1 1 A 17 17 LYS CA C 17 54.271 55.101 -0.830 1 1 127 . 20 1 1 A 17 17 LYS HA H 17 4.573 4.304 0.269 1 1 128 . 20 1 1 A 17 17 LYS CB C 17 32.818 33.206 -0.388 1 1 136 . 20 1 1 A 17 17 LYS C C 17 174.147 175.140 -0.993 1 1 141 . 20 1 1 A 18 18 PRO CA C 18 62.850 62.546 0.304 1 1 142 . 20 1 1 A 18 18 PRO HA H 18 4.647 4.707 -0.060 1 1 143 . 20 1 1 A 18 18 PRO CB C 18 31.990 32.699 -0.709 1 1 149 . 20 1 1 A 18 18 PRO C C 18 176.220 175.710 0.510 1 1 153 . 20 1 1 A 19 19 PHE N N 19 123.581 123.780 -0.199 1 1 154 . 20 1 1 A 19 19 PHE H H 19 8.905 8.658 0.247 1 1 155 . 20 1 1 A 19 19 PHE CA C 19 57.402 56.552 0.850 1 1 156 . 20 1 1 A 19 19 PHE HA H 19 4.502 5.024 -0.522 1 1 157 . 20 1 1 A 19 19 PHE CB C 19 41.432 40.898 0.534 1 1 169 . 20 1 1 A 19 19 PHE C C 19 173.078 173.532 -0.454 1 1 171 . 20 1 1 A 20 20 ASP N N 20 126.229 125.480 0.749 1 1 172 . 20 1 1 A 20 20 ASP H H 20 7.412 8.866 -1.454 1 1 173 . 20 1 1 A 20 20 ASP CA C 20 52.686 52.588 0.098 1 1 174 . 20 1 1 A 20 20 ASP HA H 20 5.248 5.069 0.179 1 1 175 . 20 1 1 A 20 20 ASP CB C 20 44.081 42.262 1.819 1 1 177 . 20 1 1 A 20 20 ASP C C 20 174.098 174.539 -0.441 1 1 179 . 20 1 1 A 21 21 LEU N N 21 123.421 122.646 0.775 1 1 180 . 20 1 1 A 21 21 LEU H H 21 8.641 8.269 0.372 1 1 181 . 20 1 1 A 21 21 LEU CA C 21 54.201 54.006 0.195 1 1 182 . 20 1 1 A 21 21 LEU HA H 21 4.367 4.662 -0.295 1 1 183 . 20 1 1 A 21 21 LEU CB C 21 46.118 46.007 0.111 1 1 195 . 20 1 1 A 21 21 LEU C C 21 174.294 173.833 0.461 1 1 197 . 20 1 1 A 22 22 VAL N N 22 127.339 122.770 4.569 1 1 198 . 20 1 1 A 22 22 VAL H H 22 8.451 9.046 -0.595 1 1 199 . 20 1 1 A 22 22 VAL CA C 22 61.986 59.847 2.139 1 1 200 . 20 1 1 A 22 22 VAL HA H 22 4.572 4.998 -0.426 1 1 201 . 20 1 1 A 22 22 VAL CB C 22 32.276 34.418 -2.142 1 1 211 . 20 1 1 A 22 22 VAL C C 22 176.066 174.953 1.113 1 1 212 . 20 1 1 A 23 23 ILE N N 23 128.645 129.215 -0.570 1 1 213 . 20 1 1 A 23 23 ILE H H 23 8.998 8.664 0.334 1 1 214 . 20 1 1 A 23 23 ILE CA C 23 57.193 60.243 -3.050 1 1 215 . 20 1 1 A 23 23 ILE HA H 23 4.489 4.146 0.343 1 1 216 . 20 1 1 A 23 23 ILE CB C 23 38.455 37.524 0.931 1 1 228 . 20 1 1 A 23 23 ILE C C 23 175.434 176.489 -1.055 1 1 230 . 20 1 1 A 24 24 PRO CA C 24 63.319 65.255 -1.936 1 1 231 . 20 1 1 A 24 24 PRO HA H 24 4.600 4.392 0.208 1 1 232 . 20 1 1 A 24 24 PRO CB C 24 30.324 32.049 -1.725 1 1 238 . 20 1 1 A 24 24 PRO C C 24 174.946 176.510 -1.564 1 1 242 . 20 1 1 A 25 25 PHE N N 25 121.530 113.724 7.806 1 1 243 . 20 1 1 A 25 25 PHE H H 25 7.582 7.875 -0.293 1 1 244 . 20 1 1 A 25 25 PHE CA C 25 56.635 55.596 1.039 1 1 245 . 20 1 1 A 25 25 PHE HA H 25 4.552 4.724 -0.172 1 1 246 . 20 1 1 A 25 25 PHE CB C 25 40.977 40.960 0.017 1 1 258 . 20 1 1 A 25 25 PHE C C 25 172.831 175.191 -2.360 1 1 260 . 20 1 1 A 26 26 ALA N N 26 124.526 122.698 1.828 1 1 261 . 20 1 1 A 26 26 ALA H H 26 7.993 8.387 -0.394 1 1 262 . 20 1 1 A 26 26 ALA CA C 26 52.074 51.263 0.811 1 1 263 . 20 1 1 A 26 26 ALA HA H 26 4.221 4.423 -0.202 1 1 264 . 20 1 1 A 26 26 ALA CB C 26 18.862 20.113 -1.251 1 1 268 . 20 1 1 A 26 26 ALA C C 26 176.973 176.456 0.517 1 1 269 . 20 1 1 A 27 27 VAL N N 27 118.422 118.856 -0.434 1 1 270 . 20 1 1 A 27 27 VAL H H 27 8.046 8.265 -0.219 1 1 271 . 20 1 1 A 27 27 VAL CA C 27 61.375 59.382 1.993 1 1 272 . 20 1 1 A 27 27 VAL HA H 27 4.248 4.323 -0.075 1 1 273 . 20 1 1 A 27 27 VAL CB C 27 34.179 34.749 -0.570 1 1 283 . 20 1 1 A 27 27 VAL C C 27 175.445 173.629 1.816 1 1 284 . 20 1 1 A 28 28 ARG N N 28 122.785 125.325 -2.540 1 1 285 . 20 1 1 A 28 28 ARG H H 28 8.275 8.101 0.174 1 1 286 . 20 1 1 A 28 28 ARG CA C 28 55.407 54.810 0.597 1 1 287 . 20 1 1 A 28 28 ARG HA H 28 4.473 4.824 -0.351 1 1 288 . 20 1 1 A 28 28 ARG CB C 28 31.087 32.393 -1.306 1 1 294 . 20 1 1 A 28 28 ARG C C 28 176.528 174.592 1.936 1 1 298 . 20 1 1 A 29 29 LYS N N 29 121.704 123.895 -2.191 1 1 299 . 20 1 1 A 29 29 LYS H H 29 8.484 8.602 -0.118 1 1 300 . 20 1 1 A 29 29 LYS CA C 29 57.888 55.947 1.941 1 1 301 . 20 1 1 A 29 29 LYS HA H 29 4.170 4.574 -0.404 1 1 302 . 20 1 1 A 29 29 LYS CB C 29 32.564 32.846 -0.282 1 1 310 . 20 1 1 A 29 29 LYS C C 29 177.124 176.413 0.711 1 1 315 . 20 1 1 A 30 30 GLY N N 30 109.946 112.603 -2.657 1 1 316 . 20 1 1 A 30 30 GLY H H 30 8.546 8.229 0.317 1 1 317 . 20 1 1 A 30 30 GLY CA C 30 45.408 45.845 -0.437 1 1 318 . 20 1 1 A 30 30 GLY HA3 H 30 4.060 4.021 0.039 1 1 319 . 20 1 1 A 30 30 GLY C C 30 173.961 174.913 -0.952 1 1 320 . 20 1 1 A 30 30 GLY HA2 H 30 3.981 4.011 -0.030 1 1 321 . 20 1 1 A 31 31 GLU N N 31 118.290 119.407 -1.117 1 1 322 . 20 1 1 A 31 31 GLU H H 31 8.088 8.428 -0.340 1 1 323 . 20 1 1 A 31 31 GLU CA C 31 56.979 56.131 0.848 1 1 324 . 20 1 1 A 31 31 GLU HA H 31 4.418 4.457 -0.039 1 1 325 . 20 1 1 A 31 31 GLU CB C 31 31.108 30.075 1.033 1 1 329 . 20 1 1 A 31 31 GLU C C 31 176.184 175.114 1.070 1 1 332 . 20 1 1 A 32 32 ILE N N 32 121.780 122.016 -0.236 1 1 333 . 20 1 1 A 32 32 ILE H H 32 8.155 7.496 0.659 1 1 334 . 20 1 1 A 32 32 ILE CA C 32 58.252 59.115 -0.863 1 1 335 . 20 1 1 A 32 32 ILE HA H 32 5.409 5.196 0.213 1 1 336 . 20 1 1 A 32 32 ILE CB C 32 39.008 42.316 -3.308 1 1 348 . 20 1 1 A 32 32 ILE C C 32 175.262 174.343 0.919 1 1 350 . 20 1 1 A 33 33 THR N N 33 117.063 115.444 1.619 1 1 351 . 20 1 1 A 33 33 THR H H 33 8.906 8.547 0.359 1 1 352 . 20 1 1 A 33 33 THR CA C 33 59.591 59.898 -0.307 1 1 353 . 20 1 1 A 33 33 THR HA H 33 4.707 5.265 -0.558 1 1 354 . 20 1 1 A 33 33 THR CB C 33 72.003 72.545 -0.542 1 1 360 . 20 1 1 A 33 33 THR C C 33 173.146 173.064 0.082 1 1 361 . 20 1 1 A 34 34 GLY N N 34 106.583 108.030 -1.447 1 1 362 . 20 1 1 A 34 34 GLY H H 34 8.603 8.458 0.145 1 1 363 . 20 1 1 A 34 34 GLY CA C 34 45.032 45.437 -0.405 1 1 364 . 20 1 1 A 34 34 GLY HA3 H 34 3.424 4.434 -1.010 1 1 365 . 20 1 1 A 34 34 GLY C C 34 172.260 172.187 0.073 1 1 366 . 20 1 1 A 34 34 GLY HA2 H 34 5.351 4.428 0.923 1 1 367 . 20 1 1 A 35 35 GLU N N 35 118.818 121.385 -2.567 1 1 368 . 20 1 1 A 35 35 GLU H H 35 8.756 8.887 -0.131 1 1 369 . 20 1 1 A 35 35 GLU CA C 35 56.375 55.181 1.194 1 1 370 . 20 1 1 A 35 35 GLU HA H 35 4.739 5.087 -0.348 1 1 371 . 20 1 1 A 35 35 GLU CB C 35 34.673 33.886 0.787 1 1 375 . 20 1 1 A 35 35 GLU C C 35 173.645 174.521 -0.876 1 1 378 . 20 1 1 A 36 36 VAL N N 36 124.835 123.128 1.707 1 1 379 . 20 1 1 A 36 36 VAL H H 36 9.291 8.691 0.600 1 1 380 . 20 1 1 A 36 36 VAL CA C 36 60.780 61.005 -0.225 1 1 381 . 20 1 1 A 36 36 VAL HA H 36 4.751 4.859 -0.108 1 1 382 . 20 1 1 A 36 36 VAL CB C 36 33.990 35.112 -1.122 1 1 392 . 20 1 1 A 36 36 VAL C C 36 174.137 174.718 -0.581 1 1 393 . 20 1 1 A 37 37 HIS N N 37 126.324 125.535 0.789 1 1 394 . 20 1 1 A 37 37 HIS H H 37 9.294 9.144 0.150 1 1 395 . 20 1 1 A 37 37 HIS CA C 37 54.625 54.873 -0.248 1 1 396 . 20 1 1 A 37 37 HIS HA H 37 4.751 5.211 -0.460 1 1 397 . 20 1 1 A 37 37 HIS CB C 37 30.676 31.417 -0.741 1 1 403 . 20 1 1 A 37 37 HIS C C 37 174.317 174.530 -0.213 1 1 405 . 20 1 1 A 38 38 MET N N 38 122.552 123.923 -1.371 1 1 406 . 20 1 1 A 38 38 MET H H 38 8.303 8.928 -0.625 1 1 407 . 20 1 1 A 38 38 MET CA C 38 54.086 54.714 -0.628 1 1 408 . 20 1 1 A 38 38 MET HA H 38 4.089 4.342 -0.253 1 1 409 . 20 1 1 A 38 38 MET CB C 38 32.900 32.148 0.752 1 1 417 . 20 1 1 A 38 38 MET C C 38 174.851 175.978 -1.127 1 1 420 . 20 1 1 A 39 39 PRO CA C 39 65.874 64.146 1.728 1 1 421 . 20 1 1 A 39 39 PRO HA H 39 4.156 4.346 -0.190 1 1 422 . 20 1 1 A 39 39 PRO CB C 39 31.312 31.779 -0.467 1 1 428 . 20 1 1 A 39 39 PRO C C 39 178.047 177.663 0.384 1 1 432 . 20 1 1 A 40 40 SER N N 40 111.214 111.870 -0.656 1 1 433 . 20 1 1 A 40 40 SER H H 40 8.759 7.761 0.998 1 1 434 . 20 1 1 A 40 40 SER CA C 40 59.667 58.671 0.996 1 1 435 . 20 1 1 A 40 40 SER HA H 40 4.089 4.468 -0.379 1 1 436 . 20 1 1 A 40 40 SER CB C 40 62.726 63.588 -0.862 1 1 438 . 20 1 1 A 40 40 SER C C 40 176.300 174.497 1.803 1 1 440 . 20 1 1 A 41 41 GLY N N 41 111.180 109.050 2.130 1 1 441 . 20 1 1 A 41 41 GLY H H 41 8.293 7.726 0.567 1 1 442 . 20 1 1 A 41 41 GLY CA C 41 44.624 45.077 -0.453 1 1 443 . 20 1 1 A 41 41 GLY HA3 H 41 3.620 4.027 -0.407 1 1 444 . 20 1 1 A 41 41 GLY C C 41 174.516 173.876 0.640 1 1 445 . 20 1 1 A 41 41 GLY HA2 H 41 4.447 4.023 0.424 1 1 446 . 20 1 1 A 42 42 LYS N N 42 120.452 119.563 0.889 1 1 447 . 20 1 1 A 42 42 LYS H H 42 7.038 7.752 -0.714 1 1 448 . 20 1 1 A 42 42 LYS CA C 42 56.944 54.339 2.605 1 1 449 . 20 1 1 A 42 42 LYS HA H 42 4.286 4.790 -0.504 1 1 450 . 20 1 1 A 42 42 LYS CB C 42 33.719 35.272 -1.553 1 1 457 . 20 1 1 A 42 42 LYS C C 42 175.050 175.120 -0.070 1 1 462 . 20 1 1 A 43 43 THR N N 43 111.705 112.043 -0.338 1 1 463 . 20 1 1 A 43 43 THR H H 43 8.110 8.904 -0.794 1 1 464 . 20 1 1 A 43 43 THR CA C 43 59.653 59.679 -0.026 1 1 465 . 20 1 1 A 43 43 THR HA H 43 5.450 5.374 0.076 1 1 466 . 20 1 1 A 43 43 THR CB C 43 71.842 72.236 -0.394 1 1 472 . 20 1 1 A 43 43 THR C C 43 174.054 173.065 0.989 1 1 473 . 20 1 1 A 44 44 ALA N N 44 123.338 121.660 1.678 1 1 474 . 20 1 1 A 44 44 ALA H H 44 8.683 8.368 0.315 1 1 475 . 20 1 1 A 44 44 ALA CA C 44 50.752 51.782 -1.030 1 1 476 . 20 1 1 A 44 44 ALA HA H 44 4.798 4.909 -0.111 1 1 477 . 20 1 1 A 44 44 ALA CB C 44 24.091 23.197 0.894 1 1 481 . 20 1 1 A 44 44 ALA C C 44 175.947 175.879 0.068 1 1 482 . 20 1 1 A 45 45 THR N N 45 117.733 111.210 6.523 1 1 483 . 20 1 1 A 45 45 THR H H 45 8.934 8.617 0.317 1 1 484 . 20 1 1 A 45 45 THR CA C 45 59.517 59.124 0.393 1 1 485 . 20 1 1 A 45 45 THR HA H 45 4.894 4.883 0.011 1 1 486 . 20 1 1 A 45 45 THR CB C 45 70.403 69.921 0.482 1 1 492 . 20 1 1 A 45 45 THR C C 45 173.394 173.755 -0.361 1 1 493 . 20 1 1 A 46 46 PRO CA C 46 62.017 62.354 -0.337 1 1 494 . 20 1 1 A 46 46 PRO HA H 46 4.978 4.830 0.148 1 1 495 . 20 1 1 A 46 46 PRO CB C 46 32.885 33.231 -0.346 1 1 501 . 20 1 1 A 46 46 PRO C C 46 173.937 175.693 -1.756 1 1 505 . 20 1 1 A 47 47 GLU N N 47 120.450 120.701 -0.251 1 1 506 . 20 1 1 A 47 47 GLU H H 47 8.894 8.951 -0.057 1 1 507 . 20 1 1 A 47 47 GLU CA C 47 56.040 55.181 0.859 1 1 508 . 20 1 1 A 47 47 GLU HA H 47 4.409 4.754 -0.345 1 1 509 . 20 1 1 A 47 47 GLU CB C 47 31.436 31.845 -0.409 1 1 513 . 20 1 1 A 47 47 GLU C C 47 175.160 175.043 0.117 1 1 516 . 20 1 1 A 48 48 ILE N N 48 124.818 127.968 -3.150 1 1 517 . 20 1 1 A 48 48 ILE H H 48 8.467 8.925 -0.458 1 1 518 . 20 1 1 A 48 48 ILE CA C 48 60.408 59.931 0.477 1 1 519 . 20 1 1 A 48 48 ILE HA H 48 4.727 4.715 0.012 1 1 520 . 20 1 1 A 48 48 ILE CB C 48 38.177 37.917 0.260 1 1 532 . 20 1 1 A 48 48 ILE C C 48 175.681 174.965 0.716 1 1 534 . 20 1 1 A 49 49 VAL N N 49 129.411 127.696 1.715 1 1 535 . 20 1 1 A 49 49 VAL H H 49 9.417 8.676 0.741 1 1 536 . 20 1 1 A 49 49 VAL CA C 49 61.259 60.695 0.564 1 1 537 . 20 1 1 A 49 49 VAL HA H 49 4.188 4.626 -0.438 1 1 538 . 20 1 1 A 49 49 VAL CB C 49 34.719 34.854 -0.135 1 1 548 . 20 1 1 A 49 49 VAL C C 49 174.654 173.807 0.847 1 1 549 . 20 1 1 A 50 50 ASP N N 50 125.078 127.894 -2.816 1 1 550 . 20 1 1 A 50 50 ASP H H 50 8.664 8.829 -0.165 1 1 551 . 20 1 1 A 50 50 ASP CA C 50 53.899 52.651 1.248 1 1 552 . 20 1 1 A 50 50 ASP HA H 50 4.683 5.083 -0.400 1 1 553 . 20 1 1 A 50 50 ASP CB C 50 41.270 41.611 -0.341 1 1 555 . 20 1 1 A 50 50 ASP C C 50 176.440 175.645 0.795 1 1 557 . 20 1 1 A 51 51 ASN N N 51 123.926 125.788 -1.862 1 1 558 . 20 1 1 A 51 51 ASN H H 51 8.212 8.676 -0.464 1 1 559 . 20 1 1 A 51 51 ASN CA C 51 53.917 53.745 0.172 1 1 560 . 20 1 1 A 51 51 ASN HA H 51 4.703 4.621 0.082 1 1 561 . 20 1 1 A 51 51 ASN CB C 51 38.667 39.475 -0.808 1 1 566 . 20 1 1 A 51 51 ASN C C 51 176.260 175.575 0.685 1 1 568 . 20 1 1 A 52 52 LYS N N 52 115.640 122.808 -7.168 1 1 569 . 20 1 1 A 52 52 LYS H H 52 9.145 8.615 0.530 1 1 570 . 20 1 1 A 52 52 LYS CA C 52 58.127 55.616 2.511 1 1 571 . 20 1 1 A 52 52 LYS HA H 52 4.040 4.526 -0.486 1 1 572 . 20 1 1 A 52 52 LYS CB C 52 29.405 32.817 -3.412 1 1 580 . 20 1 1 A 52 52 LYS C C 52 175.471 176.775 -1.304 1 1 585 . 20 1 1 A 53 53 ASP N N 53 117.607 120.320 -2.713 1 1 586 . 20 1 1 A 53 53 ASP H H 53 7.824 8.297 -0.473 1 1 587 . 20 1 1 A 53 53 ASP CA C 53 52.598 55.701 -3.103 1 1 588 . 20 1 1 A 53 53 ASP HA H 53 4.690 4.869 -0.179 1 1 589 . 20 1 1 A 53 53 ASP CB C 53 40.929 43.450 -2.521 1 1 591 . 20 1 1 A 53 53 ASP C C 53 177.173 176.326 0.847 1 1 593 . 20 1 1 A 54 54 GLY N N 54 108.692 106.591 2.101 1 1 594 . 20 1 1 A 54 54 GLY H H 54 8.548 7.606 0.942 1 1 595 . 20 1 1 A 54 54 GLY CA C 54 45.161 45.036 0.125 1 1 596 . 20 1 1 A 54 54 GLY HA3 H 54 3.653 4.025 -0.372 1 1 597 . 20 1 1 A 54 54 GLY C C 54 173.737 173.551 0.186 1 1 598 . 20 1 1 A 54 54 GLY HA2 H 54 4.372 4.019 0.353 1 1 599 . 20 1 1 A 55 55 THR N N 55 110.165 110.000 0.165 1 1 600 . 20 1 1 A 55 55 THR H H 55 7.929 7.627 0.302 1 1 601 . 20 1 1 A 55 55 THR CA C 55 60.412 59.844 0.568 1 1 602 . 20 1 1 A 55 55 THR HA H 55 5.100 4.933 0.167 1 1 603 . 20 1 1 A 55 55 THR CB C 55 73.027 72.825 0.202 1 1 609 . 20 1 1 A 55 55 THR C C 55 174.206 172.502 1.704 1 1 610 . 20 1 1 A 56 56 VAL N N 56 115.822 120.416 -4.594 1 1 611 . 20 1 1 A 56 56 VAL H H 56 8.581 8.466 0.115 1 1 612 . 20 1 1 A 56 56 VAL CA C 56 59.608 59.900 -0.292 1 1 613 . 20 1 1 A 56 56 VAL HA H 56 5.132 5.345 -0.213 1 1 614 . 20 1 1 A 56 56 VAL CB C 56 35.607 35.122 0.485 1 1 624 . 20 1 1 A 56 56 VAL C C 56 174.437 174.883 -0.446 1 1 625 . 20 1 1 A 57 57 THR N N 57 120.574 121.457 -0.883 1 1 626 . 20 1 1 A 57 57 THR H H 57 9.151 8.914 0.237 1 1 627 . 20 1 1 A 57 57 THR CA C 57 61.543 61.634 -0.091 1 1 628 . 20 1 1 A 57 57 THR HA H 57 5.021 4.996 0.025 1 1 629 . 20 1 1 A 57 57 THR CB C 57 71.080 70.716 0.364 1 1 635 . 20 1 1 A 57 57 THR C C 57 173.190 173.362 -0.172 1 1 636 . 20 1 1 A 58 58 VAL N N 58 127.832 128.046 -0.214 1 1 637 . 20 1 1 A 58 58 VAL H H 58 9.296 9.388 -0.092 1 1 638 . 20 1 1 A 58 58 VAL CA C 58 61.204 62.006 -0.802 1 1 639 . 20 1 1 A 58 58 VAL HA H 58 4.774 4.840 -0.066 1 1 640 . 20 1 1 A 58 58 VAL CB C 58 32.626 31.019 1.607 1 1 650 . 20 1 1 A 58 58 VAL C C 58 173.991 174.831 -0.840 1 1 651 . 20 1 1 A 59 59 ARG N N 59 126.761 129.063 -2.302 1 1 652 . 20 1 1 A 59 59 ARG H H 59 9.190 8.961 0.229 1 1 653 . 20 1 1 A 59 59 ARG CA C 59 54.384 54.357 0.027 1 1 654 . 20 1 1 A 59 59 ARG HA H 59 5.488 5.410 0.078 1 1 655 . 20 1 1 A 59 59 ARG CB C 59 34.262 32.644 1.618 1 1 661 . 20 1 1 A 59 59 ARG C C 59 174.849 174.405 0.444 1 1 665 . 20 1 1 A 60 60 TYR N N 60 123.838 127.399 -3.561 1 1 666 . 20 1 1 A 60 60 TYR H H 60 9.164 8.710 0.454 1 1 667 . 20 1 1 A 60 60 TYR CA C 60 56.684 58.094 -1.410 1 1 668 . 20 1 1 A 60 60 TYR HA H 60 5.024 4.995 0.029 1 1 669 . 20 1 1 A 60 60 TYR CB C 60 42.761 40.948 1.813 1 1 675 . 20 1 1 A 60 60 TYR C C 60 171.861 174.102 -2.241 1 1 677 . 20 1 1 A 61 61 ALA N N 61 134.382 130.841 3.541 1 1 678 . 20 1 1 A 61 61 ALA H H 61 8.023 8.637 -0.614 1 1 679 . 20 1 1 A 61 61 ALA CA C 61 47.869 49.508 -1.639 1 1 680 . 20 1 1 A 61 61 ALA HA H 61 4.670 4.364 0.306 1 1 681 . 20 1 1 A 61 61 ALA CB C 61 18.685 19.255 -0.570 1 1 685 . 20 1 1 A 61 61 ALA C C 61 172.714 175.672 -2.958 1 1 686 . 20 1 1 A 62 62 PRO CA C 62 62.455 62.570 -0.115 1 1 687 . 20 1 1 A 62 62 PRO HA H 62 4.137 4.430 -0.293 1 1 688 . 20 1 1 A 62 62 PRO CB C 62 33.972 32.652 1.320 1 1 694 . 20 1 1 A 62 62 PRO C C 62 175.567 176.863 -1.296 1 1 698 . 20 1 1 A 63 63 THR N N 63 106.145 113.987 -7.842 1 1 699 . 20 1 1 A 63 63 THR H H 63 8.819 8.903 -0.084 1 1 700 . 20 1 1 A 63 63 THR CA C 63 60.795 62.430 -1.635 1 1 701 . 20 1 1 A 63 63 THR HA H 63 4.278 4.579 -0.301 1 1 702 . 20 1 1 A 63 63 THR CB C 63 70.379 70.205 0.174 1 1 708 . 20 1 1 A 63 63 THR C C 63 173.771 174.411 -0.640 1 1 709 . 20 1 1 A 64 64 GLU N N 64 119.851 119.518 0.333 1 1 710 . 20 1 1 A 64 64 GLU H H 64 7.217 7.986 -0.769 1 1 711 . 20 1 1 A 64 64 GLU CA C 64 54.483 55.216 -0.733 1 1 712 . 20 1 1 A 64 64 GLU HA H 64 4.560 5.046 -0.486 1 1 713 . 20 1 1 A 64 64 GLU CB C 64 33.675 33.509 0.166 1 1 717 . 20 1 1 A 64 64 GLU C C 64 173.177 175.304 -2.127 1 1 720 . 20 1 1 A 65 65 VAL N N 65 114.914 119.282 -4.368 1 1 721 . 20 1 1 A 65 65 VAL H H 65 7.740 8.416 -0.676 1 1 722 . 20 1 1 A 65 65 VAL CA C 65 61.412 61.065 0.347 1 1 723 . 20 1 1 A 65 65 VAL HA H 65 3.730 4.058 -0.328 1 1 724 . 20 1 1 A 65 65 VAL CB C 65 33.477 33.322 0.155 1 1 734 . 20 1 1 A 65 65 VAL C C 65 176.588 174.881 1.707 1 1 735 . 20 1 1 A 66 66 GLY N N 66 108.948 108.654 0.294 1 1 736 . 20 1 1 A 66 66 GLY H H 66 8.821 7.818 1.003 1 1 737 . 20 1 1 A 66 66 GLY CA C 66 43.304 43.446 -0.142 1 1 738 . 20 1 1 A 66 66 GLY HA3 H 66 4.468 3.986 0.482 1 1 739 . 20 1 1 A 66 66 GLY C C 66 175.811 172.145 3.666 1 1 740 . 20 1 1 A 66 66 GLY HA2 H 66 3.184 3.956 -0.772 1 1 741 . 20 1 1 A 67 67 LEU N N 67 126.594 121.858 4.736 1 1 742 . 20 1 1 A 67 67 LEU H H 67 9.023 8.380 0.643 1 1 743 . 20 1 1 A 67 67 LEU CA C 67 56.432 53.671 2.761 1 1 744 . 20 1 1 A 67 67 LEU HA H 67 4.137 4.887 -0.750 1 1 745 . 20 1 1 A 67 67 LEU CB C 67 41.933 44.024 -2.091 1 1 757 . 20 1 1 A 67 67 LEU C C 67 174.817 174.583 0.234 1 1 759 . 20 1 1 A 68 68 HIS N N 68 127.130 125.830 1.300 1 1 760 . 20 1 1 A 68 68 HIS H H 68 9.165 8.492 0.673 1 1 761 . 20 1 1 A 68 68 HIS CA C 68 54.518 54.246 0.272 1 1 762 . 20 1 1 A 68 68 HIS HA H 68 4.562 5.230 -0.668 1 1 763 . 20 1 1 A 68 68 HIS CB C 68 32.159 32.164 -0.005 1 1 769 . 20 1 1 A 68 68 HIS C C 68 173.717 173.448 0.269 1 1 771 . 20 1 1 A 69 69 GLU N N 69 116.428 123.884 -7.456 1 1 772 . 20 1 1 A 69 69 GLU H H 69 8.096 8.680 -0.584 1 1 773 . 20 1 1 A 69 69 GLU CA C 69 54.625 54.997 -0.372 1 1 774 . 20 1 1 A 69 69 GLU HA H 69 5.274 5.150 0.124 1 1 775 . 20 1 1 A 69 69 GLU CB C 69 34.361 32.714 1.647 1 1 779 . 20 1 1 A 69 69 GLU C C 69 174.811 175.072 -0.261 1 1 782 . 20 1 1 A 70 70 MET N N 70 126.104 127.785 -1.681 1 1 783 . 20 1 1 A 70 70 MET H H 70 9.874 8.958 0.916 1 1 784 . 20 1 1 A 70 70 MET CA C 70 54.399 54.411 -0.012 1 1 785 . 20 1 1 A 70 70 MET HA H 70 5.272 5.213 0.059 1 1 786 . 20 1 1 A 70 70 MET CB C 70 36.158 34.642 1.516 1 1 794 . 20 1 1 A 70 70 MET C C 70 173.699 175.398 -1.699 1 1 797 . 20 1 1 A 71 71 HIS N N 71 129.007 122.585 6.422 1 1 798 . 20 1 1 A 71 71 HIS H H 71 9.533 9.263 0.270 1 1 799 . 20 1 1 A 71 71 HIS CA C 71 54.201 54.778 -0.577 1 1 800 . 20 1 1 A 71 71 HIS HA H 71 5.273 5.364 -0.091 1 1 801 . 20 1 1 A 71 71 HIS CB C 71 33.546 32.124 1.422 1 1 807 . 20 1 1 A 71 71 HIS C C 71 174.997 174.405 0.592 1 1 809 . 20 1 1 A 72 72 ILE N N 72 126.123 123.623 2.500 1 1 810 . 20 1 1 A 72 72 ILE H H 72 9.842 9.414 0.428 1 1 811 . 20 1 1 A 72 72 ILE CA C 72 60.037 59.946 0.091 1 1 812 . 20 1 1 A 72 72 ILE HA H 72 4.885 5.051 -0.166 1 1 813 . 20 1 1 A 72 72 ILE CB C 72 40.102 40.783 -0.681 1 1 825 . 20 1 1 A 72 72 ILE C C 72 173.955 175.297 -1.342 1 1 827 . 20 1 1 A 73 73 LYS N N 73 124.414 125.974 -1.560 1 1 828 . 20 1 1 A 73 73 LYS H H 73 8.854 8.684 0.170 1 1 829 . 20 1 1 A 73 73 LYS CA C 73 54.200 55.139 -0.939 1 1 830 . 20 1 1 A 73 73 LYS HA H 73 4.964 4.948 0.016 1 1 831 . 20 1 1 A 73 73 LYS CB C 73 36.335 35.453 0.882 1 1 839 . 20 1 1 A 73 73 LYS C C 73 174.360 174.116 0.244 1 1 844 . 20 1 1 A 74 74 TYR N N 74 121.190 126.335 -5.145 1 1 845 . 20 1 1 A 74 74 TYR H H 74 8.979 9.088 -0.109 1 1 846 . 20 1 1 A 74 74 TYR CA C 74 55.271 57.717 -2.446 1 1 847 . 20 1 1 A 74 74 TYR HA H 74 5.365 4.920 0.445 1 1 848 . 20 1 1 A 74 74 TYR CB C 74 41.143 40.720 0.423 1 1 858 . 20 1 1 A 74 74 TYR C C 74 175.646 175.014 0.632 1 1 860 . 20 1 1 A 75 75 MET N N 75 125.219 127.198 -1.979 1 1 861 . 20 1 1 A 75 75 MET H H 75 9.096 9.355 -0.259 1 1 862 . 20 1 1 A 75 75 MET CA C 75 56.166 56.632 -0.466 1 1 863 . 20 1 1 A 75 75 MET HA H 75 3.920 4.099 -0.179 1 1 864 . 20 1 1 A 75 75 MET CB C 75 29.423 31.109 -1.686 1 1 872 . 20 1 1 A 75 75 MET C C 75 176.809 176.347 0.462 1 1 875 . 20 1 1 A 76 76 GLY N N 76 102.874 104.544 -1.670 1 1 876 . 20 1 1 A 76 76 GLY H H 76 8.573 8.636 -0.063 1 1 877 . 20 1 1 A 76 76 GLY CA C 76 45.421 46.182 -0.761 1 1 878 . 20 1 1 A 76 76 GLY HA3 H 76 4.221 3.901 0.320 1 1 879 . 20 1 1 A 76 76 GLY C C 76 174.014 173.939 0.075 1 1 880 . 20 1 1 A 76 76 GLY HA2 H 76 3.471 3.887 -0.416 1 1 881 . 20 1 1 A 77 77 SER N N 77 115.868 115.187 0.681 1 1 882 . 20 1 1 A 77 77 SER H H 77 7.609 7.657 -0.048 1 1 883 . 20 1 1 A 77 77 SER CA C 77 56.956 57.682 -0.726 1 1 884 . 20 1 1 A 77 77 SER HA H 77 4.935 4.808 0.127 1 1 885 . 20 1 1 A 77 77 SER CB C 77 65.336 65.734 -0.398 1 1 887 . 20 1 1 A 77 77 SER C C 77 173.677 173.117 0.560 1 1 889 . 20 1 1 A 78 78 HIS N N 78 124.606 124.701 -0.095 1 1 890 . 20 1 1 A 78 78 HIS H H 78 8.751 9.122 -0.371 1 1 891 . 20 1 1 A 78 78 HIS CA C 78 59.005 56.904 2.101 1 1 892 . 20 1 1 A 78 78 HIS HA H 78 4.617 4.698 -0.081 1 1 893 . 20 1 1 A 78 78 HIS CB C 78 32.066 29.852 2.214 1 1 899 . 20 1 1 A 78 78 HIS C C 78 178.429 175.733 2.696 1 1 901 . 20 1 1 A 79 79 ILE N N 79 117.547 122.769 -5.222 1 1 902 . 20 1 1 A 79 79 ILE H H 79 8.102 8.549 -0.447 1 1 903 . 20 1 1 A 79 79 ILE CA C 79 61.442 59.605 1.837 1 1 904 . 20 1 1 A 79 79 ILE HA H 79 4.737 4.413 0.324 1 1 905 . 20 1 1 A 79 79 ILE CB C 79 35.644 37.593 -1.949 1 1 917 . 20 1 1 A 79 79 ILE C C 79 174.657 176.549 -1.892 1 1 919 . 20 1 1 A 80 80 PRO CA C 80 66.398 64.305 2.093 1 1 920 . 20 1 1 A 80 80 PRO HA H 80 4.296 4.536 -0.240 1 1 921 . 20 1 1 A 80 80 PRO CB C 80 31.380 31.504 -0.124 1 1 927 . 20 1 1 A 80 80 PRO C C 80 177.763 177.538 0.225 1 1 931 . 20 1 1 A 81 81 GLU N N 81 114.279 117.593 -3.314 1 1 932 . 20 1 1 A 81 81 GLU H H 81 8.913 8.388 0.525 1 1 933 . 20 1 1 A 81 81 GLU CA C 81 58.285 56.939 1.346 1 1 934 . 20 1 1 A 81 81 GLU HA H 81 4.043 4.578 -0.535 1 1 935 . 20 1 1 A 81 81 GLU CB C 81 29.010 31.237 -2.227 1 1 939 . 20 1 1 A 81 81 GLU C C 81 174.743 175.936 -1.193 1 1 942 . 20 1 1 A 82 82 SER N N 82 112.700 113.664 -0.964 1 1 943 . 20 1 1 A 82 82 SER H H 82 7.918 7.620 0.298 1 1 944 . 20 1 1 A 82 82 SER CA C 82 54.519 54.960 -0.441 1 1 945 . 20 1 1 A 82 82 SER HA H 82 4.798 4.870 -0.072 1 1 946 . 20 1 1 A 82 82 SER CB C 82 64.077 66.077 -2.000 1 1 948 . 20 1 1 A 82 82 SER C C 82 173.394 172.046 1.348 1 1 950 . 20 1 1 A 83 83 PRO CA C 83 62.597 62.279 0.318 1 1 951 . 20 1 1 A 83 83 PRO HA H 83 5.247 4.810 0.437 1 1 952 . 20 1 1 A 83 83 PRO CB C 83 34.681 32.836 1.845 1 1 958 . 20 1 1 A 83 83 PRO C C 83 175.783 175.709 0.074 1 1 962 . 20 1 1 A 84 84 LEU N N 84 123.427 116.444 6.983 1 1 963 . 20 1 1 A 84 84 LEU H H 84 9.099 8.066 1.033 1 1 964 . 20 1 1 A 84 84 LEU CA C 84 54.413 52.673 1.740 1 1 965 . 20 1 1 A 84 84 LEU HA H 84 4.893 5.189 -0.296 1 1 966 . 20 1 1 A 84 84 LEU CB C 84 44.452 46.375 -1.923 1 1 978 . 20 1 1 A 84 84 LEU C C 84 176.054 175.251 0.803 1 1 980 . 20 1 1 A 85 85 GLN N N 85 122.438 118.679 3.759 1 1 981 . 20 1 1 A 85 85 GLN H H 85 8.869 8.472 0.397 1 1 982 . 20 1 1 A 85 85 GLN CA C 85 54.811 54.174 0.637 1 1 983 . 20 1 1 A 85 85 GLN HA H 85 5.359 5.211 0.148 1 1 984 . 20 1 1 A 85 85 GLN CB C 85 30.972 32.115 -1.143 1 1 991 . 20 1 1 A 85 85 GLN C C 85 175.687 174.935 0.752 1 1 994 . 20 1 1 A 86 86 PHE N N 86 118.108 119.433 -1.325 1 1 995 . 20 1 1 A 86 86 PHE H H 86 8.483 8.396 0.087 1 1 996 . 20 1 1 A 86 86 PHE CA C 86 56.104 56.001 0.103 1 1 997 . 20 1 1 A 86 86 PHE HA H 86 4.917 5.290 -0.373 1 1 998 . 20 1 1 A 86 86 PHE CB C 86 40.732 41.660 -0.928 1 1 1010 . 20 1 1 A 86 86 PHE C C 86 171.607 172.449 -0.842 1 1 1012 . 20 1 1 A 87 87 TYR N N 87 124.521 125.651 -1.130 1 1 1013 . 20 1 1 A 87 87 TYR H H 87 9.179 9.201 -0.022 1 1 1014 . 20 1 1 A 87 87 TYR CA C 87 57.832 58.016 -0.184 1 1 1015 . 20 1 1 A 87 87 TYR HA H 87 4.643 4.910 -0.267 1 1 1016 . 20 1 1 A 87 87 TYR CB C 87 40.731 39.925 0.806 1 1 1026 . 20 1 1 A 87 87 TYR C C 87 175.145 174.093 1.052 1 1 1028 . 20 1 1 A 88 88 VAL N N 88 129.828 126.187 3.641 1 1 1029 . 20 1 1 A 88 88 VAL H H 88 7.865 7.845 0.020 1 1 1030 . 20 1 1 A 88 88 VAL CA C 88 61.875 61.427 0.448 1 1 1031 . 20 1 1 A 88 88 VAL HA H 88 4.219 4.466 -0.247 1 1 1032 . 20 1 1 A 88 88 VAL CB C 88 32.943 32.304 0.639 1 1 1042 . 20 1 1 A 88 88 VAL C C 88 174.472 175.353 -0.881 1 1 1043 . 20 1 1 A 89 89 ASN N N 89 124.798 126.337 -1.539 1 1 1044 . 20 1 1 A 89 89 ASN H H 89 8.649 8.688 -0.039 1 1 1045 . 20 1 1 A 89 89 ASN CA C 89 52.062 53.194 -1.132 1 1 1046 . 20 1 1 A 89 89 ASN HA H 89 5.024 4.900 0.124 1 1 1047 . 20 1 1 A 89 89 ASN CB C 89 41.470 39.106 2.364 1 1 1052 . 20 1 1 A 89 89 ASN C C 89 175.232 174.152 1.080 1 1 1054 . 20 1 1 A 90 90 TYR N N 90 119.662 124.116 -4.454 1 1 1055 . 20 1 1 A 90 90 TYR H H 90 8.559 8.861 -0.302 1 1 1056 . 20 1 1 A 90 90 TYR CA C 90 58.020 56.163 1.857 1 1 1057 . 20 1 1 A 90 90 TYR HA H 90 4.485 5.416 -0.931 1 1 1058 . 20 1 1 A 90 90 TYR CB C 90 37.880 42.056 -4.176 1 1 1068 . 20 1 1 A 90 90 TYR C C 90 174.972 173.980 0.992 1 1 1070 . 20 1 1 A 91 91 PRO CA C 91 63.396 62.211 1.185 1 1 1071 . 20 1 1 A 91 91 PRO HA H 91 4.337 4.593 -0.256 1 1 1072 . 20 1 1 A 91 91 PRO CB C 91 32.028 31.278 0.750 1 1 1081 . 20 1 1 A 92 92 ASN N N 92 118.175 121.336 -3.161 1 1 1082 . 20 1 1 A 92 92 ASN H H 92 8.429 8.565 -0.136 1 1 1083 . 20 1 1 A 92 92 ASN CA C 92 53.343 52.632 0.711 1 1 1084 . 20 1 1 A 92 92 ASN HA H 92 4.691 5.023 -0.332 1 1 1085 . 20 1 1 A 92 92 ASN CB C 92 39.000 37.761 1.239 1 1 1091 . 20 1 1 A 93 93 SER N N 93 115.984 116.926 -0.942 1 1 1092 . 20 1 1 A 93 93 SER H H 93 8.344 7.603 0.741 1 1 1093 . 20 1 1 A 93 93 SER CA C 93 58.618 60.003 -1.385 1 1 1094 . 20 1 1 A 93 93 SER HA H 93 4.474 4.249 0.225 1 1 1095 . 20 1 1 A 93 93 SER CB C 93 63.894 63.752 0.142 1 1 1098 . 20 1 1 A 94 94 GLY N N 94 111.442 111.789 -0.347 1 1 1099 . 20 1 1 A 94 94 GLY H H 94 8.499 8.357 0.142 1 1 1100 . 20 1 1 A 94 94 GLY CA C 94 45.417 45.464 -0.047 1 1 1101 . 20 1 1 A 94 94 GLY HA3 H 94 4.016 4.234 -0.218 1 1 1102 . 20 1 1 A 94 94 GLY C C 94 173.391 172.905 0.486 1 1 1103 . 20 1 1 A 94 94 GLY HA2 H 94 4.016 4.225 -0.209 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 88 1.262 1 2 1 1 1 "RMS(OBS, PRED)" CA 91 1.213 1 3 1 1 1 "RMS(OBS, PRED)" CB 81 1.338 1 4 1 1 1 "RMS(OBS, PRED)" H 80 0.507 1 5 1 1 1 "RMS(OBS, PRED)" HA 99 0.340 1 6 1 1 1 "RMS(OBS, PRED)" N 80 3.273 1 7 1 2 1 "RMS(OBS, PRED)" C 88 1.250 1 8 1 2 1 "RMS(OBS, PRED)" CA 91 1.331 1 9 1 2 1 "RMS(OBS, PRED)" CB 81 1.376 1 10 1 2 1 "RMS(OBS, PRED)" H 80 0.528 1 11 1 2 1 "RMS(OBS, PRED)" HA 99 0.377 1 12 1 2 1 "RMS(OBS, PRED)" N 80 3.041 1 13 1 3 1 "RMS(OBS, PRED)" C 88 1.275 1 14 1 3 1 "RMS(OBS, PRED)" CA 91 1.305 1 15 1 3 1 "RMS(OBS, PRED)" CB 81 1.444 1 16 1 3 1 "RMS(OBS, PRED)" H 80 0.492 1 17 1 3 1 "RMS(OBS, PRED)" HA 99 0.355 1 18 1 3 1 "RMS(OBS, PRED)" N 80 3.087 1 19 1 4 1 "RMS(OBS, PRED)" C 88 1.286 1 20 1 4 1 "RMS(OBS, PRED)" CA 91 1.126 1 21 1 4 1 "RMS(OBS, PRED)" CB 81 1.333 1 22 1 4 1 "RMS(OBS, PRED)" H 80 0.464 1 23 1 4 1 "RMS(OBS, PRED)" HA 99 0.364 1 24 1 4 1 "RMS(OBS, PRED)" N 80 3.367 1 25 1 5 1 "RMS(OBS, PRED)" C 88 1.356 1 26 1 5 1 "RMS(OBS, PRED)" CA 91 1.242 1 27 1 5 1 "RMS(OBS, PRED)" CB 81 1.427 1 28 1 5 1 "RMS(OBS, PRED)" H 80 0.494 1 29 1 5 1 "RMS(OBS, PRED)" HA 99 0.378 1 30 1 5 1 "RMS(OBS, PRED)" N 80 3.016 1 31 1 6 1 "RMS(OBS, PRED)" C 88 1.336 1 32 1 6 1 "RMS(OBS, PRED)" CA 91 1.263 1 33 1 6 1 "RMS(OBS, PRED)" CB 81 1.599 1 34 1 6 1 "RMS(OBS, PRED)" H 80 0.501 1 35 1 6 1 "RMS(OBS, PRED)" HA 99 0.398 1 36 1 6 1 "RMS(OBS, PRED)" N 80 3.118 1 37 1 7 1 "RMS(OBS, PRED)" C 88 1.304 1 38 1 7 1 "RMS(OBS, PRED)" CA 91 1.242 1 39 1 7 1 "RMS(OBS, PRED)" CB 81 1.705 1 40 1 7 1 "RMS(OBS, PRED)" H 80 0.481 1 41 1 7 1 "RMS(OBS, PRED)" HA 99 0.395 1 42 1 7 1 "RMS(OBS, PRED)" N 80 3.042 1 43 1 8 1 "RMS(OBS, PRED)" C 88 1.350 1 44 1 8 1 "RMS(OBS, PRED)" CA 91 1.252 1 45 1 8 1 "RMS(OBS, PRED)" CB 81 1.488 1 46 1 8 1 "RMS(OBS, PRED)" H 80 0.507 1 47 1 8 1 "RMS(OBS, PRED)" HA 99 0.359 1 48 1 8 1 "RMS(OBS, PRED)" N 80 2.953 1 49 1 9 1 "RMS(OBS, PRED)" C 88 1.355 1 50 1 9 1 "RMS(OBS, PRED)" CA 91 1.242 1 51 1 9 1 "RMS(OBS, PRED)" CB 81 1.466 1 52 1 9 1 "RMS(OBS, PRED)" H 80 0.521 1 53 1 9 1 "RMS(OBS, PRED)" HA 99 0.387 1 54 1 9 1 "RMS(OBS, PRED)" N 80 2.977 1 55 1 10 1 "RMS(OBS, PRED)" C 88 1.315 1 56 1 10 1 "RMS(OBS, PRED)" CA 91 1.204 1 57 1 10 1 "RMS(OBS, PRED)" CB 81 1.324 1 58 1 10 1 "RMS(OBS, PRED)" H 80 0.496 1 59 1 10 1 "RMS(OBS, PRED)" HA 99 0.348 1 60 1 10 1 "RMS(OBS, PRED)" N 80 3.256 1 61 1 11 1 "RMS(OBS, PRED)" C 88 1.280 1 62 1 11 1 "RMS(OBS, PRED)" CA 91 1.252 1 63 1 11 1 "RMS(OBS, PRED)" CB 81 1.372 1 64 1 11 1 "RMS(OBS, PRED)" H 80 0.522 1 65 1 11 1 "RMS(OBS, PRED)" HA 99 0.351 1 66 1 11 1 "RMS(OBS, PRED)" N 80 3.289 1 67 1 12 1 "RMS(OBS, PRED)" C 88 1.372 1 68 1 12 1 "RMS(OBS, PRED)" CA 91 1.147 1 69 1 12 1 "RMS(OBS, PRED)" CB 81 1.578 1 70 1 12 1 "RMS(OBS, PRED)" H 80 0.518 1 71 1 12 1 "RMS(OBS, PRED)" HA 99 0.376 1 72 1 12 1 "RMS(OBS, PRED)" N 80 3.081 1 73 1 13 1 "RMS(OBS, PRED)" C 88 1.259 1 74 1 13 1 "RMS(OBS, PRED)" CA 91 1.205 1 75 1 13 1 "RMS(OBS, PRED)" CB 81 1.332 1 76 1 13 1 "RMS(OBS, PRED)" H 80 0.486 1 77 1 13 1 "RMS(OBS, PRED)" HA 99 0.339 1 78 1 13 1 "RMS(OBS, PRED)" N 80 3.263 1 79 1 14 1 "RMS(OBS, PRED)" C 88 1.350 1 80 1 14 1 "RMS(OBS, PRED)" CA 91 1.284 1 81 1 14 1 "RMS(OBS, PRED)" CB 81 1.430 1 82 1 14 1 "RMS(OBS, PRED)" H 80 0.502 1 83 1 14 1 "RMS(OBS, PRED)" HA 99 0.353 1 84 1 14 1 "RMS(OBS, PRED)" N 80 3.186 1 85 1 15 1 "RMS(OBS, PRED)" C 88 1.197 1 86 1 15 1 "RMS(OBS, PRED)" CA 91 1.260 1 87 1 15 1 "RMS(OBS, PRED)" CB 81 1.344 1 88 1 15 1 "RMS(OBS, PRED)" H 80 0.521 1 89 1 15 1 "RMS(OBS, PRED)" HA 99 0.340 1 90 1 15 1 "RMS(OBS, PRED)" N 80 3.297 1 91 1 16 1 "RMS(OBS, PRED)" C 88 1.260 1 92 1 16 1 "RMS(OBS, PRED)" CA 91 1.208 1 93 1 16 1 "RMS(OBS, PRED)" CB 81 1.293 1 94 1 16 1 "RMS(OBS, PRED)" H 80 0.515 1 95 1 16 1 "RMS(OBS, PRED)" HA 99 0.355 1 96 1 16 1 "RMS(OBS, PRED)" N 80 3.090 1 97 1 17 1 "RMS(OBS, PRED)" C 88 1.240 1 98 1 17 1 "RMS(OBS, PRED)" CA 91 1.210 1 99 1 17 1 "RMS(OBS, PRED)" CB 81 1.630 1 100 1 17 1 "RMS(OBS, PRED)" H 80 0.473 1 101 1 17 1 "RMS(OBS, PRED)" HA 99 0.361 1 102 1 17 1 "RMS(OBS, PRED)" N 80 3.008 1 103 1 18 1 "RMS(OBS, PRED)" C 88 1.354 1 104 1 18 1 "RMS(OBS, PRED)" CA 91 1.279 1 105 1 18 1 "RMS(OBS, PRED)" CB 81 1.352 1 106 1 18 1 "RMS(OBS, PRED)" H 80 0.514 1 107 1 18 1 "RMS(OBS, PRED)" HA 99 0.374 1 108 1 18 1 "RMS(OBS, PRED)" N 80 3.187 1 109 1 19 1 "RMS(OBS, PRED)" C 88 1.378 1 110 1 19 1 "RMS(OBS, PRED)" CA 91 1.291 1 111 1 19 1 "RMS(OBS, PRED)" CB 81 1.384 1 112 1 19 1 "RMS(OBS, PRED)" H 80 0.467 1 113 1 19 1 "RMS(OBS, PRED)" HA 99 0.371 1 114 1 19 1 "RMS(OBS, PRED)" N 80 3.072 1 115 1 20 1 "RMS(OBS, PRED)" C 88 1.373 1 116 1 20 1 "RMS(OBS, PRED)" CA 91 1.324 1 117 1 20 1 "RMS(OBS, PRED)" CB 81 1.497 1 118 1 20 1 "RMS(OBS, PRED)" H 80 0.497 1 119 1 20 1 "RMS(OBS, PRED)" HA 99 0.370 1 120 1 20 1 "RMS(OBS, PRED)" N 80 3.135 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 SER CA C 2 58.268 57.826 0.442 2 1 2 . 1 1 A 2 2 SER CB C 2 63.729 64.528 -0.799 2 1 3 . 1 1 A 2 2 SER C C 2 174.818 173.828 0.990 2 1 4 . 1 1 A 3 3 SER CA C 3 58.693 58.381 0.312 2 1 5 . 1 1 A 3 3 SER CB C 3 63.906 64.422 -0.516 2 1 6 . 1 1 A 3 3 SER C C 3 174.981 174.147 0.834 2 1 7 . 1 1 A 5 5 SER C C 5 178.688 173.851 4.837 2 1 8 . 1 1 A 6 6 SER CA C 6 58.453 58.097 0.356 2 1 9 . 1 1 A 6 6 SER HA H 6 4.502 4.743 -0.241 2 1 10 . 1 1 A 6 6 SER CB C 6 63.956 64.781 -0.825 2 1 13 . 1 1 A 7 7 GLY N N 7 110.931 111.488 -0.557 2 1 14 . 1 1 A 7 7 GLY H H 7 8.436 8.408 0.028 2 1 15 . 1 1 A 7 7 GLY CA C 7 45.357 45.486 -0.129 2 1 16 . 1 1 A 7 7 GLY HA3 H 7 3.979 4.039 -0.060 2 1 17 . 1 1 A 7 7 GLY C C 7 174.128 173.601 0.527 2 1 18 . 1 1 A 7 7 GLY HA2 H 7 3.979 4.037 -0.058 2 1 19 . 1 1 A 8 8 VAL N N 8 119.070 121.440 -2.370 2 1 20 . 1 1 A 8 8 VAL H H 8 8.006 8.238 -0.232 2 1 21 . 1 1 A 8 8 VAL CA C 8 62.332 61.569 0.763 2 1 22 . 1 1 A 8 8 VAL HA H 8 4.180 4.370 -0.190 2 1 23 . 1 1 A 8 8 VAL CB C 8 32.819 33.014 -0.195 2 1 33 . 1 1 A 8 8 VAL C C 8 176.359 175.051 1.308 2 1 34 . 1 1 A 9 9 SER N N 9 119.223 121.444 -2.221 2 1 35 . 1 1 A 9 9 SER H H 9 8.418 8.598 -0.180 2 1 36 . 1 1 A 9 9 SER CA C 9 58.392 57.724 0.669 2 1 37 . 1 1 A 9 9 SER HA H 9 4.469 4.781 -0.312 2 1 38 . 1 1 A 9 9 SER CB C 9 63.948 64.088 -0.140 2 1 40 . 1 1 A 9 9 SER C C 9 174.256 173.400 0.856 2 1 42 . 1 1 A 10 10 ASP N N 10 122.453 124.511 -2.058 2 1 43 . 1 1 A 10 10 ASP H H 10 8.311 8.722 -0.411 2 1 44 . 1 1 A 10 10 ASP CA C 10 54.450 53.701 0.749 2 1 45 . 1 1 A 10 10 ASP HA H 10 4.592 5.017 -0.425 2 1 46 . 1 1 A 10 10 ASP CB C 10 41.174 42.690 -1.516 2 1 48 . 1 1 A 10 10 ASP C C 10 176.480 175.375 1.105 2 1 50 . 1 1 A 11 11 MET N N 11 120.428 121.013 -0.585 2 1 51 . 1 1 A 11 11 MET H H 11 8.340 8.543 -0.203 2 1 52 . 1 1 A 11 11 MET CA C 11 55.757 55.213 0.544 2 1 53 . 1 1 A 11 11 MET HA H 11 4.418 4.822 -0.405 2 1 54 . 1 1 A 11 11 MET CB C 11 32.457 34.394 -1.937 2 1 62 . 1 1 A 11 11 MET C C 11 176.391 175.378 1.013 2 1 65 . 1 1 A 12 12 ASN N N 12 118.914 119.080 -0.166 2 1 66 . 1 1 A 12 12 ASN H H 12 8.416 8.482 -0.066 2 1 67 . 1 1 A 12 12 ASN CA C 12 53.687 53.130 0.557 2 1 68 . 1 1 A 12 12 ASN HA H 12 4.660 4.953 -0.293 2 1 69 . 1 1 A 12 12 ASN CB C 12 38.924 40.221 -1.297 2 1 74 . 1 1 A 12 12 ASN C C 12 175.770 175.125 0.645 2 1 76 . 1 1 A 13 13 GLY N N 13 108.888 109.611 -0.723 2 1 77 . 1 1 A 13 13 GLY H H 13 8.317 8.508 -0.191 2 1 78 . 1 1 A 13 13 GLY CA C 13 45.658 45.780 -0.122 2 1 79 . 1 1 A 13 13 GLY HA3 H 13 3.920 4.042 -0.122 2 1 80 . 1 1 A 13 13 GLY C C 13 174.275 173.859 0.416 2 1 81 . 1 1 A 13 13 GLY HA2 H 13 3.920 4.028 -0.108 2 1 82 . 1 1 A 14 14 LEU N N 14 120.990 121.613 -0.623 2 1 83 . 1 1 A 14 14 LEU H H 14 8.015 8.289 -0.274 2 1 84 . 1 1 A 14 14 LEU CA C 14 55.074 54.886 0.188 2 1 85 . 1 1 A 14 14 LEU HA H 14 4.283 4.476 -0.193 2 1 86 . 1 1 A 14 14 LEU CB C 14 42.572 42.712 -0.140 2 1 98 . 1 1 A 14 14 LEU C C 14 177.365 176.527 0.838 2 1 100 . 1 1 A 15 15 GLY N N 15 107.853 108.781 -0.928 2 1 101 . 1 1 A 15 15 GLY H H 15 8.198 8.034 0.164 2 1 102 . 1 1 A 15 15 GLY CA C 15 44.968 45.577 -0.609 2 1 103 . 1 1 A 15 15 GLY HA3 H 15 3.823 3.970 -0.147 2 1 104 . 1 1 A 15 15 GLY C C 15 173.829 172.973 0.856 2 1 105 . 1 1 A 15 15 GLY HA2 H 15 3.783 3.848 -0.065 2 1 106 . 1 1 A 16 16 PHE N N 16 118.501 120.054 -1.553 2 1 107 . 1 1 A 16 16 PHE H H 16 7.868 8.125 -0.257 2 1 108 . 1 1 A 16 16 PHE CA C 16 57.837 57.666 0.171 2 1 109 . 1 1 A 16 16 PHE HA H 16 4.442 4.717 -0.275 2 1 110 . 1 1 A 16 16 PHE CB C 16 40.278 41.000 -0.722 2 1 122 . 1 1 A 16 16 PHE C C 16 176.569 175.250 1.319 2 1 124 . 1 1 A 17 17 LYS N N 17 126.087 123.453 2.634 2 1 125 . 1 1 A 17 17 LYS H H 17 8.611 8.450 0.161 2 1 126 . 1 1 A 17 17 LYS CA C 17 54.271 54.765 -0.494 2 1 127 . 1 1 A 17 17 LYS HA H 17 4.573 4.355 0.218 2 1 128 . 1 1 A 17 17 LYS CB C 17 32.818 32.764 0.054 2 1 136 . 1 1 A 17 17 LYS C C 17 174.147 175.081 -0.934 2 1 141 . 1 1 A 18 18 PRO CA C 18 62.850 62.545 0.305 2 1 142 . 1 1 A 18 18 PRO HA H 18 4.647 4.709 -0.062 2 1 143 . 1 1 A 18 18 PRO CB C 18 31.990 32.719 -0.729 2 1 149 . 1 1 A 18 18 PRO C C 18 176.220 175.657 0.563 2 1 153 . 1 1 A 19 19 PHE N N 19 123.581 123.347 0.234 2 1 154 . 1 1 A 19 19 PHE H H 19 8.905 8.515 0.390 2 1 155 . 1 1 A 19 19 PHE CA C 19 57.402 56.431 0.971 2 1 156 . 1 1 A 19 19 PHE HA H 19 4.502 4.960 -0.458 2 1 157 . 1 1 A 19 19 PHE CB C 19 41.432 41.140 0.292 2 1 169 . 1 1 A 19 19 PHE C C 19 173.078 173.342 -0.264 2 1 171 . 1 1 A 20 20 ASP N N 20 126.229 125.886 0.343 2 1 172 . 1 1 A 20 20 ASP H H 20 7.412 8.854 -1.442 2 1 173 . 1 1 A 20 20 ASP CA C 20 52.686 52.564 0.122 2 1 174 . 1 1 A 20 20 ASP HA H 20 5.248 5.047 0.201 2 1 175 . 1 1 A 20 20 ASP CB C 20 44.081 42.405 1.676 2 1 177 . 1 1 A 20 20 ASP C C 20 174.098 174.350 -0.252 2 1 179 . 1 1 A 21 21 LEU N N 21 123.421 123.540 -0.119 2 1 180 . 1 1 A 21 21 LEU H H 21 8.641 8.270 0.371 2 1 181 . 1 1 A 21 21 LEU CA C 21 54.201 53.787 0.414 2 1 182 . 1 1 A 21 21 LEU HA H 21 4.367 4.807 -0.440 2 1 183 . 1 1 A 21 21 LEU CB C 21 46.118 46.017 0.101 2 1 195 . 1 1 A 21 21 LEU C C 21 174.294 173.813 0.481 2 1 197 . 1 1 A 22 22 VAL N N 22 127.339 123.599 3.740 2 1 198 . 1 1 A 22 22 VAL H H 22 8.451 8.984 -0.533 2 1 199 . 1 1 A 22 22 VAL CA C 22 61.986 59.963 2.023 2 1 200 . 1 1 A 22 22 VAL HA H 22 4.572 4.897 -0.325 2 1 201 . 1 1 A 22 22 VAL CB C 22 32.276 34.417 -2.141 2 1 211 . 1 1 A 22 22 VAL C C 22 176.066 174.999 1.067 2 1 212 . 1 1 A 23 23 ILE N N 23 128.645 129.363 -0.718 2 1 213 . 1 1 A 23 23 ILE H H 23 8.998 8.283 0.715 2 1 214 . 1 1 A 23 23 ILE CA C 23 57.193 60.298 -3.105 2 1 215 . 1 1 A 23 23 ILE HA H 23 4.489 4.121 0.368 2 1 216 . 1 1 A 23 23 ILE CB C 23 38.455 37.627 0.828 2 1 228 . 1 1 A 23 23 ILE C C 23 175.434 176.472 -1.038 2 1 230 . 1 1 A 24 24 PRO CA C 24 63.319 65.399 -2.080 2 1 231 . 1 1 A 24 24 PRO HA H 24 4.600 4.366 0.234 2 1 232 . 1 1 A 24 24 PRO CB C 24 30.324 32.001 -1.677 2 1 238 . 1 1 A 24 24 PRO C C 24 174.946 176.665 -1.719 2 1 242 . 1 1 A 25 25 PHE N N 25 121.530 114.365 7.165 2 1 243 . 1 1 A 25 25 PHE H H 25 7.582 7.885 -0.303 2 1 244 . 1 1 A 25 25 PHE CA C 25 56.635 56.008 0.627 2 1 245 . 1 1 A 25 25 PHE HA H 25 4.552 4.589 -0.037 2 1 246 . 1 1 A 25 25 PHE CB C 25 40.977 40.529 0.448 2 1 258 . 1 1 A 25 25 PHE C C 25 172.831 174.973 -2.142 2 1 260 . 1 1 A 26 26 ALA N N 26 124.526 122.579 1.947 2 1 261 . 1 1 A 26 26 ALA H H 26 7.993 8.568 -0.575 2 1 262 . 1 1 A 26 26 ALA CA C 26 52.074 50.691 1.383 2 1 263 . 1 1 A 26 26 ALA HA H 26 4.221 4.742 -0.521 2 1 264 . 1 1 A 26 26 ALA CB C 26 18.862 20.779 -1.917 2 1 268 . 1 1 A 26 26 ALA C C 26 176.973 176.170 0.803 2 1 269 . 1 1 A 27 27 VAL N N 27 118.422 119.139 -0.717 2 1 270 . 1 1 A 27 27 VAL H H 27 8.046 8.371 -0.325 2 1 271 . 1 1 A 27 27 VAL CA C 27 61.375 59.541 1.834 2 1 272 . 1 1 A 27 27 VAL HA H 27 4.248 4.511 -0.263 2 1 273 . 1 1 A 27 27 VAL CB C 27 34.179 34.918 -0.739 2 1 283 . 1 1 A 27 27 VAL C C 27 175.445 173.564 1.881 2 1 284 . 1 1 A 28 28 ARG N N 28 122.785 124.683 -1.898 2 1 285 . 1 1 A 28 28 ARG H H 28 8.275 8.428 -0.153 2 1 286 . 1 1 A 28 28 ARG CA C 28 55.407 54.686 0.721 2 1 287 . 1 1 A 28 28 ARG HA H 28 4.473 4.762 -0.289 2 1 288 . 1 1 A 28 28 ARG CB C 28 31.087 32.479 -1.392 2 1 294 . 1 1 A 28 28 ARG C C 28 176.528 175.557 0.971 2 1 298 . 1 1 A 29 29 LYS N N 29 121.704 122.769 -1.065 2 1 299 . 1 1 A 29 29 LYS H H 29 8.484 8.540 -0.056 2 1 300 . 1 1 A 29 29 LYS CA C 29 57.888 56.440 1.448 2 1 301 . 1 1 A 29 29 LYS HA H 29 4.170 4.317 -0.147 2 1 302 . 1 1 A 29 29 LYS CB C 29 32.564 32.222 0.342 2 1 310 . 1 1 A 29 29 LYS C C 29 177.124 176.535 0.589 2 1 315 . 1 1 A 30 30 GLY N N 30 109.946 111.098 -1.152 2 1 316 . 1 1 A 30 30 GLY H H 30 8.546 8.363 0.183 2 1 317 . 1 1 A 30 30 GLY CA C 30 45.408 45.916 -0.508 2 1 318 . 1 1 A 30 30 GLY HA3 H 30 4.060 4.084 -0.024 2 1 319 . 1 1 A 30 30 GLY C C 30 173.961 174.598 -0.637 2 1 320 . 1 1 A 30 30 GLY HA2 H 30 3.981 4.065 -0.084 2 1 321 . 1 1 A 31 31 GLU N N 31 118.290 121.708 -3.418 2 1 322 . 1 1 A 31 31 GLU H H 31 8.088 8.493 -0.406 2 1 323 . 1 1 A 31 31 GLU CA C 31 56.979 56.197 0.782 2 1 324 . 1 1 A 31 31 GLU HA H 31 4.418 4.500 -0.082 2 1 325 . 1 1 A 31 31 GLU CB C 31 31.108 30.240 0.868 2 1 329 . 1 1 A 31 31 GLU C C 31 176.184 175.150 1.034 2 1 332 . 1 1 A 32 32 ILE N N 32 121.780 122.467 -0.687 2 1 333 . 1 1 A 32 32 ILE H H 32 8.155 7.703 0.452 2 1 334 . 1 1 A 32 32 ILE CA C 32 58.252 59.420 -1.168 2 1 335 . 1 1 A 32 32 ILE HA H 32 5.409 5.136 0.273 2 1 336 . 1 1 A 32 32 ILE CB C 32 39.008 41.957 -2.949 2 1 348 . 1 1 A 32 32 ILE C C 32 175.262 174.241 1.021 2 1 350 . 1 1 A 33 33 THR N N 33 117.063 116.221 0.842 2 1 351 . 1 1 A 33 33 THR H H 33 8.906 8.565 0.341 2 1 352 . 1 1 A 33 33 THR CA C 33 59.591 60.034 -0.443 2 1 353 . 1 1 A 33 33 THR HA H 33 4.707 5.219 -0.512 2 1 354 . 1 1 A 33 33 THR CB C 33 72.003 72.419 -0.416 2 1 360 . 1 1 A 33 33 THR C C 33 173.146 172.979 0.167 2 1 361 . 1 1 A 34 34 GLY N N 34 106.583 108.310 -1.727 2 1 362 . 1 1 A 34 34 GLY H H 34 8.603 8.477 0.126 2 1 363 . 1 1 A 34 34 GLY CA C 34 45.032 45.325 -0.293 2 1 364 . 1 1 A 34 34 GLY HA3 H 34 3.424 4.428 -1.004 2 1 365 . 1 1 A 34 34 GLY C C 34 172.260 172.207 0.053 2 1 366 . 1 1 A 34 34 GLY HA2 H 34 5.351 4.421 0.929 2 1 367 . 1 1 A 35 35 GLU N N 35 118.818 120.580 -1.762 2 1 368 . 1 1 A 35 35 GLU H H 35 8.756 8.758 -0.002 2 1 369 . 1 1 A 35 35 GLU CA C 35 56.375 55.181 1.194 2 1 370 . 1 1 A 35 35 GLU HA H 35 4.739 5.102 -0.363 2 1 371 . 1 1 A 35 35 GLU CB C 35 34.673 33.902 0.771 2 1 375 . 1 1 A 35 35 GLU C C 35 173.645 174.493 -0.848 2 1 378 . 1 1 A 36 36 VAL N N 36 124.835 124.051 0.784 2 1 379 . 1 1 A 36 36 VAL H H 36 9.291 8.751 0.540 2 1 380 . 1 1 A 36 36 VAL CA C 36 60.780 61.277 -0.497 2 1 381 . 1 1 A 36 36 VAL HA H 36 4.751 4.836 -0.085 2 1 382 . 1 1 A 36 36 VAL CB C 36 33.990 34.660 -0.670 2 1 392 . 1 1 A 36 36 VAL C C 36 174.137 174.719 -0.582 2 1 393 . 1 1 A 37 37 HIS N N 37 126.324 125.889 0.435 2 1 394 . 1 1 A 37 37 HIS H H 37 9.294 9.235 0.059 2 1 395 . 1 1 A 37 37 HIS CA C 37 54.625 54.926 -0.301 2 1 396 . 1 1 A 37 37 HIS HA H 37 4.751 4.976 -0.225 2 1 397 . 1 1 A 37 37 HIS CB C 37 30.676 30.225 0.451 2 1 403 . 1 1 A 37 37 HIS C C 37 174.317 174.625 -0.308 2 1 405 . 1 1 A 38 38 MET N N 38 122.552 124.019 -1.467 2 1 406 . 1 1 A 38 38 MET H H 38 8.303 8.724 -0.421 2 1 407 . 1 1 A 38 38 MET CA C 38 54.086 54.961 -0.875 2 1 408 . 1 1 A 38 38 MET HA H 38 4.089 4.376 -0.287 2 1 409 . 1 1 A 38 38 MET CB C 38 32.900 32.231 0.669 2 1 417 . 1 1 A 38 38 MET C C 38 174.851 175.997 -1.146 2 1 420 . 1 1 A 39 39 PRO CA C 39 65.874 64.212 1.662 2 1 421 . 1 1 A 39 39 PRO HA H 39 4.156 4.329 -0.173 2 1 422 . 1 1 A 39 39 PRO CB C 39 31.312 31.792 -0.480 2 1 428 . 1 1 A 39 39 PRO C C 39 178.047 177.762 0.285 2 1 432 . 1 1 A 40 40 SER N N 40 111.214 111.693 -0.479 2 1 433 . 1 1 A 40 40 SER H H 40 8.759 7.745 1.014 2 1 434 . 1 1 A 40 40 SER CA C 40 59.667 58.720 0.947 2 1 435 . 1 1 A 40 40 SER HA H 40 4.089 4.448 -0.359 2 1 436 . 1 1 A 40 40 SER CB C 40 62.726 63.451 -0.725 2 1 438 . 1 1 A 40 40 SER C C 40 176.300 174.519 1.781 2 1 440 . 1 1 A 41 41 GLY N N 41 111.180 108.891 2.289 2 1 441 . 1 1 A 41 41 GLY H H 41 8.293 7.842 0.451 2 1 442 . 1 1 A 41 41 GLY CA C 41 44.624 45.086 -0.462 2 1 443 . 1 1 A 41 41 GLY HA3 H 41 3.620 4.015 -0.395 2 1 444 . 1 1 A 41 41 GLY C C 41 174.516 173.927 0.589 2 1 445 . 1 1 A 41 41 GLY HA2 H 41 4.447 4.012 0.435 2 1 446 . 1 1 A 42 42 LYS N N 42 120.452 119.546 0.906 2 1 447 . 1 1 A 42 42 LYS H H 42 7.038 7.794 -0.756 2 1 448 . 1 1 A 42 42 LYS CA C 42 56.944 54.551 2.393 2 1 449 . 1 1 A 42 42 LYS HA H 42 4.286 4.712 -0.426 2 1 450 . 1 1 A 42 42 LYS CB C 42 33.719 34.999 -1.280 2 1 457 . 1 1 A 42 42 LYS C C 42 175.050 175.113 -0.063 2 1 462 . 1 1 A 43 43 THR N N 43 111.705 111.703 0.002 2 1 463 . 1 1 A 43 43 THR H H 43 8.110 8.793 -0.683 2 1 464 . 1 1 A 43 43 THR CA C 43 59.653 60.069 -0.416 2 1 465 . 1 1 A 43 43 THR HA H 43 5.450 5.348 0.102 2 1 466 . 1 1 A 43 43 THR CB C 43 71.842 72.230 -0.388 2 1 472 . 1 1 A 43 43 THR C C 43 174.054 173.131 0.923 2 1 473 . 1 1 A 44 44 ALA N N 44 123.338 122.128 1.210 2 1 474 . 1 1 A 44 44 ALA H H 44 8.683 8.290 0.393 2 1 475 . 1 1 A 44 44 ALA CA C 44 50.752 51.664 -0.912 2 1 476 . 1 1 A 44 44 ALA HA H 44 4.798 4.839 -0.041 2 1 477 . 1 1 A 44 44 ALA CB C 44 24.091 22.997 1.094 2 1 481 . 1 1 A 44 44 ALA C C 44 175.947 175.899 0.048 2 1 482 . 1 1 A 45 45 THR N N 45 117.733 111.791 5.942 2 1 483 . 1 1 A 45 45 THR H H 45 8.934 8.531 0.403 2 1 484 . 1 1 A 45 45 THR CA C 45 59.517 59.248 0.269 2 1 485 . 1 1 A 45 45 THR HA H 45 4.894 4.848 0.046 2 1 486 . 1 1 A 45 45 THR CB C 45 70.403 69.642 0.761 2 1 492 . 1 1 A 45 45 THR C C 45 173.394 173.535 -0.141 2 1 493 . 1 1 A 46 46 PRO CA C 46 62.017 62.283 -0.266 2 1 494 . 1 1 A 46 46 PRO HA H 46 4.978 4.688 0.290 2 1 495 . 1 1 A 46 46 PRO CB C 46 32.885 32.891 -0.006 2 1 501 . 1 1 A 46 46 PRO C C 46 173.937 175.837 -1.900 2 1 505 . 1 1 A 47 47 GLU N N 47 120.450 120.658 -0.208 2 1 506 . 1 1 A 47 47 GLU H H 47 8.894 8.728 0.166 2 1 507 . 1 1 A 47 47 GLU CA C 47 56.040 55.456 0.584 2 1 508 . 1 1 A 47 47 GLU HA H 47 4.409 4.680 -0.271 2 1 509 . 1 1 A 47 47 GLU CB C 47 31.436 31.063 0.373 2 1 513 . 1 1 A 47 47 GLU C C 47 175.160 175.061 0.099 2 1 516 . 1 1 A 48 48 ILE N N 48 124.818 127.846 -3.028 2 1 517 . 1 1 A 48 48 ILE H H 48 8.467 8.824 -0.357 2 1 518 . 1 1 A 48 48 ILE CA C 48 60.408 60.259 0.149 2 1 519 . 1 1 A 48 48 ILE HA H 48 4.727 4.571 0.156 2 1 520 . 1 1 A 48 48 ILE CB C 48 38.177 37.753 0.424 2 1 532 . 1 1 A 48 48 ILE C C 48 175.681 174.740 0.941 2 1 534 . 1 1 A 49 49 VAL N N 49 129.411 127.802 1.609 2 1 535 . 1 1 A 49 49 VAL H H 49 9.417 8.744 0.673 2 1 536 . 1 1 A 49 49 VAL CA C 49 61.259 60.699 0.560 2 1 537 . 1 1 A 49 49 VAL HA H 49 4.188 4.663 -0.475 2 1 538 . 1 1 A 49 49 VAL CB C 49 34.719 34.985 -0.266 2 1 548 . 1 1 A 49 49 VAL C C 49 174.654 173.752 0.902 2 1 549 . 1 1 A 50 50 ASP N N 50 125.078 127.652 -2.574 2 1 550 . 1 1 A 50 50 ASP H H 50 8.664 8.819 -0.155 2 1 551 . 1 1 A 50 50 ASP CA C 50 53.899 52.650 1.249 2 1 552 . 1 1 A 50 50 ASP HA H 50 4.683 5.215 -0.532 2 1 553 . 1 1 A 50 50 ASP CB C 50 41.270 41.868 -0.598 2 1 555 . 1 1 A 50 50 ASP C C 50 176.440 175.726 0.714 2 1 557 . 1 1 A 51 51 ASN N N 51 123.926 125.523 -1.597 2 1 558 . 1 1 A 51 51 ASN H H 51 8.212 8.733 -0.521 2 1 559 . 1 1 A 51 51 ASN CA C 51 53.917 53.688 0.229 2 1 560 . 1 1 A 51 51 ASN HA H 51 4.703 4.633 0.070 2 1 561 . 1 1 A 51 51 ASN CB C 51 38.667 39.507 -0.840 2 1 566 . 1 1 A 51 51 ASN C C 51 176.260 175.856 0.405 2 1 568 . 1 1 A 52 52 LYS N N 52 115.640 122.449 -6.809 2 1 569 . 1 1 A 52 52 LYS H H 52 9.145 8.763 0.382 2 1 570 . 1 1 A 52 52 LYS CA C 52 58.127 56.642 1.484 2 1 571 . 1 1 A 52 52 LYS HA H 52 4.040 4.404 -0.364 2 1 572 . 1 1 A 52 52 LYS CB C 52 29.405 32.400 -2.995 2 1 580 . 1 1 A 52 52 LYS C C 52 175.471 176.912 -1.441 2 1 585 . 1 1 A 53 53 ASP N N 53 117.607 119.081 -1.474 2 1 586 . 1 1 A 53 53 ASP H H 53 7.824 7.920 -0.096 2 1 587 . 1 1 A 53 53 ASP CA C 53 52.598 54.511 -1.913 2 1 588 . 1 1 A 53 53 ASP HA H 53 4.690 4.785 -0.095 2 1 589 . 1 1 A 53 53 ASP CB C 53 40.929 42.988 -2.059 2 1 591 . 1 1 A 53 53 ASP C C 53 177.173 176.320 0.853 2 1 593 . 1 1 A 54 54 GLY N N 54 108.692 106.576 2.115 2 1 594 . 1 1 A 54 54 GLY H H 54 8.548 7.943 0.605 2 1 595 . 1 1 A 54 54 GLY CA C 54 45.161 45.051 0.110 2 1 596 . 1 1 A 54 54 GLY HA3 H 54 3.653 4.020 -0.367 2 1 597 . 1 1 A 54 54 GLY C C 54 173.737 173.647 0.090 2 1 598 . 1 1 A 54 54 GLY HA2 H 54 4.372 4.017 0.355 2 1 599 . 1 1 A 55 55 THR N N 55 110.165 110.208 -0.043 2 1 600 . 1 1 A 55 55 THR H H 55 7.929 7.552 0.377 2 1 601 . 1 1 A 55 55 THR CA C 55 60.412 59.674 0.738 2 1 602 . 1 1 A 55 55 THR HA H 55 5.100 4.881 0.219 2 1 603 . 1 1 A 55 55 THR CB C 55 73.027 72.611 0.416 2 1 609 . 1 1 A 55 55 THR C C 55 174.206 172.885 1.321 2 1 610 . 1 1 A 56 56 VAL N N 56 115.822 120.383 -4.561 2 1 611 . 1 1 A 56 56 VAL H H 56 8.581 8.435 0.146 2 1 612 . 1 1 A 56 56 VAL CA C 56 59.608 60.077 -0.469 2 1 613 . 1 1 A 56 56 VAL HA H 56 5.132 5.260 -0.128 2 1 614 . 1 1 A 56 56 VAL CB C 56 35.607 35.011 0.596 2 1 624 . 1 1 A 56 56 VAL C C 56 174.437 174.916 -0.479 2 1 625 . 1 1 A 57 57 THR N N 57 120.574 121.680 -1.106 2 1 626 . 1 1 A 57 57 THR H H 57 9.151 8.812 0.339 2 1 627 . 1 1 A 57 57 THR CA C 57 61.543 61.633 -0.090 2 1 628 . 1 1 A 57 57 THR HA H 57 5.021 5.084 -0.063 2 1 629 . 1 1 A 57 57 THR CB C 57 71.080 70.882 0.198 2 1 635 . 1 1 A 57 57 THR C C 57 173.190 173.296 -0.106 2 1 636 . 1 1 A 58 58 VAL N N 58 127.832 128.098 -0.266 2 1 637 . 1 1 A 58 58 VAL H H 58 9.296 9.170 0.126 2 1 638 . 1 1 A 58 58 VAL CA C 58 61.204 61.997 -0.793 2 1 639 . 1 1 A 58 58 VAL HA H 58 4.774 4.722 0.052 2 1 640 . 1 1 A 58 58 VAL CB C 58 32.626 31.331 1.295 2 1 650 . 1 1 A 58 58 VAL C C 58 173.991 174.728 -0.737 2 1 651 . 1 1 A 59 59 ARG N N 59 126.761 128.485 -1.724 2 1 652 . 1 1 A 59 59 ARG H H 59 9.190 8.824 0.366 2 1 653 . 1 1 A 59 59 ARG CA C 59 54.384 54.338 0.046 2 1 654 . 1 1 A 59 59 ARG HA H 59 5.488 5.302 0.186 2 1 655 . 1 1 A 59 59 ARG CB C 59 34.262 33.294 0.968 2 1 661 . 1 1 A 59 59 ARG C C 59 174.849 174.268 0.581 2 1 665 . 1 1 A 60 60 TYR N N 60 123.838 126.057 -2.219 2 1 666 . 1 1 A 60 60 TYR H H 60 9.164 8.668 0.496 2 1 667 . 1 1 A 60 60 TYR CA C 60 56.684 57.657 -0.973 2 1 668 . 1 1 A 60 60 TYR HA H 60 5.024 5.064 -0.040 2 1 669 . 1 1 A 60 60 TYR CB C 60 42.761 41.733 1.028 2 1 675 . 1 1 A 60 60 TYR C C 60 171.861 173.766 -1.905 2 1 677 . 1 1 A 61 61 ALA N N 61 134.382 130.008 4.374 2 1 678 . 1 1 A 61 61 ALA H H 61 8.023 8.497 -0.474 2 1 679 . 1 1 A 61 61 ALA CA C 61 47.869 49.039 -1.170 2 1 680 . 1 1 A 61 61 ALA HA H 61 4.670 4.427 0.243 2 1 681 . 1 1 A 61 61 ALA CB C 61 18.685 19.816 -1.131 2 1 685 . 1 1 A 61 61 ALA C C 61 172.714 175.538 -2.824 2 1 686 . 1 1 A 62 62 PRO CA C 62 62.455 62.454 0.001 2 1 687 . 1 1 A 62 62 PRO HA H 62 4.137 4.327 -0.190 2 1 688 . 1 1 A 62 62 PRO CB C 62 33.972 31.796 2.176 2 1 694 . 1 1 A 62 62 PRO C C 62 175.567 176.826 -1.259 2 1 698 . 1 1 A 63 63 THR N N 63 106.145 113.785 -7.640 2 1 699 . 1 1 A 63 63 THR H H 63 8.819 8.590 0.229 2 1 700 . 1 1 A 63 63 THR CA C 63 60.795 63.064 -2.269 2 1 701 . 1 1 A 63 63 THR HA H 63 4.278 4.450 -0.172 2 1 702 . 1 1 A 63 63 THR CB C 63 70.379 69.582 0.797 2 1 708 . 1 1 A 63 63 THR C C 63 173.771 174.461 -0.690 2 1 709 . 1 1 A 64 64 GLU N N 64 119.851 119.227 0.624 2 1 710 . 1 1 A 64 64 GLU H H 64 7.217 7.665 -0.448 2 1 711 . 1 1 A 64 64 GLU CA C 64 54.483 54.792 -0.309 2 1 712 . 1 1 A 64 64 GLU HA H 64 4.560 4.720 -0.160 2 1 713 . 1 1 A 64 64 GLU CB C 64 33.675 33.579 0.096 2 1 717 . 1 1 A 64 64 GLU C C 64 173.177 175.254 -2.077 2 1 720 . 1 1 A 65 65 VAL N N 65 114.914 119.158 -4.244 2 1 721 . 1 1 A 65 65 VAL H H 65 7.740 8.380 -0.640 2 1 722 . 1 1 A 65 65 VAL CA C 65 61.412 61.042 0.370 2 1 723 . 1 1 A 65 65 VAL HA H 65 3.730 4.265 -0.535 2 1 724 . 1 1 A 65 65 VAL CB C 65 33.477 33.367 0.110 2 1 734 . 1 1 A 65 65 VAL C C 65 176.588 174.892 1.696 2 1 735 . 1 1 A 66 66 GLY N N 66 108.948 108.584 0.364 2 1 736 . 1 1 A 66 66 GLY H H 66 8.821 7.826 0.995 2 1 737 . 1 1 A 66 66 GLY CA C 66 43.304 43.786 -0.482 2 1 738 . 1 1 A 66 66 GLY HA3 H 66 4.468 3.985 0.483 2 1 739 . 1 1 A 66 66 GLY C C 66 175.811 171.791 4.020 2 1 740 . 1 1 A 66 66 GLY HA2 H 66 3.184 3.896 -0.712 2 1 741 . 1 1 A 67 67 LEU N N 67 126.594 122.161 4.433 2 1 742 . 1 1 A 67 67 LEU H H 67 9.023 8.332 0.691 2 1 743 . 1 1 A 67 67 LEU CA C 67 56.432 53.487 2.945 2 1 744 . 1 1 A 67 67 LEU HA H 67 4.137 4.917 -0.780 2 1 745 . 1 1 A 67 67 LEU CB C 67 41.933 44.108 -2.175 2 1 757 . 1 1 A 67 67 LEU C C 67 174.817 174.584 0.233 2 1 759 . 1 1 A 68 68 HIS N N 68 127.130 125.884 1.246 2 1 760 . 1 1 A 68 68 HIS H H 68 9.165 8.482 0.683 2 1 761 . 1 1 A 68 68 HIS CA C 68 54.518 54.380 0.138 2 1 762 . 1 1 A 68 68 HIS HA H 68 4.562 5.070 -0.508 2 1 763 . 1 1 A 68 68 HIS CB C 68 32.159 31.772 0.387 2 1 769 . 1 1 A 68 68 HIS C C 68 173.717 173.477 0.240 2 1 771 . 1 1 A 69 69 GLU N N 69 116.428 123.869 -7.441 2 1 772 . 1 1 A 69 69 GLU H H 69 8.096 8.701 -0.605 2 1 773 . 1 1 A 69 69 GLU CA C 69 54.625 54.926 -0.302 2 1 774 . 1 1 A 69 69 GLU HA H 69 5.274 5.232 0.042 2 1 775 . 1 1 A 69 69 GLU CB C 69 34.361 32.618 1.743 2 1 779 . 1 1 A 69 69 GLU C C 69 174.811 174.997 -0.186 2 1 782 . 1 1 A 70 70 MET N N 70 126.104 127.823 -1.719 2 1 783 . 1 1 A 70 70 MET H H 70 9.874 9.210 0.664 2 1 784 . 1 1 A 70 70 MET CA C 70 54.399 54.410 -0.011 2 1 785 . 1 1 A 70 70 MET HA H 70 5.272 5.309 -0.037 2 1 786 . 1 1 A 70 70 MET CB C 70 36.158 34.841 1.317 2 1 794 . 1 1 A 70 70 MET C C 70 173.699 175.343 -1.644 2 1 797 . 1 1 A 71 71 HIS N N 71 129.007 122.916 6.091 2 1 798 . 1 1 A 71 71 HIS H H 71 9.533 9.479 0.054 2 1 799 . 1 1 A 71 71 HIS CA C 71 54.201 54.548 -0.347 2 1 800 . 1 1 A 71 71 HIS HA H 71 5.273 5.207 0.066 2 1 801 . 1 1 A 71 71 HIS CB C 71 33.546 31.913 1.633 2 1 807 . 1 1 A 71 71 HIS C C 71 174.997 174.104 0.893 2 1 809 . 1 1 A 72 72 ILE N N 72 126.123 124.022 2.100 2 1 810 . 1 1 A 72 72 ILE H H 72 9.842 9.063 0.779 2 1 811 . 1 1 A 72 72 ILE CA C 72 60.037 59.906 0.131 2 1 812 . 1 1 A 72 72 ILE HA H 72 4.885 4.928 -0.043 2 1 813 . 1 1 A 72 72 ILE CB C 72 40.102 40.611 -0.509 2 1 825 . 1 1 A 72 72 ILE C C 72 173.955 175.266 -1.311 2 1 827 . 1 1 A 73 73 LYS N N 73 124.414 125.576 -1.162 2 1 828 . 1 1 A 73 73 LYS H H 73 8.854 8.674 0.180 2 1 829 . 1 1 A 73 73 LYS CA C 73 54.200 54.909 -0.709 2 1 830 . 1 1 A 73 73 LYS HA H 73 4.964 5.016 -0.052 2 1 831 . 1 1 A 73 73 LYS CB C 73 36.335 35.664 0.671 2 1 839 . 1 1 A 73 73 LYS C C 73 174.360 174.189 0.171 2 1 844 . 1 1 A 74 74 TYR N N 74 121.190 126.096 -4.906 2 1 845 . 1 1 A 74 74 TYR H H 74 8.979 9.214 -0.235 2 1 846 . 1 1 A 74 74 TYR CA C 74 55.271 57.564 -2.293 2 1 847 . 1 1 A 74 74 TYR HA H 74 5.365 4.875 0.490 2 1 848 . 1 1 A 74 74 TYR CB C 74 41.143 40.470 0.673 2 1 858 . 1 1 A 74 74 TYR C C 74 175.646 175.033 0.613 2 1 860 . 1 1 A 75 75 MET N N 75 125.219 127.077 -1.858 2 1 861 . 1 1 A 75 75 MET H H 75 9.096 9.492 -0.396 2 1 862 . 1 1 A 75 75 MET CA C 75 56.166 56.620 -0.454 2 1 863 . 1 1 A 75 75 MET HA H 75 3.920 4.180 -0.260 2 1 864 . 1 1 A 75 75 MET CB C 75 29.423 31.150 -1.727 2 1 872 . 1 1 A 75 75 MET C C 75 176.809 176.248 0.561 2 1 875 . 1 1 A 76 76 GLY N N 76 102.874 104.547 -1.673 2 1 876 . 1 1 A 76 76 GLY H H 76 8.573 8.633 -0.060 2 1 877 . 1 1 A 76 76 GLY CA C 76 45.421 46.155 -0.734 2 1 878 . 1 1 A 76 76 GLY HA3 H 76 4.221 3.879 0.342 2 1 879 . 1 1 A 76 76 GLY C C 76 174.014 173.733 0.281 2 1 880 . 1 1 A 76 76 GLY HA2 H 76 3.471 3.864 -0.393 2 1 881 . 1 1 A 77 77 SER N N 77 115.868 114.531 1.337 2 1 882 . 1 1 A 77 77 SER H H 77 7.609 7.610 -0.001 2 1 883 . 1 1 A 77 77 SER CA C 77 56.956 57.312 -0.356 2 1 884 . 1 1 A 77 77 SER HA H 77 4.935 4.888 0.047 2 1 885 . 1 1 A 77 77 SER CB C 77 65.336 65.701 -0.365 2 1 887 . 1 1 A 77 77 SER C C 77 173.677 173.174 0.503 2 1 889 . 1 1 A 78 78 HIS N N 78 124.606 124.356 0.250 2 1 890 . 1 1 A 78 78 HIS H H 78 8.751 8.925 -0.174 2 1 891 . 1 1 A 78 78 HIS CA C 78 59.005 57.131 1.874 2 1 892 . 1 1 A 78 78 HIS HA H 78 4.617 4.740 -0.123 2 1 893 . 1 1 A 78 78 HIS CB C 78 32.066 30.721 1.345 2 1 899 . 1 1 A 78 78 HIS C C 78 178.429 175.687 2.742 2 1 901 . 1 1 A 79 79 ILE N N 79 117.547 119.519 -1.972 2 1 902 . 1 1 A 79 79 ILE H H 79 8.102 8.277 -0.175 2 1 903 . 1 1 A 79 79 ILE CA C 79 61.442 58.742 2.700 2 1 904 . 1 1 A 79 79 ILE HA H 79 4.737 4.565 0.172 2 1 905 . 1 1 A 79 79 ILE CB C 79 35.644 38.255 -2.611 2 1 917 . 1 1 A 79 79 ILE C C 79 174.657 176.146 -1.489 2 1 919 . 1 1 A 80 80 PRO CA C 80 66.398 64.301 2.097 2 1 920 . 1 1 A 80 80 PRO HA H 80 4.296 4.530 -0.234 2 1 921 . 1 1 A 80 80 PRO CB C 80 31.380 31.553 -0.173 2 1 927 . 1 1 A 80 80 PRO C C 80 177.763 177.256 0.507 2 1 931 . 1 1 A 81 81 GLU N N 81 114.279 117.444 -3.165 2 1 932 . 1 1 A 81 81 GLU H H 81 8.913 8.367 0.546 2 1 933 . 1 1 A 81 81 GLU CA C 81 58.285 56.889 1.395 2 1 934 . 1 1 A 81 81 GLU HA H 81 4.043 4.561 -0.518 2 1 935 . 1 1 A 81 81 GLU CB C 81 29.010 31.088 -2.078 2 1 939 . 1 1 A 81 81 GLU C C 81 174.743 175.756 -1.013 2 1 942 . 1 1 A 82 82 SER N N 82 112.700 115.259 -2.559 2 1 943 . 1 1 A 82 82 SER H H 82 7.918 7.646 0.272 2 1 944 . 1 1 A 82 82 SER CA C 82 54.519 55.780 -1.261 2 1 945 . 1 1 A 82 82 SER HA H 82 4.798 4.900 -0.102 2 1 946 . 1 1 A 82 82 SER CB C 82 64.077 65.834 -1.757 2 1 948 . 1 1 A 82 82 SER C C 82 173.394 171.707 1.687 2 1 950 . 1 1 A 83 83 PRO CA C 83 62.597 62.490 0.107 2 1 951 . 1 1 A 83 83 PRO HA H 83 5.247 4.716 0.531 2 1 952 . 1 1 A 83 83 PRO CB C 83 34.681 32.639 2.042 2 1 958 . 1 1 A 83 83 PRO C C 83 175.783 176.104 -0.321 2 1 962 . 1 1 A 84 84 LEU N N 84 123.427 116.930 6.497 2 1 963 . 1 1 A 84 84 LEU H H 84 9.099 8.099 1.000 2 1 964 . 1 1 A 84 84 LEU CA C 84 54.413 52.480 1.933 2 1 965 . 1 1 A 84 84 LEU HA H 84 4.893 5.293 -0.401 2 1 966 . 1 1 A 84 84 LEU CB C 84 44.452 46.374 -1.922 2 1 978 . 1 1 A 84 84 LEU C C 84 176.054 175.554 0.500 2 1 980 . 1 1 A 85 85 GLN N N 85 122.438 118.396 4.042 2 1 981 . 1 1 A 85 85 GLN H H 85 8.869 8.705 0.164 2 1 982 . 1 1 A 85 85 GLN CA C 85 54.811 54.231 0.580 2 1 983 . 1 1 A 85 85 GLN HA H 85 5.359 5.332 0.027 2 1 984 . 1 1 A 85 85 GLN CB C 85 30.972 32.505 -1.533 2 1 991 . 1 1 A 85 85 GLN C C 85 175.687 174.857 0.830 2 1 994 . 1 1 A 86 86 PHE N N 86 118.108 118.760 -0.652 2 1 995 . 1 1 A 86 86 PHE H H 86 8.483 8.368 0.115 2 1 996 . 1 1 A 86 86 PHE CA C 86 56.104 55.571 0.533 2 1 997 . 1 1 A 86 86 PHE HA H 86 4.917 5.495 -0.578 2 1 998 . 1 1 A 86 86 PHE CB C 86 40.732 41.966 -1.234 2 1 1010 . 1 1 A 86 86 PHE C C 86 171.607 172.703 -1.096 2 1 1012 . 1 1 A 87 87 TYR N N 87 124.521 125.468 -0.947 2 1 1013 . 1 1 A 87 87 TYR H H 87 9.179 9.140 0.039 2 1 1014 . 1 1 A 87 87 TYR CA C 87 57.832 58.341 -0.509 2 1 1015 . 1 1 A 87 87 TYR HA H 87 4.643 5.030 -0.387 2 1 1016 . 1 1 A 87 87 TYR CB C 87 40.731 39.798 0.933 2 1 1026 . 1 1 A 87 87 TYR C C 87 175.145 174.323 0.822 2 1 1028 . 1 1 A 88 88 VAL N N 88 129.828 126.969 2.859 2 1 1029 . 1 1 A 88 88 VAL H H 88 7.865 8.225 -0.360 2 1 1030 . 1 1 A 88 88 VAL CA C 88 61.875 61.508 0.367 2 1 1031 . 1 1 A 88 88 VAL HA H 88 4.219 4.506 -0.287 2 1 1032 . 1 1 A 88 88 VAL CB C 88 32.943 32.305 0.638 2 1 1042 . 1 1 A 88 88 VAL C C 88 174.472 175.151 -0.679 2 1 1043 . 1 1 A 89 89 ASN N N 89 124.798 126.339 -1.541 2 1 1044 . 1 1 A 89 89 ASN H H 89 8.649 8.803 -0.154 2 1 1045 . 1 1 A 89 89 ASN CA C 89 52.062 52.521 -0.459 2 1 1046 . 1 1 A 89 89 ASN HA H 89 5.024 5.072 -0.048 2 1 1047 . 1 1 A 89 89 ASN CB C 89 41.470 40.087 1.383 2 1 1052 . 1 1 A 89 89 ASN C C 89 175.232 174.673 0.559 2 1 1054 . 1 1 A 90 90 TYR N N 90 119.662 123.799 -4.137 2 1 1055 . 1 1 A 90 90 TYR H H 90 8.559 8.876 -0.317 2 1 1056 . 1 1 A 90 90 TYR CA C 90 58.020 56.939 1.081 2 1 1057 . 1 1 A 90 90 TYR HA H 90 4.485 4.884 -0.399 2 1 1058 . 1 1 A 90 90 TYR CB C 90 37.880 40.040 -2.160 2 1 1068 . 1 1 A 90 90 TYR C C 90 174.972 174.745 0.227 2 1 1070 . 1 1 A 91 91 PRO CA C 91 63.396 62.619 0.777 2 1 1071 . 1 1 A 91 91 PRO HA H 91 4.337 4.502 -0.165 2 1 1072 . 1 1 A 91 91 PRO CB C 91 32.028 31.444 0.584 2 1 1081 . 1 1 A 92 92 ASN N N 92 118.175 120.040 -1.865 2 1 1082 . 1 1 A 92 92 ASN H H 92 8.429 8.417 0.012 2 1 1083 . 1 1 A 92 92 ASN CA C 92 53.343 53.196 0.147 2 1 1084 . 1 1 A 92 92 ASN HA H 92 4.691 4.910 -0.219 2 1 1085 . 1 1 A 92 92 ASN CB C 92 39.000 39.323 -0.323 2 1 1091 . 1 1 A 93 93 SER N N 93 115.984 116.732 -0.748 2 1 1092 . 1 1 A 93 93 SER H H 93 8.344 8.543 -0.199 2 1 1093 . 1 1 A 93 93 SER CA C 93 58.618 58.053 0.565 2 1 1094 . 1 1 A 93 93 SER HA H 93 4.474 4.737 -0.263 2 1 1095 . 1 1 A 93 93 SER CB C 93 63.894 64.474 -0.580 2 1 1098 . 1 1 A 94 94 GLY N N 94 111.442 111.353 0.088 2 1 1099 . 1 1 A 94 94 GLY H H 94 8.499 8.452 0.047 2 1 1100 . 1 1 A 94 94 GLY CA C 94 45.417 45.515 -0.098 2 1 1101 . 1 1 A 94 94 GLY HA3 H 94 4.016 4.077 -0.061 2 1 1102 . 1 1 A 94 94 GLY C C 94 173.391 173.786 -0.395 2 1 1103 . 1 1 A 94 94 GLY HA2 H 94 4.016 4.069 -0.053 2 stop_ save_