data_15877_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15877 _Entry.PDB_ID 2K6Q _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 9 . 1 1 1 A 2 2 MET H H 1 8.414 7.540 0.874 1 1 10 . 1 1 1 A 2 2 MET HA H 1 4.826 4.424 0.402 1 1 18 . 1 1 1 A 2 2 MET CA C 1 53.382 54.360 -0.978 1 1 19 . 1 1 1 A 2 2 MET CB C 1 32.478 32.604 -0.126 1 1 22 . 1 1 1 A 2 2 MET N N 1 122.882 123.253 -0.371 1 1 23 . 1 1 1 A 3 3 PRO HA H 2 4.425 4.650 -0.225 1 1 30 . 1 1 1 A 3 3 PRO C C 2 176.847 176.314 0.533 1 1 31 . 1 1 1 A 3 3 PRO CA C 2 63.386 62.895 0.491 1 1 32 . 1 1 1 A 3 3 PRO CB C 2 32.077 32.566 -0.489 1 1 35 . 1 1 1 A 4 4 SER H H 3 8.347 8.875 -0.528 1 1 36 . 1 1 1 A 4 4 SER HA H 3 4.391 4.604 -0.213 1 1 39 . 1 1 1 A 4 4 SER C C 3 174.643 174.290 0.353 1 1 40 . 1 1 1 A 4 4 SER CA C 3 58.336 59.596 -1.260 1 1 41 . 1 1 1 A 4 4 SER CB C 3 63.798 65.053 -1.255 1 1 42 . 1 1 1 A 4 4 SER N N 3 115.234 115.058 0.176 1 1 43 . 1 1 1 A 5 5 GLU H H 4 8.472 7.671 0.801 1 1 44 . 1 1 1 A 5 5 GLU HA H 4 4.297 4.425 -0.128 1 1 49 . 1 1 1 A 5 5 GLU C C 4 176.352 176.462 -0.110 1 1 50 . 1 1 1 A 5 5 GLU CA C 4 56.572 56.347 0.225 1 1 51 . 1 1 1 A 5 5 GLU CB C 4 30.285 30.509 -0.224 1 1 53 . 1 1 1 A 5 5 GLU N N 4 123.045 118.241 4.804 1 1 54 . 1 1 1 A 6 6 LYS H H 5 8.214 8.421 -0.207 1 1 55 . 1 1 1 A 6 6 LYS HA H 5 4.500 4.338 0.162 1 1 64 . 1 1 1 A 6 6 LYS C C 5 177.243 176.074 1.169 1 1 65 . 1 1 1 A 6 6 LYS CA C 5 55.943 56.712 -0.769 1 1 66 . 1 1 1 A 6 6 LYS CB C 5 34.621 33.141 1.480 1 1 70 . 1 1 1 A 6 6 LYS N N 5 121.467 122.526 -1.059 1 1 71 . 1 1 1 A 7 7 THR H H 6 8.431 8.169 0.262 1 1 72 . 1 1 1 A 7 7 THR HA H 6 4.383 4.852 -0.469 1 1 77 . 1 1 1 A 7 7 THR C C 6 175.360 175.600 -0.240 1 1 78 . 1 1 1 A 7 7 THR CA C 6 61.124 59.436 1.688 1 1 79 . 1 1 1 A 7 7 THR CB C 6 69.863 70.870 -1.007 1 1 81 . 1 1 1 A 7 7 THR N N 6 114.691 114.310 0.381 1 1 82 . 1 1 1 A 8 8 PHE H H 7 10.194 9.468 0.726 1 1 83 . 1 1 1 A 8 8 PHE HA H 7 3.904 4.222 -0.318 1 1 88 . 1 1 1 A 8 8 PHE C C 7 177.000 177.595 -0.595 1 1 89 . 1 1 1 A 8 8 PHE CA C 7 63.388 60.531 2.857 1 1 90 . 1 1 1 A 8 8 PHE CB C 7 39.586 38.789 0.797 1 1 92 . 1 1 1 A 8 8 PHE N N 7 124.861 128.058 -3.197 1 1 93 . 1 1 1 A 9 9 LYS H H 8 8.707 8.232 0.475 1 1 94 . 1 1 1 A 9 9 LYS HA H 8 3.761 3.924 -0.163 1 1 103 . 1 1 1 A 9 9 LYS C C 8 177.496 178.753 -1.257 1 1 104 . 1 1 1 A 9 9 LYS CA C 8 59.945 58.925 1.020 1 1 105 . 1 1 1 A 9 9 LYS CB C 8 33.870 31.760 2.110 1 1 109 . 1 1 1 A 9 9 LYS N N 8 114.189 117.168 -2.979 1 1 110 . 1 1 1 A 10 10 GLN H H 9 7.284 8.164 -0.880 1 1 111 . 1 1 1 A 10 10 GLN HA H 9 4.113 4.128 -0.015 1 1 118 . 1 1 1 A 10 10 GLN C C 9 177.416 178.127 -0.711 1 1 119 . 1 1 1 A 10 10 GLN CA C 9 56.743 58.116 -1.373 1 1 120 . 1 1 1 A 10 10 GLN CB C 9 30.002 29.052 0.950 1 1 123 . 1 1 1 A 10 10 GLN N N 9 112.843 119.323 -6.480 1 1 125 . 1 1 1 A 11 11 ARG H H 10 7.889 8.474 -0.585 1 1 126 . 1 1 1 A 11 11 ARG HA H 10 4.255 3.963 0.292 1 1 133 . 1 1 1 A 11 11 ARG C C 10 175.059 176.809 -1.750 1 1 134 . 1 1 1 A 11 11 ARG CA C 10 57.018 59.602 -2.584 1 1 135 . 1 1 1 A 11 11 ARG CB C 10 31.628 30.335 1.293 1 1 138 . 1 1 1 A 11 11 ARG N N 10 117.567 120.677 -3.110 1 1 139 . 1 1 1 A 12 12 ARG H H 11 7.443 7.853 -0.410 1 1 140 . 1 1 1 A 12 12 ARG HA H 11 4.493 4.245 0.248 1 1 147 . 1 1 1 A 12 12 ARG CA C 11 54.172 56.788 -2.616 1 1 148 . 1 1 1 A 12 12 ARG CB C 11 32.857 30.452 2.405 1 1 151 . 1 1 1 A 12 12 ARG N N 11 122.786 120.749 2.037 1 1 152 . 1 1 1 A 13 13 SER HA H 12 4.403 4.601 -0.198 1 1 155 . 1 1 1 A 13 13 SER C C 12 174.222 175.399 -1.177 1 1 156 . 1 1 1 A 13 13 SER CA C 12 58.274 58.695 -0.421 1 1 157 . 1 1 1 A 13 13 SER CB C 12 64.821 63.361 1.460 1 1 158 . 1 1 1 A 14 14 PHE H H 13 9.239 9.156 0.083 1 1 159 . 1 1 1 A 14 14 PHE HA H 13 4.035 4.088 -0.053 1 1 165 . 1 1 1 A 14 14 PHE C C 13 176.023 176.937 -0.914 1 1 166 . 1 1 1 A 14 14 PHE CA C 13 62.790 62.634 0.156 1 1 167 . 1 1 1 A 14 14 PHE CB C 13 39.580 39.651 -0.071 1 1 169 . 1 1 1 A 14 14 PHE N N 13 123.729 123.790 -0.061 1 1 170 . 1 1 1 A 15 15 GLU H H 14 9.093 8.536 0.557 1 1 171 . 1 1 1 A 15 15 GLU HA H 14 3.813 3.896 -0.083 1 1 176 . 1 1 1 A 15 15 GLU C C 14 179.549 179.454 0.095 1 1 177 . 1 1 1 A 15 15 GLU CA C 14 60.444 59.832 0.612 1 1 178 . 1 1 1 A 15 15 GLU CB C 14 28.804 29.336 -0.532 1 1 180 . 1 1 1 A 15 15 GLU N N 14 115.336 117.617 -2.281 1 1 181 . 1 1 1 A 16 16 GLN H H 15 7.752 7.989 -0.237 1 1 182 . 1 1 1 A 16 16 GLN HA H 15 4.044 4.138 -0.094 1 1 189 . 1 1 1 A 16 16 GLN C C 15 177.931 178.848 -0.917 1 1 190 . 1 1 1 A 16 16 GLN CA C 15 58.486 58.903 -0.417 1 1 191 . 1 1 1 A 16 16 GLN CB C 15 29.393 28.326 1.067 1 1 194 . 1 1 1 A 16 16 GLN N N 15 119.145 118.448 0.697 1 1 196 . 1 1 1 A 17 17 ARG H H 16 8.577 8.384 0.193 1 1 197 . 1 1 1 A 17 17 ARG HA H 16 4.280 4.276 0.004 1 1 202 . 1 1 1 A 17 17 ARG C C 16 177.128 178.755 -1.627 1 1 203 . 1 1 1 A 17 17 ARG CA C 16 61.442 58.920 2.522 1 1 204 . 1 1 1 A 17 17 ARG N N 16 121.288 120.929 0.359 1 1 205 . 1 1 1 A 18 18 VAL H H 17 8.329 7.917 0.412 1 1 206 . 1 1 1 A 18 18 VAL HA H 17 3.938 3.738 0.200 1 1 214 . 1 1 1 A 18 18 VAL C C 17 179.744 177.636 2.108 1 1 215 . 1 1 1 A 18 18 VAL CA C 17 65.441 65.573 -0.132 1 1 216 . 1 1 1 A 18 18 VAL CB C 17 32.080 31.774 0.306 1 1 219 . 1 1 1 A 18 18 VAL N N 17 116.752 119.951 -3.199 1 1 220 . 1 1 1 A 19 19 GLU H H 18 7.445 8.527 -1.082 1 1 221 . 1 1 1 A 19 19 GLU HA H 18 4.270 3.891 0.379 1 1 226 . 1 1 1 A 19 19 GLU C C 18 177.625 178.134 -0.509 1 1 227 . 1 1 1 A 19 19 GLU CA C 18 58.637 59.787 -1.150 1 1 228 . 1 1 1 A 19 19 GLU CB C 18 29.398 29.171 0.227 1 1 230 . 1 1 1 A 19 19 GLU N N 18 120.323 120.460 -0.137 1 1 231 . 1 1 1 A 20 20 ASP H H 19 8.690 8.102 0.588 1 1 232 . 1 1 1 A 20 20 ASP HA H 19 4.514 4.348 0.166 1 1 235 . 1 1 1 A 20 20 ASP C C 19 179.877 178.870 1.007 1 1 236 . 1 1 1 A 20 20 ASP CA C 19 57.224 57.420 -0.196 1 1 237 . 1 1 1 A 20 20 ASP CB C 19 41.487 41.774 -0.287 1 1 238 . 1 1 1 A 20 20 ASP N N 19 120.313 120.130 0.183 1 1 239 . 1 1 1 A 21 21 VAL H H 20 7.731 7.836 -0.105 1 1 240 . 1 1 1 A 21 21 VAL HA H 20 3.394 3.190 0.204 1 1 248 . 1 1 1 A 21 21 VAL C C 20 176.989 177.553 -0.564 1 1 249 . 1 1 1 A 21 21 VAL CA C 20 65.989 66.228 -0.239 1 1 250 . 1 1 1 A 21 21 VAL CB C 20 31.291 31.375 -0.084 1 1 253 . 1 1 1 A 21 21 VAL N N 20 119.119 119.337 -0.218 1 1 254 . 1 1 1 A 22 22 ARG H H 21 8.313 8.076 0.237 1 1 255 . 1 1 1 A 22 22 ARG HA H 21 3.825 3.988 -0.163 1 1 263 . 1 1 1 A 22 22 ARG C C 21 180.178 178.701 1.477 1 1 264 . 1 1 1 A 22 22 ARG CA C 21 59.821 59.345 0.476 1 1 265 . 1 1 1 A 22 22 ARG CB C 21 30.164 30.090 0.074 1 1 269 . 1 1 1 A 22 22 ARG N N 21 120.772 119.983 0.789 1 1 271 . 1 1 1 A 23 23 LEU H H 22 8.306 7.521 0.785 1 1 272 . 1 1 1 A 23 23 LEU HA H 22 4.076 3.975 0.101 1 1 282 . 1 1 1 A 23 23 LEU C C 22 180.221 179.155 1.066 1 1 283 . 1 1 1 A 23 23 LEU CA C 22 57.541 57.906 -0.365 1 1 284 . 1 1 1 A 23 23 LEU CB C 22 42.300 41.971 0.329 1 1 288 . 1 1 1 A 23 23 LEU N N 22 116.413 119.237 -2.824 1 1 289 . 1 1 1 A 24 24 ILE H H 23 7.864 8.202 -0.338 1 1 290 . 1 1 1 A 24 24 ILE HA H 23 4.090 3.771 0.319 1 1 300 . 1 1 1 A 24 24 ILE C C 23 177.922 178.384 -0.462 1 1 301 . 1 1 1 A 24 24 ILE CA C 23 60.190 64.194 -4.004 1 1 302 . 1 1 1 A 24 24 ILE CB C 23 38.072 37.248 0.824 1 1 306 . 1 1 1 A 24 24 ILE N N 23 121.259 118.531 2.728 1 1 307 . 1 1 1 A 25 25 ARG H H 24 8.339 8.370 -0.031 1 1 308 . 1 1 1 A 25 25 ARG HA H 24 3.973 4.027 -0.054 1 1 316 . 1 1 1 A 25 25 ARG C C 24 178.479 178.040 0.439 1 1 317 . 1 1 1 A 25 25 ARG CA C 24 57.337 59.354 -2.017 1 1 318 . 1 1 1 A 25 25 ARG CB C 24 28.663 30.038 -1.375 1 1 322 . 1 1 1 A 25 25 ARG N N 24 121.816 121.646 0.170 1 1 324 . 1 1 1 A 26 26 GLU H H 25 7.133 8.472 -1.339 1 1 325 . 1 1 1 A 26 26 GLU HA H 25 4.052 4.201 -0.149 1 1 330 . 1 1 1 A 26 26 GLU C C 25 178.158 176.527 1.631 1 1 331 . 1 1 1 A 26 26 GLU CA C 25 58.367 57.297 1.070 1 1 332 . 1 1 1 A 26 26 GLU CB C 25 29.903 30.010 -0.107 1 1 334 . 1 1 1 A 26 26 GLU N N 25 116.794 117.495 -0.701 1 1 335 . 1 1 1 A 27 27 GLN H H 26 7.283 7.952 -0.669 1 1 336 . 1 1 1 A 27 27 GLN HA H 26 3.888 4.392 -0.504 1 1 343 . 1 1 1 A 27 27 GLN C C 26 176.088 175.873 0.215 1 1 344 . 1 1 1 A 27 27 GLN CA C 26 57.676 57.146 0.530 1 1 345 . 1 1 1 A 27 27 GLN CB C 26 30.382 31.262 -0.880 1 1 348 . 1 1 1 A 27 27 GLN N N 26 116.373 117.645 -1.272 1 1 350 . 1 1 1 A 28 28 HIS H H 27 8.223 8.597 -0.374 1 1 351 . 1 1 1 A 28 28 HIS HA H 27 4.941 5.044 -0.103 1 1 356 . 1 1 1 A 28 28 HIS CA C 27 53.278 53.145 0.133 1 1 357 . 1 1 1 A 28 28 HIS CB C 27 30.933 29.828 1.105 1 1 360 . 1 1 1 A 28 28 HIS N N 27 115.408 116.299 -0.891 1 1 361 . 1 1 1 A 29 29 PRO HA H 28 4.562 4.355 0.207 1 1 368 . 1 1 1 A 29 29 PRO C C 28 178.046 177.542 0.504 1 1 369 . 1 1 1 A 29 29 PRO CA C 28 64.821 64.581 0.240 1 1 370 . 1 1 1 A 29 29 PRO CB C 28 32.447 32.032 0.415 1 1 373 . 1 1 1 A 30 30 THR H H 29 7.820 7.760 0.060 1 1 374 . 1 1 1 A 30 30 THR HA H 29 4.583 4.342 0.241 1 1 379 . 1 1 1 A 30 30 THR C C 29 172.723 173.304 -0.581 1 1 380 . 1 1 1 A 30 30 THR CA C 29 60.826 61.475 -0.649 1 1 381 . 1 1 1 A 30 30 THR CB C 29 68.641 68.973 -0.332 1 1 383 . 1 1 1 A 30 30 THR N N 29 106.682 107.812 -1.130 1 1 384 . 1 1 1 A 31 31 LYS H H 30 7.453 7.524 -0.071 1 1 385 . 1 1 1 A 31 31 LYS HA H 30 4.850 4.989 -0.139 1 1 394 . 1 1 1 A 31 31 LYS C C 30 174.296 174.703 -0.407 1 1 395 . 1 1 1 A 31 31 LYS CA C 30 53.944 54.675 -0.731 1 1 396 . 1 1 1 A 31 31 LYS CB C 30 36.098 36.721 -0.623 1 1 400 . 1 1 1 A 31 31 LYS N N 30 117.809 120.501 -2.692 1 1 401 . 1 1 1 A 32 32 ILE H H 31 9.265 9.383 -0.118 1 1 402 . 1 1 1 A 32 32 ILE HA H 31 4.106 4.237 -0.131 1 1 412 . 1 1 1 A 32 32 ILE CA C 31 54.606 57.459 -2.853 1 1 413 . 1 1 1 A 32 32 ILE CB C 31 38.448 38.409 0.039 1 1 417 . 1 1 1 A 32 32 ILE N N 31 122.497 123.029 -0.532 1 1 418 . 1 1 1 A 33 33 PRO HA H 32 5.252 4.865 0.387 1 1 425 . 1 1 1 A 33 33 PRO C C 32 174.652 176.667 -2.015 1 1 426 . 1 1 1 A 33 33 PRO CA C 32 61.704 62.486 -0.782 1 1 427 . 1 1 1 A 33 33 PRO CB C 32 31.873 31.908 -0.035 1 1 430 . 1 1 1 A 34 34 VAL H H 33 9.359 8.651 0.708 1 1 431 . 1 1 1 A 34 34 VAL HA H 33 5.298 5.039 0.259 1 1 439 . 1 1 1 A 34 34 VAL C C 33 173.633 174.792 -1.159 1 1 440 . 1 1 1 A 34 34 VAL CA C 33 59.830 59.588 0.242 1 1 441 . 1 1 1 A 34 34 VAL CB C 33 36.154 36.069 0.085 1 1 444 . 1 1 1 A 34 34 VAL N N 33 124.496 116.694 7.802 1 1 445 . 1 1 1 A 35 35 ILE H H 34 8.667 9.115 -0.448 1 1 446 . 1 1 1 A 35 35 ILE HA H 34 4.867 4.721 0.146 1 1 456 . 1 1 1 A 35 35 ILE C C 34 175.770 174.851 0.919 1 1 457 . 1 1 1 A 35 35 ILE CA C 34 56.320 60.273 -3.953 1 1 458 . 1 1 1 A 35 35 ILE CB C 34 36.909 39.355 -2.446 1 1 462 . 1 1 1 A 35 35 ILE N N 34 127.447 122.878 4.569 1 1 463 . 1 1 1 A 36 36 ILE H H 35 8.422 8.886 -0.464 1 1 464 . 1 1 1 A 36 36 ILE HA H 35 4.890 5.219 -0.329 1 1 474 . 1 1 1 A 36 36 ILE C C 35 175.098 176.046 -0.948 1 1 475 . 1 1 1 A 36 36 ILE CA C 35 60.806 60.307 0.499 1 1 476 . 1 1 1 A 36 36 ILE CB C 35 39.357 38.427 0.930 1 1 480 . 1 1 1 A 36 36 ILE N N 35 124.267 128.909 -4.642 1 1 481 . 1 1 1 A 37 37 GLU H H 36 8.335 8.569 -0.234 1 1 482 . 1 1 1 A 37 37 GLU HA H 36 4.820 4.900 -0.080 1 1 487 . 1 1 1 A 37 37 GLU C C 36 173.502 175.539 -2.037 1 1 488 . 1 1 1 A 37 37 GLU CA C 36 54.214 54.193 0.021 1 1 489 . 1 1 1 A 37 37 GLU CB C 36 35.547 33.477 2.070 1 1 491 . 1 1 1 A 37 37 GLU N N 36 123.296 125.542 -2.246 1 1 492 . 1 1 1 A 38 38 ARG H H 37 8.891 8.053 0.838 1 1 493 . 1 1 1 A 38 38 ARG HA H 37 2.755 3.180 -0.425 1 1 501 . 1 1 1 A 38 38 ARG C C 37 176.165 175.349 0.816 1 1 502 . 1 1 1 A 38 38 ARG CA C 37 56.235 55.829 0.406 1 1 503 . 1 1 1 A 38 38 ARG CB C 37 31.328 30.153 1.175 1 1 507 . 1 1 1 A 38 38 ARG N N 37 123.143 121.543 1.600 1 1 509 . 1 1 1 A 39 39 TYR H H 38 8.681 7.959 0.722 1 1 510 . 1 1 1 A 39 39 TYR HA H 38 4.331 4.364 -0.033 1 1 517 . 1 1 1 A 39 39 TYR C C 38 177.064 175.755 1.309 1 1 518 . 1 1 1 A 39 39 TYR CA C 38 57.769 58.895 -1.126 1 1 519 . 1 1 1 A 39 39 TYR CB C 38 39.552 38.838 0.714 1 1 522 . 1 1 1 A 39 39 TYR N N 38 128.699 122.772 5.927 1 1 523 . 1 1 1 A 40 40 LYS H H 39 8.454 8.140 0.314 1 1 524 . 1 1 1 A 40 40 LYS HA H 39 3.841 3.699 0.142 1 1 533 . 1 1 1 A 40 40 LYS C C 39 176.290 177.151 -0.861 1 1 534 . 1 1 1 A 40 40 LYS CA C 39 58.772 57.908 0.864 1 1 535 . 1 1 1 A 40 40 LYS CB C 39 31.738 31.607 0.131 1 1 539 . 1 1 1 A 40 40 LYS N N 39 130.022 125.670 4.352 1 1 540 . 1 1 1 A 41 41 GLY H H 40 5.457 8.710 -3.253 1 1 541 . 1 1 1 A 41 41 GLY HA2 H 40 3.306 4.027 -0.721 1 1 542 . 1 1 1 A 41 41 GLY HA3 H 40 3.999 4.124 -0.125 1 1 543 . 1 1 1 A 41 41 GLY C C 40 173.426 174.448 -1.022 1 1 544 . 1 1 1 A 41 41 GLY CA C 40 44.673 45.176 -0.503 1 1 545 . 1 1 1 A 41 41 GLY N N 40 104.628 112.894 -8.266 1 1 546 . 1 1 1 A 42 42 GLU H H 41 7.440 8.557 -1.117 1 1 547 . 1 1 1 A 42 42 GLU HA H 41 4.278 4.410 -0.132 1 1 552 . 1 1 1 A 42 42 GLU C C 41 176.306 176.566 -0.260 1 1 553 . 1 1 1 A 42 42 GLU CA C 41 56.358 56.058 0.300 1 1 554 . 1 1 1 A 42 42 GLU CB C 41 31.014 29.779 1.235 1 1 556 . 1 1 1 A 42 42 GLU N N 41 122.648 121.252 1.396 1 1 557 . 1 1 1 A 43 43 LYS H H 42 8.912 8.458 0.454 1 1 558 . 1 1 1 A 43 43 LYS HA H 42 4.680 4.705 -0.025 1 1 567 . 1 1 1 A 43 43 LYS C C 42 177.063 178.051 -0.988 1 1 568 . 1 1 1 A 43 43 LYS CA C 42 55.652 56.901 -1.249 1 1 569 . 1 1 1 A 43 43 LYS CB C 42 34.871 33.673 1.198 1 1 573 . 1 1 1 A 43 43 LYS N N 42 123.569 122.619 0.950 1 1 574 . 1 1 1 A 44 44 GLN H H 43 8.446 7.828 0.618 1 1 575 . 1 1 1 A 44 44 GLN HA H 43 4.545 4.219 0.326 1 1 582 . 1 1 1 A 44 44 GLN C C 43 177.152 176.801 0.351 1 1 583 . 1 1 1 A 44 44 GLN CA C 43 57.561 58.045 -0.484 1 1 584 . 1 1 1 A 44 44 GLN CB C 43 30.671 29.147 1.524 1 1 587 . 1 1 1 A 44 44 GLN N N 43 118.990 117.962 1.028 1 1 589 . 1 1 1 A 45 45 LEU H H 44 9.043 8.029 1.014 1 1 590 . 1 1 1 A 45 45 LEU HA H 44 4.716 4.502 0.214 1 1 600 . 1 1 1 A 45 45 LEU CA C 44 53.078 53.899 -0.821 1 1 601 . 1 1 1 A 45 45 LEU CB C 44 43.614 41.708 1.906 1 1 605 . 1 1 1 A 45 45 LEU N N 44 120.375 120.634 -0.259 1 1 606 . 1 1 1 A 46 46 PRO HA H 45 4.723 4.661 0.062 1 1 613 . 1 1 1 A 46 46 PRO C C 45 175.883 176.385 -0.502 1 1 614 . 1 1 1 A 46 46 PRO CA C 45 62.005 62.250 -0.245 1 1 615 . 1 1 1 A 46 46 PRO CB C 45 32.609 32.452 0.157 1 1 618 . 1 1 1 A 47 47 VAL H H 46 8.437 8.422 0.015 1 1 619 . 1 1 1 A 47 47 VAL HA H 46 3.914 4.612 -0.698 1 1 627 . 1 1 1 A 47 47 VAL C C 46 175.367 176.146 -0.779 1 1 628 . 1 1 1 A 47 47 VAL CA C 46 62.700 62.608 0.092 1 1 629 . 1 1 1 A 47 47 VAL CB C 46 32.927 32.457 0.470 1 1 632 . 1 1 1 A 47 47 VAL N N 46 118.440 121.517 -3.077 1 1 633 . 1 1 1 A 48 48 LEU H H 47 7.863 9.137 -1.274 1 1 634 . 1 1 1 A 48 48 LEU HA H 47 4.384 4.119 0.265 1 1 644 . 1 1 1 A 48 48 LEU C C 47 176.088 177.948 -1.860 1 1 645 . 1 1 1 A 48 48 LEU CA C 47 54.851 55.923 -1.072 1 1 646 . 1 1 1 A 48 48 LEU CB C 47 43.841 43.767 0.074 1 1 650 . 1 1 1 A 48 48 LEU N N 47 129.127 129.476 -0.349 1 1 651 . 1 1 1 A 49 49 ASP H H 48 8.699 8.775 -0.076 1 1 652 . 1 1 1 A 49 49 ASP HA H 48 4.293 4.471 -0.178 1 1 655 . 1 1 1 A 49 49 ASP C C 48 175.121 175.907 -0.786 1 1 656 . 1 1 1 A 49 49 ASP CA C 48 55.717 57.088 -1.371 1 1 657 . 1 1 1 A 49 49 ASP CB C 48 40.260 41.255 -0.995 1 1 658 . 1 1 1 A 49 49 ASP N N 48 121.389 125.387 -3.998 1 1 659 . 1 1 1 A 50 50 LYS H H 49 7.251 7.770 -0.519 1 1 660 . 1 1 1 A 50 50 LYS HA H 49 4.540 4.697 -0.157 1 1 669 . 1 1 1 A 50 50 LYS C C 49 174.664 176.087 -1.423 1 1 670 . 1 1 1 A 50 50 LYS CA C 49 53.211 54.382 -1.171 1 1 671 . 1 1 1 A 50 50 LYS CB C 49 35.514 36.045 -0.531 1 1 675 . 1 1 1 A 50 50 LYS N N 49 118.260 116.169 2.091 1 1 676 . 1 1 1 A 51 51 THR H H 50 8.162 8.282 -0.120 1 1 677 . 1 1 1 A 51 51 THR HA H 50 4.685 4.704 -0.019 1 1 682 . 1 1 1 A 51 51 THR C C 50 171.631 174.631 -3.000 1 1 683 . 1 1 1 A 51 51 THR CA C 50 63.581 63.512 0.069 1 1 684 . 1 1 1 A 51 51 THR CB C 50 71.587 69.993 1.594 1 1 686 . 1 1 1 A 51 51 THR N N 50 112.535 114.364 -1.829 1 1 687 . 1 1 1 A 52 52 LYS H H 51 6.971 7.589 -0.618 1 1 688 . 1 1 1 A 52 52 LYS HA H 51 4.443 4.934 -0.491 1 1 697 . 1 1 1 A 52 52 LYS C C 51 175.417 175.836 -0.419 1 1 698 . 1 1 1 A 52 52 LYS CA C 51 55.209 55.302 -0.093 1 1 699 . 1 1 1 A 52 52 LYS CB C 51 33.309 34.367 -1.058 1 1 703 . 1 1 1 A 52 52 LYS N N 51 120.227 118.142 2.085 1 1 704 . 1 1 1 A 53 53 PHE H H 52 9.688 8.875 0.813 1 1 705 . 1 1 1 A 53 53 PHE HA H 52 5.675 5.038 0.637 1 1 712 . 1 1 1 A 53 53 PHE C C 52 174.348 174.794 -0.446 1 1 713 . 1 1 1 A 53 53 PHE CA C 52 56.625 56.830 -0.205 1 1 714 . 1 1 1 A 53 53 PHE CB C 52 43.109 42.763 0.346 1 1 716 . 1 1 1 A 53 53 PHE N N 52 124.646 120.637 4.009 1 1 717 . 1 1 1 A 54 54 LEU H H 53 8.470 9.046 -0.576 1 1 718 . 1 1 1 A 54 54 LEU HA H 53 5.044 4.987 0.057 1 1 728 . 1 1 1 A 54 54 LEU C C 53 176.144 175.896 0.248 1 1 729 . 1 1 1 A 54 54 LEU CA C 53 52.954 53.568 -0.614 1 1 730 . 1 1 1 A 54 54 LEU CB C 53 45.081 42.081 3.000 1 1 734 . 1 1 1 A 54 54 LEU N N 53 119.430 124.384 -4.954 1 1 735 . 1 1 1 A 55 55 VAL H H 54 8.802 8.509 0.293 1 1 736 . 1 1 1 A 55 55 VAL HA H 54 4.640 4.577 0.063 1 1 744 . 1 1 1 A 55 55 VAL CA C 54 58.549 59.091 -0.542 1 1 745 . 1 1 1 A 55 55 VAL CB C 54 35.342 32.124 3.218 1 1 748 . 1 1 1 A 55 55 VAL N N 54 123.841 125.808 -1.967 1 1 749 . 1 1 1 A 56 56 PRO HA H 55 4.439 4.726 -0.287 1 1 756 . 1 1 1 A 56 56 PRO C C 55 176.666 176.417 0.249 1 1 757 . 1 1 1 A 56 56 PRO CA C 55 64.256 62.615 1.641 1 1 758 . 1 1 1 A 56 56 PRO CB C 55 32.783 32.312 0.471 1 1 761 . 1 1 1 A 57 57 ASP H H 56 8.412 7.903 0.509 1 1 762 . 1 1 1 A 57 57 ASP HA H 56 3.848 4.627 -0.779 1 1 765 . 1 1 1 A 57 57 ASP C C 56 175.417 176.651 -1.234 1 1 766 . 1 1 1 A 57 57 ASP CA C 56 56.616 53.797 2.819 1 1 767 . 1 1 1 A 57 57 ASP CB C 56 40.410 40.354 0.056 1 1 768 . 1 1 1 A 57 57 ASP N N 56 120.415 122.079 -1.664 1 1 769 . 1 1 1 A 58 58 HIS H H 57 7.373 7.977 -0.604 1 1 770 . 1 1 1 A 58 58 HIS HA H 57 4.770 4.844 -0.074 1 1 775 . 1 1 1 A 58 58 HIS C C 57 176.594 174.090 2.504 1 1 776 . 1 1 1 A 58 58 HIS CA C 57 55.584 55.152 0.432 1 1 777 . 1 1 1 A 58 58 HIS CB C 57 30.628 31.341 -0.713 1 1 780 . 1 1 1 A 58 58 HIS N N 57 113.439 114.457 -1.018 1 1 781 . 1 1 1 A 59 59 VAL H H 58 7.249 7.715 -0.466 1 1 782 . 1 1 1 A 59 59 VAL HA H 58 3.903 4.810 -0.907 1 1 790 . 1 1 1 A 59 59 VAL C C 58 175.014 173.799 1.215 1 1 791 . 1 1 1 A 59 59 VAL CA C 58 62.726 59.069 3.657 1 1 792 . 1 1 1 A 59 59 VAL CB C 58 32.190 36.425 -4.235 1 1 795 . 1 1 1 A 59 59 VAL N N 58 122.597 115.788 6.809 1 1 796 . 1 1 1 A 60 60 ASN H H 59 8.677 8.383 0.294 1 1 797 . 1 1 1 A 60 60 ASN HA H 59 5.187 5.149 0.038 1 1 802 . 1 1 1 A 60 60 ASN C C 59 176.477 177.117 -0.640 1 1 803 . 1 1 1 A 60 60 ASN CA C 59 51.181 51.359 -0.178 1 1 804 . 1 1 1 A 60 60 ASN CB C 59 39.947 41.041 -1.094 1 1 806 . 1 1 1 A 60 60 ASN N N 59 122.962 118.986 3.976 1 1 808 . 1 1 1 A 61 61 MET H H 60 8.038 8.645 -0.607 1 1 809 . 1 1 1 A 61 61 MET HA H 60 4.426 4.213 0.213 1 1 817 . 1 1 1 A 61 61 MET C C 60 177.996 178.429 -0.433 1 1 818 . 1 1 1 A 61 61 MET CA C 60 57.118 58.417 -1.299 1 1 819 . 1 1 1 A 61 61 MET CB C 60 29.998 32.049 -2.051 1 1 822 . 1 1 1 A 61 61 MET N N 60 116.814 120.507 -3.693 1 1 823 . 1 1 1 A 62 62 SER H H 61 8.401 8.221 0.180 1 1 824 . 1 1 1 A 62 62 SER HA H 61 4.132 4.108 0.024 1 1 827 . 1 1 1 A 62 62 SER C C 61 177.255 177.262 -0.007 1 1 828 . 1 1 1 A 62 62 SER CA C 61 61.559 61.500 0.059 1 1 829 . 1 1 1 A 62 62 SER CB C 61 62.430 63.145 -0.715 1 1 830 . 1 1 1 A 62 62 SER N N 61 114.109 115.445 -1.336 1 1 831 . 1 1 1 A 63 63 GLU H H 62 8.014 8.315 -0.301 1 1 832 . 1 1 1 A 63 63 GLU HA H 62 4.016 4.000 0.016 1 1 837 . 1 1 1 A 63 63 GLU C C 62 178.327 178.865 -0.538 1 1 838 . 1 1 1 A 63 63 GLU CA C 62 58.787 59.358 -0.571 1 1 839 . 1 1 1 A 63 63 GLU CB C 62 29.814 29.469 0.345 1 1 841 . 1 1 1 A 63 63 GLU N N 62 122.806 121.504 1.302 1 1 842 . 1 1 1 A 64 64 LEU H H 63 8.254 8.221 0.033 1 1 843 . 1 1 1 A 64 64 LEU HA H 63 3.932 3.983 -0.051 1 1 853 . 1 1 1 A 64 64 LEU C C 63 178.029 178.500 -0.471 1 1 854 . 1 1 1 A 64 64 LEU CA C 63 57.986 57.972 0.014 1 1 855 . 1 1 1 A 64 64 LEU CB C 63 41.377 41.906 -0.529 1 1 859 . 1 1 1 A 64 64 LEU N N 63 120.526 121.748 -1.222 1 1 860 . 1 1 1 A 65 65 ILE H H 64 8.415 8.538 -0.123 1 1 861 . 1 1 1 A 65 65 ILE HA H 64 3.377 3.774 -0.397 1 1 871 . 1 1 1 A 65 65 ILE C C 64 177.078 177.971 -0.893 1 1 872 . 1 1 1 A 65 65 ILE CA C 64 66.699 65.522 1.177 1 1 873 . 1 1 1 A 65 65 ILE CB C 64 38.128 37.740 0.388 1 1 877 . 1 1 1 A 65 65 ILE N N 64 118.349 119.764 -1.415 1 1 878 . 1 1 1 A 66 66 LYS H H 65 7.366 8.001 -0.635 1 1 879 . 1 1 1 A 66 66 LYS HA H 65 3.696 4.080 -0.384 1 1 888 . 1 1 1 A 66 66 LYS C C 65 179.260 179.221 0.039 1 1 889 . 1 1 1 A 66 66 LYS CA C 65 60.593 58.652 1.941 1 1 890 . 1 1 1 A 66 66 LYS CB C 65 32.421 32.185 0.236 1 1 894 . 1 1 1 A 66 66 LYS N N 65 118.334 119.289 -0.955 1 1 895 . 1 1 1 A 67 67 ILE H H 66 8.179 8.108 0.071 1 1 896 . 1 1 1 A 67 67 ILE HA H 66 3.546 3.738 -0.192 1 1 906 . 1 1 1 A 67 67 ILE C C 66 178.784 178.022 0.762 1 1 907 . 1 1 1 A 67 67 ILE CA C 66 65.488 64.909 0.579 1 1 908 . 1 1 1 A 67 67 ILE CB C 66 38.593 38.020 0.573 1 1 912 . 1 1 1 A 67 67 ILE N N 66 119.791 119.915 -0.124 1 1 913 . 1 1 1 A 68 68 ILE H H 67 8.279 8.514 -0.235 1 1 914 . 1 1 1 A 68 68 ILE HA H 67 3.391 3.354 0.037 1 1 924 . 1 1 1 A 68 68 ILE C C 67 177.403 177.439 -0.036 1 1 925 . 1 1 1 A 68 68 ILE CA C 67 63.144 65.359 -2.215 1 1 926 . 1 1 1 A 68 68 ILE CB C 67 35.269 37.723 -2.454 1 1 930 . 1 1 1 A 68 68 ILE N N 67 120.267 121.152 -0.885 1 1 931 . 1 1 1 A 69 69 ARG H H 68 8.454 8.313 0.141 1 1 932 . 1 1 1 A 69 69 ARG HA H 68 2.966 3.380 -0.414 1 1 939 . 1 1 1 A 69 69 ARG C C 68 178.385 178.959 -0.574 1 1 940 . 1 1 1 A 69 69 ARG CA C 68 60.642 59.840 0.802 1 1 941 . 1 1 1 A 69 69 ARG CB C 68 30.442 29.751 0.691 1 1 944 . 1 1 1 A 69 69 ARG N N 68 118.881 118.742 0.139 1 1 945 . 1 1 1 A 70 70 ARG H H 69 7.492 7.817 -0.325 1 1 946 . 1 1 1 A 70 70 ARG HA H 69 4.164 3.944 0.220 1 1 954 . 1 1 1 A 70 70 ARG C C 69 180.253 178.829 1.424 1 1 955 . 1 1 1 A 70 70 ARG CA C 69 58.510 60.088 -1.578 1 1 956 . 1 1 1 A 70 70 ARG CB C 69 29.587 30.005 -0.418 1 1 960 . 1 1 1 A 70 70 ARG N N 69 116.411 119.139 -2.728 1 1 962 . 1 1 1 A 71 71 ARG H H 70 8.086 7.942 0.144 1 1 963 . 1 1 1 A 71 71 ARG HA H 70 4.025 4.027 -0.002 1 1 970 . 1 1 1 A 71 71 ARG C C 70 178.558 178.520 0.038 1 1 971 . 1 1 1 A 71 71 ARG CA C 70 59.428 58.982 0.446 1 1 972 . 1 1 1 A 71 71 ARG CB C 70 30.235 30.149 0.086 1 1 975 . 1 1 1 A 71 71 ARG N N 70 122.779 119.335 3.444 1 1 976 . 1 1 1 A 72 72 LEU H H 71 7.755 7.770 -0.015 1 1 977 . 1 1 1 A 72 72 LEU HA H 71 4.081 4.093 -0.012 1 1 987 . 1 1 1 A 72 72 LEU C C 71 174.852 176.628 -1.776 1 1 988 . 1 1 1 A 72 72 LEU CA C 71 55.060 55.640 -0.580 1 1 989 . 1 1 1 A 72 72 LEU CB C 71 43.109 41.712 1.397 1 1 993 . 1 1 1 A 72 72 LEU N N 71 116.551 118.993 -2.442 1 1 994 . 1 1 1 A 73 73 GLN H H 72 7.740 8.188 -0.448 1 1 995 . 1 1 1 A 73 73 GLN HA H 72 3.853 3.943 -0.090 1 1 1002 . 1 1 1 A 73 73 GLN C C 72 175.619 174.801 0.818 1 1 1003 . 1 1 1 A 73 73 GLN CA C 72 56.273 56.508 -0.235 1 1 1004 . 1 1 1 A 73 73 GLN CB C 72 25.939 26.471 -0.532 1 1 1007 . 1 1 1 A 73 73 GLN N N 72 114.737 117.865 -3.128 1 1 1009 . 1 1 1 A 74 74 LEU H H 73 7.525 7.813 -0.288 1 1 1010 . 1 1 1 A 74 74 LEU HA H 73 4.242 4.430 -0.188 1 1 1020 . 1 1 1 A 74 74 LEU C C 73 178.611 176.855 1.756 1 1 1021 . 1 1 1 A 74 74 LEU CA C 73 54.382 54.363 0.019 1 1 1022 . 1 1 1 A 74 74 LEU CB C 73 41.995 42.562 -0.567 1 1 1026 . 1 1 1 A 74 74 LEU N N 73 114.861 120.336 -5.475 1 1 1027 . 1 1 1 A 75 75 ASN H H 74 8.970 8.811 0.159 1 1 1028 . 1 1 1 A 75 75 ASN HA H 74 4.694 4.924 -0.230 1 1 1033 . 1 1 1 A 75 75 ASN C C 74 176.527 176.668 -0.141 1 1 1034 . 1 1 1 A 75 75 ASN CA C 74 52.686 52.592 0.094 1 1 1035 . 1 1 1 A 75 75 ASN CB C 74 39.583 39.564 0.019 1 1 1037 . 1 1 1 A 75 75 ASN N N 74 121.274 119.569 1.705 1 1 1039 . 1 1 1 A 76 76 ALA H H 75 8.697 8.800 -0.103 1 1 1040 . 1 1 1 A 76 76 ALA HA H 75 3.966 4.127 -0.161 1 1 1044 . 1 1 1 A 76 76 ALA C C 75 178.002 178.324 -0.322 1 1 1045 . 1 1 1 A 76 76 ALA CA C 75 54.797 54.051 0.746 1 1 1046 . 1 1 1 A 76 76 ALA CB C 75 18.669 18.716 -0.047 1 1 1047 . 1 1 1 A 76 76 ALA N N 75 123.590 123.471 0.119 1 1 1048 . 1 1 1 A 77 77 ASN H H 76 8.344 7.892 0.452 1 1 1049 . 1 1 1 A 77 77 ASN HA H 76 4.585 4.706 -0.121 1 1 1054 . 1 1 1 A 77 77 ASN C C 76 175.371 176.059 -0.688 1 1 1055 . 1 1 1 A 77 77 ASN CA C 76 53.183 54.529 -1.346 1 1 1056 . 1 1 1 A 77 77 ASN CB C 76 38.277 39.362 -1.085 1 1 1058 . 1 1 1 A 77 77 ASN N N 76 112.004 115.516 -3.512 1 1 1060 . 1 1 1 A 78 78 GLN H H 77 7.532 8.012 -0.480 1 1 1061 . 1 1 1 A 78 78 GLN HA H 77 4.281 4.315 -0.034 1 1 1068 . 1 1 1 A 78 78 GLN C C 77 175.001 175.155 -0.154 1 1 1069 . 1 1 1 A 78 78 GLN CA C 77 55.875 56.492 -0.617 1 1 1070 . 1 1 1 A 78 78 GLN CB C 77 30.227 29.168 1.059 1 1 1073 . 1 1 1 A 78 78 GLN N N 77 120.237 118.250 1.987 1 1 1075 . 1 1 1 A 79 79 ALA H H 78 8.732 8.428 0.304 1 1 1076 . 1 1 1 A 79 79 ALA HA H 78 4.183 5.336 -1.153 1 1 1080 . 1 1 1 A 79 79 ALA C C 78 176.367 175.654 0.713 1 1 1081 . 1 1 1 A 79 79 ALA CA C 78 52.798 50.221 2.577 1 1 1082 . 1 1 1 A 79 79 ALA CB C 78 20.051 21.651 -1.600 1 1 1083 . 1 1 1 A 79 79 ALA N N 78 130.399 123.053 7.346 1 1 1084 . 1 1 1 A 80 80 PHE H H 79 7.603 8.637 -1.034 1 1 1085 . 1 1 1 A 80 80 PHE HA H 79 4.449 5.254 -0.805 1 1 1093 . 1 1 1 A 80 80 PHE C C 79 171.709 173.120 -1.411 1 1 1094 . 1 1 1 A 80 80 PHE CA C 79 59.101 56.801 2.300 1 1 1095 . 1 1 1 A 80 80 PHE CB C 79 42.282 42.573 -0.291 1 1 1099 . 1 1 1 A 80 80 PHE N N 79 118.988 123.801 -4.813 1 1 1100 . 1 1 1 A 81 81 PHE H H 80 8.507 9.073 -0.566 1 1 1101 . 1 1 1 A 81 81 PHE HA H 80 4.421 4.448 -0.027 1 1 1109 . 1 1 1 A 81 81 PHE C C 80 172.644 173.873 -1.229 1 1 1110 . 1 1 1 A 81 81 PHE CA C 80 56.711 55.833 0.878 1 1 1111 . 1 1 1 A 81 81 PHE CB C 80 41.880 41.909 -0.029 1 1 1115 . 1 1 1 A 81 81 PHE N N 80 126.042 124.967 1.075 1 1 1116 . 1 1 1 A 82 82 LEU H H 81 8.199 8.485 -0.286 1 1 1117 . 1 1 1 A 82 82 LEU HA H 81 4.883 4.823 0.060 1 1 1127 . 1 1 1 A 82 82 LEU C C 81 174.440 174.795 -0.355 1 1 1128 . 1 1 1 A 82 82 LEU CA C 81 53.153 54.240 -1.087 1 1 1129 . 1 1 1 A 82 82 LEU CB C 81 45.520 42.712 2.808 1 1 1133 . 1 1 1 A 82 82 LEU N N 81 121.512 126.392 -4.880 1 1 1134 . 1 1 1 A 83 83 LEU H H 82 9.349 9.617 -0.268 1 1 1135 . 1 1 1 A 83 83 LEU HA H 82 4.810 4.798 0.012 1 1 1145 . 1 1 1 A 83 83 LEU C C 82 177.075 175.799 1.276 1 1 1146 . 1 1 1 A 83 83 LEU CA C 82 54.122 53.618 0.504 1 1 1147 . 1 1 1 A 83 83 LEU CB C 82 43.394 42.108 1.286 1 1 1151 . 1 1 1 A 83 83 LEU N N 82 125.253 129.204 -3.951 1 1 1152 . 1 1 1 A 84 84 VAL H H 83 8.681 9.000 -0.319 1 1 1153 . 1 1 1 A 84 84 VAL HA H 83 4.411 4.230 0.181 1 1 1161 . 1 1 1 A 84 84 VAL C C 83 175.797 176.138 -0.341 1 1 1162 . 1 1 1 A 84 84 VAL CA C 83 61.630 61.560 0.070 1 1 1163 . 1 1 1 A 84 84 VAL CB C 83 33.647 31.331 2.316 1 1 1166 . 1 1 1 A 84 84 VAL N N 83 123.543 125.403 -1.860 1 1 1167 . 1 1 1 A 85 85 ASN H H 84 9.622 9.275 0.347 1 1 1168 . 1 1 1 A 85 85 ASN HA H 84 4.399 4.642 -0.243 1 1 1173 . 1 1 1 A 85 85 ASN C C 84 175.042 175.020 0.022 1 1 1174 . 1 1 1 A 85 85 ASN CA C 84 54.610 54.201 0.409 1 1 1175 . 1 1 1 A 85 85 ASN CB C 84 37.927 36.855 1.072 1 1 1177 . 1 1 1 A 85 85 ASN N N 84 125.848 127.295 -1.447 1 1 1179 . 1 1 1 A 86 86 GLY H H 85 8.551 8.314 0.237 1 1 1180 . 1 1 1 A 86 86 GLY HA2 H 85 3.368 3.921 -0.553 1 1 1181 . 1 1 1 A 86 86 GLY HA3 H 85 4.064 3.936 0.128 1 1 1182 . 1 1 1 A 86 86 GLY C C 85 173.524 173.605 -0.081 1 1 1183 . 1 1 1 A 86 86 GLY CA C 85 45.588 45.287 0.301 1 1 1184 . 1 1 1 A 86 86 GLY N N 85 101.093 105.001 -3.908 1 1 1185 . 1 1 1 A 87 87 HIS H H 86 7.906 7.447 0.459 1 1 1186 . 1 1 1 A 87 87 HIS HA H 86 5.003 5.194 -0.191 1 1 1191 . 1 1 1 A 87 87 HIS C C 86 173.910 174.298 -0.388 1 1 1192 . 1 1 1 A 87 87 HIS CA C 86 54.213 53.663 0.550 1 1 1193 . 1 1 1 A 87 87 HIS CB C 86 31.482 32.770 -1.288 1 1 1196 . 1 1 1 A 87 87 HIS N N 86 117.253 115.804 1.449 1 1 1197 . 1 1 1 A 88 88 SER H H 87 8.846 8.982 -0.136 1 1 1198 . 1 1 1 A 88 88 SER HA H 87 4.702 4.456 0.246 1 1 1201 . 1 1 1 A 88 88 SER C C 87 175.739 175.397 0.342 1 1 1202 . 1 1 1 A 88 88 SER CA C 87 58.245 58.160 0.085 1 1 1203 . 1 1 1 A 88 88 SER CB C 87 63.764 64.868 -1.104 1 1 1204 . 1 1 1 A 88 88 SER N N 87 117.469 115.495 1.974 1 1 1205 . 1 1 1 A 89 89 MET H H 88 9.174 8.450 0.724 1 1 1206 . 1 1 1 A 89 89 MET HA H 88 4.820 4.947 -0.127 1 1 1214 . 1 1 1 A 89 89 MET C C 88 176.294 177.057 -0.763 1 1 1215 . 1 1 1 A 89 89 MET CA C 88 54.853 54.092 0.761 1 1 1216 . 1 1 1 A 89 89 MET CB C 88 33.183 32.094 1.089 1 1 1219 . 1 1 1 A 89 89 MET N N 88 125.111 118.917 6.194 1 1 1220 . 1 1 1 A 90 90 VAL H H 89 8.217 8.099 0.118 1 1 1221 . 1 1 1 A 90 90 VAL HA H 89 4.063 3.829 0.234 1 1 1229 . 1 1 1 A 90 90 VAL C C 89 176.249 176.207 0.042 1 1 1230 . 1 1 1 A 90 90 VAL CA C 89 63.377 65.124 -1.747 1 1 1231 . 1 1 1 A 90 90 VAL CB C 89 32.473 31.370 1.103 1 1 1234 . 1 1 1 A 90 90 VAL N N 89 120.477 120.805 -0.328 1 1 1235 . 1 1 1 A 91 91 SER H H 90 8.356 7.984 0.372 1 1 1236 . 1 1 1 A 91 91 SER HA H 90 4.614 5.004 -0.390 1 1 1239 . 1 1 1 A 91 91 SER C C 90 175.841 172.467 3.374 1 1 1240 . 1 1 1 A 91 91 SER CA C 90 57.860 57.690 0.170 1 1 1241 . 1 1 1 A 91 91 SER CB C 90 63.398 64.176 -0.778 1 1 1242 . 1 1 1 A 91 91 SER N N 90 116.676 116.568 0.108 1 1 1243 . 1 1 1 A 92 92 VAL H H 91 8.158 8.944 -0.786 1 1 1244 . 1 1 1 A 92 92 VAL HA H 91 4.245 4.734 -0.489 1 1 1252 . 1 1 1 A 92 92 VAL C C 91 175.856 175.681 0.175 1 1 1253 . 1 1 1 A 92 92 VAL CA C 91 63.121 61.188 1.933 1 1 1254 . 1 1 1 A 92 92 VAL CB C 91 31.872 33.031 -1.159 1 1 1257 . 1 1 1 A 92 92 VAL N N 91 119.994 127.837 -7.843 1 1 1258 . 1 1 1 A 93 93 SER H H 92 8.368 8.863 -0.495 1 1 1259 . 1 1 1 A 93 93 SER HA H 92 4.581 4.824 -0.243 1 1 1262 . 1 1 1 A 93 93 SER C C 92 174.154 172.566 1.588 1 1 1263 . 1 1 1 A 93 93 SER CA C 92 57.706 57.961 -0.255 1 1 1264 . 1 1 1 A 93 93 SER CB C 92 63.126 64.258 -1.132 1 1 1265 . 1 1 1 A 93 93 SER N N 92 116.504 125.687 -9.183 1 1 1266 . 1 1 1 A 94 94 THR H H 93 7.427 7.591 -0.164 1 1 1267 . 1 1 1 A 94 94 THR HA H 93 4.464 4.633 -0.169 1 1 1272 . 1 1 1 A 94 94 THR CA C 93 61.032 59.144 1.888 1 1 1273 . 1 1 1 A 94 94 THR CB C 93 70.505 71.554 -1.049 1 1 1275 . 1 1 1 A 94 94 THR N N 93 119.172 116.746 2.426 1 1 1276 . 1 1 1 A 95 95 PRO HA H 94 4.426 4.725 -0.299 1 1 1283 . 1 1 1 A 95 95 PRO C C 94 178.692 178.010 0.682 1 1 1284 . 1 1 1 A 95 95 PRO CA C 94 62.921 62.682 0.239 1 1 1285 . 1 1 1 A 95 95 PRO CB C 94 32.774 32.608 0.166 1 1 1288 . 1 1 1 A 96 96 ILE H H 95 9.324 9.036 0.288 1 1 1289 . 1 1 1 A 96 96 ILE HA H 95 3.956 4.012 -0.056 1 1 1299 . 1 1 1 A 96 96 ILE C C 95 176.415 176.968 -0.553 1 1 1300 . 1 1 1 A 96 96 ILE CA C 95 63.880 63.514 0.366 1 1 1301 . 1 1 1 A 96 96 ILE CB C 95 38.055 38.073 -0.018 1 1 1305 . 1 1 1 A 96 96 ILE N N 95 123.862 125.452 -1.590 1 1 1306 . 1 1 1 A 97 97 SER H H 96 8.211 8.410 -0.199 1 1 1307 . 1 1 1 A 97 97 SER HA H 96 3.978 4.119 -0.141 1 1 1310 . 1 1 1 A 97 97 SER C C 96 176.494 177.318 -0.824 1 1 1311 . 1 1 1 A 97 97 SER CA C 96 61.576 61.403 0.173 1 1 1312 . 1 1 1 A 97 97 SER CB C 96 61.262 62.383 -1.121 1 1 1313 . 1 1 1 A 97 97 SER N N 96 116.529 117.449 -0.920 1 1 1314 . 1 1 1 A 98 98 GLU H H 97 7.329 7.842 -0.513 1 1 1315 . 1 1 1 A 98 98 GLU HA H 97 4.290 4.248 0.042 1 1 1320 . 1 1 1 A 98 98 GLU C C 97 179.288 179.016 0.272 1 1 1321 . 1 1 1 A 98 98 GLU CA C 97 58.705 59.273 -0.568 1 1 1322 . 1 1 1 A 98 98 GLU CB C 97 29.791 30.302 -0.511 1 1 1324 . 1 1 1 A 98 98 GLU N N 97 122.955 122.927 0.028 1 1 1325 . 1 1 1 A 99 99 VAL H H 98 7.386 8.560 -1.174 1 1 1326 . 1 1 1 A 99 99 VAL HA H 98 3.815 3.833 -0.018 1 1 1334 . 1 1 1 A 99 99 VAL C C 98 177.662 178.422 -0.760 1 1 1335 . 1 1 1 A 99 99 VAL CA C 98 65.774 65.904 -0.130 1 1 1336 . 1 1 1 A 99 99 VAL CB C 98 32.047 31.763 0.284 1 1 1339 . 1 1 1 A 99 99 VAL N N 98 120.888 120.892 -0.004 1 1 1340 . 1 1 1 A 100 100 TYR H H 99 8.984 7.863 1.121 1 1 1341 . 1 1 1 A 100 100 TYR HA H 99 4.013 4.207 -0.194 1 1 1348 . 1 1 1 A 100 100 TYR C C 99 176.355 178.284 -1.929 1 1 1349 . 1 1 1 A 100 100 TYR CA C 99 62.118 61.550 0.568 1 1 1350 . 1 1 1 A 100 100 TYR CB C 99 38.921 38.885 0.036 1 1 1353 . 1 1 1 A 100 100 TYR N N 99 118.874 121.173 -2.299 1 1 1354 . 1 1 1 A 101 101 GLU H H 100 7.433 8.538 -1.105 1 1 1355 . 1 1 1 A 101 101 GLU HA H 100 3.833 4.007 -0.174 1 1 1360 . 1 1 1 A 101 101 GLU C C 100 177.674 176.883 0.791 1 1 1361 . 1 1 1 A 101 101 GLU CA C 100 58.895 57.998 0.897 1 1 1362 . 1 1 1 A 101 101 GLU CB C 100 29.577 28.484 1.093 1 1 1364 . 1 1 1 A 101 101 GLU N N 100 114.383 118.184 -3.801 1 1 1365 . 1 1 1 A 102 102 SER H H 101 7.423 8.350 -0.927 1 1 1366 . 1 1 1 A 102 102 SER HA H 101 4.552 4.561 -0.009 1 1 1369 . 1 1 1 A 102 102 SER C C 101 176.554 174.772 1.782 1 1 1370 . 1 1 1 A 102 102 SER CA C 101 60.200 58.906 1.294 1 1 1371 . 1 1 1 A 102 102 SER CB C 101 64.828 63.937 0.891 1 1 1372 . 1 1 1 A 102 102 SER N N 101 108.722 114.942 -6.220 1 1 1373 . 1 1 1 A 103 103 GLU H H 102 8.488 8.083 0.405 1 1 1374 . 1 1 1 A 103 103 GLU HA H 102 4.752 4.524 0.228 1 1 1379 . 1 1 1 A 103 103 GLU C C 102 176.653 176.362 0.291 1 1 1380 . 1 1 1 A 103 103 GLU CA C 102 55.464 57.460 -1.996 1 1 1381 . 1 1 1 A 103 103 GLU CB C 102 30.611 32.016 -1.405 1 1 1383 . 1 1 1 A 103 103 GLU N N 102 116.116 118.395 -2.279 1 1 1384 . 1 1 1 A 104 104 ARG H H 103 7.511 7.733 -0.222 1 1 1385 . 1 1 1 A 104 104 ARG HA H 103 4.241 4.286 -0.045 1 1 1392 . 1 1 1 A 104 104 ARG C C 103 174.634 174.832 -0.198 1 1 1393 . 1 1 1 A 104 104 ARG CA C 103 56.926 56.206 0.720 1 1 1394 . 1 1 1 A 104 104 ARG CB C 103 29.713 30.096 -0.383 1 1 1397 . 1 1 1 A 104 104 ARG N N 103 117.180 118.741 -1.561 1 1 1398 . 1 1 1 A 105 105 ASP H H 104 9.069 8.372 0.697 1 1 1399 . 1 1 1 A 105 105 ASP HA H 104 4.774 4.999 -0.225 1 1 1402 . 1 1 1 A 105 105 ASP C C 104 177.460 176.727 0.733 1 1 1403 . 1 1 1 A 105 105 ASP CA C 104 53.852 52.481 1.371 1 1 1404 . 1 1 1 A 105 105 ASP CB C 104 43.424 43.762 -0.338 1 1 1405 . 1 1 1 A 105 105 ASP N N 104 123.349 123.039 0.310 1 1 1406 . 1 1 1 A 106 106 GLU H H 105 8.982 8.902 0.080 1 1 1407 . 1 1 1 A 106 106 GLU HA H 105 4.199 3.986 0.213 1 1 1412 . 1 1 1 A 106 106 GLU C C 105 177.398 178.074 -0.676 1 1 1413 . 1 1 1 A 106 106 GLU CA C 105 59.413 59.340 0.073 1 1 1414 . 1 1 1 A 106 106 GLU CB C 105 29.983 29.278 0.705 1 1 1416 . 1 1 1 A 106 106 GLU N N 105 125.197 123.332 1.865 1 1 1417 . 1 1 1 A 107 107 ASP H H 106 9.873 8.033 1.840 1 1 1418 . 1 1 1 A 107 107 ASP HA H 106 4.211 4.105 0.106 1 1 1421 . 1 1 1 A 107 107 ASP C C 106 175.775 176.822 -1.047 1 1 1422 . 1 1 1 A 107 107 ASP CA C 106 54.698 55.064 -0.366 1 1 1423 . 1 1 1 A 107 107 ASP CB C 106 40.187 41.581 -1.394 1 1 1424 . 1 1 1 A 107 107 ASP N N 106 118.717 116.839 1.878 1 1 1425 . 1 1 1 A 108 108 GLY H H 107 7.971 8.697 -0.726 1 1 1426 . 1 1 1 A 108 108 GLY HA2 H 107 3.431 3.932 -0.501 1 1 1427 . 1 1 1 A 108 108 GLY HA3 H 107 4.526 3.948 0.578 1 1 1428 . 1 1 1 A 108 108 GLY C C 107 175.138 173.914 1.224 1 1 1429 . 1 1 1 A 108 108 GLY CA C 107 45.029 45.789 -0.760 1 1 1430 . 1 1 1 A 108 108 GLY N N 107 105.017 109.382 -4.365 1 1 1431 . 1 1 1 A 109 109 PHE H H 108 9.799 7.357 2.442 1 1 1432 . 1 1 1 A 109 109 PHE HA H 108 4.607 4.869 -0.262 1 1 1440 . 1 1 1 A 109 109 PHE C C 108 175.171 174.381 0.790 1 1 1441 . 1 1 1 A 109 109 PHE CA C 108 60.222 56.460 3.762 1 1 1442 . 1 1 1 A 109 109 PHE CB C 108 40.433 42.682 -2.249 1 1 1446 . 1 1 1 A 109 109 PHE N N 108 123.309 118.783 4.526 1 1 1447 . 1 1 1 A 110 110 LEU H H 109 8.061 8.786 -0.725 1 1 1448 . 1 1 1 A 110 110 LEU HA H 109 5.022 4.291 0.731 1 1 1458 . 1 1 1 A 110 110 LEU C C 109 174.033 175.442 -1.409 1 1 1459 . 1 1 1 A 110 110 LEU CA C 109 53.539 54.669 -1.130 1 1 1460 . 1 1 1 A 110 110 LEU CB C 109 45.284 42.678 2.606 1 1 1464 . 1 1 1 A 110 110 LEU N N 109 119.999 126.363 -6.364 1 1 1465 . 1 1 1 A 111 111 TYR H H 110 9.363 9.087 0.276 1 1 1466 . 1 1 1 A 111 111 TYR HA H 110 4.906 5.209 -0.303 1 1 1473 . 1 1 1 A 111 111 TYR C C 110 176.538 174.591 1.947 1 1 1474 . 1 1 1 A 111 111 TYR CA C 110 59.335 56.622 2.713 1 1 1475 . 1 1 1 A 111 111 TYR CB C 110 39.485 40.467 -0.982 1 1 1478 . 1 1 1 A 111 111 TYR N N 110 126.322 120.749 5.573 1 1 1479 . 1 1 1 A 112 112 MET H H 111 9.496 9.055 0.441 1 1 1480 . 1 1 1 A 112 112 MET HA H 111 5.522 5.476 0.046 1 1 1488 . 1 1 1 A 112 112 MET C C 111 175.676 174.365 1.311 1 1 1489 . 1 1 1 A 112 112 MET CA C 111 54.216 54.257 -0.041 1 1 1490 . 1 1 1 A 112 112 MET CB C 111 36.821 36.781 0.040 1 1 1493 . 1 1 1 A 112 112 MET N N 111 119.003 123.812 -4.809 1 1 1494 . 1 1 1 A 113 113 VAL H H 112 8.749 8.879 -0.130 1 1 1495 . 1 1 1 A 113 113 VAL HA H 112 5.967 5.050 0.917 1 1 1503 . 1 1 1 A 113 113 VAL C C 112 174.893 175.203 -0.310 1 1 1504 . 1 1 1 A 113 113 VAL CA C 112 58.896 61.104 -2.208 1 1 1505 . 1 1 1 A 113 113 VAL CB C 112 36.149 33.322 2.827 1 1 1508 . 1 1 1 A 113 113 VAL N N 112 119.658 122.464 -2.806 1 1 1509 . 1 1 1 A 114 114 TYR H H 113 8.210 8.733 -0.523 1 1 1510 . 1 1 1 A 114 114 TYR HA H 113 6.141 5.917 0.224 1 1 1517 . 1 1 1 A 114 114 TYR C C 113 173.353 174.179 -0.826 1 1 1518 . 1 1 1 A 114 114 TYR CA C 113 54.161 55.186 -1.025 1 1 1519 . 1 1 1 A 114 114 TYR CB C 113 43.538 42.305 1.233 1 1 1522 . 1 1 1 A 114 114 TYR N N 113 118.947 124.787 -5.840 1 1 1523 . 1 1 1 A 115 115 ALA H H 114 8.483 8.719 -0.236 1 1 1524 . 1 1 1 A 115 115 ALA HA H 114 4.762 4.811 -0.049 1 1 1528 . 1 1 1 A 115 115 ALA C C 114 176.033 176.879 -0.846 1 1 1529 . 1 1 1 A 115 115 ALA CA C 114 51.223 51.347 -0.124 1 1 1530 . 1 1 1 A 115 115 ALA CB C 114 24.521 22.855 1.666 1 1 1531 . 1 1 1 A 115 115 ALA N N 114 119.557 121.677 -2.120 1 1 1532 . 1 1 1 A 116 116 SER H H 115 9.835 8.338 1.497 1 1 1533 . 1 1 1 A 116 116 SER HA H 115 4.497 5.022 -0.525 1 1 1536 . 1 1 1 A 116 116 SER C C 115 172.664 173.734 -1.070 1 1 1537 . 1 1 1 A 116 116 SER CA C 115 58.669 58.027 0.642 1 1 1538 . 1 1 1 A 116 116 SER CB C 115 63.570 63.476 0.094 1 1 1539 . 1 1 1 A 116 116 SER N N 115 114.435 114.353 0.082 1 1 1540 . 1 1 1 A 117 117 GLN H H 116 7.180 7.629 -0.449 1 1 1541 . 1 1 1 A 117 117 GLN HA H 116 4.460 4.882 -0.422 1 1 1548 . 1 1 1 A 117 117 GLN C C 116 172.901 175.534 -2.633 1 1 1549 . 1 1 1 A 117 117 GLN CA C 116 53.974 54.887 -0.913 1 1 1550 . 1 1 1 A 117 117 GLN CB C 116 32.192 31.686 0.506 1 1 1553 . 1 1 1 A 117 117 GLN N N 116 116.449 120.686 -4.237 1 1 1555 . 1 1 1 A 118 118 GLU H H 117 7.878 8.875 -0.997 1 1 1556 . 1 1 1 A 118 118 GLU HA H 117 3.259 4.495 -1.236 1 1 1561 . 1 1 1 A 118 118 GLU C C 117 175.233 176.918 -1.685 1 1 1562 . 1 1 1 A 118 118 GLU CA C 117 56.890 56.707 0.183 1 1 1563 . 1 1 1 A 118 118 GLU CB C 117 30.325 30.236 0.089 1 1 1565 . 1 1 1 A 118 118 GLU N N 117 117.687 125.953 -8.266 1 1 1566 . 1 1 1 A 119 119 THR H H 118 6.968 7.658 -0.690 1 1 1567 . 1 1 1 A 119 119 THR HA H 118 4.082 4.547 -0.465 1 1 1572 . 1 1 1 A 119 119 THR C C 118 173.134 174.791 -1.657 1 1 1573 . 1 1 1 A 119 119 THR CA C 118 60.123 59.840 0.283 1 1 1574 . 1 1 1 A 119 119 THR CB C 118 70.147 68.453 1.694 1 1 1576 . 1 1 1 A 119 119 THR N N 118 109.548 107.930 1.618 1 1 1577 . 1 1 1 A 120 120 PHE H H 119 8.138 7.838 0.300 1 1 1578 . 1 1 1 A 120 120 PHE HA H 119 4.436 4.337 0.099 1 1 1586 . 1 1 1 A 120 120 PHE C C 119 174.902 177.282 -2.380 1 1 1587 . 1 1 1 A 120 120 PHE CA C 119 56.750 58.549 -1.799 1 1 1588 . 1 1 1 A 120 120 PHE CB C 119 39.411 38.461 0.950 1 1 1592 . 1 1 1 A 120 120 PHE N N 119 121.777 121.059 0.718 1 1 1607 . 1 2 2 B 2 2 SER H H 332 8.471 8.899 -0.428 1 1 1608 . 1 2 2 B 2 2 SER HA H 332 4.484 4.826 -0.342 1 1 1611 . 1 2 2 B 2 2 SER C C 332 174.962 175.465 -0.503 1 1 1612 . 1 2 2 B 2 2 SER CA C 332 88.436 57.107 31.329 1 1 1613 . 1 2 2 B 2 2 SER CB C 332 93.927 64.050 29.877 1 1 1614 . 1 2 2 B 2 2 SER N N 332 147.261 118.857 28.404 1 1 1615 . 1 2 2 B 3 3 GLY H H 333 8.601 8.225 0.376 1 1 1616 . 1 2 2 B 3 3 GLY HA2 H 333 4.022 3.895 0.127 1 1 1617 . 1 2 2 B 3 3 GLY HA3 H 333 4.022 3.899 0.123 1 1 1618 . 1 2 2 B 3 3 GLY C C 333 174.774 174.173 0.601 1 1 1619 . 1 2 2 B 3 3 GLY CA C 333 75.465 45.472 29.993 1 1 1620 . 1 2 2 B 3 3 GLY N N 333 141.077 111.550 29.527 1 1 1621 . 1 2 2 B 4 4 GLY H H 334 8.372 7.524 0.848 1 1 1622 . 1 2 2 B 4 4 GLY HA2 H 334 3.980 4.059 -0.079 1 1 1623 . 1 2 2 B 4 4 GLY HA3 H 334 3.980 4.066 -0.086 1 1 1624 . 1 2 2 B 4 4 GLY C C 334 174.758 171.730 3.028 1 1 1625 . 1 2 2 B 4 4 GLY CA C 334 75.674 45.684 29.990 1 1 1626 . 1 2 2 B 4 4 GLY N N 334 138.894 108.213 30.681 1 1 1627 . 1 2 2 B 5 5 ASP H H 335 8.429 8.754 -0.325 1 1 1628 . 1 2 2 B 5 5 ASP HA H 335 4.610 4.902 -0.292 1 1 1631 . 1 2 2 B 5 5 ASP CA C 335 85.066 53.309 31.757 1 1 1632 . 1 2 2 B 5 5 ASP CB C 335 71.191 39.092 32.099 1 1 1633 . 1 2 2 B 5 5 ASP N N 335 149.637 120.469 29.168 1 1 1634 . 1 2 2 B 6 6 ASP H H 336 8.244 8.266 -0.022 1 1 1635 . 1 2 2 B 6 6 ASP HA H 336 4.559 4.522 0.037 1 1 1638 . 1 2 2 B 6 6 ASP C C 336 175.432 175.577 -0.145 1 1 1639 . 1 2 2 B 6 6 ASP CA C 336 84.708 56.387 28.321 1 1 1640 . 1 2 2 B 6 6 ASP CB C 336 71.552 41.769 29.783 1 1 1641 . 1 2 2 B 6 6 ASP N N 336 148.885 123.148 25.737 1 1 1642 . 1 2 2 B 7 7 ASP H H 337 7.803 7.956 -0.153 1 1 1643 . 1 2 2 B 7 7 ASP HA H 337 4.655 5.025 -0.370 1 1 1646 . 1 2 2 B 7 7 ASP C C 337 175.362 175.189 0.173 1 1 1647 . 1 2 2 B 7 7 ASP CA C 337 83.670 53.237 30.433 1 1 1648 . 1 2 2 B 7 7 ASP CB C 337 71.933 44.419 27.514 1 1 1649 . 1 2 2 B 7 7 ASP N N 337 149.563 115.995 33.568 1 1 1650 . 1 2 2 B 8 8 TRP H H 338 8.472 8.495 -0.023 1 1 1651 . 1 2 2 B 8 8 TRP HA H 338 4.174 4.829 -0.655 1 1 1660 . 1 2 2 B 8 8 TRP C C 338 175.959 176.083 -0.124 1 1 1661 . 1 2 2 B 8 8 TRP CA C 338 87.020 57.486 29.534 1 1 1662 . 1 2 2 B 8 8 TRP CB C 338 61.223 30.154 31.069 1 1 1668 . 1 2 2 B 8 8 TRP N N 338 150.172 124.044 26.128 1 1 1670 . 1 2 2 B 9 9 THR H H 339 7.994 8.881 -0.887 1 1 1671 . 1 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1 1 1676 . 1 2 2 B 9 9 THR C C 339 174.035 173.890 0.145 1 1 1677 . 1 2 2 B 9 9 THR CA C 339 92.659 61.310 31.349 1 1 1678 . 1 2 2 B 9 9 THR CB C 339 99.436 70.688 28.748 1 1 1680 . 1 2 2 B 9 9 THR N N 339 149.503 114.953 34.550 1 1 1681 . 1 2 2 B 10 10 HIS H H 340 9.463 8.128 1.335 1 1 1682 . 1 2 2 B 10 10 HIS HA H 340 4.677 5.231 -0.554 1 1 1687 . 1 2 2 B 10 10 HIS C C 340 175.606 174.061 1.545 1 1 1688 . 1 2 2 B 10 10 HIS CA C 340 87.024 54.536 32.488 1 1 1689 . 1 2 2 B 10 10 HIS CB C 340 61.368 31.305 30.063 1 1 1692 . 1 2 2 B 10 10 HIS N N 340 159.135 122.829 36.306 1 1 1693 . 1 2 2 B 11 11 LEU H H 341 8.398 9.286 -0.888 1 1 1694 . 1 2 2 B 11 11 LEU HA H 341 4.848 4.766 0.082 1 1 1704 . 1 2 2 B 11 11 LEU C C 341 175.919 175.713 0.206 1 1 1705 . 1 2 2 B 11 11 LEU CA C 341 83.684 54.137 29.547 1 1 1706 . 1 2 2 B 11 11 LEU CB C 341 73.601 41.048 32.553 1 1 1710 . 1 2 2 B 11 11 LEU N N 341 153.300 125.509 27.791 1 1 1711 . 1 2 2 B 12 12 SER H H 342 8.382 8.921 -0.539 1 1 1712 . 1 2 2 B 12 12 SER HA H 342 4.652 4.818 -0.166 1 1 1715 . 1 2 2 B 12 12 SER C C 342 174.263 174.583 -0.320 1 1 1716 . 1 2 2 B 12 12 SER CA C 342 86.841 58.240 28.601 1 1 1717 . 1 2 2 B 12 12 SER CB C 342 95.113 64.018 31.095 1 1 1718 . 1 2 2 B 12 12 SER N N 342 144.018 121.958 22.060 1 1 1719 . 1 2 2 B 13 13 SER H H 343 8.937 9.000 -0.063 1 1 1720 . 1 2 2 B 13 13 SER HA H 343 4.291 4.468 -0.177 1 1 1723 . 1 2 2 B 13 13 SER C C 343 174.652 174.961 -0.309 1 1 1724 . 1 2 2 B 13 13 SER CA C 343 89.546 59.931 29.615 1 1 1725 . 1 2 2 B 13 13 SER CB C 343 93.470 63.399 30.071 1 1 1726 . 1 2 2 B 13 13 SER N N 343 148.575 120.539 28.036 1 1 1727 . 1 2 2 B 14 14 LYS H H 344 8.250 8.268 -0.018 1 1 1728 . 1 2 2 B 14 14 LYS HA H 344 4.319 4.300 0.019 1 1 1737 . 1 2 2 B 14 14 LYS C C 344 176.699 177.499 -0.800 1 1 1738 . 1 2 2 B 14 14 LYS CA C 344 86.716 58.030 28.686 1 1 1739 . 1 2 2 B 14 14 LYS CB C 344 62.831 33.435 29.396 1 1 1743 . 1 2 2 B 14 14 LYS N N 344 151.908 119.549 32.359 1 1 1744 . 1 2 2 B 15 15 GLU H H 345 8.256 7.704 0.552 1 1 1745 . 1 2 2 B 15 15 GLU HA H 345 4.240 4.423 -0.183 1 1 1750 . 1 2 2 B 15 15 GLU C C 345 176.152 176.103 0.049 1 1 1751 . 1 2 2 B 15 15 GLU CA C 345 87.152 56.323 30.829 1 1 1752 . 1 2 2 B 15 15 GLU CB C 345 60.176 30.248 29.928 1 1 1754 . 1 2 2 B 15 15 GLU N N 345 150.679 117.816 32.863 1 1 1755 . 1 2 2 B 16 16 VAL H H 346 7.762 7.348 0.414 1 1 1756 . 1 2 2 B 16 16 VAL HA H 346 4.161 4.098 0.063 1 1 1764 . 1 2 2 B 16 16 VAL C C 346 174.646 175.961 -1.315 1 1 1765 . 1 2 2 B 16 16 VAL CA C 346 91.707 61.069 30.638 1 1 1766 . 1 2 2 B 16 16 VAL CB C 346 63.107 33.494 29.613 1 1 1769 . 1 2 2 B 16 16 VAL N N 346 146.718 117.229 29.489 1 1 9 . 2 1 1 A 2 2 MET H H 1 8.414 7.931 0.483 1 1 10 . 2 1 1 A 2 2 MET HA H 1 4.826 4.876 -0.050 1 1 18 . 2 1 1 A 2 2 MET CA C 1 53.382 52.600 0.782 1 1 19 . 2 1 1 A 2 2 MET CB C 1 32.478 35.848 -3.370 1 1 22 . 2 1 1 A 2 2 MET N N 1 122.882 123.231 -0.349 1 1 23 . 2 1 1 A 3 3 PRO HA H 2 4.425 4.471 -0.046 1 1 30 . 2 1 1 A 3 3 PRO C C 2 176.847 176.446 0.401 1 1 31 . 2 1 1 A 3 3 PRO CA C 2 63.386 64.560 -1.174 1 1 32 . 2 1 1 A 3 3 PRO CB C 2 32.077 32.297 -0.220 1 1 35 . 2 1 1 A 4 4 SER H H 3 8.347 7.820 0.527 1 1 36 . 2 1 1 A 4 4 SER HA H 3 4.391 5.161 -0.770 1 1 39 . 2 1 1 A 4 4 SER C C 3 174.643 172.189 2.454 1 1 40 . 2 1 1 A 4 4 SER CA C 3 58.336 57.823 0.513 1 1 41 . 2 1 1 A 4 4 SER CB C 3 63.798 65.507 -1.709 1 1 42 . 2 1 1 A 4 4 SER N N 3 115.234 114.334 0.900 1 1 43 . 2 1 1 A 5 5 GLU H H 4 8.472 8.781 -0.309 1 1 44 . 2 1 1 A 5 5 GLU HA H 4 4.297 4.997 -0.700 1 1 49 . 2 1 1 A 5 5 GLU C C 4 176.352 176.305 0.047 1 1 50 . 2 1 1 A 5 5 GLU CA C 4 56.572 55.036 1.536 1 1 51 . 2 1 1 A 5 5 GLU CB C 4 30.285 32.407 -2.122 1 1 53 . 2 1 1 A 5 5 GLU N N 4 123.045 125.856 -2.811 1 1 54 . 2 1 1 A 6 6 LYS H H 5 8.214 8.435 -0.221 1 1 55 . 2 1 1 A 6 6 LYS HA H 5 4.500 4.305 0.195 1 1 64 . 2 1 1 A 6 6 LYS C C 5 177.243 176.058 1.185 1 1 65 . 2 1 1 A 6 6 LYS CA C 5 55.943 56.696 -0.753 1 1 66 . 2 1 1 A 6 6 LYS CB C 5 34.621 33.535 1.086 1 1 70 . 2 1 1 A 6 6 LYS N N 5 121.467 126.288 -4.821 1 1 71 . 2 1 1 A 7 7 THR H H 6 8.431 8.333 0.098 1 1 72 . 2 1 1 A 7 7 THR HA H 6 4.383 5.012 -0.629 1 1 77 . 2 1 1 A 7 7 THR C C 6 175.360 176.173 -0.813 1 1 78 . 2 1 1 A 7 7 THR CA C 6 61.124 59.276 1.848 1 1 79 . 2 1 1 A 7 7 THR CB C 6 69.863 71.784 -1.921 1 1 81 . 2 1 1 A 7 7 THR N N 6 114.691 111.470 3.221 1 1 82 . 2 1 1 A 8 8 PHE H H 7 10.194 9.597 0.597 1 1 83 . 2 1 1 A 8 8 PHE HA H 7 3.904 4.238 -0.334 1 1 88 . 2 1 1 A 8 8 PHE C C 7 177.000 177.755 -0.755 1 1 89 . 2 1 1 A 8 8 PHE CA C 7 63.388 60.549 2.839 1 1 90 . 2 1 1 A 8 8 PHE CB C 7 39.586 38.782 0.804 1 1 92 . 2 1 1 A 8 8 PHE N N 7 124.861 123.270 1.591 1 1 93 . 2 1 1 A 9 9 LYS H H 8 8.707 8.376 0.331 1 1 94 . 2 1 1 A 9 9 LYS HA H 8 3.761 4.167 -0.406 1 1 103 . 2 1 1 A 9 9 LYS C C 8 177.496 178.840 -1.344 1 1 104 . 2 1 1 A 9 9 LYS CA C 8 59.945 59.286 0.659 1 1 105 . 2 1 1 A 9 9 LYS CB C 8 33.870 31.913 1.957 1 1 109 . 2 1 1 A 9 9 LYS N N 8 114.189 117.553 -3.364 1 1 110 . 2 1 1 A 10 10 GLN H H 9 7.284 8.204 -0.920 1 1 111 . 2 1 1 A 10 10 GLN HA H 9 4.113 4.184 -0.071 1 1 118 . 2 1 1 A 10 10 GLN C C 9 177.416 178.147 -0.731 1 1 119 . 2 1 1 A 10 10 GLN CA C 9 56.743 58.000 -1.257 1 1 120 . 2 1 1 A 10 10 GLN CB C 9 30.002 28.909 1.093 1 1 123 . 2 1 1 A 10 10 GLN N N 9 112.843 119.130 -6.287 1 1 125 . 2 1 1 A 11 11 ARG H H 10 7.889 8.246 -0.357 1 1 126 . 2 1 1 A 11 11 ARG HA H 10 4.255 3.964 0.291 1 1 133 . 2 1 1 A 11 11 ARG C C 10 175.059 176.511 -1.452 1 1 134 . 2 1 1 A 11 11 ARG CA C 10 57.018 59.502 -2.484 1 1 135 . 2 1 1 A 11 11 ARG CB C 10 31.628 30.339 1.289 1 1 138 . 2 1 1 A 11 11 ARG N N 10 117.567 120.890 -3.323 1 1 139 . 2 1 1 A 12 12 ARG H H 11 7.443 7.820 -0.377 1 1 140 . 2 1 1 A 12 12 ARG HA H 11 4.493 4.334 0.159 1 1 147 . 2 1 1 A 12 12 ARG CA C 11 54.172 56.620 -2.448 1 1 148 . 2 1 1 A 12 12 ARG CB C 11 32.857 30.550 2.307 1 1 151 . 2 1 1 A 12 12 ARG N N 11 122.786 119.941 2.845 1 1 152 . 2 1 1 A 13 13 SER HA H 12 4.403 4.517 -0.114 1 1 155 . 2 1 1 A 13 13 SER C C 12 174.222 175.324 -1.102 1 1 156 . 2 1 1 A 13 13 SER CA C 12 58.274 60.039 -1.765 1 1 157 . 2 1 1 A 13 13 SER CB C 12 64.821 63.577 1.244 1 1 158 . 2 1 1 A 14 14 PHE H H 13 9.239 9.285 -0.046 1 1 159 . 2 1 1 A 14 14 PHE HA H 13 4.035 4.108 -0.073 1 1 165 . 2 1 1 A 14 14 PHE C C 13 176.023 177.414 -1.391 1 1 166 . 2 1 1 A 14 14 PHE CA C 13 62.790 62.774 0.016 1 1 167 . 2 1 1 A 14 14 PHE CB C 13 39.580 39.896 -0.316 1 1 169 . 2 1 1 A 14 14 PHE N N 13 123.729 126.285 -2.556 1 1 170 . 2 1 1 A 15 15 GLU H H 14 9.093 8.511 0.582 1 1 171 . 2 1 1 A 15 15 GLU HA H 14 3.813 4.093 -0.280 1 1 176 . 2 1 1 A 15 15 GLU C C 14 179.549 179.157 0.392 1 1 177 . 2 1 1 A 15 15 GLU CA C 14 60.444 59.320 1.124 1 1 178 . 2 1 1 A 15 15 GLU CB C 14 28.804 29.615 -0.811 1 1 180 . 2 1 1 A 15 15 GLU N N 14 115.336 119.099 -3.763 1 1 181 . 2 1 1 A 16 16 GLN H H 15 7.752 8.434 -0.682 1 1 182 . 2 1 1 A 16 16 GLN HA H 15 4.044 4.002 0.042 1 1 189 . 2 1 1 A 16 16 GLN C C 15 177.931 178.313 -0.382 1 1 190 . 2 1 1 A 16 16 GLN CA C 15 58.486 58.942 -0.456 1 1 191 . 2 1 1 A 16 16 GLN CB C 15 29.393 28.779 0.614 1 1 194 . 2 1 1 A 16 16 GLN N N 15 119.145 119.004 0.141 1 1 196 . 2 1 1 A 17 17 ARG H H 16 8.577 7.957 0.620 1 1 197 . 2 1 1 A 17 17 ARG HA H 16 4.280 4.214 0.066 1 1 202 . 2 1 1 A 17 17 ARG C C 16 177.128 178.829 -1.701 1 1 203 . 2 1 1 A 17 17 ARG CA C 16 61.442 59.416 2.026 1 1 204 . 2 1 1 A 17 17 ARG N N 16 121.288 119.220 2.068 1 1 205 . 2 1 1 A 18 18 VAL H H 17 8.329 8.414 -0.085 1 1 206 . 2 1 1 A 18 18 VAL HA H 17 3.938 3.726 0.212 1 1 214 . 2 1 1 A 18 18 VAL C C 17 179.744 177.982 1.762 1 1 215 . 2 1 1 A 18 18 VAL CA C 17 65.441 65.451 -0.010 1 1 216 . 2 1 1 A 18 18 VAL CB C 17 32.080 31.446 0.634 1 1 219 . 2 1 1 A 18 18 VAL N N 17 116.752 117.550 -0.798 1 1 220 . 2 1 1 A 19 19 GLU H H 18 7.445 7.600 -0.155 1 1 221 . 2 1 1 A 19 19 GLU HA H 18 4.270 3.954 0.316 1 1 226 . 2 1 1 A 19 19 GLU C C 18 177.625 178.764 -1.139 1 1 227 . 2 1 1 A 19 19 GLU CA C 18 58.637 59.249 -0.612 1 1 228 . 2 1 1 A 19 19 GLU CB C 18 29.398 29.010 0.388 1 1 230 . 2 1 1 A 19 19 GLU N N 18 120.323 121.766 -1.443 1 1 231 . 2 1 1 A 20 20 ASP H H 19 8.690 8.387 0.303 1 1 232 . 2 1 1 A 20 20 ASP HA H 19 4.514 4.366 0.148 1 1 235 . 2 1 1 A 20 20 ASP C C 19 179.877 178.672 1.205 1 1 236 . 2 1 1 A 20 20 ASP CA C 19 57.224 57.716 -0.492 1 1 237 . 2 1 1 A 20 20 ASP CB C 19 41.487 41.853 -0.366 1 1 238 . 2 1 1 A 20 20 ASP N N 19 120.313 120.540 -0.227 1 1 239 . 2 1 1 A 21 21 VAL H H 20 7.731 7.634 0.097 1 1 240 . 2 1 1 A 21 21 VAL HA H 20 3.394 3.187 0.207 1 1 248 . 2 1 1 A 21 21 VAL C C 20 176.989 177.622 -0.633 1 1 249 . 2 1 1 A 21 21 VAL CA C 20 65.989 66.236 -0.247 1 1 250 . 2 1 1 A 21 21 VAL CB C 20 31.291 31.290 0.001 1 1 253 . 2 1 1 A 21 21 VAL N N 20 119.119 119.560 -0.441 1 1 254 . 2 1 1 A 22 22 ARG H H 21 8.313 7.954 0.359 1 1 255 . 2 1 1 A 22 22 ARG HA H 21 3.825 3.957 -0.132 1 1 263 . 2 1 1 A 22 22 ARG C C 21 180.178 178.636 1.542 1 1 264 . 2 1 1 A 22 22 ARG CA C 21 59.821 59.348 0.473 1 1 265 . 2 1 1 A 22 22 ARG CB C 21 30.164 29.965 0.199 1 1 269 . 2 1 1 A 22 22 ARG N N 21 120.772 119.992 0.780 1 1 271 . 2 1 1 A 23 23 LEU H H 22 8.306 7.448 0.858 1 1 272 . 2 1 1 A 23 23 LEU HA H 22 4.076 3.905 0.171 1 1 282 . 2 1 1 A 23 23 LEU C C 22 180.221 179.139 1.082 1 1 283 . 2 1 1 A 23 23 LEU CA C 22 57.541 58.038 -0.497 1 1 284 . 2 1 1 A 23 23 LEU CB C 22 42.300 41.477 0.823 1 1 288 . 2 1 1 A 23 23 LEU N N 22 116.413 119.441 -3.028 1 1 289 . 2 1 1 A 24 24 ILE H H 23 7.864 7.737 0.127 1 1 290 . 2 1 1 A 24 24 ILE HA H 23 4.090 3.890 0.200 1 1 300 . 2 1 1 A 24 24 ILE C C 23 177.922 178.369 -0.447 1 1 301 . 2 1 1 A 24 24 ILE CA C 23 60.190 64.631 -4.441 1 1 302 . 2 1 1 A 24 24 ILE CB C 23 38.072 37.646 0.426 1 1 306 . 2 1 1 A 24 24 ILE N N 23 121.259 118.595 2.664 1 1 307 . 2 1 1 A 25 25 ARG H H 24 8.339 8.241 0.098 1 1 308 . 2 1 1 A 25 25 ARG HA H 24 3.973 4.019 -0.046 1 1 316 . 2 1 1 A 25 25 ARG C C 24 178.479 178.361 0.118 1 1 317 . 2 1 1 A 25 25 ARG CA C 24 57.337 59.440 -2.103 1 1 318 . 2 1 1 A 25 25 ARG CB C 24 28.663 30.495 -1.832 1 1 322 . 2 1 1 A 25 25 ARG N N 24 121.816 121.824 -0.008 1 1 324 . 2 1 1 A 26 26 GLU H H 25 7.133 8.421 -1.288 1 1 325 . 2 1 1 A 26 26 GLU HA H 25 4.052 4.133 -0.081 1 1 330 . 2 1 1 A 26 26 GLU C C 25 178.158 176.618 1.540 1 1 331 . 2 1 1 A 26 26 GLU CA C 25 58.367 57.527 0.840 1 1 332 . 2 1 1 A 26 26 GLU CB C 25 29.903 29.370 0.533 1 1 334 . 2 1 1 A 26 26 GLU N N 25 116.794 118.286 -1.492 1 1 335 . 2 1 1 A 27 27 GLN H H 26 7.283 8.130 -0.847 1 1 336 . 2 1 1 A 27 27 GLN HA H 26 3.888 4.353 -0.465 1 1 343 . 2 1 1 A 27 27 GLN C C 26 176.088 175.830 0.258 1 1 344 . 2 1 1 A 27 27 GLN CA C 26 57.676 57.088 0.588 1 1 345 . 2 1 1 A 27 27 GLN CB C 26 30.382 30.832 -0.450 1 1 348 . 2 1 1 A 27 27 GLN N N 26 116.373 117.771 -1.398 1 1 350 . 2 1 1 A 28 28 HIS H H 27 8.223 8.569 -0.346 1 1 351 . 2 1 1 A 28 28 HIS HA H 27 4.941 5.063 -0.122 1 1 356 . 2 1 1 A 28 28 HIS CA C 27 53.278 53.150 0.128 1 1 357 . 2 1 1 A 28 28 HIS CB C 27 30.933 29.834 1.099 1 1 360 . 2 1 1 A 28 28 HIS N N 27 115.408 116.304 -0.896 1 1 361 . 2 1 1 A 29 29 PRO HA H 28 4.562 4.360 0.202 1 1 368 . 2 1 1 A 29 29 PRO C C 28 178.046 177.551 0.495 1 1 369 . 2 1 1 A 29 29 PRO CA C 28 64.821 64.583 0.238 1 1 370 . 2 1 1 A 29 29 PRO CB C 28 32.447 31.990 0.457 1 1 373 . 2 1 1 A 30 30 THR H H 29 7.820 7.789 0.031 1 1 374 . 2 1 1 A 30 30 THR HA H 29 4.583 4.347 0.236 1 1 379 . 2 1 1 A 30 30 THR C C 29 172.723 173.343 -0.620 1 1 380 . 2 1 1 A 30 30 THR CA C 29 60.826 61.481 -0.655 1 1 381 . 2 1 1 A 30 30 THR CB C 29 68.641 68.972 -0.331 1 1 383 . 2 1 1 A 30 30 THR N N 29 106.682 107.804 -1.122 1 1 384 . 2 1 1 A 31 31 LYS H H 30 7.453 7.497 -0.044 1 1 385 . 2 1 1 A 31 31 LYS HA H 30 4.850 5.049 -0.199 1 1 394 . 2 1 1 A 31 31 LYS C C 30 174.296 174.728 -0.432 1 1 395 . 2 1 1 A 31 31 LYS CA C 30 53.944 54.736 -0.792 1 1 396 . 2 1 1 A 31 31 LYS CB C 30 36.098 36.852 -0.754 1 1 400 . 2 1 1 A 31 31 LYS N N 30 117.809 120.496 -2.687 1 1 401 . 2 1 1 A 32 32 ILE H H 31 9.265 9.266 -0.001 1 1 402 . 2 1 1 A 32 32 ILE HA H 31 4.106 4.221 -0.115 1 1 412 . 2 1 1 A 32 32 ILE CA C 31 54.606 57.498 -2.892 1 1 413 . 2 1 1 A 32 32 ILE CB C 31 38.448 38.459 -0.011 1 1 417 . 2 1 1 A 32 32 ILE N N 31 122.497 122.824 -0.327 1 1 418 . 2 1 1 A 33 33 PRO HA H 32 5.252 4.913 0.339 1 1 425 . 2 1 1 A 33 33 PRO C C 32 174.652 176.783 -2.131 1 1 426 . 2 1 1 A 33 33 PRO CA C 32 61.704 62.549 -0.845 1 1 427 . 2 1 1 A 33 33 PRO CB C 32 31.873 31.981 -0.108 1 1 430 . 2 1 1 A 34 34 VAL H H 33 9.359 8.641 0.718 1 1 431 . 2 1 1 A 34 34 VAL HA H 33 5.298 5.060 0.238 1 1 439 . 2 1 1 A 34 34 VAL C C 33 173.633 174.803 -1.170 1 1 440 . 2 1 1 A 34 34 VAL CA C 33 59.830 59.571 0.259 1 1 441 . 2 1 1 A 34 34 VAL CB C 33 36.154 36.206 -0.052 1 1 444 . 2 1 1 A 34 34 VAL N N 33 124.496 116.684 7.812 1 1 445 . 2 1 1 A 35 35 ILE H H 34 8.667 9.249 -0.582 1 1 446 . 2 1 1 A 35 35 ILE HA H 34 4.867 4.971 -0.104 1 1 456 . 2 1 1 A 35 35 ILE C C 34 175.770 174.894 0.876 1 1 457 . 2 1 1 A 35 35 ILE CA C 34 56.320 60.307 -3.987 1 1 458 . 2 1 1 A 35 35 ILE CB C 34 36.909 39.347 -2.438 1 1 462 . 2 1 1 A 35 35 ILE N N 34 127.447 122.093 5.354 1 1 463 . 2 1 1 A 36 36 ILE H H 35 8.422 8.893 -0.471 1 1 464 . 2 1 1 A 36 36 ILE HA H 35 4.890 5.182 -0.292 1 1 474 . 2 1 1 A 36 36 ILE C C 35 175.098 176.060 -0.962 1 1 475 . 2 1 1 A 36 36 ILE CA C 35 60.806 60.593 0.213 1 1 476 . 2 1 1 A 36 36 ILE CB C 35 39.357 38.456 0.901 1 1 480 . 2 1 1 A 36 36 ILE N N 35 124.267 128.727 -4.460 1 1 481 . 2 1 1 A 37 37 GLU H H 36 8.335 8.701 -0.366 1 1 482 . 2 1 1 A 37 37 GLU HA H 36 4.820 5.015 -0.195 1 1 487 . 2 1 1 A 37 37 GLU C C 36 173.502 175.766 -2.264 1 1 488 . 2 1 1 A 37 37 GLU CA C 36 54.214 54.252 -0.038 1 1 489 . 2 1 1 A 37 37 GLU CB C 36 35.547 33.713 1.834 1 1 491 . 2 1 1 A 37 37 GLU N N 36 123.296 126.231 -2.935 1 1 492 . 2 1 1 A 38 38 ARG H H 37 8.891 8.186 0.705 1 1 493 . 2 1 1 A 38 38 ARG HA H 37 2.755 3.307 -0.552 1 1 501 . 2 1 1 A 38 38 ARG C C 37 176.165 175.425 0.740 1 1 502 . 2 1 1 A 38 38 ARG CA C 37 56.235 55.919 0.316 1 1 503 . 2 1 1 A 38 38 ARG CB C 37 31.328 30.389 0.939 1 1 507 . 2 1 1 A 38 38 ARG N N 37 123.143 121.175 1.968 1 1 509 . 2 1 1 A 39 39 TYR H H 38 8.681 7.972 0.709 1 1 510 . 2 1 1 A 39 39 TYR HA H 38 4.331 4.385 -0.054 1 1 517 . 2 1 1 A 39 39 TYR C C 38 177.064 175.771 1.293 1 1 518 . 2 1 1 A 39 39 TYR CA C 38 57.769 58.964 -1.195 1 1 519 . 2 1 1 A 39 39 TYR CB C 38 39.552 38.842 0.710 1 1 522 . 2 1 1 A 39 39 TYR N N 38 128.699 122.822 5.877 1 1 523 . 2 1 1 A 40 40 LYS H H 39 8.454 8.201 0.253 1 1 524 . 2 1 1 A 40 40 LYS HA H 39 3.841 3.667 0.174 1 1 533 . 2 1 1 A 40 40 LYS C C 39 176.290 177.014 -0.724 1 1 534 . 2 1 1 A 40 40 LYS CA C 39 58.772 57.855 0.917 1 1 535 . 2 1 1 A 40 40 LYS CB C 39 31.738 31.554 0.184 1 1 539 . 2 1 1 A 40 40 LYS N N 39 130.022 125.443 4.579 1 1 540 . 2 1 1 A 41 41 GLY H H 40 5.457 8.622 -3.165 1 1 541 . 2 1 1 A 41 41 GLY HA2 H 40 3.306 4.007 -0.701 1 1 542 . 2 1 1 A 41 41 GLY HA3 H 40 3.999 4.093 -0.094 1 1 543 . 2 1 1 A 41 41 GLY C C 40 173.426 173.910 -0.484 1 1 544 . 2 1 1 A 41 41 GLY CA C 40 44.673 45.278 -0.605 1 1 545 . 2 1 1 A 41 41 GLY N N 40 104.628 112.812 -8.184 1 1 546 . 2 1 1 A 42 42 GLU H H 41 7.440 8.269 -0.829 1 1 547 . 2 1 1 A 42 42 GLU HA H 41 4.278 4.628 -0.350 1 1 552 . 2 1 1 A 42 42 GLU C C 41 176.306 176.482 -0.176 1 1 553 . 2 1 1 A 42 42 GLU CA C 41 56.358 55.198 1.160 1 1 554 . 2 1 1 A 42 42 GLU CB C 41 31.014 30.581 0.433 1 1 556 . 2 1 1 A 42 42 GLU N N 41 122.648 120.733 1.915 1 1 557 . 2 1 1 A 43 43 LYS H H 42 8.912 8.407 0.505 1 1 558 . 2 1 1 A 43 43 LYS HA H 42 4.680 4.594 0.086 1 1 567 . 2 1 1 A 43 43 LYS C C 42 177.063 178.481 -1.418 1 1 568 . 2 1 1 A 43 43 LYS CA C 42 55.652 56.984 -1.332 1 1 569 . 2 1 1 A 43 43 LYS CB C 42 34.871 34.058 0.813 1 1 573 . 2 1 1 A 43 43 LYS N N 42 123.569 123.190 0.379 1 1 574 . 2 1 1 A 44 44 GLN H H 43 8.446 8.077 0.369 1 1 575 . 2 1 1 A 44 44 GLN HA H 43 4.545 4.030 0.515 1 1 582 . 2 1 1 A 44 44 GLN C C 43 177.152 177.002 0.150 1 1 583 . 2 1 1 A 44 44 GLN CA C 43 57.561 58.999 -1.438 1 1 584 . 2 1 1 A 44 44 GLN CB C 43 30.671 28.631 2.040 1 1 587 . 2 1 1 A 44 44 GLN N N 43 118.990 118.504 0.486 1 1 589 . 2 1 1 A 45 45 LEU H H 44 9.043 8.101 0.942 1 1 590 . 2 1 1 A 45 45 LEU HA H 44 4.716 4.482 0.234 1 1 600 . 2 1 1 A 45 45 LEU CA C 44 53.078 53.884 -0.806 1 1 601 . 2 1 1 A 45 45 LEU CB C 44 43.614 41.190 2.424 1 1 605 . 2 1 1 A 45 45 LEU N N 44 120.375 120.158 0.217 1 1 606 . 2 1 1 A 46 46 PRO HA H 45 4.723 4.635 0.088 1 1 613 . 2 1 1 A 46 46 PRO C C 45 175.883 176.172 -0.289 1 1 614 . 2 1 1 A 46 46 PRO CA C 45 62.005 62.265 -0.260 1 1 615 . 2 1 1 A 46 46 PRO CB C 45 32.609 32.432 0.177 1 1 618 . 2 1 1 A 47 47 VAL H H 46 8.437 8.412 0.025 1 1 619 . 2 1 1 A 47 47 VAL HA H 46 3.914 4.520 -0.606 1 1 627 . 2 1 1 A 47 47 VAL C C 46 175.367 175.903 -0.536 1 1 628 . 2 1 1 A 47 47 VAL CA C 46 62.700 62.588 0.112 1 1 629 . 2 1 1 A 47 47 VAL CB C 46 32.927 32.400 0.527 1 1 632 . 2 1 1 A 47 47 VAL N N 46 118.440 121.564 -3.124 1 1 633 . 2 1 1 A 48 48 LEU H H 47 7.863 8.485 -0.622 1 1 634 . 2 1 1 A 48 48 LEU HA H 47 4.384 4.072 0.312 1 1 644 . 2 1 1 A 48 48 LEU C C 47 176.088 177.942 -1.854 1 1 645 . 2 1 1 A 48 48 LEU CA C 47 54.851 55.905 -1.054 1 1 646 . 2 1 1 A 48 48 LEU CB C 47 43.841 43.718 0.123 1 1 650 . 2 1 1 A 48 48 LEU N N 47 129.127 129.311 -0.184 1 1 651 . 2 1 1 A 49 49 ASP H H 48 8.699 8.573 0.126 1 1 652 . 2 1 1 A 49 49 ASP HA H 48 4.293 4.298 -0.005 1 1 655 . 2 1 1 A 49 49 ASP C C 48 175.121 176.249 -1.128 1 1 656 . 2 1 1 A 49 49 ASP CA C 48 55.717 57.264 -1.547 1 1 657 . 2 1 1 A 49 49 ASP CB C 48 40.260 40.762 -0.502 1 1 658 . 2 1 1 A 49 49 ASP N N 48 121.389 124.703 -3.314 1 1 659 . 2 1 1 A 50 50 LYS H H 49 7.251 7.514 -0.263 1 1 660 . 2 1 1 A 50 50 LYS HA H 49 4.540 4.472 0.068 1 1 669 . 2 1 1 A 50 50 LYS C C 49 174.664 176.032 -1.368 1 1 670 . 2 1 1 A 50 50 LYS CA C 49 53.211 55.226 -2.015 1 1 671 . 2 1 1 A 50 50 LYS CB C 49 35.514 32.927 2.587 1 1 675 . 2 1 1 A 50 50 LYS N N 49 118.260 114.190 4.070 1 1 676 . 2 1 1 A 51 51 THR H H 50 8.162 8.158 0.004 1 1 677 . 2 1 1 A 51 51 THR HA H 50 4.685 4.868 -0.183 1 1 682 . 2 1 1 A 51 51 THR C C 50 171.631 174.674 -3.043 1 1 683 . 2 1 1 A 51 51 THR CA C 50 63.581 62.034 1.547 1 1 684 . 2 1 1 A 51 51 THR CB C 50 71.587 70.105 1.482 1 1 686 . 2 1 1 A 51 51 THR N N 50 112.535 111.144 1.391 1 1 687 . 2 1 1 A 52 52 LYS H H 51 6.971 7.627 -0.656 1 1 688 . 2 1 1 A 52 52 LYS HA H 51 4.443 4.746 -0.303 1 1 697 . 2 1 1 A 52 52 LYS C C 51 175.417 175.950 -0.533 1 1 698 . 2 1 1 A 52 52 LYS CA C 51 55.209 55.666 -0.457 1 1 699 . 2 1 1 A 52 52 LYS CB C 51 33.309 33.860 -0.551 1 1 703 . 2 1 1 A 52 52 LYS N N 51 120.227 121.625 -1.398 1 1 704 . 2 1 1 A 53 53 PHE H H 52 9.688 8.886 0.802 1 1 705 . 2 1 1 A 53 53 PHE HA H 52 5.675 4.952 0.723 1 1 712 . 2 1 1 A 53 53 PHE C C 52 174.348 174.645 -0.297 1 1 713 . 2 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1 1 714 . 2 1 1 A 53 53 PHE CB C 52 43.109 43.234 -0.125 1 1 716 . 2 1 1 A 53 53 PHE N N 52 124.646 121.558 3.088 1 1 717 . 2 1 1 A 54 54 LEU H H 53 8.470 9.077 -0.607 1 1 718 . 2 1 1 A 54 54 LEU HA H 53 5.044 4.832 0.212 1 1 728 . 2 1 1 A 54 54 LEU C C 53 176.144 175.108 1.036 1 1 729 . 2 1 1 A 54 54 LEU CA C 53 52.954 53.188 -0.234 1 1 730 . 2 1 1 A 54 54 LEU CB C 53 45.081 42.221 2.860 1 1 734 . 2 1 1 A 54 54 LEU N N 53 119.430 123.958 -4.528 1 1 735 . 2 1 1 A 55 55 VAL H H 54 8.802 8.679 0.123 1 1 736 . 2 1 1 A 55 55 VAL HA H 54 4.640 4.741 -0.101 1 1 744 . 2 1 1 A 55 55 VAL CA C 54 58.549 59.907 -1.358 1 1 745 . 2 1 1 A 55 55 VAL CB C 54 35.342 33.585 1.757 1 1 748 . 2 1 1 A 55 55 VAL N N 54 123.841 125.305 -1.464 1 1 749 . 2 1 1 A 56 56 PRO HA H 55 4.439 4.739 -0.300 1 1 756 . 2 1 1 A 56 56 PRO C C 55 176.666 176.753 -0.087 1 1 757 . 2 1 1 A 56 56 PRO CA C 55 64.256 62.507 1.749 1 1 758 . 2 1 1 A 56 56 PRO CB C 55 32.783 31.939 0.844 1 1 761 . 2 1 1 A 57 57 ASP H H 56 8.412 8.045 0.367 1 1 762 . 2 1 1 A 57 57 ASP HA H 56 3.848 4.582 -0.734 1 1 765 . 2 1 1 A 57 57 ASP C C 56 175.417 176.683 -1.266 1 1 766 . 2 1 1 A 57 57 ASP CA C 56 56.616 53.888 2.728 1 1 767 . 2 1 1 A 57 57 ASP CB C 56 40.410 39.893 0.517 1 1 768 . 2 1 1 A 57 57 ASP N N 56 120.415 122.487 -2.072 1 1 769 . 2 1 1 A 58 58 HIS H H 57 7.373 8.251 -0.878 1 1 770 . 2 1 1 A 58 58 HIS HA H 57 4.770 4.872 -0.102 1 1 775 . 2 1 1 A 58 58 HIS C C 57 176.594 174.157 2.437 1 1 776 . 2 1 1 A 58 58 HIS CA C 57 55.584 55.226 0.358 1 1 777 . 2 1 1 A 58 58 HIS CB C 57 30.628 31.349 -0.721 1 1 780 . 2 1 1 A 58 58 HIS N N 57 113.439 114.577 -1.138 1 1 781 . 2 1 1 A 59 59 VAL H H 58 7.249 7.651 -0.402 1 1 782 . 2 1 1 A 59 59 VAL HA H 58 3.903 4.795 -0.892 1 1 790 . 2 1 1 A 59 59 VAL C C 58 175.014 174.256 0.758 1 1 791 . 2 1 1 A 59 59 VAL CA C 58 62.726 58.935 3.791 1 1 792 . 2 1 1 A 59 59 VAL CB C 58 32.190 36.384 -4.194 1 1 795 . 2 1 1 A 59 59 VAL N N 58 122.597 115.880 6.717 1 1 796 . 2 1 1 A 60 60 ASN H H 59 8.677 8.466 0.211 1 1 797 . 2 1 1 A 60 60 ASN HA H 59 5.187 5.125 0.062 1 1 802 . 2 1 1 A 60 60 ASN C C 59 176.477 176.820 -0.343 1 1 803 . 2 1 1 A 60 60 ASN CA C 59 51.181 51.300 -0.119 1 1 804 . 2 1 1 A 60 60 ASN CB C 59 39.947 40.477 -0.530 1 1 806 . 2 1 1 A 60 60 ASN N N 59 122.962 119.864 3.098 1 1 808 . 2 1 1 A 61 61 MET H H 60 8.038 8.538 -0.500 1 1 809 . 2 1 1 A 61 61 MET HA H 60 4.426 4.237 0.189 1 1 817 . 2 1 1 A 61 61 MET C C 60 177.996 178.474 -0.478 1 1 818 . 2 1 1 A 61 61 MET CA C 60 57.118 58.051 -0.933 1 1 819 . 2 1 1 A 61 61 MET CB C 60 29.998 32.260 -2.262 1 1 822 . 2 1 1 A 61 61 MET N N 60 116.814 119.278 -2.464 1 1 823 . 2 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1 1 824 . 2 1 1 A 62 62 SER HA H 61 4.132 4.119 0.013 1 1 827 . 2 1 1 A 62 62 SER C C 61 177.255 177.472 -0.217 1 1 828 . 2 1 1 A 62 62 SER CA C 61 61.559 61.474 0.085 1 1 829 . 2 1 1 A 62 62 SER CB C 61 62.430 63.174 -0.744 1 1 830 . 2 1 1 A 62 62 SER N N 61 114.109 115.576 -1.467 1 1 831 . 2 1 1 A 63 63 GLU H H 62 8.014 7.842 0.172 1 1 832 . 2 1 1 A 63 63 GLU HA H 62 4.016 3.987 0.029 1 1 837 . 2 1 1 A 63 63 GLU C C 62 178.327 178.961 -0.634 1 1 838 . 2 1 1 A 63 63 GLU CA C 62 58.787 59.370 -0.583 1 1 839 . 2 1 1 A 63 63 GLU CB C 62 29.814 29.366 0.448 1 1 841 . 2 1 1 A 63 63 GLU N N 62 122.806 121.423 1.383 1 1 842 . 2 1 1 A 64 64 LEU H H 63 8.254 8.232 0.022 1 1 843 . 2 1 1 A 64 64 LEU HA H 63 3.932 4.023 -0.091 1 1 853 . 2 1 1 A 64 64 LEU C C 63 178.029 178.441 -0.412 1 1 854 . 2 1 1 A 64 64 LEU CA C 63 57.986 57.957 0.029 1 1 855 . 2 1 1 A 64 64 LEU CB C 63 41.377 41.864 -0.487 1 1 859 . 2 1 1 A 64 64 LEU N N 63 120.526 121.930 -1.404 1 1 860 . 2 1 1 A 65 65 ILE H H 64 8.415 8.567 -0.152 1 1 861 . 2 1 1 A 65 65 ILE HA H 64 3.377 3.663 -0.286 1 1 871 . 2 1 1 A 65 65 ILE C C 64 177.078 178.198 -1.120 1 1 872 . 2 1 1 A 65 65 ILE CA C 64 66.699 65.757 0.942 1 1 873 . 2 1 1 A 65 65 ILE CB C 64 38.128 37.555 0.573 1 1 877 . 2 1 1 A 65 65 ILE N N 64 118.349 119.841 -1.492 1 1 878 . 2 1 1 A 66 66 LYS H H 65 7.366 8.212 -0.846 1 1 879 . 2 1 1 A 66 66 LYS HA H 65 3.696 4.051 -0.355 1 1 888 . 2 1 1 A 66 66 LYS C C 65 179.260 179.729 -0.469 1 1 889 . 2 1 1 A 66 66 LYS CA C 65 60.593 59.779 0.814 1 1 890 . 2 1 1 A 66 66 LYS CB C 65 32.421 32.477 -0.056 1 1 894 . 2 1 1 A 66 66 LYS N N 65 118.334 119.245 -0.911 1 1 895 . 2 1 1 A 67 67 ILE H H 66 8.179 8.450 -0.271 1 1 896 . 2 1 1 A 67 67 ILE HA H 66 3.546 3.740 -0.194 1 1 906 . 2 1 1 A 67 67 ILE C C 66 178.784 178.686 0.098 1 1 907 . 2 1 1 A 67 67 ILE CA C 66 65.488 64.706 0.782 1 1 908 . 2 1 1 A 67 67 ILE CB C 66 38.593 36.992 1.601 1 1 912 . 2 1 1 A 67 67 ILE N N 66 119.791 120.787 -0.996 1 1 913 . 2 1 1 A 68 68 ILE H H 67 8.279 8.048 0.231 1 1 914 . 2 1 1 A 68 68 ILE HA H 67 3.391 3.535 -0.144 1 1 924 . 2 1 1 A 68 68 ILE C C 67 177.403 177.542 -0.139 1 1 925 . 2 1 1 A 68 68 ILE CA C 67 63.144 64.796 -1.652 1 1 926 . 2 1 1 A 68 68 ILE CB C 67 35.269 37.452 -2.183 1 1 930 . 2 1 1 A 68 68 ILE N N 67 120.267 122.085 -1.818 1 1 931 . 2 1 1 A 69 69 ARG H H 68 8.454 8.179 0.275 1 1 932 . 2 1 1 A 69 69 ARG HA H 68 2.966 3.384 -0.418 1 1 939 . 2 1 1 A 69 69 ARG C C 68 178.385 178.024 0.361 1 1 940 . 2 1 1 A 69 69 ARG CA C 68 60.642 58.455 2.187 1 1 941 . 2 1 1 A 69 69 ARG CB C 68 30.442 29.951 0.491 1 1 944 . 2 1 1 A 69 69 ARG N N 68 118.881 120.411 -1.530 1 1 945 . 2 1 1 A 70 70 ARG H H 69 7.492 8.224 -0.732 1 1 946 . 2 1 1 A 70 70 ARG HA H 69 4.164 4.042 0.122 1 1 954 . 2 1 1 A 70 70 ARG C C 69 180.253 178.727 1.526 1 1 955 . 2 1 1 A 70 70 ARG CA C 69 58.510 59.394 -0.884 1 1 956 . 2 1 1 A 70 70 ARG CB C 69 29.587 29.881 -0.294 1 1 960 . 2 1 1 A 70 70 ARG N N 69 116.411 118.944 -2.533 1 1 962 . 2 1 1 A 71 71 ARG H H 70 8.086 8.097 -0.011 1 1 963 . 2 1 1 A 71 71 ARG HA H 70 4.025 4.023 0.002 1 1 970 . 2 1 1 A 71 71 ARG C C 70 178.558 178.461 0.097 1 1 971 . 2 1 1 A 71 71 ARG CA C 70 59.428 59.184 0.244 1 1 972 . 2 1 1 A 71 71 ARG CB C 70 30.235 30.326 -0.091 1 1 975 . 2 1 1 A 71 71 ARG N N 70 122.779 119.375 3.404 1 1 976 . 2 1 1 A 72 72 LEU H H 71 7.755 7.616 0.139 1 1 977 . 2 1 1 A 72 72 LEU HA H 71 4.081 4.026 0.055 1 1 987 . 2 1 1 A 72 72 LEU C C 71 174.852 176.586 -1.734 1 1 988 . 2 1 1 A 72 72 LEU CA C 71 55.060 56.147 -1.087 1 1 989 . 2 1 1 A 72 72 LEU CB C 71 43.109 41.434 1.675 1 1 993 . 2 1 1 A 72 72 LEU N N 71 116.551 119.114 -2.563 1 1 994 . 2 1 1 A 73 73 GLN H H 72 7.740 7.675 0.065 1 1 995 . 2 1 1 A 73 73 GLN HA H 72 3.853 3.952 -0.099 1 1 1002 . 2 1 1 A 73 73 GLN C C 72 175.619 174.905 0.714 1 1 1003 . 2 1 1 A 73 73 GLN CA C 72 56.273 56.538 -0.265 1 1 1004 . 2 1 1 A 73 73 GLN CB C 72 25.939 26.429 -0.490 1 1 1007 . 2 1 1 A 73 73 GLN N N 72 114.737 117.871 -3.134 1 1 1009 . 2 1 1 A 74 74 LEU H H 73 7.525 7.906 -0.381 1 1 1010 . 2 1 1 A 74 74 LEU HA H 73 4.242 4.399 -0.157 1 1 1020 . 2 1 1 A 74 74 LEU C C 73 178.611 176.506 2.105 1 1 1021 . 2 1 1 A 74 74 LEU CA C 73 54.382 54.523 -0.141 1 1 1022 . 2 1 1 A 74 74 LEU CB C 73 41.995 42.311 -0.316 1 1 1026 . 2 1 1 A 74 74 LEU N N 73 114.861 120.500 -5.639 1 1 1027 . 2 1 1 A 75 75 ASN H H 74 8.970 8.644 0.326 1 1 1028 . 2 1 1 A 75 75 ASN HA H 74 4.694 4.952 -0.258 1 1 1033 . 2 1 1 A 75 75 ASN C C 74 176.527 176.293 0.234 1 1 1034 . 2 1 1 A 75 75 ASN CA C 74 52.686 51.453 1.233 1 1 1035 . 2 1 1 A 75 75 ASN CB C 74 39.583 40.728 -1.145 1 1 1037 . 2 1 1 A 75 75 ASN N N 74 121.274 119.687 1.587 1 1 1039 . 2 1 1 A 76 76 ALA H H 75 8.697 8.829 -0.132 1 1 1040 . 2 1 1 A 76 76 ALA HA H 75 3.966 4.008 -0.042 1 1 1044 . 2 1 1 A 76 76 ALA C C 75 178.002 179.587 -1.585 1 1 1045 . 2 1 1 A 76 76 ALA CA C 75 54.797 54.757 0.040 1 1 1046 . 2 1 1 A 76 76 ALA CB C 75 18.669 18.334 0.335 1 1 1047 . 2 1 1 A 76 76 ALA N N 75 123.590 125.802 -2.212 1 1 1048 . 2 1 1 A 77 77 ASN H H 76 8.344 7.847 0.497 1 1 1049 . 2 1 1 A 77 77 ASN HA H 76 4.585 4.672 -0.087 1 1 1054 . 2 1 1 A 77 77 ASN C C 76 175.371 176.142 -0.771 1 1 1055 . 2 1 1 A 77 77 ASN CA C 76 53.183 55.045 -1.862 1 1 1056 . 2 1 1 A 77 77 ASN CB C 76 38.277 38.918 -0.641 1 1 1058 . 2 1 1 A 77 77 ASN N N 76 112.004 114.392 -2.388 1 1 1060 . 2 1 1 A 78 78 GLN H H 77 7.532 7.656 -0.124 1 1 1061 . 2 1 1 A 78 78 GLN HA H 77 4.281 4.192 0.089 1 1 1068 . 2 1 1 A 78 78 GLN C C 77 175.001 174.998 0.003 1 1 1069 . 2 1 1 A 78 78 GLN CA C 77 55.875 56.218 -0.343 1 1 1070 . 2 1 1 A 78 78 GLN CB C 77 30.227 29.224 1.003 1 1 1073 . 2 1 1 A 78 78 GLN N N 77 120.237 119.286 0.951 1 1 1075 . 2 1 1 A 79 79 ALA H H 78 8.732 8.453 0.279 1 1 1076 . 2 1 1 A 79 79 ALA HA H 78 4.183 5.504 -1.321 1 1 1080 . 2 1 1 A 79 79 ALA C C 78 176.367 175.741 0.626 1 1 1081 . 2 1 1 A 79 79 ALA CA C 78 52.798 50.162 2.636 1 1 1082 . 2 1 1 A 79 79 ALA CB C 78 20.051 22.922 -2.871 1 1 1083 . 2 1 1 A 79 79 ALA N N 78 130.399 127.424 2.975 1 1 1084 . 2 1 1 A 80 80 PHE H H 79 7.603 8.569 -0.966 1 1 1085 . 2 1 1 A 80 80 PHE HA H 79 4.449 5.249 -0.800 1 1 1093 . 2 1 1 A 80 80 PHE C C 79 171.709 173.007 -1.298 1 1 1094 . 2 1 1 A 80 80 PHE CA C 79 59.101 57.206 1.895 1 1 1095 . 2 1 1 A 80 80 PHE CB C 79 42.282 42.755 -0.473 1 1 1099 . 2 1 1 A 80 80 PHE N N 79 118.988 122.679 -3.691 1 1 1100 . 2 1 1 A 81 81 PHE H H 80 8.507 9.295 -0.788 1 1 1101 . 2 1 1 A 81 81 PHE HA H 80 4.421 4.466 -0.045 1 1 1109 . 2 1 1 A 81 81 PHE C C 80 172.644 173.836 -1.192 1 1 1110 . 2 1 1 A 81 81 PHE CA C 80 56.711 55.995 0.716 1 1 1111 . 2 1 1 A 81 81 PHE CB C 80 41.880 43.008 -1.128 1 1 1115 . 2 1 1 A 81 81 PHE N N 80 126.042 124.620 1.422 1 1 1116 . 2 1 1 A 82 82 LEU H H 81 8.199 8.752 -0.553 1 1 1117 . 2 1 1 A 82 82 LEU HA H 81 4.883 5.007 -0.124 1 1 1127 . 2 1 1 A 82 82 LEU C C 81 174.440 174.801 -0.361 1 1 1128 . 2 1 1 A 82 82 LEU CA C 81 53.153 53.837 -0.684 1 1 1129 . 2 1 1 A 82 82 LEU CB C 81 45.520 43.980 1.540 1 1 1133 . 2 1 1 A 82 82 LEU N N 81 121.512 125.156 -3.644 1 1 1134 . 2 1 1 A 83 83 LEU H H 82 9.349 9.942 -0.593 1 1 1135 . 2 1 1 A 83 83 LEU HA H 82 4.810 4.906 -0.096 1 1 1145 . 2 1 1 A 83 83 LEU C C 82 177.075 175.738 1.337 1 1 1146 . 2 1 1 A 83 83 LEU CA C 82 54.122 53.610 0.512 1 1 1147 . 2 1 1 A 83 83 LEU CB C 82 43.394 42.175 1.219 1 1 1151 . 2 1 1 A 83 83 LEU N N 82 125.253 129.337 -4.084 1 1 1152 . 2 1 1 A 84 84 VAL H H 83 8.681 9.059 -0.378 1 1 1153 . 2 1 1 A 84 84 VAL HA H 83 4.411 4.029 0.382 1 1 1161 . 2 1 1 A 84 84 VAL C C 83 175.797 176.317 -0.520 1 1 1162 . 2 1 1 A 84 84 VAL CA C 83 61.630 62.458 -0.828 1 1 1163 . 2 1 1 A 84 84 VAL CB C 83 33.647 31.136 2.511 1 1 1166 . 2 1 1 A 84 84 VAL N N 83 123.543 125.583 -2.040 1 1 1167 . 2 1 1 A 85 85 ASN H H 84 9.622 9.255 0.367 1 1 1168 . 2 1 1 A 85 85 ASN HA H 84 4.399 4.622 -0.223 1 1 1173 . 2 1 1 A 85 85 ASN C C 84 175.042 174.939 0.103 1 1 1174 . 2 1 1 A 85 85 ASN CA C 84 54.610 54.215 0.395 1 1 1175 . 2 1 1 A 85 85 ASN CB C 84 37.927 36.821 1.106 1 1 1177 . 2 1 1 A 85 85 ASN N N 84 125.848 127.250 -1.402 1 1 1179 . 2 1 1 A 86 86 GLY H H 85 8.551 8.351 0.200 1 1 1180 . 2 1 1 A 86 86 GLY HA2 H 85 3.368 3.899 -0.531 1 1 1181 . 2 1 1 A 86 86 GLY HA3 H 85 4.064 3.931 0.133 1 1 1182 . 2 1 1 A 86 86 GLY C C 85 173.524 173.648 -0.124 1 1 1183 . 2 1 1 A 86 86 GLY CA C 85 45.588 45.373 0.215 1 1 1184 . 2 1 1 A 86 86 GLY N N 85 101.093 104.114 -3.021 1 1 1185 . 2 1 1 A 87 87 HIS H H 86 7.906 7.323 0.583 1 1 1186 . 2 1 1 A 87 87 HIS HA H 86 5.003 5.193 -0.190 1 1 1191 . 2 1 1 A 87 87 HIS C C 86 173.910 174.395 -0.485 1 1 1192 . 2 1 1 A 87 87 HIS CA C 86 54.213 53.812 0.401 1 1 1193 . 2 1 1 A 87 87 HIS CB C 86 31.482 33.089 -1.607 1 1 1196 . 2 1 1 A 87 87 HIS N N 86 117.253 115.028 2.225 1 1 1197 . 2 1 1 A 88 88 SER H H 87 8.846 9.044 -0.198 1 1 1198 . 2 1 1 A 88 88 SER HA H 87 4.702 4.474 0.228 1 1 1201 . 2 1 1 A 88 88 SER C C 87 175.739 175.549 0.190 1 1 1202 . 2 1 1 A 88 88 SER CA C 87 58.245 58.011 0.234 1 1 1203 . 2 1 1 A 88 88 SER CB C 87 63.764 64.938 -1.174 1 1 1204 . 2 1 1 A 88 88 SER N N 87 117.469 114.931 2.538 1 1 1205 . 2 1 1 A 89 89 MET H H 88 9.174 8.573 0.601 1 1 1206 . 2 1 1 A 89 89 MET HA H 88 4.820 4.800 0.020 1 1 1214 . 2 1 1 A 89 89 MET C C 88 176.294 176.508 -0.214 1 1 1215 . 2 1 1 A 89 89 MET CA C 88 54.853 54.632 0.221 1 1 1216 . 2 1 1 A 89 89 MET CB C 88 33.183 33.242 -0.059 1 1 1219 . 2 1 1 A 89 89 MET N N 88 125.111 117.348 7.763 1 1 1220 . 2 1 1 A 90 90 VAL H H 89 8.217 7.561 0.656 1 1 1221 . 2 1 1 A 90 90 VAL HA H 89 4.063 3.747 0.316 1 1 1229 . 2 1 1 A 90 90 VAL C C 89 176.249 176.889 -0.640 1 1 1230 . 2 1 1 A 90 90 VAL CA C 89 63.377 63.503 -0.126 1 1 1231 . 2 1 1 A 90 90 VAL CB C 89 32.473 31.648 0.825 1 1 1234 . 2 1 1 A 90 90 VAL N N 89 120.477 122.234 -1.757 1 1 1235 . 2 1 1 A 91 91 SER H H 90 8.356 8.920 -0.564 1 1 1236 . 2 1 1 A 91 91 SER HA H 90 4.614 4.165 0.449 1 1 1239 . 2 1 1 A 91 91 SER C C 90 175.841 174.250 1.591 1 1 1240 . 2 1 1 A 91 91 SER CA C 90 57.860 59.467 -1.607 1 1 1241 . 2 1 1 A 91 91 SER CB C 90 63.398 62.727 0.671 1 1 1242 . 2 1 1 A 91 91 SER N N 90 116.676 123.801 -7.125 1 1 1243 . 2 1 1 A 92 92 VAL H H 91 8.158 7.782 0.376 1 1 1244 . 2 1 1 A 92 92 VAL HA H 91 4.245 3.977 0.268 1 1 1252 . 2 1 1 A 92 92 VAL C C 91 175.856 175.759 0.097 1 1 1253 . 2 1 1 A 92 92 VAL CA C 91 63.121 63.473 -0.352 1 1 1254 . 2 1 1 A 92 92 VAL CB C 91 31.872 32.196 -0.324 1 1 1257 . 2 1 1 A 92 92 VAL N N 91 119.994 121.876 -1.882 1 1 1258 . 2 1 1 A 93 93 SER H H 92 8.368 8.762 -0.394 1 1 1259 . 2 1 1 A 93 93 SER HA H 92 4.581 4.774 -0.193 1 1 1262 . 2 1 1 A 93 93 SER C C 92 174.154 172.606 1.548 1 1 1263 . 2 1 1 A 93 93 SER CA C 92 57.706 58.088 -0.382 1 1 1264 . 2 1 1 A 93 93 SER CB C 92 63.126 64.664 -1.538 1 1 1265 . 2 1 1 A 93 93 SER N N 92 116.504 125.315 -8.811 1 1 1266 . 2 1 1 A 94 94 THR H H 93 7.427 7.538 -0.111 1 1 1267 . 2 1 1 A 94 94 THR HA H 93 4.464 4.651 -0.187 1 1 1272 . 2 1 1 A 94 94 THR CA C 93 61.032 59.142 1.890 1 1 1273 . 2 1 1 A 94 94 THR CB C 93 70.505 71.580 -1.075 1 1 1275 . 2 1 1 A 94 94 THR N N 93 119.172 116.712 2.460 1 1 1276 . 2 1 1 A 95 95 PRO HA H 94 4.426 4.712 -0.286 1 1 1283 . 2 1 1 A 95 95 PRO C C 94 178.692 178.002 0.690 1 1 1284 . 2 1 1 A 95 95 PRO CA C 94 62.921 62.673 0.248 1 1 1285 . 2 1 1 A 95 95 PRO CB C 94 32.774 32.645 0.129 1 1 1288 . 2 1 1 A 96 96 ILE H H 95 9.324 9.017 0.307 1 1 1289 . 2 1 1 A 96 96 ILE HA H 95 3.956 4.016 -0.060 1 1 1299 . 2 1 1 A 96 96 ILE C C 95 176.415 176.882 -0.467 1 1 1300 . 2 1 1 A 96 96 ILE CA C 95 63.880 63.501 0.379 1 1 1301 . 2 1 1 A 96 96 ILE CB C 95 38.055 38.136 -0.081 1 1 1305 . 2 1 1 A 96 96 ILE N N 95 123.862 125.367 -1.505 1 1 1306 . 2 1 1 A 97 97 SER H H 96 8.211 8.332 -0.121 1 1 1307 . 2 1 1 A 97 97 SER HA H 96 3.978 4.094 -0.116 1 1 1310 . 2 1 1 A 97 97 SER C C 96 176.494 177.114 -0.620 1 1 1311 . 2 1 1 A 97 97 SER CA C 96 61.576 61.471 0.105 1 1 1312 . 2 1 1 A 97 97 SER CB C 96 61.262 62.300 -1.038 1 1 1313 . 2 1 1 A 97 97 SER N N 96 116.529 117.335 -0.806 1 1 1314 . 2 1 1 A 98 98 GLU H H 97 7.329 8.009 -0.680 1 1 1315 . 2 1 1 A 98 98 GLU HA H 97 4.290 4.312 -0.022 1 1 1320 . 2 1 1 A 98 98 GLU C C 97 179.288 178.874 0.414 1 1 1321 . 2 1 1 A 98 98 GLU CA C 97 58.705 59.055 -0.350 1 1 1322 . 2 1 1 A 98 98 GLU CB C 97 29.791 30.305 -0.514 1 1 1324 . 2 1 1 A 98 98 GLU N N 97 122.955 122.420 0.535 1 1 1325 . 2 1 1 A 99 99 VAL H H 98 7.386 8.409 -1.023 1 1 1326 . 2 1 1 A 99 99 VAL HA H 98 3.815 3.761 0.054 1 1 1334 . 2 1 1 A 99 99 VAL C C 98 177.662 178.091 -0.429 1 1 1335 . 2 1 1 A 99 99 VAL CA C 98 65.774 66.140 -0.366 1 1 1336 . 2 1 1 A 99 99 VAL CB C 98 32.047 31.700 0.347 1 1 1339 . 2 1 1 A 99 99 VAL N N 98 120.888 120.754 0.134 1 1 1340 . 2 1 1 A 100 100 TYR H H 99 8.984 7.757 1.227 1 1 1341 . 2 1 1 A 100 100 TYR HA H 99 4.013 4.318 -0.305 1 1 1348 . 2 1 1 A 100 100 TYR C C 99 176.355 178.131 -1.776 1 1 1349 . 2 1 1 A 100 100 TYR CA C 99 62.118 60.948 1.170 1 1 1350 . 2 1 1 A 100 100 TYR CB C 99 38.921 38.392 0.529 1 1 1353 . 2 1 1 A 100 100 TYR N N 99 118.874 120.671 -1.797 1 1 1354 . 2 1 1 A 101 101 GLU H H 100 7.433 8.774 -1.341 1 1 1355 . 2 1 1 A 101 101 GLU HA H 100 3.833 4.203 -0.370 1 1 1360 . 2 1 1 A 101 101 GLU C C 100 177.674 176.839 0.835 1 1 1361 . 2 1 1 A 101 101 GLU CA C 100 58.895 57.994 0.901 1 1 1362 . 2 1 1 A 101 101 GLU CB C 100 29.577 28.848 0.729 1 1 1364 . 2 1 1 A 101 101 GLU N N 100 114.383 118.042 -3.659 1 1 1365 . 2 1 1 A 102 102 SER H H 101 7.423 8.033 -0.610 1 1 1366 . 2 1 1 A 102 102 SER HA H 101 4.552 4.721 -0.169 1 1 1369 . 2 1 1 A 102 102 SER C C 101 176.554 174.739 1.815 1 1 1370 . 2 1 1 A 102 102 SER CA C 101 60.200 58.343 1.857 1 1 1371 . 2 1 1 A 102 102 SER CB C 101 64.828 64.279 0.549 1 1 1372 . 2 1 1 A 102 102 SER N N 101 108.722 115.256 -6.534 1 1 1373 . 2 1 1 A 103 103 GLU H H 102 8.488 7.754 0.734 1 1 1374 . 2 1 1 A 103 103 GLU HA H 102 4.752 4.503 0.249 1 1 1379 . 2 1 1 A 103 103 GLU C C 102 176.653 176.355 0.298 1 1 1380 . 2 1 1 A 103 103 GLU CA C 102 55.464 57.321 -1.857 1 1 1381 . 2 1 1 A 103 103 GLU CB C 102 30.611 32.256 -1.645 1 1 1383 . 2 1 1 A 103 103 GLU N N 102 116.116 118.660 -2.544 1 1 1384 . 2 1 1 A 104 104 ARG H H 103 7.511 7.690 -0.179 1 1 1385 . 2 1 1 A 104 104 ARG HA H 103 4.241 4.159 0.082 1 1 1392 . 2 1 1 A 104 104 ARG C C 103 174.634 175.558 -0.924 1 1 1393 . 2 1 1 A 104 104 ARG CA C 103 56.926 56.166 0.760 1 1 1394 . 2 1 1 A 104 104 ARG CB C 103 29.713 29.924 -0.211 1 1 1397 . 2 1 1 A 104 104 ARG N N 103 117.180 118.147 -0.967 1 1 1398 . 2 1 1 A 105 105 ASP H H 104 9.069 8.973 0.096 1 1 1399 . 2 1 1 A 105 105 ASP HA H 104 4.774 5.035 -0.261 1 1 1402 . 2 1 1 A 105 105 ASP C C 104 177.460 177.009 0.451 1 1 1403 . 2 1 1 A 105 105 ASP CA C 104 53.852 52.563 1.289 1 1 1404 . 2 1 1 A 105 105 ASP CB C 104 43.424 43.424 0.000 1 1 1405 . 2 1 1 A 105 105 ASP N N 104 123.349 122.400 0.949 1 1 1406 . 2 1 1 A 106 106 GLU H H 105 8.982 8.935 0.047 1 1 1407 . 2 1 1 A 106 106 GLU HA H 105 4.199 4.003 0.196 1 1 1412 . 2 1 1 A 106 106 GLU C C 105 177.398 178.078 -0.680 1 1 1413 . 2 1 1 A 106 106 GLU CA C 105 59.413 60.121 -0.708 1 1 1414 . 2 1 1 A 106 106 GLU CB C 105 29.983 29.610 0.373 1 1 1416 . 2 1 1 A 106 106 GLU N N 105 125.197 120.928 4.269 1 1 1417 . 2 1 1 A 107 107 ASP H H 106 9.873 7.959 1.914 1 1 1418 . 2 1 1 A 107 107 ASP HA H 106 4.211 4.218 -0.007 1 1 1421 . 2 1 1 A 107 107 ASP C C 106 175.775 176.737 -0.962 1 1 1422 . 2 1 1 A 107 107 ASP CA C 106 54.698 55.103 -0.405 1 1 1423 . 2 1 1 A 107 107 ASP CB C 106 40.187 41.032 -0.845 1 1 1424 . 2 1 1 A 107 107 ASP N N 106 118.717 116.976 1.741 1 1 1425 . 2 1 1 A 108 108 GLY H H 107 7.971 8.170 -0.199 1 1 1426 . 2 1 1 A 108 108 GLY HA2 H 107 3.431 3.904 -0.473 1 1 1427 . 2 1 1 A 108 108 GLY HA3 H 107 4.526 3.956 0.570 1 1 1428 . 2 1 1 A 108 108 GLY C C 107 175.138 174.357 0.781 1 1 1429 . 2 1 1 A 108 108 GLY CA C 107 45.029 45.553 -0.524 1 1 1430 . 2 1 1 A 108 108 GLY N N 107 105.017 108.643 -3.626 1 1 1431 . 2 1 1 A 109 109 PHE H H 108 9.799 7.661 2.138 1 1 1432 . 2 1 1 A 109 109 PHE HA H 108 4.607 4.737 -0.130 1 1 1440 . 2 1 1 A 109 109 PHE C C 108 175.171 174.917 0.254 1 1 1441 . 2 1 1 A 109 109 PHE CA C 108 60.222 56.666 3.556 1 1 1442 . 2 1 1 A 109 109 PHE CB C 108 40.433 41.536 -1.103 1 1 1446 . 2 1 1 A 109 109 PHE N N 108 123.309 119.241 4.068 1 1 1447 . 2 1 1 A 110 110 LEU H H 109 8.061 8.669 -0.608 1 1 1448 . 2 1 1 A 110 110 LEU HA H 109 5.022 4.380 0.642 1 1 1458 . 2 1 1 A 110 110 LEU C C 109 174.033 175.788 -1.755 1 1 1459 . 2 1 1 A 110 110 LEU CA C 109 53.539 54.814 -1.275 1 1 1460 . 2 1 1 A 110 110 LEU CB C 109 45.284 42.190 3.094 1 1 1464 . 2 1 1 A 110 110 LEU N N 109 119.999 125.396 -5.397 1 1 1465 . 2 1 1 A 111 111 TYR H H 110 9.363 9.259 0.104 1 1 1466 . 2 1 1 A 111 111 TYR HA H 110 4.906 5.065 -0.159 1 1 1473 . 2 1 1 A 111 111 TYR C C 110 176.538 174.917 1.621 1 1 1474 . 2 1 1 A 111 111 TYR CA C 110 59.335 56.558 2.777 1 1 1475 . 2 1 1 A 111 111 TYR CB C 110 39.485 40.105 -0.620 1 1 1478 . 2 1 1 A 111 111 TYR N N 110 126.322 122.807 3.515 1 1 1479 . 2 1 1 A 112 112 MET H H 111 9.496 8.684 0.812 1 1 1480 . 2 1 1 A 112 112 MET HA H 111 5.522 5.282 0.240 1 1 1488 . 2 1 1 A 112 112 MET C C 111 175.676 174.305 1.371 1 1 1489 . 2 1 1 A 112 112 MET CA C 111 54.216 54.529 -0.313 1 1 1490 . 2 1 1 A 112 112 MET CB C 111 36.821 36.950 -0.129 1 1 1493 . 2 1 1 A 112 112 MET N N 111 119.003 123.674 -4.671 1 1 1494 . 2 1 1 A 113 113 VAL H H 112 8.749 8.891 -0.142 1 1 1495 . 2 1 1 A 113 113 VAL HA H 112 5.967 4.832 1.135 1 1 1503 . 2 1 1 A 113 113 VAL C C 112 174.893 175.236 -0.343 1 1 1504 . 2 1 1 A 113 113 VAL CA C 112 58.896 61.395 -2.499 1 1 1505 . 2 1 1 A 113 113 VAL CB C 112 36.149 33.250 2.899 1 1 1508 . 2 1 1 A 113 113 VAL N N 112 119.658 122.830 -3.172 1 1 1509 . 2 1 1 A 114 114 TYR H H 113 8.210 8.935 -0.725 1 1 1510 . 2 1 1 A 114 114 TYR HA H 113 6.141 6.141 0.000 1 1 1517 . 2 1 1 A 114 114 TYR C C 113 173.353 173.839 -0.486 1 1 1518 . 2 1 1 A 114 114 TYR CA C 113 54.161 55.188 -1.027 1 1 1519 . 2 1 1 A 114 114 TYR CB C 113 43.538 42.448 1.090 1 1 1522 . 2 1 1 A 114 114 TYR N N 113 118.947 123.720 -4.773 1 1 1523 . 2 1 1 A 115 115 ALA H H 114 8.483 8.786 -0.303 1 1 1524 . 2 1 1 A 115 115 ALA HA H 114 4.762 4.650 0.112 1 1 1528 . 2 1 1 A 115 115 ALA C C 114 176.033 177.359 -1.326 1 1 1529 . 2 1 1 A 115 115 ALA CA C 114 51.223 51.245 -0.022 1 1 1530 . 2 1 1 A 115 115 ALA CB C 114 24.521 22.758 1.763 1 1 1531 . 2 1 1 A 115 115 ALA N N 114 119.557 121.941 -2.384 1 1 1532 . 2 1 1 A 116 116 SER H H 115 9.835 8.656 1.179 1 1 1533 . 2 1 1 A 116 116 SER HA H 115 4.497 5.121 -0.624 1 1 1536 . 2 1 1 A 116 116 SER C C 115 172.664 173.863 -1.199 1 1 1537 . 2 1 1 A 116 116 SER CA C 115 58.669 58.147 0.522 1 1 1538 . 2 1 1 A 116 116 SER CB C 115 63.570 63.856 -0.286 1 1 1539 . 2 1 1 A 116 116 SER N N 115 114.435 114.266 0.169 1 1 1540 . 2 1 1 A 117 117 GLN H H 116 7.180 7.579 -0.399 1 1 1541 . 2 1 1 A 117 117 GLN HA H 116 4.460 4.964 -0.504 1 1 1548 . 2 1 1 A 117 117 GLN C C 116 172.901 175.116 -2.215 1 1 1549 . 2 1 1 A 117 117 GLN CA C 116 53.974 55.371 -1.397 1 1 1550 . 2 1 1 A 117 117 GLN CB C 116 32.192 32.416 -0.224 1 1 1553 . 2 1 1 A 117 117 GLN N N 116 116.449 120.635 -4.186 1 1 1555 . 2 1 1 A 118 118 GLU H H 117 7.878 8.699 -0.821 1 1 1556 . 2 1 1 A 118 118 GLU HA H 117 3.259 4.647 -1.388 1 1 1561 . 2 1 1 A 118 118 GLU C C 117 175.233 176.801 -1.568 1 1 1562 . 2 1 1 A 118 118 GLU CA C 117 56.890 56.142 0.748 1 1 1563 . 2 1 1 A 118 118 GLU CB C 117 30.325 30.384 -0.059 1 1 1565 . 2 1 1 A 118 118 GLU N N 117 117.687 123.398 -5.711 1 1 1566 . 2 1 1 A 119 119 THR H H 118 6.968 7.606 -0.638 1 1 1567 . 2 1 1 A 119 119 THR HA H 118 4.082 4.512 -0.430 1 1 1572 . 2 1 1 A 119 119 THR C C 118 173.134 174.703 -1.569 1 1 1573 . 2 1 1 A 119 119 THR CA C 118 60.123 59.761 0.362 1 1 1574 . 2 1 1 A 119 119 THR CB C 118 70.147 68.479 1.668 1 1 1576 . 2 1 1 A 119 119 THR N N 118 109.548 108.231 1.317 1 1 1577 . 2 1 1 A 120 120 PHE H H 119 8.138 7.643 0.495 1 1 1578 . 2 1 1 A 120 120 PHE HA H 119 4.436 4.390 0.046 1 1 1586 . 2 1 1 A 120 120 PHE C C 119 174.902 177.092 -2.190 1 1 1587 . 2 1 1 A 120 120 PHE CA C 119 56.750 57.655 -0.905 1 1 1588 . 2 1 1 A 120 120 PHE CB C 119 39.411 39.060 0.351 1 1 1592 . 2 1 1 A 120 120 PHE N N 119 121.777 121.275 0.502 1 1 1607 . 2 2 2 B 2 2 SER H H 332 8.471 8.541 -0.070 1 1 1608 . 2 2 2 B 2 2 SER HA H 332 4.484 4.879 -0.395 1 1 1611 . 2 2 2 B 2 2 SER C C 332 174.962 173.449 1.513 1 1 1612 . 2 2 2 B 2 2 SER CA C 332 88.436 57.032 31.404 1 1 1613 . 2 2 2 B 2 2 SER CB C 332 93.927 65.910 28.017 1 1 1614 . 2 2 2 B 2 2 SER N N 332 147.261 113.369 33.892 1 1 1615 . 2 2 2 B 3 3 GLY H H 333 8.601 8.566 0.035 1 1 1616 . 2 2 2 B 3 3 GLY HA2 H 333 4.022 4.053 -0.031 1 1 1617 . 2 2 2 B 3 3 GLY HA3 H 333 4.022 4.055 -0.033 1 1 1618 . 2 2 2 B 3 3 GLY C C 333 174.774 173.711 1.063 1 1 1619 . 2 2 2 B 3 3 GLY CA C 333 75.465 45.095 30.370 1 1 1620 . 2 2 2 B 3 3 GLY N N 333 141.077 109.880 31.197 1 1 1621 . 2 2 2 B 4 4 GLY H H 334 8.372 7.856 0.516 1 1 1622 . 2 2 2 B 4 4 GLY HA2 H 334 3.980 4.270 -0.290 1 1 1623 . 2 2 2 B 4 4 GLY HA3 H 334 3.980 4.273 -0.293 1 1 1624 . 2 2 2 B 4 4 GLY C C 334 174.758 172.795 1.963 1 1 1625 . 2 2 2 B 4 4 GLY CA C 334 75.674 44.933 30.741 1 1 1626 . 2 2 2 B 4 4 GLY N N 334 138.894 107.511 31.383 1 1 1627 . 2 2 2 B 5 5 ASP H H 335 8.429 8.997 -0.568 1 1 1628 . 2 2 2 B 5 5 ASP HA H 335 4.610 5.105 -0.495 1 1 1631 . 2 2 2 B 5 5 ASP CA C 335 85.066 53.210 31.856 1 1 1632 . 2 2 2 B 5 5 ASP CB C 335 71.191 40.775 30.416 1 1 1633 . 2 2 2 B 5 5 ASP N N 335 149.637 121.524 28.113 1 1 1634 . 2 2 2 B 6 6 ASP H H 336 8.244 8.653 -0.409 1 1 1635 . 2 2 2 B 6 6 ASP HA H 336 4.559 4.742 -0.183 1 1 1638 . 2 2 2 B 6 6 ASP C C 336 175.432 175.997 -0.565 1 1 1639 . 2 2 2 B 6 6 ASP CA C 336 84.708 56.149 28.559 1 1 1640 . 2 2 2 B 6 6 ASP CB C 336 71.552 41.835 29.717 1 1 1641 . 2 2 2 B 6 6 ASP N N 336 148.885 122.719 26.166 1 1 1642 . 2 2 2 B 7 7 ASP H H 337 7.803 7.943 -0.140 1 1 1643 . 2 2 2 B 7 7 ASP HA H 337 4.655 5.099 -0.444 1 1 1646 . 2 2 2 B 7 7 ASP C C 337 175.362 174.995 0.367 1 1 1647 . 2 2 2 B 7 7 ASP CA C 337 83.670 52.575 31.095 1 1 1648 . 2 2 2 B 7 7 ASP CB C 337 71.933 43.429 28.504 1 1 1649 . 2 2 2 B 7 7 ASP N N 337 149.563 114.408 35.155 1 1 1650 . 2 2 2 B 8 8 TRP H H 338 8.472 8.550 -0.078 1 1 1651 . 2 2 2 B 8 8 TRP HA H 338 4.174 4.900 -0.726 1 1 1660 . 2 2 2 B 8 8 TRP C C 338 175.959 176.312 -0.353 1 1 1661 . 2 2 2 B 8 8 TRP CA C 338 87.020 57.282 29.738 1 1 1662 . 2 2 2 B 8 8 TRP CB C 338 61.223 29.988 31.235 1 1 1668 . 2 2 2 B 8 8 TRP N N 338 150.172 123.871 26.301 1 1 1670 . 2 2 2 B 9 9 THR H H 339 7.994 8.524 -0.530 1 1 1671 . 2 2 2 B 9 9 THR HA H 339 4.533 4.666 -0.133 1 1 1676 . 2 2 2 B 9 9 THR C C 339 174.035 174.043 -0.008 1 1 1677 . 2 2 2 B 9 9 THR CA C 339 92.659 60.952 31.707 1 1 1678 . 2 2 2 B 9 9 THR CB C 339 99.436 70.812 28.624 1 1 1680 . 2 2 2 B 9 9 THR N N 339 149.503 115.200 34.303 1 1 1681 . 2 2 2 B 10 10 HIS H H 340 9.463 8.129 1.334 1 1 1682 . 2 2 2 B 10 10 HIS HA H 340 4.677 5.662 -0.985 1 1 1687 . 2 2 2 B 10 10 HIS C C 340 175.606 174.323 1.283 1 1 1688 . 2 2 2 B 10 10 HIS CA C 340 87.024 53.707 33.317 1 1 1689 . 2 2 2 B 10 10 HIS CB C 340 61.368 32.057 29.311 1 1 1692 . 2 2 2 B 10 10 HIS N N 340 159.135 119.045 40.090 1 1 1693 . 2 2 2 B 11 11 LEU H H 341 8.398 9.047 -0.649 1 1 1694 . 2 2 2 B 11 11 LEU HA H 341 4.848 5.008 -0.160 1 1 1704 . 2 2 2 B 11 11 LEU C C 341 175.919 175.605 0.314 1 1 1705 . 2 2 2 B 11 11 LEU CA C 341 83.684 53.690 29.994 1 1 1706 . 2 2 2 B 11 11 LEU CB C 341 73.601 42.920 30.681 1 1 1710 . 2 2 2 B 11 11 LEU N N 341 153.300 124.707 28.593 1 1 1711 . 2 2 2 B 12 12 SER H H 342 8.382 8.920 -0.538 1 1 1712 . 2 2 2 B 12 12 SER HA H 342 4.652 5.075 -0.423 1 1 1715 . 2 2 2 B 12 12 SER C C 342 174.263 175.125 -0.862 1 1 1716 . 2 2 2 B 12 12 SER CA C 342 86.841 57.680 29.161 1 1 1717 . 2 2 2 B 12 12 SER CB C 342 95.113 64.535 30.578 1 1 1718 . 2 2 2 B 12 12 SER N N 342 144.018 122.798 21.220 1 1 1719 . 2 2 2 B 13 13 SER H H 343 8.937 9.038 -0.101 1 1 1720 . 2 2 2 B 13 13 SER HA H 343 4.291 4.469 -0.178 1 1 1723 . 2 2 2 B 13 13 SER C C 343 174.652 175.050 -0.398 1 1 1724 . 2 2 2 B 13 13 SER CA C 343 89.546 60.143 29.403 1 1 1725 . 2 2 2 B 13 13 SER CB C 343 93.470 63.302 30.168 1 1 1726 . 2 2 2 B 13 13 SER N N 343 148.575 118.668 29.907 1 1 1727 . 2 2 2 B 14 14 LYS H H 344 8.250 8.270 -0.020 1 1 1728 . 2 2 2 B 14 14 LYS HA H 344 4.319 4.220 0.099 1 1 1737 . 2 2 2 B 14 14 LYS C C 344 176.699 177.620 -0.921 1 1 1738 . 2 2 2 B 14 14 LYS CA C 344 86.716 58.686 28.030 1 1 1739 . 2 2 2 B 14 14 LYS CB C 344 62.831 33.286 29.545 1 1 1743 . 2 2 2 B 14 14 LYS N N 344 151.908 121.354 30.554 1 1 1744 . 2 2 2 B 15 15 GLU H H 345 8.256 7.801 0.455 1 1 1745 . 2 2 2 B 15 15 GLU HA H 345 4.240 4.365 -0.125 1 1 1750 . 2 2 2 B 15 15 GLU C C 345 176.152 176.224 -0.072 1 1 1751 . 2 2 2 B 15 15 GLU CA C 345 87.152 56.722 30.430 1 1 1752 . 2 2 2 B 15 15 GLU CB C 345 60.176 30.039 30.137 1 1 1754 . 2 2 2 B 15 15 GLU N N 345 150.679 118.089 32.590 1 1 1755 . 2 2 2 B 16 16 VAL H H 346 7.762 7.325 0.437 1 1 1756 . 2 2 2 B 16 16 VAL HA H 346 4.161 4.177 -0.016 1 1 1764 . 2 2 2 B 16 16 VAL C C 346 174.646 175.926 -1.280 1 1 1765 . 2 2 2 B 16 16 VAL CA C 346 91.707 60.987 30.720 1 1 1766 . 2 2 2 B 16 16 VAL CB C 346 63.107 33.835 29.272 1 1 1769 . 2 2 2 B 16 16 VAL N N 346 146.718 117.227 29.491 1 1 9 . 3 1 1 A 2 2 MET H H 1 8.414 7.948 0.466 1 1 10 . 3 1 1 A 2 2 MET HA H 1 4.826 4.930 -0.104 1 1 18 . 3 1 1 A 2 2 MET CA C 1 53.382 52.410 0.972 1 1 19 . 3 1 1 A 2 2 MET CB C 1 32.478 32.844 -0.366 1 1 22 . 3 1 1 A 2 2 MET N N 1 122.882 117.746 5.136 1 1 23 . 3 1 1 A 3 3 PRO HA H 2 4.425 4.507 -0.082 1 1 30 . 3 1 1 A 3 3 PRO C C 2 176.847 176.604 0.243 1 1 31 . 3 1 1 A 3 3 PRO CA C 2 63.386 64.609 -1.223 1 1 32 . 3 1 1 A 3 3 PRO CB C 2 32.077 32.152 -0.075 1 1 35 . 3 1 1 A 4 4 SER H H 3 8.347 7.577 0.770 1 1 36 . 3 1 1 A 4 4 SER HA H 3 4.391 4.684 -0.293 1 1 39 . 3 1 1 A 4 4 SER C C 3 174.643 171.815 2.828 1 1 40 . 3 1 1 A 4 4 SER CA C 3 58.336 57.513 0.823 1 1 41 . 3 1 1 A 4 4 SER CB C 3 63.798 65.309 -1.511 1 1 42 . 3 1 1 A 4 4 SER N N 3 115.234 112.019 3.215 1 1 43 . 3 1 1 A 5 5 GLU H H 4 8.472 8.937 -0.465 1 1 44 . 3 1 1 A 5 5 GLU HA H 4 4.297 5.106 -0.809 1 1 49 . 3 1 1 A 5 5 GLU C C 4 176.352 175.565 0.787 1 1 50 . 3 1 1 A 5 5 GLU CA C 4 56.572 54.450 2.122 1 1 51 . 3 1 1 A 5 5 GLU CB C 4 30.285 32.887 -2.602 1 1 53 . 3 1 1 A 5 5 GLU N N 4 123.045 126.673 -3.628 1 1 54 . 3 1 1 A 6 6 LYS H H 5 8.214 8.321 -0.107 1 1 55 . 3 1 1 A 6 6 LYS HA H 5 4.500 4.336 0.164 1 1 64 . 3 1 1 A 6 6 LYS C C 5 177.243 175.731 1.512 1 1 65 . 3 1 1 A 6 6 LYS CA C 5 55.943 56.562 -0.619 1 1 66 . 3 1 1 A 6 6 LYS CB C 5 34.621 33.529 1.092 1 1 70 . 3 1 1 A 6 6 LYS N N 5 121.467 126.183 -4.716 1 1 71 . 3 1 1 A 7 7 THR H H 6 8.431 8.196 0.235 1 1 72 . 3 1 1 A 7 7 THR HA H 6 4.383 4.809 -0.426 1 1 77 . 3 1 1 A 7 7 THR C C 6 175.360 175.452 -0.092 1 1 78 . 3 1 1 A 7 7 THR CA C 6 61.124 58.878 2.246 1 1 79 . 3 1 1 A 7 7 THR CB C 6 69.863 70.842 -0.979 1 1 81 . 3 1 1 A 7 7 THR N N 6 114.691 114.389 0.302 1 1 82 . 3 1 1 A 8 8 PHE H H 7 10.194 9.439 0.755 1 1 83 . 3 1 1 A 8 8 PHE HA H 7 3.904 4.262 -0.358 1 1 88 . 3 1 1 A 8 8 PHE C C 7 177.000 177.695 -0.695 1 1 89 . 3 1 1 A 8 8 PHE CA C 7 63.388 60.615 2.773 1 1 90 . 3 1 1 A 8 8 PHE CB C 7 39.586 38.827 0.759 1 1 92 . 3 1 1 A 8 8 PHE N N 7 124.861 127.729 -2.868 1 1 93 . 3 1 1 A 9 9 LYS H H 8 8.707 8.340 0.367 1 1 94 . 3 1 1 A 9 9 LYS HA H 8 3.761 4.167 -0.406 1 1 103 . 3 1 1 A 9 9 LYS C C 8 177.496 178.767 -1.271 1 1 104 . 3 1 1 A 9 9 LYS CA C 8 59.945 59.081 0.864 1 1 105 . 3 1 1 A 9 9 LYS CB C 8 33.870 32.081 1.789 1 1 109 . 3 1 1 A 9 9 LYS N N 8 114.189 117.295 -3.106 1 1 110 . 3 1 1 A 10 10 GLN H H 9 7.284 8.303 -1.019 1 1 111 . 3 1 1 A 10 10 GLN HA H 9 4.113 4.254 -0.141 1 1 118 . 3 1 1 A 10 10 GLN C C 9 177.416 178.312 -0.896 1 1 119 . 3 1 1 A 10 10 GLN CA C 9 56.743 57.975 -1.232 1 1 120 . 3 1 1 A 10 10 GLN CB C 9 30.002 29.117 0.885 1 1 123 . 3 1 1 A 10 10 GLN N N 9 112.843 119.058 -6.215 1 1 125 . 3 1 1 A 11 11 ARG H H 10 7.889 8.534 -0.645 1 1 126 . 3 1 1 A 11 11 ARG HA H 10 4.255 3.977 0.278 1 1 133 . 3 1 1 A 11 11 ARG C C 10 175.059 176.969 -1.910 1 1 134 . 3 1 1 A 11 11 ARG CA C 10 57.018 59.635 -2.617 1 1 135 . 3 1 1 A 11 11 ARG CB C 10 31.628 30.291 1.337 1 1 138 . 3 1 1 A 11 11 ARG N N 10 117.567 120.913 -3.346 1 1 139 . 3 1 1 A 12 12 ARG H H 11 7.443 8.001 -0.558 1 1 140 . 3 1 1 A 12 12 ARG HA H 11 4.493 4.346 0.147 1 1 147 . 3 1 1 A 12 12 ARG CA C 11 54.172 56.635 -2.463 1 1 148 . 3 1 1 A 12 12 ARG CB C 11 32.857 30.753 2.104 1 1 151 . 3 1 1 A 12 12 ARG N N 11 122.786 120.672 2.114 1 1 152 . 3 1 1 A 13 13 SER HA H 12 4.403 4.479 -0.076 1 1 155 . 3 1 1 A 13 13 SER C C 12 174.222 175.655 -1.433 1 1 156 . 3 1 1 A 13 13 SER CA C 12 58.274 58.512 -0.238 1 1 157 . 3 1 1 A 13 13 SER CB C 12 64.821 64.145 0.676 1 1 158 . 3 1 1 A 14 14 PHE H H 13 9.239 9.281 -0.042 1 1 159 . 3 1 1 A 14 14 PHE HA H 13 4.035 4.175 -0.140 1 1 165 . 3 1 1 A 14 14 PHE C C 13 176.023 177.095 -1.072 1 1 166 . 3 1 1 A 14 14 PHE CA C 13 62.790 62.449 0.341 1 1 167 . 3 1 1 A 14 14 PHE CB C 13 39.580 39.935 -0.355 1 1 169 . 3 1 1 A 14 14 PHE N N 13 123.729 128.984 -5.255 1 1 170 . 3 1 1 A 15 15 GLU H H 14 9.093 8.499 0.594 1 1 171 . 3 1 1 A 15 15 GLU HA H 14 3.813 3.829 -0.016 1 1 176 . 3 1 1 A 15 15 GLU C C 14 179.549 179.508 0.041 1 1 177 . 3 1 1 A 15 15 GLU CA C 14 60.444 60.107 0.337 1 1 178 . 3 1 1 A 15 15 GLU CB C 14 28.804 29.205 -0.401 1 1 180 . 3 1 1 A 15 15 GLU N N 14 115.336 117.534 -2.198 1 1 181 . 3 1 1 A 16 16 GLN H H 15 7.752 8.066 -0.314 1 1 182 . 3 1 1 A 16 16 GLN HA H 15 4.044 4.142 -0.098 1 1 189 . 3 1 1 A 16 16 GLN C C 15 177.931 178.395 -0.464 1 1 190 . 3 1 1 A 16 16 GLN CA C 15 58.486 58.764 -0.278 1 1 191 . 3 1 1 A 16 16 GLN CB C 15 29.393 28.321 1.072 1 1 194 . 3 1 1 A 16 16 GLN N N 15 119.145 119.126 0.019 1 1 196 . 3 1 1 A 17 17 ARG H H 16 8.577 8.101 0.476 1 1 197 . 3 1 1 A 17 17 ARG HA H 16 4.280 4.233 0.047 1 1 202 . 3 1 1 A 17 17 ARG C C 16 177.128 178.673 -1.545 1 1 203 . 3 1 1 A 17 17 ARG CA C 16 61.442 58.946 2.496 1 1 204 . 3 1 1 A 17 17 ARG N N 16 121.288 120.692 0.596 1 1 205 . 3 1 1 A 18 18 VAL H H 17 8.329 8.316 0.013 1 1 206 . 3 1 1 A 18 18 VAL HA H 17 3.938 3.661 0.277 1 1 214 . 3 1 1 A 18 18 VAL C C 17 179.744 178.607 1.137 1 1 215 . 3 1 1 A 18 18 VAL CA C 17 65.441 65.985 -0.544 1 1 216 . 3 1 1 A 18 18 VAL CB C 17 32.080 31.540 0.540 1 1 219 . 3 1 1 A 18 18 VAL N N 17 116.752 119.767 -3.015 1 1 220 . 3 1 1 A 19 19 GLU H H 18 7.445 7.755 -0.310 1 1 221 . 3 1 1 A 19 19 GLU HA H 18 4.270 4.011 0.259 1 1 226 . 3 1 1 A 19 19 GLU C C 18 177.625 178.215 -0.590 1 1 227 . 3 1 1 A 19 19 GLU CA C 18 58.637 58.839 -0.202 1 1 228 . 3 1 1 A 19 19 GLU CB C 18 29.398 29.404 -0.006 1 1 230 . 3 1 1 A 19 19 GLU N N 18 120.323 120.263 0.060 1 1 231 . 3 1 1 A 20 20 ASP H H 19 8.690 8.192 0.498 1 1 232 . 3 1 1 A 20 20 ASP HA H 19 4.514 4.429 0.085 1 1 235 . 3 1 1 A 20 20 ASP C C 19 179.877 178.029 1.848 1 1 236 . 3 1 1 A 20 20 ASP CA C 19 57.224 56.796 0.428 1 1 237 . 3 1 1 A 20 20 ASP CB C 19 41.487 41.896 -0.409 1 1 238 . 3 1 1 A 20 20 ASP N N 19 120.313 120.819 -0.506 1 1 239 . 3 1 1 A 21 21 VAL H H 20 7.731 7.825 -0.094 1 1 240 . 3 1 1 A 21 21 VAL HA H 20 3.394 3.526 -0.132 1 1 248 . 3 1 1 A 21 21 VAL C C 20 176.989 177.540 -0.551 1 1 249 . 3 1 1 A 21 21 VAL CA C 20 65.989 65.802 0.187 1 1 250 . 3 1 1 A 21 21 VAL CB C 20 31.291 31.773 -0.482 1 1 253 . 3 1 1 A 21 21 VAL N N 20 119.119 119.012 0.107 1 1 254 . 3 1 1 A 22 22 ARG H H 21 8.313 7.858 0.455 1 1 255 . 3 1 1 A 22 22 ARG HA H 21 3.825 3.959 -0.134 1 1 263 . 3 1 1 A 22 22 ARG C C 21 180.178 178.643 1.535 1 1 264 . 3 1 1 A 22 22 ARG CA C 21 59.821 59.310 0.511 1 1 265 . 3 1 1 A 22 22 ARG CB C 21 30.164 29.963 0.201 1 1 269 . 3 1 1 A 22 22 ARG N N 21 120.772 120.470 0.302 1 1 271 . 3 1 1 A 23 23 LEU H H 22 8.306 7.470 0.836 1 1 272 . 3 1 1 A 23 23 LEU HA H 22 4.076 3.925 0.151 1 1 282 . 3 1 1 A 23 23 LEU C C 22 180.221 179.156 1.065 1 1 283 . 3 1 1 A 23 23 LEU CA C 22 57.541 58.142 -0.601 1 1 284 . 3 1 1 A 23 23 LEU CB C 22 42.300 41.626 0.674 1 1 288 . 3 1 1 A 23 23 LEU N N 22 116.413 119.233 -2.820 1 1 289 . 3 1 1 A 24 24 ILE H H 23 7.864 8.159 -0.295 1 1 290 . 3 1 1 A 24 24 ILE HA H 23 4.090 3.874 0.216 1 1 300 . 3 1 1 A 24 24 ILE C C 23 177.922 178.435 -0.513 1 1 301 . 3 1 1 A 24 24 ILE CA C 23 60.190 64.429 -4.239 1 1 302 . 3 1 1 A 24 24 ILE CB C 23 38.072 37.458 0.614 1 1 306 . 3 1 1 A 24 24 ILE N N 23 121.259 118.658 2.601 1 1 307 . 3 1 1 A 25 25 ARG H H 24 8.339 8.116 0.223 1 1 308 . 3 1 1 A 25 25 ARG HA H 24 3.973 4.043 -0.070 1 1 316 . 3 1 1 A 25 25 ARG C C 24 178.479 178.014 0.465 1 1 317 . 3 1 1 A 25 25 ARG CA C 24 57.337 59.341 -2.004 1 1 318 . 3 1 1 A 25 25 ARG CB C 24 28.663 30.212 -1.549 1 1 322 . 3 1 1 A 25 25 ARG N N 24 121.816 121.655 0.161 1 1 324 . 3 1 1 A 26 26 GLU H H 25 7.133 8.457 -1.324 1 1 325 . 3 1 1 A 26 26 GLU HA H 25 4.052 4.157 -0.105 1 1 330 . 3 1 1 A 26 26 GLU C C 25 178.158 176.494 1.664 1 1 331 . 3 1 1 A 26 26 GLU CA C 25 58.367 57.492 0.875 1 1 332 . 3 1 1 A 26 26 GLU CB C 25 29.903 29.578 0.325 1 1 334 . 3 1 1 A 26 26 GLU N N 25 116.794 117.888 -1.094 1 1 335 . 3 1 1 A 27 27 GLN H H 26 7.283 8.085 -0.802 1 1 336 . 3 1 1 A 27 27 GLN HA H 26 3.888 4.343 -0.455 1 1 343 . 3 1 1 A 27 27 GLN C C 26 176.088 175.845 0.243 1 1 344 . 3 1 1 A 27 27 GLN CA C 26 57.676 57.048 0.628 1 1 345 . 3 1 1 A 27 27 GLN CB C 26 30.382 31.278 -0.896 1 1 348 . 3 1 1 A 27 27 GLN N N 26 116.373 117.547 -1.174 1 1 350 . 3 1 1 A 28 28 HIS H H 27 8.223 8.560 -0.337 1 1 351 . 3 1 1 A 28 28 HIS HA H 27 4.941 5.047 -0.106 1 1 356 . 3 1 1 A 28 28 HIS CA C 27 53.278 53.147 0.131 1 1 357 . 3 1 1 A 28 28 HIS CB C 27 30.933 29.764 1.169 1 1 360 . 3 1 1 A 28 28 HIS N N 27 115.408 116.321 -0.913 1 1 361 . 3 1 1 A 29 29 PRO HA H 28 4.562 4.348 0.214 1 1 368 . 3 1 1 A 29 29 PRO C C 28 178.046 177.544 0.502 1 1 369 . 3 1 1 A 29 29 PRO CA C 28 64.821 64.582 0.239 1 1 370 . 3 1 1 A 29 29 PRO CB C 28 32.447 32.011 0.436 1 1 373 . 3 1 1 A 30 30 THR H H 29 7.820 7.783 0.037 1 1 374 . 3 1 1 A 30 30 THR HA H 29 4.583 4.341 0.242 1 1 379 . 3 1 1 A 30 30 THR C C 29 172.723 173.337 -0.614 1 1 380 . 3 1 1 A 30 30 THR CA C 29 60.826 61.475 -0.649 1 1 381 . 3 1 1 A 30 30 THR CB C 29 68.641 68.761 -0.120 1 1 383 . 3 1 1 A 30 30 THR N N 29 106.682 107.808 -1.126 1 1 384 . 3 1 1 A 31 31 LYS H H 30 7.453 7.535 -0.082 1 1 385 . 3 1 1 A 31 31 LYS HA H 30 4.850 5.086 -0.236 1 1 394 . 3 1 1 A 31 31 LYS C C 30 174.296 174.708 -0.412 1 1 395 . 3 1 1 A 31 31 LYS CA C 30 53.944 54.687 -0.743 1 1 396 . 3 1 1 A 31 31 LYS CB C 30 36.098 36.812 -0.714 1 1 400 . 3 1 1 A 31 31 LYS N N 30 117.809 120.510 -2.701 1 1 401 . 3 1 1 A 32 32 ILE H H 31 9.265 9.436 -0.171 1 1 402 . 3 1 1 A 32 32 ILE HA H 31 4.106 4.284 -0.178 1 1 412 . 3 1 1 A 32 32 ILE CA C 31 54.606 57.604 -2.998 1 1 413 . 3 1 1 A 32 32 ILE CB C 31 38.448 38.686 -0.238 1 1 417 . 3 1 1 A 32 32 ILE N N 31 122.497 122.958 -0.461 1 1 418 . 3 1 1 A 33 33 PRO HA H 32 5.252 4.912 0.340 1 1 425 . 3 1 1 A 33 33 PRO C C 32 174.652 176.789 -2.137 1 1 426 . 3 1 1 A 33 33 PRO CA C 32 61.704 62.571 -0.867 1 1 427 . 3 1 1 A 33 33 PRO CB C 32 31.873 31.584 0.289 1 1 430 . 3 1 1 A 34 34 VAL H H 33 9.359 8.740 0.619 1 1 431 . 3 1 1 A 34 34 VAL HA H 33 5.298 5.181 0.117 1 1 439 . 3 1 1 A 34 34 VAL C C 33 173.633 174.690 -1.057 1 1 440 . 3 1 1 A 34 34 VAL CA C 33 59.830 59.324 0.506 1 1 441 . 3 1 1 A 34 34 VAL CB C 33 36.154 36.157 -0.003 1 1 444 . 3 1 1 A 34 34 VAL N N 33 124.496 116.665 7.831 1 1 445 . 3 1 1 A 35 35 ILE H H 34 8.667 9.193 -0.526 1 1 446 . 3 1 1 A 35 35 ILE HA H 34 4.867 4.872 -0.005 1 1 456 . 3 1 1 A 35 35 ILE C C 34 175.770 174.964 0.806 1 1 457 . 3 1 1 A 35 35 ILE CA C 34 56.320 60.106 -3.786 1 1 458 . 3 1 1 A 35 35 ILE CB C 34 36.909 39.119 -2.210 1 1 462 . 3 1 1 A 35 35 ILE N N 34 127.447 122.645 4.802 1 1 463 . 3 1 1 A 36 36 ILE H H 35 8.422 9.015 -0.593 1 1 464 . 3 1 1 A 36 36 ILE HA H 35 4.890 4.689 0.201 1 1 474 . 3 1 1 A 36 36 ILE C C 35 175.098 175.863 -0.765 1 1 475 . 3 1 1 A 36 36 ILE CA C 35 60.806 60.946 -0.140 1 1 476 . 3 1 1 A 36 36 ILE CB C 35 39.357 37.433 1.924 1 1 480 . 3 1 1 A 36 36 ILE N N 35 124.267 128.966 -4.699 1 1 481 . 3 1 1 A 37 37 GLU H H 36 8.335 8.867 -0.532 1 1 482 . 3 1 1 A 37 37 GLU HA H 36 4.820 4.848 -0.028 1 1 487 . 3 1 1 A 37 37 GLU C C 36 173.502 175.773 -2.271 1 1 488 . 3 1 1 A 37 37 GLU CA C 36 54.214 54.205 0.009 1 1 489 . 3 1 1 A 37 37 GLU CB C 36 35.547 33.201 2.346 1 1 491 . 3 1 1 A 37 37 GLU N N 36 123.296 126.336 -3.040 1 1 492 . 3 1 1 A 38 38 ARG H H 37 8.891 8.172 0.719 1 1 493 . 3 1 1 A 38 38 ARG HA H 37 2.755 3.490 -0.735 1 1 501 . 3 1 1 A 38 38 ARG C C 37 176.165 175.403 0.762 1 1 502 . 3 1 1 A 38 38 ARG CA C 37 56.235 55.999 0.236 1 1 503 . 3 1 1 A 38 38 ARG CB C 37 31.328 30.212 1.116 1 1 507 . 3 1 1 A 38 38 ARG N N 37 123.143 121.888 1.255 1 1 509 . 3 1 1 A 39 39 TYR H H 38 8.681 7.975 0.706 1 1 510 . 3 1 1 A 39 39 TYR HA H 38 4.331 4.438 -0.107 1 1 517 . 3 1 1 A 39 39 TYR C C 38 177.064 175.205 1.859 1 1 518 . 3 1 1 A 39 39 TYR CA C 38 57.769 58.803 -1.034 1 1 519 . 3 1 1 A 39 39 TYR CB C 38 39.552 39.021 0.531 1 1 522 . 3 1 1 A 39 39 TYR N N 38 128.699 122.945 5.754 1 1 523 . 3 1 1 A 40 40 LYS H H 39 8.454 7.902 0.552 1 1 524 . 3 1 1 A 40 40 LYS HA H 39 3.841 3.918 -0.077 1 1 533 . 3 1 1 A 40 40 LYS C C 39 176.290 176.599 -0.309 1 1 534 . 3 1 1 A 40 40 LYS CA C 39 58.772 56.652 2.120 1 1 535 . 3 1 1 A 40 40 LYS CB C 39 31.738 31.545 0.193 1 1 539 . 3 1 1 A 40 40 LYS N N 39 130.022 123.494 6.528 1 1 540 . 3 1 1 A 41 41 GLY H H 40 5.457 8.961 -3.504 1 1 541 . 3 1 1 A 41 41 GLY HA2 H 40 3.306 3.979 -0.673 1 1 542 . 3 1 1 A 41 41 GLY HA3 H 40 3.999 4.039 -0.040 1 1 543 . 3 1 1 A 41 41 GLY C C 40 173.426 174.105 -0.679 1 1 544 . 3 1 1 A 41 41 GLY CA C 40 44.673 45.477 -0.804 1 1 545 . 3 1 1 A 41 41 GLY N N 40 104.628 113.000 -8.372 1 1 546 . 3 1 1 A 42 42 GLU H H 41 7.440 8.296 -0.856 1 1 547 . 3 1 1 A 42 42 GLU HA H 41 4.278 4.649 -0.371 1 1 552 . 3 1 1 A 42 42 GLU C C 41 176.306 176.364 -0.058 1 1 553 . 3 1 1 A 42 42 GLU CA C 41 56.358 55.521 0.837 1 1 554 . 3 1 1 A 42 42 GLU CB C 41 31.014 30.469 0.545 1 1 556 . 3 1 1 A 42 42 GLU N N 41 122.648 120.651 1.997 1 1 557 . 3 1 1 A 43 43 LYS H H 42 8.912 8.428 0.484 1 1 558 . 3 1 1 A 43 43 LYS HA H 42 4.680 4.588 0.092 1 1 567 . 3 1 1 A 43 43 LYS C C 42 177.063 178.248 -1.185 1 1 568 . 3 1 1 A 43 43 LYS CA C 42 55.652 56.756 -1.104 1 1 569 . 3 1 1 A 43 43 LYS CB C 42 34.871 34.106 0.765 1 1 573 . 3 1 1 A 43 43 LYS N N 42 123.569 123.260 0.309 1 1 574 . 3 1 1 A 44 44 GLN H H 43 8.446 8.076 0.370 1 1 575 . 3 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1 1 582 . 3 1 1 A 44 44 GLN C C 43 177.152 177.012 0.140 1 1 583 . 3 1 1 A 44 44 GLN CA C 43 57.561 59.126 -1.565 1 1 584 . 3 1 1 A 44 44 GLN CB C 43 30.671 28.675 1.996 1 1 587 . 3 1 1 A 44 44 GLN N N 43 118.990 118.703 0.287 1 1 589 . 3 1 1 A 45 45 LEU H H 44 9.043 8.054 0.989 1 1 590 . 3 1 1 A 45 45 LEU HA H 44 4.716 4.482 0.234 1 1 600 . 3 1 1 A 45 45 LEU CA C 44 53.078 53.880 -0.802 1 1 601 . 3 1 1 A 45 45 LEU CB C 44 43.614 41.165 2.449 1 1 605 . 3 1 1 A 45 45 LEU N N 44 120.375 120.175 0.200 1 1 606 . 3 1 1 A 46 46 PRO HA H 45 4.723 4.654 0.069 1 1 613 . 3 1 1 A 46 46 PRO C C 45 175.883 176.058 -0.175 1 1 614 . 3 1 1 A 46 46 PRO CA C 45 62.005 62.251 -0.246 1 1 615 . 3 1 1 A 46 46 PRO CB C 45 32.609 32.394 0.215 1 1 618 . 3 1 1 A 47 47 VAL H H 46 8.437 8.561 -0.124 1 1 619 . 3 1 1 A 47 47 VAL HA H 46 3.914 4.601 -0.687 1 1 627 . 3 1 1 A 47 47 VAL C C 46 175.367 176.122 -0.755 1 1 628 . 3 1 1 A 47 47 VAL CA C 46 62.700 61.660 1.040 1 1 629 . 3 1 1 A 47 47 VAL CB C 46 32.927 32.057 0.870 1 1 632 . 3 1 1 A 47 47 VAL N N 46 118.440 121.431 -2.991 1 1 633 . 3 1 1 A 48 48 LEU H H 47 7.863 8.895 -1.032 1 1 634 . 3 1 1 A 48 48 LEU HA H 47 4.384 4.127 0.257 1 1 644 . 3 1 1 A 48 48 LEU C C 47 176.088 177.846 -1.758 1 1 645 . 3 1 1 A 48 48 LEU CA C 47 54.851 56.033 -1.182 1 1 646 . 3 1 1 A 48 48 LEU CB C 47 43.841 44.102 -0.261 1 1 650 . 3 1 1 A 48 48 LEU N N 47 129.127 129.387 -0.260 1 1 651 . 3 1 1 A 49 49 ASP H H 48 8.699 8.853 -0.154 1 1 652 . 3 1 1 A 49 49 ASP HA H 48 4.293 4.346 -0.053 1 1 655 . 3 1 1 A 49 49 ASP C C 48 175.121 175.736 -0.615 1 1 656 . 3 1 1 A 49 49 ASP CA C 48 55.717 57.618 -1.901 1 1 657 . 3 1 1 A 49 49 ASP CB C 48 40.260 40.894 -0.634 1 1 658 . 3 1 1 A 49 49 ASP N N 48 121.389 125.691 -4.302 1 1 659 . 3 1 1 A 50 50 LYS H H 49 7.251 7.401 -0.150 1 1 660 . 3 1 1 A 50 50 LYS HA H 49 4.540 4.521 0.019 1 1 669 . 3 1 1 A 50 50 LYS C C 49 174.664 175.285 -0.621 1 1 670 . 3 1 1 A 50 50 LYS CA C 49 53.211 55.178 -1.967 1 1 671 . 3 1 1 A 50 50 LYS CB C 49 35.514 33.861 1.653 1 1 675 . 3 1 1 A 50 50 LYS N N 49 118.260 112.974 5.286 1 1 676 . 3 1 1 A 51 51 THR H H 50 8.162 8.113 0.049 1 1 677 . 3 1 1 A 51 51 THR HA H 50 4.685 4.760 -0.075 1 1 682 . 3 1 1 A 51 51 THR C C 50 171.631 174.663 -3.032 1 1 683 . 3 1 1 A 51 51 THR CA C 50 63.581 62.828 0.753 1 1 684 . 3 1 1 A 51 51 THR CB C 50 71.587 70.050 1.537 1 1 686 . 3 1 1 A 51 51 THR N N 50 112.535 113.059 -0.524 1 1 687 . 3 1 1 A 52 52 LYS H H 51 6.971 7.540 -0.569 1 1 688 . 3 1 1 A 52 52 LYS HA H 51 4.443 4.683 -0.240 1 1 697 . 3 1 1 A 52 52 LYS C C 51 175.417 175.732 -0.315 1 1 698 . 3 1 1 A 52 52 LYS CA C 51 55.209 55.846 -0.637 1 1 699 . 3 1 1 A 52 52 LYS CB C 51 33.309 33.651 -0.342 1 1 703 . 3 1 1 A 52 52 LYS N N 51 120.227 119.841 0.386 1 1 704 . 3 1 1 A 53 53 PHE H H 52 9.688 8.826 0.862 1 1 705 . 3 1 1 A 53 53 PHE HA H 52 5.675 5.005 0.670 1 1 712 . 3 1 1 A 53 53 PHE C C 52 174.348 174.780 -0.432 1 1 713 . 3 1 1 A 53 53 PHE CA C 52 56.625 56.719 -0.094 1 1 714 . 3 1 1 A 53 53 PHE CB C 52 43.109 42.870 0.239 1 1 716 . 3 1 1 A 53 53 PHE N N 52 124.646 121.842 2.804 1 1 717 . 3 1 1 A 54 54 LEU H H 53 8.470 9.039 -0.569 1 1 718 . 3 1 1 A 54 54 LEU HA H 53 5.044 4.966 0.078 1 1 728 . 3 1 1 A 54 54 LEU C C 53 176.144 175.293 0.851 1 1 729 . 3 1 1 A 54 54 LEU CA C 53 52.954 53.604 -0.650 1 1 730 . 3 1 1 A 54 54 LEU CB C 53 45.081 41.981 3.100 1 1 734 . 3 1 1 A 54 54 LEU N N 53 119.430 124.397 -4.967 1 1 735 . 3 1 1 A 55 55 VAL H H 54 8.802 8.617 0.185 1 1 736 . 3 1 1 A 55 55 VAL HA H 54 4.640 4.868 -0.228 1 1 744 . 3 1 1 A 55 55 VAL CA C 54 58.549 58.752 -0.203 1 1 745 . 3 1 1 A 55 55 VAL CB C 54 35.342 33.874 1.468 1 1 748 . 3 1 1 A 55 55 VAL N N 54 123.841 125.349 -1.508 1 1 749 . 3 1 1 A 56 56 PRO HA H 55 4.439 4.726 -0.287 1 1 756 . 3 1 1 A 56 56 PRO C C 55 176.666 176.421 0.245 1 1 757 . 3 1 1 A 56 56 PRO CA C 55 64.256 62.621 1.635 1 1 758 . 3 1 1 A 56 56 PRO CB C 55 32.783 32.380 0.403 1 1 761 . 3 1 1 A 57 57 ASP H H 56 8.412 7.993 0.419 1 1 762 . 3 1 1 A 57 57 ASP HA H 56 3.848 4.624 -0.776 1 1 765 . 3 1 1 A 57 57 ASP C C 56 175.417 176.649 -1.232 1 1 766 . 3 1 1 A 57 57 ASP CA C 56 56.616 53.795 2.821 1 1 767 . 3 1 1 A 57 57 ASP CB C 56 40.410 40.324 0.086 1 1 768 . 3 1 1 A 57 57 ASP N N 56 120.415 122.055 -1.640 1 1 769 . 3 1 1 A 58 58 HIS H H 57 7.373 7.922 -0.549 1 1 770 . 3 1 1 A 58 58 HIS HA H 57 4.770 4.861 -0.091 1 1 775 . 3 1 1 A 58 58 HIS C C 57 176.594 174.152 2.442 1 1 776 . 3 1 1 A 58 58 HIS CA C 57 55.584 55.180 0.404 1 1 777 . 3 1 1 A 58 58 HIS CB C 57 30.628 31.247 -0.619 1 1 780 . 3 1 1 A 58 58 HIS N N 57 113.439 114.179 -0.740 1 1 781 . 3 1 1 A 59 59 VAL H H 58 7.249 7.673 -0.424 1 1 782 . 3 1 1 A 59 59 VAL HA H 58 3.903 4.737 -0.834 1 1 790 . 3 1 1 A 59 59 VAL C C 58 175.014 173.837 1.177 1 1 791 . 3 1 1 A 59 59 VAL CA C 58 62.726 58.922 3.804 1 1 792 . 3 1 1 A 59 59 VAL CB C 58 32.190 36.238 -4.048 1 1 795 . 3 1 1 A 59 59 VAL N N 58 122.597 115.963 6.634 1 1 796 . 3 1 1 A 60 60 ASN H H 59 8.677 8.383 0.294 1 1 797 . 3 1 1 A 60 60 ASN HA H 59 5.187 5.163 0.024 1 1 802 . 3 1 1 A 60 60 ASN C C 59 176.477 177.019 -0.542 1 1 803 . 3 1 1 A 60 60 ASN CA C 59 51.181 51.375 -0.194 1 1 804 . 3 1 1 A 60 60 ASN CB C 59 39.947 40.893 -0.946 1 1 806 . 3 1 1 A 60 60 ASN N N 59 122.962 119.163 3.799 1 1 808 . 3 1 1 A 61 61 MET H H 60 8.038 8.722 -0.684 1 1 809 . 3 1 1 A 61 61 MET HA H 60 4.426 4.192 0.234 1 1 817 . 3 1 1 A 61 61 MET C C 60 177.996 178.457 -0.461 1 1 818 . 3 1 1 A 61 61 MET CA C 60 57.118 58.262 -1.144 1 1 819 . 3 1 1 A 61 61 MET CB C 60 29.998 31.923 -1.925 1 1 822 . 3 1 1 A 61 61 MET N N 60 116.814 120.936 -4.122 1 1 823 . 3 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1 1 824 . 3 1 1 A 62 62 SER HA H 61 4.132 4.118 0.014 1 1 827 . 3 1 1 A 62 62 SER C C 61 177.255 177.125 0.130 1 1 828 . 3 1 1 A 62 62 SER CA C 61 61.559 61.435 0.124 1 1 829 . 3 1 1 A 62 62 SER CB C 61 62.430 63.059 -0.629 1 1 830 . 3 1 1 A 62 62 SER N N 61 114.109 116.010 -1.901 1 1 831 . 3 1 1 A 63 63 GLU H H 62 8.014 8.150 -0.136 1 1 832 . 3 1 1 A 63 63 GLU HA H 62 4.016 3.994 0.022 1 1 837 . 3 1 1 A 63 63 GLU C C 62 178.327 178.803 -0.476 1 1 838 . 3 1 1 A 63 63 GLU CA C 62 58.787 59.352 -0.565 1 1 839 . 3 1 1 A 63 63 GLU CB C 62 29.814 29.394 0.420 1 1 841 . 3 1 1 A 63 63 GLU N N 62 122.806 121.422 1.384 1 1 842 . 3 1 1 A 64 64 LEU H H 63 8.254 8.212 0.042 1 1 843 . 3 1 1 A 64 64 LEU HA H 63 3.932 3.981 -0.049 1 1 853 . 3 1 1 A 64 64 LEU C C 63 178.029 178.548 -0.519 1 1 854 . 3 1 1 A 64 64 LEU CA C 63 57.986 58.190 -0.204 1 1 855 . 3 1 1 A 64 64 LEU CB C 63 41.377 41.903 -0.526 1 1 859 . 3 1 1 A 64 64 LEU N N 63 120.526 121.739 -1.213 1 1 860 . 3 1 1 A 65 65 ILE H H 64 8.415 8.458 -0.043 1 1 861 . 3 1 1 A 65 65 ILE HA H 64 3.377 3.652 -0.275 1 1 871 . 3 1 1 A 65 65 ILE C C 64 177.078 178.058 -0.980 1 1 872 . 3 1 1 A 65 65 ILE CA C 64 66.699 65.868 0.831 1 1 873 . 3 1 1 A 65 65 ILE CB C 64 38.128 38.209 -0.081 1 1 877 . 3 1 1 A 65 65 ILE N N 64 118.349 119.936 -1.587 1 1 878 . 3 1 1 A 66 66 LYS H H 65 7.366 7.953 -0.587 1 1 879 . 3 1 1 A 66 66 LYS HA H 65 3.696 4.131 -0.435 1 1 888 . 3 1 1 A 66 66 LYS C C 65 179.260 178.598 0.662 1 1 889 . 3 1 1 A 66 66 LYS CA C 65 60.593 58.425 2.168 1 1 890 . 3 1 1 A 66 66 LYS CB C 65 32.421 32.197 0.224 1 1 894 . 3 1 1 A 66 66 LYS N N 65 118.334 118.740 -0.406 1 1 895 . 3 1 1 A 67 67 ILE H H 66 8.179 7.574 0.605 1 1 896 . 3 1 1 A 67 67 ILE HA H 66 3.546 3.919 -0.373 1 1 906 . 3 1 1 A 67 67 ILE C C 66 178.784 178.299 0.485 1 1 907 . 3 1 1 A 67 67 ILE CA C 66 65.488 64.266 1.222 1 1 908 . 3 1 1 A 67 67 ILE CB C 66 38.593 37.660 0.933 1 1 912 . 3 1 1 A 67 67 ILE N N 66 119.791 118.652 1.139 1 1 913 . 3 1 1 A 68 68 ILE H H 67 8.279 8.242 0.037 1 1 914 . 3 1 1 A 68 68 ILE HA H 67 3.391 3.306 0.085 1 1 924 . 3 1 1 A 68 68 ILE C C 67 177.403 177.734 -0.331 1 1 925 . 3 1 1 A 68 68 ILE CA C 67 63.144 65.135 -1.991 1 1 926 . 3 1 1 A 68 68 ILE CB C 67 35.269 37.378 -2.109 1 1 930 . 3 1 1 A 68 68 ILE N N 67 120.267 121.055 -0.788 1 1 931 . 3 1 1 A 69 69 ARG H H 68 8.454 8.480 -0.026 1 1 932 . 3 1 1 A 69 69 ARG HA H 68 2.966 3.265 -0.299 1 1 939 . 3 1 1 A 69 69 ARG C C 68 178.385 177.555 0.830 1 1 940 . 3 1 1 A 69 69 ARG CA C 68 60.642 57.864 2.778 1 1 941 . 3 1 1 A 69 69 ARG CB C 68 30.442 29.401 1.041 1 1 944 . 3 1 1 A 69 69 ARG N N 68 118.881 120.295 -1.414 1 1 945 . 3 1 1 A 70 70 ARG H H 69 7.492 7.970 -0.478 1 1 946 . 3 1 1 A 70 70 ARG HA H 69 4.164 4.095 0.069 1 1 954 . 3 1 1 A 70 70 ARG C C 69 180.253 178.532 1.721 1 1 955 . 3 1 1 A 70 70 ARG CA C 69 58.510 58.690 -0.180 1 1 956 . 3 1 1 A 70 70 ARG CB C 69 29.587 29.785 -0.198 1 1 960 . 3 1 1 A 70 70 ARG N N 69 116.411 118.388 -1.977 1 1 962 . 3 1 1 A 71 71 ARG H H 70 8.086 8.149 -0.063 1 1 963 . 3 1 1 A 71 71 ARG HA H 70 4.025 4.061 -0.036 1 1 970 . 3 1 1 A 71 71 ARG C C 70 178.558 177.928 0.630 1 1 971 . 3 1 1 A 71 71 ARG CA C 70 59.428 58.888 0.540 1 1 972 . 3 1 1 A 71 71 ARG CB C 70 30.235 30.568 -0.333 1 1 975 . 3 1 1 A 71 71 ARG N N 70 122.779 119.023 3.756 1 1 976 . 3 1 1 A 72 72 LEU H H 71 7.755 7.449 0.306 1 1 977 . 3 1 1 A 72 72 LEU HA H 71 4.081 4.079 0.002 1 1 987 . 3 1 1 A 72 72 LEU C C 71 174.852 176.308 -1.456 1 1 988 . 3 1 1 A 72 72 LEU CA C 71 55.060 55.027 0.033 1 1 989 . 3 1 1 A 72 72 LEU CB C 71 43.109 41.686 1.423 1 1 993 . 3 1 1 A 72 72 LEU N N 71 116.551 118.105 -1.554 1 1 994 . 3 1 1 A 73 73 GLN H H 72 7.740 7.887 -0.147 1 1 995 . 3 1 1 A 73 73 GLN HA H 72 3.853 3.929 -0.076 1 1 1002 . 3 1 1 A 73 73 GLN C C 72 175.619 174.814 0.805 1 1 1003 . 3 1 1 A 73 73 GLN CA C 72 56.273 56.567 -0.294 1 1 1004 . 3 1 1 A 73 73 GLN CB C 72 25.939 26.458 -0.519 1 1 1007 . 3 1 1 A 73 73 GLN N N 72 114.737 117.789 -3.052 1 1 1009 . 3 1 1 A 74 74 LEU H H 73 7.525 7.452 0.073 1 1 1010 . 3 1 1 A 74 74 LEU HA H 73 4.242 4.401 -0.159 1 1 1020 . 3 1 1 A 74 74 LEU C C 73 178.611 175.834 2.777 1 1 1021 . 3 1 1 A 74 74 LEU CA C 73 54.382 54.413 -0.031 1 1 1022 . 3 1 1 A 74 74 LEU CB C 73 41.995 42.085 -0.090 1 1 1026 . 3 1 1 A 74 74 LEU N N 73 114.861 120.439 -5.578 1 1 1027 . 3 1 1 A 75 75 ASN H H 74 8.970 8.368 0.602 1 1 1028 . 3 1 1 A 75 75 ASN HA H 74 4.694 5.048 -0.354 1 1 1033 . 3 1 1 A 75 75 ASN C C 74 176.527 175.265 1.262 1 1 1034 . 3 1 1 A 75 75 ASN CA C 74 52.686 51.445 1.241 1 1 1035 . 3 1 1 A 75 75 ASN CB C 74 39.583 42.011 -2.428 1 1 1037 . 3 1 1 A 75 75 ASN N N 74 121.274 118.584 2.690 1 1 1039 . 3 1 1 A 76 76 ALA H H 75 8.697 8.627 0.070 1 1 1040 . 3 1 1 A 76 76 ALA HA H 75 3.966 4.048 -0.082 1 1 1044 . 3 1 1 A 76 76 ALA C C 75 178.002 179.822 -1.820 1 1 1045 . 3 1 1 A 76 76 ALA CA C 75 54.797 55.353 -0.556 1 1 1046 . 3 1 1 A 76 76 ALA CB C 75 18.669 18.126 0.543 1 1 1047 . 3 1 1 A 76 76 ALA N N 75 123.590 125.003 -1.413 1 1 1048 . 3 1 1 A 77 77 ASN H H 76 8.344 8.162 0.182 1 1 1049 . 3 1 1 A 77 77 ASN HA H 76 4.585 4.522 0.063 1 1 1054 . 3 1 1 A 77 77 ASN C C 76 175.371 175.769 -0.398 1 1 1055 . 3 1 1 A 77 77 ASN CA C 76 53.183 56.147 -2.964 1 1 1056 . 3 1 1 A 77 77 ASN CB C 76 38.277 38.208 0.069 1 1 1058 . 3 1 1 A 77 77 ASN N N 76 112.004 115.226 -3.222 1 1 1060 . 3 1 1 A 78 78 GLN H H 77 7.532 7.541 -0.009 1 1 1061 . 3 1 1 A 78 78 GLN HA H 77 4.281 4.691 -0.410 1 1 1068 . 3 1 1 A 78 78 GLN C C 77 175.001 174.974 0.027 1 1 1069 . 3 1 1 A 78 78 GLN CA C 77 55.875 55.453 0.422 1 1 1070 . 3 1 1 A 78 78 GLN CB C 77 30.227 30.258 -0.031 1 1 1073 . 3 1 1 A 78 78 GLN N N 77 120.237 119.148 1.089 1 1 1075 . 3 1 1 A 79 79 ALA H H 78 8.732 8.876 -0.144 1 1 1076 . 3 1 1 A 79 79 ALA HA H 78 4.183 5.332 -1.149 1 1 1080 . 3 1 1 A 79 79 ALA C C 78 176.367 175.696 0.671 1 1 1081 . 3 1 1 A 79 79 ALA CA C 78 52.798 50.127 2.671 1 1 1082 . 3 1 1 A 79 79 ALA CB C 78 20.051 21.856 -1.805 1 1 1083 . 3 1 1 A 79 79 ALA N N 78 130.399 128.671 1.728 1 1 1084 . 3 1 1 A 80 80 PHE H H 79 7.603 8.485 -0.882 1 1 1085 . 3 1 1 A 80 80 PHE HA H 79 4.449 5.194 -0.745 1 1 1093 . 3 1 1 A 80 80 PHE C C 79 171.709 173.114 -1.405 1 1 1094 . 3 1 1 A 80 80 PHE CA C 79 59.101 56.964 2.137 1 1 1095 . 3 1 1 A 80 80 PHE CB C 79 42.282 42.521 -0.239 1 1 1099 . 3 1 1 A 80 80 PHE N N 79 118.988 123.167 -4.179 1 1 1100 . 3 1 1 A 81 81 PHE H H 80 8.507 9.072 -0.565 1 1 1101 . 3 1 1 A 81 81 PHE HA H 80 4.421 4.470 -0.049 1 1 1109 . 3 1 1 A 81 81 PHE C C 80 172.644 173.951 -1.307 1 1 1110 . 3 1 1 A 81 81 PHE CA C 80 56.711 55.850 0.861 1 1 1111 . 3 1 1 A 81 81 PHE CB C 80 41.880 41.717 0.163 1 1 1115 . 3 1 1 A 81 81 PHE N N 80 126.042 125.106 0.936 1 1 1116 . 3 1 1 A 82 82 LEU H H 81 8.199 8.478 -0.279 1 1 1117 . 3 1 1 A 82 82 LEU HA H 81 4.883 4.843 0.040 1 1 1127 . 3 1 1 A 82 82 LEU C C 81 174.440 174.838 -0.398 1 1 1128 . 3 1 1 A 82 82 LEU CA C 81 53.153 54.311 -1.158 1 1 1129 . 3 1 1 A 82 82 LEU CB C 81 45.520 42.646 2.874 1 1 1133 . 3 1 1 A 82 82 LEU N N 81 121.512 126.456 -4.944 1 1 1134 . 3 1 1 A 83 83 LEU H H 82 9.349 9.572 -0.223 1 1 1135 . 3 1 1 A 83 83 LEU HA H 82 4.810 4.689 0.121 1 1 1145 . 3 1 1 A 83 83 LEU C C 82 177.075 176.081 0.994 1 1 1146 . 3 1 1 A 83 83 LEU CA C 82 54.122 53.867 0.255 1 1 1147 . 3 1 1 A 83 83 LEU CB C 82 43.394 41.766 1.628 1 1 1151 . 3 1 1 A 83 83 LEU N N 82 125.253 129.064 -3.811 1 1 1152 . 3 1 1 A 84 84 VAL H H 83 8.681 9.108 -0.427 1 1 1153 . 3 1 1 A 84 84 VAL HA H 83 4.411 3.827 0.584 1 1 1161 . 3 1 1 A 84 84 VAL C C 83 175.797 176.290 -0.493 1 1 1162 . 3 1 1 A 84 84 VAL CA C 83 61.630 62.467 -0.837 1 1 1163 . 3 1 1 A 84 84 VAL CB C 83 33.647 30.728 2.919 1 1 1166 . 3 1 1 A 84 84 VAL N N 83 123.543 125.707 -2.164 1 1 1167 . 3 1 1 A 85 85 ASN H H 84 9.622 9.200 0.422 1 1 1168 . 3 1 1 A 85 85 ASN HA H 84 4.399 4.730 -0.331 1 1 1173 . 3 1 1 A 85 85 ASN C C 84 175.042 174.849 0.193 1 1 1174 . 3 1 1 A 85 85 ASN CA C 84 54.610 54.249 0.361 1 1 1175 . 3 1 1 A 85 85 ASN CB C 84 37.927 37.002 0.925 1 1 1177 . 3 1 1 A 85 85 ASN N N 84 125.848 127.178 -1.330 1 1 1179 . 3 1 1 A 86 86 GLY H H 85 8.551 8.278 0.273 1 1 1180 . 3 1 1 A 86 86 GLY HA2 H 85 3.368 4.043 -0.675 1 1 1181 . 3 1 1 A 86 86 GLY HA3 H 85 4.064 4.057 0.007 1 1 1182 . 3 1 1 A 86 86 GLY C C 85 173.524 173.810 -0.286 1 1 1183 . 3 1 1 A 86 86 GLY CA C 85 45.588 45.189 0.399 1 1 1184 . 3 1 1 A 86 86 GLY N N 85 101.093 104.843 -3.750 1 1 1185 . 3 1 1 A 87 87 HIS H H 86 7.906 7.390 0.516 1 1 1186 . 3 1 1 A 87 87 HIS HA H 86 5.003 5.147 -0.144 1 1 1191 . 3 1 1 A 87 87 HIS C C 86 173.910 173.991 -0.081 1 1 1192 . 3 1 1 A 87 87 HIS CA C 86 54.213 53.542 0.671 1 1 1193 . 3 1 1 A 87 87 HIS CB C 86 31.482 32.408 -0.926 1 1 1196 . 3 1 1 A 87 87 HIS N N 86 117.253 116.279 0.974 1 1 1197 . 3 1 1 A 88 88 SER H H 87 8.846 8.624 0.222 1 1 1198 . 3 1 1 A 88 88 SER HA H 87 4.702 4.503 0.199 1 1 1201 . 3 1 1 A 88 88 SER C C 87 175.739 175.311 0.428 1 1 1202 . 3 1 1 A 88 88 SER CA C 87 58.245 58.437 -0.192 1 1 1203 . 3 1 1 A 88 88 SER CB C 87 63.764 64.500 -0.736 1 1 1204 . 3 1 1 A 88 88 SER N N 87 117.469 118.693 -1.224 1 1 1205 . 3 1 1 A 89 89 MET H H 88 9.174 8.421 0.753 1 1 1206 . 3 1 1 A 89 89 MET HA H 88 4.820 4.908 -0.088 1 1 1214 . 3 1 1 A 89 89 MET C C 88 176.294 177.082 -0.788 1 1 1215 . 3 1 1 A 89 89 MET CA C 88 54.853 54.022 0.831 1 1 1216 . 3 1 1 A 89 89 MET CB C 88 33.183 32.031 1.152 1 1 1219 . 3 1 1 A 89 89 MET N N 88 125.111 121.735 3.376 1 1 1220 . 3 1 1 A 90 90 VAL H H 89 8.217 7.464 0.753 1 1 1221 . 3 1 1 A 90 90 VAL HA H 89 4.063 3.753 0.310 1 1 1229 . 3 1 1 A 90 90 VAL C C 89 176.249 175.503 0.746 1 1 1230 . 3 1 1 A 90 90 VAL CA C 89 63.377 64.852 -1.475 1 1 1231 . 3 1 1 A 90 90 VAL CB C 89 32.473 31.704 0.769 1 1 1234 . 3 1 1 A 90 90 VAL N N 89 120.477 120.277 0.200 1 1 1235 . 3 1 1 A 91 91 SER H H 90 8.356 7.984 0.372 1 1 1236 . 3 1 1 A 91 91 SER HA H 90 4.614 5.033 -0.419 1 1 1239 . 3 1 1 A 91 91 SER C C 90 175.841 172.464 3.377 1 1 1240 . 3 1 1 A 91 91 SER CA C 90 57.860 57.719 0.141 1 1 1241 . 3 1 1 A 91 91 SER CB C 90 63.398 64.227 -0.829 1 1 1242 . 3 1 1 A 91 91 SER N N 90 116.676 115.357 1.319 1 1 1243 . 3 1 1 A 92 92 VAL H H 91 8.158 8.952 -0.794 1 1 1244 . 3 1 1 A 92 92 VAL HA H 91 4.245 4.727 -0.482 1 1 1252 . 3 1 1 A 92 92 VAL C C 91 175.856 175.360 0.496 1 1 1253 . 3 1 1 A 92 92 VAL CA C 91 63.121 61.427 1.694 1 1 1254 . 3 1 1 A 92 92 VAL CB C 91 31.872 33.011 -1.139 1 1 1257 . 3 1 1 A 92 92 VAL N N 91 119.994 127.842 -7.848 1 1 1258 . 3 1 1 A 93 93 SER H H 92 8.368 8.878 -0.510 1 1 1259 . 3 1 1 A 93 93 SER HA H 92 4.581 4.783 -0.202 1 1 1262 . 3 1 1 A 93 93 SER C C 92 174.154 173.549 0.605 1 1 1263 . 3 1 1 A 93 93 SER CA C 92 57.706 57.294 0.412 1 1 1264 . 3 1 1 A 93 93 SER CB C 92 63.126 64.207 -1.081 1 1 1265 . 3 1 1 A 93 93 SER N N 92 116.504 126.495 -9.991 1 1 1266 . 3 1 1 A 94 94 THR H H 93 7.427 7.539 -0.112 1 1 1267 . 3 1 1 A 94 94 THR HA H 93 4.464 4.639 -0.175 1 1 1272 . 3 1 1 A 94 94 THR CA C 93 61.032 59.117 1.915 1 1 1273 . 3 1 1 A 94 94 THR CB C 93 70.505 71.575 -1.070 1 1 1275 . 3 1 1 A 94 94 THR N N 93 119.172 116.005 3.167 1 1 1276 . 3 1 1 A 95 95 PRO HA H 94 4.426 4.727 -0.301 1 1 1283 . 3 1 1 A 95 95 PRO C C 94 178.692 178.072 0.620 1 1 1284 . 3 1 1 A 95 95 PRO CA C 94 62.921 62.745 0.176 1 1 1285 . 3 1 1 A 95 95 PRO CB C 94 32.774 32.374 0.400 1 1 1288 . 3 1 1 A 96 96 ILE H H 95 9.324 9.005 0.319 1 1 1289 . 3 1 1 A 96 96 ILE HA H 95 3.956 4.012 -0.056 1 1 1299 . 3 1 1 A 96 96 ILE C C 95 176.415 177.179 -0.764 1 1 1300 . 3 1 1 A 96 96 ILE CA C 95 63.880 63.680 0.200 1 1 1301 . 3 1 1 A 96 96 ILE CB C 95 38.055 37.945 0.110 1 1 1305 . 3 1 1 A 96 96 ILE N N 95 123.862 125.775 -1.913 1 1 1306 . 3 1 1 A 97 97 SER H H 96 8.211 8.336 -0.125 1 1 1307 . 3 1 1 A 97 97 SER HA H 96 3.978 4.139 -0.161 1 1 1310 . 3 1 1 A 97 97 SER C C 96 176.494 177.409 -0.915 1 1 1311 . 3 1 1 A 97 97 SER CA C 96 61.576 61.379 0.197 1 1 1312 . 3 1 1 A 97 97 SER CB C 96 61.262 62.272 -1.010 1 1 1313 . 3 1 1 A 97 97 SER N N 96 116.529 117.248 -0.719 1 1 1314 . 3 1 1 A 98 98 GLU H H 97 7.329 8.067 -0.738 1 1 1315 . 3 1 1 A 98 98 GLU HA H 97 4.290 4.227 0.063 1 1 1320 . 3 1 1 A 98 98 GLU C C 97 179.288 178.953 0.335 1 1 1321 . 3 1 1 A 98 98 GLU CA C 97 58.705 59.431 -0.726 1 1 1322 . 3 1 1 A 98 98 GLU CB C 97 29.791 30.154 -0.363 1 1 1324 . 3 1 1 A 98 98 GLU N N 97 122.955 122.592 0.363 1 1 1325 . 3 1 1 A 99 99 VAL H H 98 7.386 8.144 -0.758 1 1 1326 . 3 1 1 A 99 99 VAL HA H 98 3.815 3.819 -0.004 1 1 1334 . 3 1 1 A 99 99 VAL C C 98 177.662 178.217 -0.555 1 1 1335 . 3 1 1 A 99 99 VAL CA C 98 65.774 65.865 -0.091 1 1 1336 . 3 1 1 A 99 99 VAL CB C 98 32.047 31.793 0.254 1 1 1339 . 3 1 1 A 99 99 VAL N N 98 120.888 120.602 0.286 1 1 1340 . 3 1 1 A 100 100 TYR H H 99 8.984 7.995 0.989 1 1 1341 . 3 1 1 A 100 100 TYR HA H 99 4.013 4.207 -0.194 1 1 1348 . 3 1 1 A 100 100 TYR C C 99 176.355 178.111 -1.756 1 1 1349 . 3 1 1 A 100 100 TYR CA C 99 62.118 61.571 0.547 1 1 1350 . 3 1 1 A 100 100 TYR CB C 99 38.921 38.850 0.071 1 1 1353 . 3 1 1 A 100 100 TYR N N 99 118.874 121.129 -2.255 1 1 1354 . 3 1 1 A 101 101 GLU H H 100 7.433 8.622 -1.189 1 1 1355 . 3 1 1 A 101 101 GLU HA H 100 3.833 4.118 -0.285 1 1 1360 . 3 1 1 A 101 101 GLU C C 100 177.674 177.059 0.615 1 1 1361 . 3 1 1 A 101 101 GLU CA C 100 58.895 58.058 0.837 1 1 1362 . 3 1 1 A 101 101 GLU CB C 100 29.577 28.518 1.059 1 1 1364 . 3 1 1 A 101 101 GLU N N 100 114.383 117.860 -3.477 1 1 1365 . 3 1 1 A 102 102 SER H H 101 7.423 8.171 -0.748 1 1 1366 . 3 1 1 A 102 102 SER HA H 101 4.552 4.598 -0.046 1 1 1369 . 3 1 1 A 102 102 SER C C 101 176.554 174.806 1.748 1 1 1370 . 3 1 1 A 102 102 SER CA C 101 60.200 59.094 1.106 1 1 1371 . 3 1 1 A 102 102 SER CB C 101 64.828 64.334 0.494 1 1 1372 . 3 1 1 A 102 102 SER N N 101 108.722 115.210 -6.488 1 1 1373 . 3 1 1 A 103 103 GLU H H 102 8.488 7.904 0.584 1 1 1374 . 3 1 1 A 103 103 GLU HA H 102 4.752 4.466 0.286 1 1 1379 . 3 1 1 A 103 103 GLU C C 102 176.653 176.464 0.189 1 1 1380 . 3 1 1 A 103 103 GLU CA C 102 55.464 57.469 -2.005 1 1 1381 . 3 1 1 A 103 103 GLU CB C 102 30.611 31.534 -0.923 1 1 1383 . 3 1 1 A 103 103 GLU N N 102 116.116 118.786 -2.670 1 1 1384 . 3 1 1 A 104 104 ARG H H 103 7.511 7.686 -0.175 1 1 1385 . 3 1 1 A 104 104 ARG HA H 103 4.241 4.243 -0.002 1 1 1392 . 3 1 1 A 104 104 ARG C C 103 174.634 174.971 -0.337 1 1 1393 . 3 1 1 A 104 104 ARG CA C 103 56.926 56.198 0.728 1 1 1394 . 3 1 1 A 104 104 ARG CB C 103 29.713 29.912 -0.199 1 1 1397 . 3 1 1 A 104 104 ARG N N 103 117.180 118.626 -1.446 1 1 1398 . 3 1 1 A 105 105 ASP H H 104 9.069 8.017 1.052 1 1 1399 . 3 1 1 A 105 105 ASP HA H 104 4.774 4.971 -0.197 1 1 1402 . 3 1 1 A 105 105 ASP C C 104 177.460 176.266 1.194 1 1 1403 . 3 1 1 A 105 105 ASP CA C 104 53.852 51.981 1.871 1 1 1404 . 3 1 1 A 105 105 ASP CB C 104 43.424 44.025 -0.601 1 1 1405 . 3 1 1 A 105 105 ASP N N 104 123.349 122.710 0.639 1 1 1406 . 3 1 1 A 106 106 GLU H H 105 8.982 8.957 0.025 1 1 1407 . 3 1 1 A 106 106 GLU HA H 105 4.199 4.019 0.180 1 1 1412 . 3 1 1 A 106 106 GLU C C 105 177.398 178.063 -0.665 1 1 1413 . 3 1 1 A 106 106 GLU CA C 105 59.413 59.794 -0.381 1 1 1414 . 3 1 1 A 106 106 GLU CB C 105 29.983 29.390 0.593 1 1 1416 . 3 1 1 A 106 106 GLU N N 105 125.197 122.766 2.431 1 1 1417 . 3 1 1 A 107 107 ASP H H 106 9.873 8.130 1.743 1 1 1418 . 3 1 1 A 107 107 ASP HA H 106 4.211 4.003 0.208 1 1 1421 . 3 1 1 A 107 107 ASP C C 106 175.775 176.695 -0.920 1 1 1422 . 3 1 1 A 107 107 ASP CA C 106 54.698 55.419 -0.721 1 1 1423 . 3 1 1 A 107 107 ASP CB C 106 40.187 41.553 -1.366 1 1 1424 . 3 1 1 A 107 107 ASP N N 106 118.717 117.096 1.621 1 1 1425 . 3 1 1 A 108 108 GLY H H 107 7.971 8.089 -0.118 1 1 1426 . 3 1 1 A 108 108 GLY HA2 H 107 3.431 3.958 -0.527 1 1 1427 . 3 1 1 A 108 108 GLY HA3 H 107 4.526 3.969 0.557 1 1 1428 . 3 1 1 A 108 108 GLY C C 107 175.138 173.746 1.392 1 1 1429 . 3 1 1 A 108 108 GLY CA C 107 45.029 45.261 -0.232 1 1 1430 . 3 1 1 A 108 108 GLY N N 107 105.017 108.841 -3.824 1 1 1431 . 3 1 1 A 109 109 PHE H H 108 9.799 8.329 1.470 1 1 1432 . 3 1 1 A 109 109 PHE HA H 108 4.607 4.715 -0.108 1 1 1440 . 3 1 1 A 109 109 PHE C C 108 175.171 175.014 0.157 1 1 1441 . 3 1 1 A 109 109 PHE CA C 108 60.222 57.244 2.978 1 1 1442 . 3 1 1 A 109 109 PHE CB C 108 40.433 40.735 -0.302 1 1 1446 . 3 1 1 A 109 109 PHE N N 108 123.309 119.942 3.367 1 1 1447 . 3 1 1 A 110 110 LEU H H 109 8.061 9.041 -0.980 1 1 1448 . 3 1 1 A 110 110 LEU HA H 109 5.022 4.354 0.668 1 1 1458 . 3 1 1 A 110 110 LEU C C 109 174.033 175.769 -1.736 1 1 1459 . 3 1 1 A 110 110 LEU CA C 109 53.539 54.769 -1.230 1 1 1460 . 3 1 1 A 110 110 LEU CB C 109 45.284 42.678 2.606 1 1 1464 . 3 1 1 A 110 110 LEU N N 109 119.999 126.091 -6.092 1 1 1465 . 3 1 1 A 111 111 TYR H H 110 9.363 9.313 0.050 1 1 1466 . 3 1 1 A 111 111 TYR HA H 110 4.906 5.031 -0.125 1 1 1473 . 3 1 1 A 111 111 TYR C C 110 176.538 174.771 1.767 1 1 1474 . 3 1 1 A 111 111 TYR CA C 110 59.335 56.633 2.702 1 1 1475 . 3 1 1 A 111 111 TYR CB C 110 39.485 40.213 -0.728 1 1 1478 . 3 1 1 A 111 111 TYR N N 110 126.322 121.696 4.626 1 1 1479 . 3 1 1 A 112 112 MET H H 111 9.496 8.931 0.565 1 1 1480 . 3 1 1 A 112 112 MET HA H 111 5.522 5.383 0.139 1 1 1488 . 3 1 1 A 112 112 MET C C 111 175.676 174.633 1.043 1 1 1489 . 3 1 1 A 112 112 MET CA C 111 54.216 54.398 -0.182 1 1 1490 . 3 1 1 A 112 112 MET CB C 111 36.821 37.221 -0.400 1 1 1493 . 3 1 1 A 112 112 MET N N 111 119.003 123.173 -4.170 1 1 1494 . 3 1 1 A 113 113 VAL H H 112 8.749 9.069 -0.320 1 1 1495 . 3 1 1 A 113 113 VAL HA H 112 5.967 5.101 0.866 1 1 1503 . 3 1 1 A 113 113 VAL C C 112 174.893 175.326 -0.433 1 1 1504 . 3 1 1 A 113 113 VAL CA C 112 58.896 61.416 -2.520 1 1 1505 . 3 1 1 A 113 113 VAL CB C 112 36.149 34.309 1.840 1 1 1508 . 3 1 1 A 113 113 VAL N N 112 119.658 121.687 -2.029 1 1 1509 . 3 1 1 A 114 114 TYR H H 113 8.210 8.515 -0.305 1 1 1510 . 3 1 1 A 114 114 TYR HA H 113 6.141 5.885 0.256 1 1 1517 . 3 1 1 A 114 114 TYR C C 113 173.353 174.268 -0.915 1 1 1518 . 3 1 1 A 114 114 TYR CA C 113 54.161 55.122 -0.961 1 1 1519 . 3 1 1 A 114 114 TYR CB C 113 43.538 42.175 1.363 1 1 1522 . 3 1 1 A 114 114 TYR N N 113 118.947 125.254 -6.307 1 1 1523 . 3 1 1 A 115 115 ALA H H 114 8.483 8.688 -0.205 1 1 1524 . 3 1 1 A 115 115 ALA HA H 114 4.762 4.883 -0.121 1 1 1528 . 3 1 1 A 115 115 ALA C C 114 176.033 176.819 -0.786 1 1 1529 . 3 1 1 A 115 115 ALA CA C 114 51.223 51.380 -0.157 1 1 1530 . 3 1 1 A 115 115 ALA CB C 114 24.521 22.413 2.108 1 1 1531 . 3 1 1 A 115 115 ALA N N 114 119.557 121.904 -2.347 1 1 1532 . 3 1 1 A 116 116 SER H H 115 9.835 8.590 1.245 1 1 1533 . 3 1 1 A 116 116 SER HA H 115 4.497 4.882 -0.385 1 1 1536 . 3 1 1 A 116 116 SER C C 115 172.664 173.748 -1.084 1 1 1537 . 3 1 1 A 116 116 SER CA C 115 58.669 58.016 0.653 1 1 1538 . 3 1 1 A 116 116 SER CB C 115 63.570 63.481 0.089 1 1 1539 . 3 1 1 A 116 116 SER N N 115 114.435 114.593 -0.158 1 1 1540 . 3 1 1 A 117 117 GLN H H 116 7.180 7.626 -0.446 1 1 1541 . 3 1 1 A 117 117 GLN HA H 116 4.460 4.908 -0.448 1 1 1548 . 3 1 1 A 117 117 GLN C C 116 172.901 175.540 -2.639 1 1 1549 . 3 1 1 A 117 117 GLN CA C 116 53.974 54.885 -0.911 1 1 1550 . 3 1 1 A 117 117 GLN CB C 116 32.192 31.704 0.488 1 1 1553 . 3 1 1 A 117 117 GLN N N 116 116.449 120.404 -3.955 1 1 1555 . 3 1 1 A 118 118 GLU H H 117 7.878 8.974 -1.096 1 1 1556 . 3 1 1 A 118 118 GLU HA H 117 3.259 4.569 -1.310 1 1 1561 . 3 1 1 A 118 118 GLU C C 117 175.233 176.982 -1.749 1 1 1562 . 3 1 1 A 118 118 GLU CA C 117 56.890 56.693 0.197 1 1 1563 . 3 1 1 A 118 118 GLU CB C 117 30.325 30.361 -0.036 1 1 1565 . 3 1 1 A 118 118 GLU N N 117 117.687 126.270 -8.583 1 1 1566 . 3 1 1 A 119 119 THR H H 118 6.968 7.647 -0.679 1 1 1567 . 3 1 1 A 119 119 THR HA H 118 4.082 4.532 -0.450 1 1 1572 . 3 1 1 A 119 119 THR C C 118 173.134 174.838 -1.704 1 1 1573 . 3 1 1 A 119 119 THR CA C 118 60.123 59.779 0.344 1 1 1574 . 3 1 1 A 119 119 THR CB C 118 70.147 68.480 1.667 1 1 1576 . 3 1 1 A 119 119 THR N N 118 109.548 107.904 1.644 1 1 1577 . 3 1 1 A 120 120 PHE H H 119 8.138 7.952 0.186 1 1 1578 . 3 1 1 A 120 120 PHE HA H 119 4.436 4.278 0.158 1 1 1586 . 3 1 1 A 120 120 PHE C C 119 174.902 177.401 -2.499 1 1 1587 . 3 1 1 A 120 120 PHE CA C 119 56.750 58.719 -1.969 1 1 1588 . 3 1 1 A 120 120 PHE CB C 119 39.411 38.278 1.133 1 1 1592 . 3 1 1 A 120 120 PHE N N 119 121.777 121.445 0.332 1 1 1607 . 3 2 2 B 2 2 SER H H 332 8.471 9.064 -0.593 1 1 1608 . 3 2 2 B 2 2 SER HA H 332 4.484 4.784 -0.300 1 1 1611 . 3 2 2 B 2 2 SER C C 332 174.962 173.851 1.111 1 1 1612 . 3 2 2 B 2 2 SER CA C 332 88.436 57.545 30.891 1 1 1613 . 3 2 2 B 2 2 SER CB C 332 93.927 64.226 29.701 1 1 1614 . 3 2 2 B 2 2 SER N N 332 147.261 115.825 31.436 1 1 1615 . 3 2 2 B 3 3 GLY H H 333 8.601 7.182 1.419 1 1 1616 . 3 2 2 B 3 3 GLY HA2 H 333 4.022 4.102 -0.080 1 1 1617 . 3 2 2 B 3 3 GLY HA3 H 333 4.022 4.106 -0.084 1 1 1618 . 3 2 2 B 3 3 GLY C C 333 174.774 174.178 0.596 1 1 1619 . 3 2 2 B 3 3 GLY CA C 333 75.465 44.794 30.671 1 1 1620 . 3 2 2 B 3 3 GLY N N 333 141.077 108.711 32.366 1 1 1621 . 3 2 2 B 4 4 GLY H H 334 8.372 8.791 -0.419 1 1 1622 . 3 2 2 B 4 4 GLY HA2 H 334 3.980 4.096 -0.116 1 1 1623 . 3 2 2 B 4 4 GLY HA3 H 334 3.980 4.099 -0.119 1 1 1624 . 3 2 2 B 4 4 GLY C C 334 174.758 174.559 0.199 1 1 1625 . 3 2 2 B 4 4 GLY CA C 334 75.674 44.741 30.933 1 1 1626 . 3 2 2 B 4 4 GLY N N 334 138.894 108.867 30.027 1 1 1627 . 3 2 2 B 5 5 ASP H H 335 8.429 8.207 0.222 1 1 1628 . 3 2 2 B 5 5 ASP HA H 335 4.610 5.070 -0.460 1 1 1631 . 3 2 2 B 5 5 ASP CA C 335 85.066 53.911 31.155 1 1 1632 . 3 2 2 B 5 5 ASP CB C 335 71.191 41.336 29.855 1 1 1633 . 3 2 2 B 5 5 ASP N N 335 149.637 124.316 25.321 1 1 1634 . 3 2 2 B 6 6 ASP H H 336 8.244 8.263 -0.019 1 1 1635 . 3 2 2 B 6 6 ASP HA H 336 4.559 4.350 0.209 1 1 1638 . 3 2 2 B 6 6 ASP C C 336 175.432 176.507 -1.075 1 1 1639 . 3 2 2 B 6 6 ASP CA C 336 84.708 57.649 27.059 1 1 1640 . 3 2 2 B 6 6 ASP CB C 336 71.552 41.079 30.473 1 1 1641 . 3 2 2 B 6 6 ASP N N 336 148.885 120.088 28.797 1 1 1642 . 3 2 2 B 7 7 ASP H H 337 7.803 8.095 -0.292 1 1 1643 . 3 2 2 B 7 7 ASP HA H 337 4.655 5.110 -0.455 1 1 1646 . 3 2 2 B 7 7 ASP C C 337 175.362 175.526 -0.164 1 1 1647 . 3 2 2 B 7 7 ASP CA C 337 83.670 52.856 30.814 1 1 1648 . 3 2 2 B 7 7 ASP CB C 337 71.933 44.155 27.778 1 1 1649 . 3 2 2 B 7 7 ASP N N 337 149.563 118.175 31.388 1 1 1650 . 3 2 2 B 8 8 TRP H H 338 8.472 8.609 -0.137 1 1 1651 . 3 2 2 B 8 8 TRP HA H 338 4.174 4.794 -0.620 1 1 1660 . 3 2 2 B 8 8 TRP C C 338 175.959 176.247 -0.288 1 1 1661 . 3 2 2 B 8 8 TRP CA C 338 87.020 57.615 29.405 1 1 1662 . 3 2 2 B 8 8 TRP CB C 338 61.223 30.020 31.203 1 1 1668 . 3 2 2 B 8 8 TRP N N 338 150.172 123.876 26.296 1 1 1670 . 3 2 2 B 9 9 THR H H 339 7.994 8.475 -0.481 1 1 1671 . 3 2 2 B 9 9 THR HA H 339 4.533 4.472 0.061 1 1 1676 . 3 2 2 B 9 9 THR C C 339 174.035 172.941 1.094 1 1 1677 . 3 2 2 B 9 9 THR CA C 339 92.659 60.060 32.599 1 1 1678 . 3 2 2 B 9 9 THR CB C 339 99.436 70.697 28.739 1 1 1680 . 3 2 2 B 9 9 THR N N 339 149.503 115.526 33.977 1 1 1681 . 3 2 2 B 10 10 HIS H H 340 9.463 8.084 1.379 1 1 1682 . 3 2 2 B 10 10 HIS HA H 340 4.677 5.093 -0.416 1 1 1687 . 3 2 2 B 10 10 HIS C C 340 175.606 174.065 1.541 1 1 1688 . 3 2 2 B 10 10 HIS CA C 340 87.024 54.530 32.494 1 1 1689 . 3 2 2 B 10 10 HIS CB C 340 61.368 31.872 29.496 1 1 1692 . 3 2 2 B 10 10 HIS N N 340 159.135 123.557 35.578 1 1 1693 . 3 2 2 B 11 11 LEU H H 341 8.398 9.218 -0.820 1 1 1694 . 3 2 2 B 11 11 LEU HA H 341 4.848 4.714 0.134 1 1 1704 . 3 2 2 B 11 11 LEU C C 341 175.919 175.761 0.158 1 1 1705 . 3 2 2 B 11 11 LEU CA C 341 83.684 53.953 29.731 1 1 1706 . 3 2 2 B 11 11 LEU CB C 341 73.601 41.271 32.330 1 1 1710 . 3 2 2 B 11 11 LEU N N 341 153.300 125.820 27.480 1 1 1711 . 3 2 2 B 12 12 SER H H 342 8.382 8.948 -0.566 1 1 1712 . 3 2 2 B 12 12 SER HA H 342 4.652 4.895 -0.243 1 1 1715 . 3 2 2 B 12 12 SER C C 342 174.263 174.693 -0.430 1 1 1716 . 3 2 2 B 12 12 SER CA C 342 86.841 58.139 28.702 1 1 1717 . 3 2 2 B 12 12 SER CB C 342 95.113 63.864 31.249 1 1 1718 . 3 2 2 B 12 12 SER N N 342 144.018 122.382 21.636 1 1 1719 . 3 2 2 B 13 13 SER H H 343 8.937 9.096 -0.159 1 1 1720 . 3 2 2 B 13 13 SER HA H 343 4.291 4.457 -0.166 1 1 1723 . 3 2 2 B 13 13 SER C C 343 174.652 174.918 -0.266 1 1 1724 . 3 2 2 B 13 13 SER CA C 343 89.546 59.357 30.189 1 1 1725 . 3 2 2 B 13 13 SER CB C 343 93.470 63.483 29.987 1 1 1726 . 3 2 2 B 13 13 SER N N 343 148.575 120.728 27.847 1 1 1727 . 3 2 2 B 14 14 LYS H H 344 8.250 8.224 0.026 1 1 1728 . 3 2 2 B 14 14 LYS HA H 344 4.319 4.376 -0.057 1 1 1737 . 3 2 2 B 14 14 LYS C C 344 176.699 177.504 -0.805 1 1 1738 . 3 2 2 B 14 14 LYS CA C 344 86.716 57.811 28.905 1 1 1739 . 3 2 2 B 14 14 LYS CB C 344 62.831 33.489 29.342 1 1 1743 . 3 2 2 B 14 14 LYS N N 344 151.908 119.565 32.343 1 1 1744 . 3 2 2 B 15 15 GLU H H 345 8.256 7.696 0.560 1 1 1745 . 3 2 2 B 15 15 GLU HA H 345 4.240 4.425 -0.185 1 1 1750 . 3 2 2 B 15 15 GLU C C 345 176.152 176.154 -0.002 1 1 1751 . 3 2 2 B 15 15 GLU CA C 345 87.152 56.353 30.799 1 1 1752 . 3 2 2 B 15 15 GLU CB C 345 60.176 30.267 29.909 1 1 1754 . 3 2 2 B 15 15 GLU N N 345 150.679 117.866 32.813 1 1 1755 . 3 2 2 B 16 16 VAL H H 346 7.762 7.324 0.438 1 1 1756 . 3 2 2 B 16 16 VAL HA H 346 4.161 4.117 0.044 1 1 1764 . 3 2 2 B 16 16 VAL C C 346 174.646 175.919 -1.273 1 1 1765 . 3 2 2 B 16 16 VAL CA C 346 91.707 60.793 30.914 1 1 1766 . 3 2 2 B 16 16 VAL CB C 346 63.107 33.601 29.506 1 1 1769 . 3 2 2 B 16 16 VAL N N 346 146.718 116.189 30.529 1 1 9 . 4 1 1 A 2 2 MET H H 1 8.414 7.597 0.817 1 1 10 . 4 1 1 A 2 2 MET HA H 1 4.826 4.550 0.276 1 1 18 . 4 1 1 A 2 2 MET CA C 1 53.382 55.291 -1.909 1 1 19 . 4 1 1 A 2 2 MET CB C 1 32.478 32.380 0.098 1 1 22 . 4 1 1 A 2 2 MET N N 1 122.882 120.661 2.221 1 1 23 . 4 1 1 A 3 3 PRO HA H 2 4.425 4.690 -0.265 1 1 30 . 4 1 1 A 3 3 PRO C C 2 176.847 176.347 0.500 1 1 31 . 4 1 1 A 3 3 PRO CA C 2 63.386 62.397 0.989 1 1 32 . 4 1 1 A 3 3 PRO CB C 2 32.077 32.890 -0.813 1 1 35 . 4 1 1 A 4 4 SER H H 3 8.347 8.466 -0.119 1 1 36 . 4 1 1 A 4 4 SER HA H 3 4.391 5.148 -0.757 1 1 39 . 4 1 1 A 4 4 SER C C 3 174.643 173.706 0.937 1 1 40 . 4 1 1 A 4 4 SER CA C 3 58.336 56.762 1.574 1 1 41 . 4 1 1 A 4 4 SER CB C 3 63.798 66.037 -2.239 1 1 42 . 4 1 1 A 4 4 SER N N 3 115.234 114.806 0.428 1 1 43 . 4 1 1 A 5 5 GLU H H 4 8.472 8.595 -0.123 1 1 44 . 4 1 1 A 5 5 GLU HA H 4 4.297 4.845 -0.548 1 1 49 . 4 1 1 A 5 5 GLU C C 4 176.352 175.933 0.419 1 1 50 . 4 1 1 A 5 5 GLU CA C 4 56.572 55.079 1.493 1 1 51 . 4 1 1 A 5 5 GLU CB C 4 30.285 31.950 -1.665 1 1 53 . 4 1 1 A 5 5 GLU N N 4 123.045 118.890 4.155 1 1 54 . 4 1 1 A 6 6 LYS H H 5 8.214 8.284 -0.070 1 1 55 . 4 1 1 A 6 6 LYS HA H 5 4.500 4.477 0.023 1 1 64 . 4 1 1 A 6 6 LYS C C 5 177.243 175.922 1.321 1 1 65 . 4 1 1 A 6 6 LYS CA C 5 55.943 56.525 -0.582 1 1 66 . 4 1 1 A 6 6 LYS CB C 5 34.621 33.654 0.967 1 1 70 . 4 1 1 A 6 6 LYS N N 5 121.467 121.779 -0.312 1 1 71 . 4 1 1 A 7 7 THR H H 6 8.431 8.392 0.039 1 1 72 . 4 1 1 A 7 7 THR HA H 6 4.383 5.070 -0.687 1 1 77 . 4 1 1 A 7 7 THR C C 6 175.360 175.420 -0.060 1 1 78 . 4 1 1 A 7 7 THR CA C 6 61.124 59.336 1.788 1 1 79 . 4 1 1 A 7 7 THR CB C 6 69.863 71.861 -1.998 1 1 81 . 4 1 1 A 7 7 THR N N 6 114.691 111.344 3.347 1 1 82 . 4 1 1 A 8 8 PHE H H 7 10.194 9.593 0.601 1 1 83 . 4 1 1 A 8 8 PHE HA H 7 3.904 4.173 -0.269 1 1 88 . 4 1 1 A 8 8 PHE C C 7 177.000 177.185 -0.185 1 1 89 . 4 1 1 A 8 8 PHE CA C 7 63.388 62.074 1.314 1 1 90 . 4 1 1 A 8 8 PHE CB C 7 39.586 39.556 0.030 1 1 92 . 4 1 1 A 8 8 PHE N N 7 124.861 123.316 1.545 1 1 93 . 4 1 1 A 9 9 LYS H H 8 8.707 8.369 0.338 1 1 94 . 4 1 1 A 9 9 LYS HA H 8 3.761 4.204 -0.443 1 1 103 . 4 1 1 A 9 9 LYS C C 8 177.496 179.162 -1.666 1 1 104 . 4 1 1 A 9 9 LYS CA C 8 59.945 59.283 0.662 1 1 105 . 4 1 1 A 9 9 LYS CB C 8 33.870 32.249 1.621 1 1 109 . 4 1 1 A 9 9 LYS N N 8 114.189 118.195 -4.006 1 1 110 . 4 1 1 A 10 10 GLN H H 9 7.284 8.057 -0.773 1 1 111 . 4 1 1 A 10 10 GLN HA H 9 4.113 4.165 -0.052 1 1 118 . 4 1 1 A 10 10 GLN C C 9 177.416 178.135 -0.719 1 1 119 . 4 1 1 A 10 10 GLN CA C 9 56.743 58.468 -1.725 1 1 120 . 4 1 1 A 10 10 GLN CB C 9 30.002 28.980 1.022 1 1 123 . 4 1 1 A 10 10 GLN N N 9 112.843 119.054 -6.211 1 1 125 . 4 1 1 A 11 11 ARG H H 10 7.889 8.494 -0.605 1 1 126 . 4 1 1 A 11 11 ARG HA H 10 4.255 3.998 0.257 1 1 133 . 4 1 1 A 11 11 ARG C C 10 175.059 176.509 -1.450 1 1 134 . 4 1 1 A 11 11 ARG CA C 10 57.018 59.277 -2.259 1 1 135 . 4 1 1 A 11 11 ARG CB C 10 31.628 30.311 1.317 1 1 138 . 4 1 1 A 11 11 ARG N N 10 117.567 120.419 -2.852 1 1 139 . 4 1 1 A 12 12 ARG H H 11 7.443 7.831 -0.388 1 1 140 . 4 1 1 A 12 12 ARG HA H 11 4.493 4.332 0.161 1 1 147 . 4 1 1 A 12 12 ARG CA C 11 54.172 55.650 -1.478 1 1 148 . 4 1 1 A 12 12 ARG CB C 11 32.857 31.049 1.808 1 1 151 . 4 1 1 A 12 12 ARG N N 11 122.786 120.328 2.458 1 1 152 . 4 1 1 A 13 13 SER HA H 12 4.403 4.532 -0.129 1 1 155 . 4 1 1 A 13 13 SER C C 12 174.222 175.348 -1.126 1 1 156 . 4 1 1 A 13 13 SER CA C 12 58.274 60.181 -1.907 1 1 157 . 4 1 1 A 13 13 SER CB C 12 64.821 63.657 1.164 1 1 158 . 4 1 1 A 14 14 PHE H H 13 9.239 9.332 -0.093 1 1 159 . 4 1 1 A 14 14 PHE HA H 13 4.035 4.154 -0.119 1 1 165 . 4 1 1 A 14 14 PHE C C 13 176.023 177.111 -1.088 1 1 166 . 4 1 1 A 14 14 PHE CA C 13 62.790 62.644 0.146 1 1 167 . 4 1 1 A 14 14 PHE CB C 13 39.580 40.118 -0.538 1 1 169 . 4 1 1 A 14 14 PHE N N 13 123.729 125.544 -1.815 1 1 170 . 4 1 1 A 15 15 GLU H H 14 9.093 8.643 0.450 1 1 171 . 4 1 1 A 15 15 GLU HA H 14 3.813 3.917 -0.104 1 1 176 . 4 1 1 A 15 15 GLU C C 14 179.549 179.093 0.456 1 1 177 . 4 1 1 A 15 15 GLU CA C 14 60.444 60.304 0.140 1 1 178 . 4 1 1 A 15 15 GLU CB C 14 28.804 29.096 -0.292 1 1 180 . 4 1 1 A 15 15 GLU N N 14 115.336 117.280 -1.944 1 1 181 . 4 1 1 A 16 16 GLN H H 15 7.752 8.433 -0.681 1 1 182 . 4 1 1 A 16 16 GLN HA H 15 4.044 4.265 -0.221 1 1 189 . 4 1 1 A 16 16 GLN C C 15 177.931 178.299 -0.368 1 1 190 . 4 1 1 A 16 16 GLN CA C 15 58.486 58.111 0.375 1 1 191 . 4 1 1 A 16 16 GLN CB C 15 29.393 28.412 0.981 1 1 194 . 4 1 1 A 16 16 GLN N N 15 119.145 118.753 0.392 1 1 196 . 4 1 1 A 17 17 ARG H H 16 8.577 8.196 0.381 1 1 197 . 4 1 1 A 17 17 ARG HA H 16 4.280 4.267 0.013 1 1 202 . 4 1 1 A 17 17 ARG C C 16 177.128 179.062 -1.934 1 1 203 . 4 1 1 A 17 17 ARG CA C 16 61.442 58.899 2.543 1 1 204 . 4 1 1 A 17 17 ARG N N 16 121.288 121.120 0.168 1 1 205 . 4 1 1 A 18 18 VAL H H 17 8.329 8.218 0.111 1 1 206 . 4 1 1 A 18 18 VAL HA H 17 3.938 3.746 0.192 1 1 214 . 4 1 1 A 18 18 VAL C C 17 179.744 178.133 1.611 1 1 215 . 4 1 1 A 18 18 VAL CA C 17 65.441 66.135 -0.694 1 1 216 . 4 1 1 A 18 18 VAL CB C 17 32.080 31.522 0.558 1 1 219 . 4 1 1 A 18 18 VAL N N 17 116.752 120.044 -3.292 1 1 220 . 4 1 1 A 19 19 GLU H H 18 7.445 7.891 -0.446 1 1 221 . 4 1 1 A 19 19 GLU HA H 18 4.270 4.099 0.171 1 1 226 . 4 1 1 A 19 19 GLU C C 18 177.625 178.699 -1.074 1 1 227 . 4 1 1 A 19 19 GLU CA C 18 58.637 59.357 -0.720 1 1 228 . 4 1 1 A 19 19 GLU CB C 18 29.398 29.181 0.217 1 1 230 . 4 1 1 A 19 19 GLU N N 18 120.323 120.363 -0.040 1 1 231 . 4 1 1 A 20 20 ASP H H 19 8.690 8.212 0.478 1 1 232 . 4 1 1 A 20 20 ASP HA H 19 4.514 4.399 0.115 1 1 235 . 4 1 1 A 20 20 ASP C C 19 179.877 178.248 1.629 1 1 236 . 4 1 1 A 20 20 ASP CA C 19 57.224 57.658 -0.434 1 1 237 . 4 1 1 A 20 20 ASP CB C 19 41.487 41.729 -0.242 1 1 238 . 4 1 1 A 20 20 ASP N N 19 120.313 120.329 -0.016 1 1 239 . 4 1 1 A 21 21 VAL H H 20 7.731 8.082 -0.351 1 1 240 . 4 1 1 A 21 21 VAL HA H 20 3.394 3.373 0.021 1 1 248 . 4 1 1 A 21 21 VAL C C 20 176.989 177.947 -0.958 1 1 249 . 4 1 1 A 21 21 VAL CA C 20 65.989 66.508 -0.519 1 1 250 . 4 1 1 A 21 21 VAL CB C 20 31.291 31.140 0.151 1 1 253 . 4 1 1 A 21 21 VAL N N 20 119.119 119.352 -0.233 1 1 254 . 4 1 1 A 22 22 ARG H H 21 8.313 7.902 0.411 1 1 255 . 4 1 1 A 22 22 ARG HA H 21 3.825 3.973 -0.148 1 1 263 . 4 1 1 A 22 22 ARG C C 21 180.178 178.786 1.392 1 1 264 . 4 1 1 A 22 22 ARG CA C 21 59.821 59.391 0.430 1 1 265 . 4 1 1 A 22 22 ARG CB C 21 30.164 30.015 0.149 1 1 269 . 4 1 1 A 22 22 ARG N N 21 120.772 121.665 -0.893 1 1 271 . 4 1 1 A 23 23 LEU H H 22 8.306 7.523 0.783 1 1 272 . 4 1 1 A 23 23 LEU HA H 22 4.076 4.052 0.024 1 1 282 . 4 1 1 A 23 23 LEU C C 22 180.221 179.773 0.448 1 1 283 . 4 1 1 A 23 23 LEU CA C 22 57.541 57.954 -0.413 1 1 284 . 4 1 1 A 23 23 LEU CB C 22 42.300 41.941 0.359 1 1 288 . 4 1 1 A 23 23 LEU N N 22 116.413 119.330 -2.917 1 1 289 . 4 1 1 A 24 24 ILE H H 23 7.864 8.262 -0.398 1 1 290 . 4 1 1 A 24 24 ILE HA H 23 4.090 3.842 0.248 1 1 300 . 4 1 1 A 24 24 ILE C C 23 177.922 178.524 -0.602 1 1 301 . 4 1 1 A 24 24 ILE CA C 23 60.190 63.893 -3.703 1 1 302 . 4 1 1 A 24 24 ILE CB C 23 38.072 37.257 0.815 1 1 306 . 4 1 1 A 24 24 ILE N N 23 121.259 119.510 1.749 1 1 307 . 4 1 1 A 25 25 ARG H H 24 8.339 8.191 0.148 1 1 308 . 4 1 1 A 25 25 ARG HA H 24 3.973 3.990 -0.017 1 1 316 . 4 1 1 A 25 25 ARG C C 24 178.479 178.198 0.281 1 1 317 . 4 1 1 A 25 25 ARG CA C 24 57.337 59.308 -1.971 1 1 318 . 4 1 1 A 25 25 ARG CB C 24 28.663 30.386 -1.723 1 1 322 . 4 1 1 A 25 25 ARG N N 24 121.816 122.288 -0.472 1 1 324 . 4 1 1 A 26 26 GLU H H 25 7.133 8.532 -1.399 1 1 325 . 4 1 1 A 26 26 GLU HA H 25 4.052 4.142 -0.090 1 1 330 . 4 1 1 A 26 26 GLU C C 25 178.158 177.470 0.688 1 1 331 . 4 1 1 A 26 26 GLU CA C 25 58.367 58.097 0.270 1 1 332 . 4 1 1 A 26 26 GLU CB C 25 29.903 29.392 0.511 1 1 334 . 4 1 1 A 26 26 GLU N N 25 116.794 118.263 -1.469 1 1 335 . 4 1 1 A 27 27 GLN H H 26 7.283 8.198 -0.915 1 1 336 . 4 1 1 A 27 27 GLN HA H 26 3.888 4.335 -0.447 1 1 343 . 4 1 1 A 27 27 GLN C C 26 176.088 175.912 0.176 1 1 344 . 4 1 1 A 27 27 GLN CA C 26 57.676 57.059 0.617 1 1 345 . 4 1 1 A 27 27 GLN CB C 26 30.382 30.493 -0.111 1 1 348 . 4 1 1 A 27 27 GLN N N 26 116.373 117.965 -1.592 1 1 350 . 4 1 1 A 28 28 HIS H H 27 8.223 8.536 -0.313 1 1 351 . 4 1 1 A 28 28 HIS HA H 27 4.941 5.084 -0.143 1 1 356 . 4 1 1 A 28 28 HIS CA C 27 53.278 53.092 0.186 1 1 357 . 4 1 1 A 28 28 HIS CB C 27 30.933 29.749 1.184 1 1 360 . 4 1 1 A 28 28 HIS N N 27 115.408 116.270 -0.862 1 1 361 . 4 1 1 A 29 29 PRO HA H 28 4.562 4.334 0.228 1 1 368 . 4 1 1 A 29 29 PRO C C 28 178.046 177.651 0.395 1 1 369 . 4 1 1 A 29 29 PRO CA C 28 64.821 64.495 0.326 1 1 370 . 4 1 1 A 29 29 PRO CB C 28 32.447 31.997 0.450 1 1 373 . 4 1 1 A 30 30 THR H H 29 7.820 7.765 0.055 1 1 374 . 4 1 1 A 30 30 THR HA H 29 4.583 4.333 0.250 1 1 379 . 4 1 1 A 30 30 THR C C 29 172.723 173.321 -0.598 1 1 380 . 4 1 1 A 30 30 THR CA C 29 60.826 61.468 -0.642 1 1 381 . 4 1 1 A 30 30 THR CB C 29 68.641 69.141 -0.500 1 1 383 . 4 1 1 A 30 30 THR N N 29 106.682 107.734 -1.052 1 1 384 . 4 1 1 A 31 31 LYS H H 30 7.453 7.490 -0.037 1 1 385 . 4 1 1 A 31 31 LYS HA H 30 4.850 4.873 -0.023 1 1 394 . 4 1 1 A 31 31 LYS C C 30 174.296 174.752 -0.456 1 1 395 . 4 1 1 A 31 31 LYS CA C 30 53.944 54.660 -0.716 1 1 396 . 4 1 1 A 31 31 LYS CB C 30 36.098 36.995 -0.897 1 1 400 . 4 1 1 A 31 31 LYS N N 30 117.809 120.241 -2.432 1 1 401 . 4 1 1 A 32 32 ILE H H 31 9.265 9.410 -0.145 1 1 402 . 4 1 1 A 32 32 ILE HA H 31 4.106 4.214 -0.108 1 1 412 . 4 1 1 A 32 32 ILE CA C 31 54.606 57.558 -2.952 1 1 413 . 4 1 1 A 32 32 ILE CB C 31 38.448 38.466 -0.018 1 1 417 . 4 1 1 A 32 32 ILE N N 31 122.497 122.452 0.045 1 1 418 . 4 1 1 A 33 33 PRO HA H 32 5.252 4.823 0.429 1 1 425 . 4 1 1 A 33 33 PRO C C 32 174.652 176.619 -1.967 1 1 426 . 4 1 1 A 33 33 PRO CA C 32 61.704 62.434 -0.730 1 1 427 . 4 1 1 A 33 33 PRO CB C 32 31.873 31.943 -0.070 1 1 430 . 4 1 1 A 34 34 VAL H H 33 9.359 8.072 1.287 1 1 431 . 4 1 1 A 34 34 VAL HA H 33 5.298 5.031 0.267 1 1 439 . 4 1 1 A 34 34 VAL C C 33 173.633 174.814 -1.181 1 1 440 . 4 1 1 A 34 34 VAL CA C 33 59.830 59.487 0.343 1 1 441 . 4 1 1 A 34 34 VAL CB C 33 36.154 36.193 -0.039 1 1 444 . 4 1 1 A 34 34 VAL N N 33 124.496 116.436 8.060 1 1 445 . 4 1 1 A 35 35 ILE H H 34 8.667 9.107 -0.440 1 1 446 . 4 1 1 A 35 35 ILE HA H 34 4.867 5.004 -0.137 1 1 456 . 4 1 1 A 35 35 ILE C C 34 175.770 174.943 0.827 1 1 457 . 4 1 1 A 35 35 ILE CA C 34 56.320 60.566 -4.246 1 1 458 . 4 1 1 A 35 35 ILE CB C 34 36.909 39.776 -2.867 1 1 462 . 4 1 1 A 35 35 ILE N N 34 127.447 121.889 5.558 1 1 463 . 4 1 1 A 36 36 ILE H H 35 8.422 8.758 -0.336 1 1 464 . 4 1 1 A 36 36 ILE HA H 35 4.890 5.040 -0.150 1 1 474 . 4 1 1 A 36 36 ILE C C 35 175.098 175.891 -0.793 1 1 475 . 4 1 1 A 36 36 ILE CA C 35 60.806 60.850 -0.044 1 1 476 . 4 1 1 A 36 36 ILE CB C 35 39.357 38.185 1.172 1 1 480 . 4 1 1 A 36 36 ILE N N 35 124.267 128.812 -4.545 1 1 481 . 4 1 1 A 37 37 GLU H H 36 8.335 8.816 -0.481 1 1 482 . 4 1 1 A 37 37 GLU HA H 36 4.820 5.081 -0.261 1 1 487 . 4 1 1 A 37 37 GLU C C 36 173.502 176.023 -2.521 1 1 488 . 4 1 1 A 37 37 GLU CA C 36 54.214 54.324 -0.110 1 1 489 . 4 1 1 A 37 37 GLU CB C 36 35.547 33.355 2.192 1 1 491 . 4 1 1 A 37 37 GLU N N 36 123.296 126.646 -3.350 1 1 492 . 4 1 1 A 38 38 ARG H H 37 8.891 8.416 0.475 1 1 493 . 4 1 1 A 38 38 ARG HA H 37 2.755 3.456 -0.701 1 1 501 . 4 1 1 A 38 38 ARG C C 37 176.165 175.355 0.810 1 1 502 . 4 1 1 A 38 38 ARG CA C 37 56.235 56.117 0.118 1 1 503 . 4 1 1 A 38 38 ARG CB C 37 31.328 30.159 1.169 1 1 507 . 4 1 1 A 38 38 ARG N N 37 123.143 122.371 0.772 1 1 509 . 4 1 1 A 39 39 TYR H H 38 8.681 7.791 0.890 1 1 510 . 4 1 1 A 39 39 TYR HA H 38 4.331 4.441 -0.110 1 1 517 . 4 1 1 A 39 39 TYR C C 38 177.064 175.265 1.799 1 1 518 . 4 1 1 A 39 39 TYR CA C 38 57.769 59.160 -1.391 1 1 519 . 4 1 1 A 39 39 TYR CB C 38 39.552 38.891 0.661 1 1 522 . 4 1 1 A 39 39 TYR N N 38 128.699 123.082 5.617 1 1 523 . 4 1 1 A 40 40 LYS H H 39 8.454 7.690 0.764 1 1 524 . 4 1 1 A 40 40 LYS HA H 39 3.841 3.977 -0.136 1 1 533 . 4 1 1 A 40 40 LYS C C 39 176.290 176.667 -0.377 1 1 534 . 4 1 1 A 40 40 LYS CA C 39 58.772 56.289 2.483 1 1 535 . 4 1 1 A 40 40 LYS CB C 39 31.738 31.441 0.297 1 1 539 . 4 1 1 A 40 40 LYS N N 39 130.022 122.866 7.156 1 1 540 . 4 1 1 A 41 41 GLY H H 40 5.457 8.409 -2.952 1 1 541 . 4 1 1 A 41 41 GLY HA2 H 40 3.306 3.990 -0.684 1 1 542 . 4 1 1 A 41 41 GLY HA3 H 40 3.999 4.038 -0.039 1 1 543 . 4 1 1 A 41 41 GLY C C 40 173.426 174.056 -0.630 1 1 544 . 4 1 1 A 41 41 GLY CA C 40 44.673 45.229 -0.556 1 1 545 . 4 1 1 A 41 41 GLY N N 40 104.628 113.038 -8.410 1 1 546 . 4 1 1 A 42 42 GLU H H 41 7.440 7.803 -0.363 1 1 547 . 4 1 1 A 42 42 GLU HA H 41 4.278 4.668 -0.390 1 1 552 . 4 1 1 A 42 42 GLU C C 41 176.306 176.630 -0.324 1 1 553 . 4 1 1 A 42 42 GLU CA C 41 56.358 55.221 1.137 1 1 554 . 4 1 1 A 42 42 GLU CB C 41 31.014 31.413 -0.399 1 1 556 . 4 1 1 A 42 42 GLU N N 41 122.648 120.643 2.005 1 1 557 . 4 1 1 A 43 43 LYS H H 42 8.912 8.445 0.467 1 1 558 . 4 1 1 A 43 43 LYS HA H 42 4.680 4.583 0.097 1 1 567 . 4 1 1 A 43 43 LYS C C 42 177.063 178.510 -1.447 1 1 568 . 4 1 1 A 43 43 LYS CA C 42 55.652 56.886 -1.234 1 1 569 . 4 1 1 A 43 43 LYS CB C 42 34.871 34.077 0.794 1 1 573 . 4 1 1 A 43 43 LYS N N 42 123.569 123.223 0.346 1 1 574 . 4 1 1 A 44 44 GLN H H 43 8.446 8.147 0.299 1 1 575 . 4 1 1 A 44 44 GLN HA H 43 4.545 4.070 0.475 1 1 582 . 4 1 1 A 44 44 GLN C C 43 177.152 177.115 0.037 1 1 583 . 4 1 1 A 44 44 GLN CA C 43 57.561 58.602 -1.041 1 1 584 . 4 1 1 A 44 44 GLN CB C 43 30.671 28.814 1.857 1 1 587 . 4 1 1 A 44 44 GLN N N 43 118.990 118.843 0.147 1 1 589 . 4 1 1 A 45 45 LEU H H 44 9.043 8.066 0.977 1 1 590 . 4 1 1 A 45 45 LEU HA H 44 4.716 4.514 0.202 1 1 600 . 4 1 1 A 45 45 LEU CA C 44 53.078 53.872 -0.794 1 1 601 . 4 1 1 A 45 45 LEU CB C 44 43.614 41.712 1.902 1 1 605 . 4 1 1 A 45 45 LEU N N 44 120.375 120.550 -0.175 1 1 606 . 4 1 1 A 46 46 PRO HA H 45 4.723 4.652 0.071 1 1 613 . 4 1 1 A 46 46 PRO C C 45 175.883 176.147 -0.264 1 1 614 . 4 1 1 A 46 46 PRO CA C 45 62.005 62.266 -0.261 1 1 615 . 4 1 1 A 46 46 PRO CB C 45 32.609 32.433 0.176 1 1 618 . 4 1 1 A 47 47 VAL H H 46 8.437 8.492 -0.055 1 1 619 . 4 1 1 A 47 47 VAL HA H 46 3.914 4.436 -0.522 1 1 627 . 4 1 1 A 47 47 VAL C C 46 175.367 176.148 -0.781 1 1 628 . 4 1 1 A 47 47 VAL CA C 46 62.700 62.039 0.661 1 1 629 . 4 1 1 A 47 47 VAL CB C 46 32.927 31.460 1.467 1 1 632 . 4 1 1 A 47 47 VAL N N 46 118.440 121.634 -3.194 1 1 633 . 4 1 1 A 48 48 LEU H H 47 7.863 8.613 -0.750 1 1 634 . 4 1 1 A 48 48 LEU HA H 47 4.384 4.116 0.268 1 1 644 . 4 1 1 A 48 48 LEU C C 47 176.088 177.840 -1.752 1 1 645 . 4 1 1 A 48 48 LEU CA C 47 54.851 55.956 -1.105 1 1 646 . 4 1 1 A 48 48 LEU CB C 47 43.841 44.081 -0.240 1 1 650 . 4 1 1 A 48 48 LEU N N 47 129.127 129.312 -0.185 1 1 651 . 4 1 1 A 49 49 ASP H H 48 8.699 8.891 -0.192 1 1 652 . 4 1 1 A 49 49 ASP HA H 48 4.293 4.327 -0.034 1 1 655 . 4 1 1 A 49 49 ASP C C 48 175.121 175.778 -0.657 1 1 656 . 4 1 1 A 49 49 ASP CA C 48 55.717 57.609 -1.892 1 1 657 . 4 1 1 A 49 49 ASP CB C 48 40.260 40.934 -0.674 1 1 658 . 4 1 1 A 49 49 ASP N N 48 121.389 125.370 -3.981 1 1 659 . 4 1 1 A 50 50 LYS H H 49 7.251 7.678 -0.427 1 1 660 . 4 1 1 A 50 50 LYS HA H 49 4.540 4.737 -0.197 1 1 669 . 4 1 1 A 50 50 LYS C C 49 174.664 176.313 -1.649 1 1 670 . 4 1 1 A 50 50 LYS CA C 49 53.211 54.409 -1.198 1 1 671 . 4 1 1 A 50 50 LYS CB C 49 35.514 35.897 -0.383 1 1 675 . 4 1 1 A 50 50 LYS N N 49 118.260 116.188 2.072 1 1 676 . 4 1 1 A 51 51 THR H H 50 8.162 8.273 -0.111 1 1 677 . 4 1 1 A 51 51 THR HA H 50 4.685 4.806 -0.121 1 1 682 . 4 1 1 A 51 51 THR C C 50 171.631 174.703 -3.072 1 1 683 . 4 1 1 A 51 51 THR CA C 50 63.581 63.306 0.275 1 1 684 . 4 1 1 A 51 51 THR CB C 50 71.587 70.256 1.331 1 1 686 . 4 1 1 A 51 51 THR N N 50 112.535 114.060 -1.525 1 1 687 . 4 1 1 A 52 52 LYS H H 51 6.971 7.537 -0.566 1 1 688 . 4 1 1 A 52 52 LYS HA H 51 4.443 4.933 -0.490 1 1 697 . 4 1 1 A 52 52 LYS C C 51 175.417 175.818 -0.401 1 1 698 . 4 1 1 A 52 52 LYS CA C 51 55.209 55.225 -0.016 1 1 699 . 4 1 1 A 52 52 LYS CB C 51 33.309 34.124 -0.815 1 1 703 . 4 1 1 A 52 52 LYS N N 51 120.227 119.476 0.751 1 1 704 . 4 1 1 A 53 53 PHE H H 52 9.688 8.938 0.750 1 1 705 . 4 1 1 A 53 53 PHE HA H 52 5.675 4.976 0.699 1 1 712 . 4 1 1 A 53 53 PHE C C 52 174.348 174.618 -0.270 1 1 713 . 4 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1 1 714 . 4 1 1 A 53 53 PHE CB C 52 43.109 43.309 -0.200 1 1 716 . 4 1 1 A 53 53 PHE N N 52 124.646 121.497 3.149 1 1 717 . 4 1 1 A 54 54 LEU H H 53 8.470 9.085 -0.615 1 1 718 . 4 1 1 A 54 54 LEU HA H 53 5.044 4.840 0.204 1 1 728 . 4 1 1 A 54 54 LEU C C 53 176.144 175.767 0.377 1 1 729 . 4 1 1 A 54 54 LEU CA C 53 52.954 53.300 -0.346 1 1 730 . 4 1 1 A 54 54 LEU CB C 53 45.081 42.222 2.859 1 1 734 . 4 1 1 A 54 54 LEU N N 53 119.430 124.049 -4.619 1 1 735 . 4 1 1 A 55 55 VAL H H 54 8.802 8.658 0.144 1 1 736 . 4 1 1 A 55 55 VAL HA H 54 4.640 4.577 0.063 1 1 744 . 4 1 1 A 55 55 VAL CA C 54 58.549 59.570 -1.021 1 1 745 . 4 1 1 A 55 55 VAL CB C 54 35.342 31.966 3.376 1 1 748 . 4 1 1 A 55 55 VAL N N 54 123.841 126.035 -2.194 1 1 749 . 4 1 1 A 56 56 PRO HA H 55 4.439 4.682 -0.243 1 1 756 . 4 1 1 A 56 56 PRO C C 55 176.666 176.553 0.113 1 1 757 . 4 1 1 A 56 56 PRO CA C 55 64.256 62.545 1.711 1 1 758 . 4 1 1 A 56 56 PRO CB C 55 32.783 32.217 0.566 1 1 761 . 4 1 1 A 57 57 ASP H H 56 8.412 7.869 0.543 1 1 762 . 4 1 1 A 57 57 ASP HA H 56 3.848 4.614 -0.766 1 1 765 . 4 1 1 A 57 57 ASP C C 56 175.417 176.673 -1.256 1 1 766 . 4 1 1 A 57 57 ASP CA C 56 56.616 53.785 2.831 1 1 767 . 4 1 1 A 57 57 ASP CB C 56 40.410 40.343 0.067 1 1 768 . 4 1 1 A 57 57 ASP N N 56 120.415 122.124 -1.709 1 1 769 . 4 1 1 A 58 58 HIS H H 57 7.373 7.986 -0.613 1 1 770 . 4 1 1 A 58 58 HIS HA H 57 4.770 4.873 -0.103 1 1 775 . 4 1 1 A 58 58 HIS C C 57 176.594 174.114 2.480 1 1 776 . 4 1 1 A 58 58 HIS CA C 57 55.584 55.217 0.367 1 1 777 . 4 1 1 A 58 58 HIS CB C 57 30.628 31.381 -0.753 1 1 780 . 4 1 1 A 58 58 HIS N N 57 113.439 114.452 -1.013 1 1 781 . 4 1 1 A 59 59 VAL H H 58 7.249 7.724 -0.475 1 1 782 . 4 1 1 A 59 59 VAL HA H 58 3.903 4.835 -0.932 1 1 790 . 4 1 1 A 59 59 VAL C C 58 175.014 173.785 1.229 1 1 791 . 4 1 1 A 59 59 VAL CA C 58 62.726 59.006 3.720 1 1 792 . 4 1 1 A 59 59 VAL CB C 58 32.190 36.543 -4.353 1 1 795 . 4 1 1 A 59 59 VAL N N 58 122.597 115.945 6.652 1 1 796 . 4 1 1 A 60 60 ASN H H 59 8.677 8.403 0.274 1 1 797 . 4 1 1 A 60 60 ASN HA H 59 5.187 5.179 0.008 1 1 802 . 4 1 1 A 60 60 ASN C C 59 176.477 177.090 -0.613 1 1 803 . 4 1 1 A 60 60 ASN CA C 59 51.181 51.300 -0.119 1 1 804 . 4 1 1 A 60 60 ASN CB C 59 39.947 41.193 -1.246 1 1 806 . 4 1 1 A 60 60 ASN N N 59 122.962 119.146 3.816 1 1 808 . 4 1 1 A 61 61 MET H H 60 8.038 8.683 -0.645 1 1 809 . 4 1 1 A 61 61 MET HA H 60 4.426 4.210 0.216 1 1 817 . 4 1 1 A 61 61 MET C C 60 177.996 178.524 -0.528 1 1 818 . 4 1 1 A 61 61 MET CA C 60 57.118 58.247 -1.129 1 1 819 . 4 1 1 A 61 61 MET CB C 60 29.998 32.061 -2.063 1 1 822 . 4 1 1 A 61 61 MET N N 60 116.814 120.853 -4.039 1 1 823 . 4 1 1 A 62 62 SER H H 61 8.401 8.198 0.203 1 1 824 . 4 1 1 A 62 62 SER HA H 61 4.132 4.128 0.004 1 1 827 . 4 1 1 A 62 62 SER C C 61 177.255 177.200 0.055 1 1 828 . 4 1 1 A 62 62 SER CA C 61 61.559 61.474 0.085 1 1 829 . 4 1 1 A 62 62 SER CB C 61 62.430 62.996 -0.566 1 1 830 . 4 1 1 A 62 62 SER N N 61 114.109 116.452 -2.343 1 1 831 . 4 1 1 A 63 63 GLU H H 62 8.014 8.050 -0.036 1 1 832 . 4 1 1 A 63 63 GLU HA H 62 4.016 3.982 0.034 1 1 837 . 4 1 1 A 63 63 GLU C C 62 178.327 179.014 -0.687 1 1 838 . 4 1 1 A 63 63 GLU CA C 62 58.787 59.590 -0.803 1 1 839 . 4 1 1 A 63 63 GLU CB C 62 29.814 29.285 0.529 1 1 841 . 4 1 1 A 63 63 GLU N N 62 122.806 120.993 1.813 1 1 842 . 4 1 1 A 64 64 LEU H H 63 8.254 8.205 0.049 1 1 843 . 4 1 1 A 64 64 LEU HA H 63 3.932 4.006 -0.074 1 1 853 . 4 1 1 A 64 64 LEU C C 63 178.029 178.427 -0.398 1 1 854 . 4 1 1 A 64 64 LEU CA C 63 57.986 58.296 -0.310 1 1 855 . 4 1 1 A 64 64 LEU CB C 63 41.377 41.899 -0.522 1 1 859 . 4 1 1 A 64 64 LEU N N 63 120.526 121.903 -1.377 1 1 860 . 4 1 1 A 65 65 ILE H H 64 8.415 8.457 -0.042 1 1 861 . 4 1 1 A 65 65 ILE HA H 64 3.377 3.683 -0.306 1 1 871 . 4 1 1 A 65 65 ILE C C 64 177.078 177.862 -0.784 1 1 872 . 4 1 1 A 65 65 ILE CA C 64 66.699 65.705 0.994 1 1 873 . 4 1 1 A 65 65 ILE CB C 64 38.128 37.843 0.285 1 1 877 . 4 1 1 A 65 65 ILE N N 64 118.349 120.167 -1.818 1 1 878 . 4 1 1 A 66 66 LYS H H 65 7.366 8.098 -0.732 1 1 879 . 4 1 1 A 66 66 LYS HA H 65 3.696 4.020 -0.324 1 1 888 . 4 1 1 A 66 66 LYS C C 65 179.260 179.553 -0.293 1 1 889 . 4 1 1 A 66 66 LYS CA C 65 60.593 59.876 0.717 1 1 890 . 4 1 1 A 66 66 LYS CB C 65 32.421 32.421 0.000 1 1 894 . 4 1 1 A 66 66 LYS N N 65 118.334 119.128 -0.794 1 1 895 . 4 1 1 A 67 67 ILE H H 66 8.179 8.344 -0.165 1 1 896 . 4 1 1 A 67 67 ILE HA H 66 3.546 3.678 -0.132 1 1 906 . 4 1 1 A 67 67 ILE C C 66 178.784 178.601 0.183 1 1 907 . 4 1 1 A 67 67 ILE CA C 66 65.488 65.219 0.269 1 1 908 . 4 1 1 A 67 67 ILE CB C 66 38.593 37.713 0.880 1 1 912 . 4 1 1 A 67 67 ILE N N 66 119.791 120.496 -0.705 1 1 913 . 4 1 1 A 68 68 ILE H H 67 8.279 8.384 -0.105 1 1 914 . 4 1 1 A 68 68 ILE HA H 67 3.391 3.442 -0.051 1 1 924 . 4 1 1 A 68 68 ILE C C 67 177.403 177.605 -0.202 1 1 925 . 4 1 1 A 68 68 ILE CA C 67 63.144 64.904 -1.760 1 1 926 . 4 1 1 A 68 68 ILE CB C 67 35.269 37.492 -2.223 1 1 930 . 4 1 1 A 68 68 ILE N N 67 120.267 121.070 -0.803 1 1 931 . 4 1 1 A 69 69 ARG H H 68 8.454 8.196 0.258 1 1 932 . 4 1 1 A 69 69 ARG HA H 68 2.966 3.414 -0.448 1 1 939 . 4 1 1 A 69 69 ARG C C 68 178.385 177.991 0.394 1 1 940 . 4 1 1 A 69 69 ARG CA C 68 60.642 58.509 2.133 1 1 941 . 4 1 1 A 69 69 ARG CB C 68 30.442 29.714 0.728 1 1 944 . 4 1 1 A 69 69 ARG N N 68 118.881 120.255 -1.374 1 1 945 . 4 1 1 A 70 70 ARG H H 69 7.492 7.621 -0.129 1 1 946 . 4 1 1 A 70 70 ARG HA H 69 4.164 4.068 0.096 1 1 954 . 4 1 1 A 70 70 ARG C C 69 180.253 179.357 0.896 1 1 955 . 4 1 1 A 70 70 ARG CA C 69 58.510 59.443 -0.933 1 1 956 . 4 1 1 A 70 70 ARG CB C 69 29.587 30.288 -0.701 1 1 960 . 4 1 1 A 70 70 ARG N N 69 116.411 118.673 -2.262 1 1 962 . 4 1 1 A 71 71 ARG H H 70 8.086 8.092 -0.006 1 1 963 . 4 1 1 A 71 71 ARG HA H 70 4.025 4.070 -0.045 1 1 970 . 4 1 1 A 71 71 ARG C C 70 178.558 178.186 0.372 1 1 971 . 4 1 1 A 71 71 ARG CA C 70 59.428 59.047 0.381 1 1 972 . 4 1 1 A 71 71 ARG CB C 70 30.235 29.971 0.264 1 1 975 . 4 1 1 A 71 71 ARG N N 70 122.779 119.643 3.136 1 1 976 . 4 1 1 A 72 72 LEU H H 71 7.755 7.625 0.130 1 1 977 . 4 1 1 A 72 72 LEU HA H 71 4.081 4.097 -0.016 1 1 987 . 4 1 1 A 72 72 LEU C C 71 174.852 176.535 -1.683 1 1 988 . 4 1 1 A 72 72 LEU CA C 71 55.060 55.127 -0.067 1 1 989 . 4 1 1 A 72 72 LEU CB C 71 43.109 41.936 1.173 1 1 993 . 4 1 1 A 72 72 LEU N N 71 116.551 117.665 -1.114 1 1 994 . 4 1 1 A 73 73 GLN H H 72 7.740 7.977 -0.237 1 1 995 . 4 1 1 A 73 73 GLN HA H 72 3.853 3.952 -0.099 1 1 1002 . 4 1 1 A 73 73 GLN C C 72 175.619 174.870 0.749 1 1 1003 . 4 1 1 A 73 73 GLN CA C 72 56.273 56.543 -0.270 1 1 1004 . 4 1 1 A 73 73 GLN CB C 72 25.939 26.428 -0.489 1 1 1007 . 4 1 1 A 73 73 GLN N N 72 114.737 117.864 -3.127 1 1 1009 . 4 1 1 A 74 74 LEU H H 73 7.525 7.469 0.056 1 1 1010 . 4 1 1 A 74 74 LEU HA H 73 4.242 4.396 -0.154 1 1 1020 . 4 1 1 A 74 74 LEU C C 73 178.611 175.768 2.843 1 1 1021 . 4 1 1 A 74 74 LEU CA C 73 54.382 54.523 -0.141 1 1 1022 . 4 1 1 A 74 74 LEU CB C 73 41.995 42.094 -0.099 1 1 1026 . 4 1 1 A 74 74 LEU N N 73 114.861 120.487 -5.626 1 1 1027 . 4 1 1 A 75 75 ASN H H 74 8.970 8.661 0.309 1 1 1028 . 4 1 1 A 75 75 ASN HA H 74 4.694 5.072 -0.378 1 1 1033 . 4 1 1 A 75 75 ASN C C 74 176.527 175.920 0.607 1 1 1034 . 4 1 1 A 75 75 ASN CA C 74 52.686 51.443 1.243 1 1 1035 . 4 1 1 A 75 75 ASN CB C 74 39.583 41.316 -1.733 1 1 1037 . 4 1 1 A 75 75 ASN N N 74 121.274 117.807 3.467 1 1 1039 . 4 1 1 A 76 76 ALA H H 75 8.697 8.532 0.165 1 1 1040 . 4 1 1 A 76 76 ALA HA H 75 3.966 4.035 -0.069 1 1 1044 . 4 1 1 A 76 76 ALA C C 75 178.002 179.577 -1.575 1 1 1045 . 4 1 1 A 76 76 ALA CA C 75 54.797 55.347 -0.550 1 1 1046 . 4 1 1 A 76 76 ALA CB C 75 18.669 18.069 0.600 1 1 1047 . 4 1 1 A 76 76 ALA N N 75 123.590 120.994 2.596 1 1 1048 . 4 1 1 A 77 77 ASN H H 76 8.344 8.336 0.008 1 1 1049 . 4 1 1 A 77 77 ASN HA H 76 4.585 4.478 0.107 1 1 1054 . 4 1 1 A 77 77 ASN C C 76 175.371 176.052 -0.681 1 1 1055 . 4 1 1 A 77 77 ASN CA C 76 53.183 56.370 -3.187 1 1 1056 . 4 1 1 A 77 77 ASN CB C 76 38.277 39.236 -0.959 1 1 1058 . 4 1 1 A 77 77 ASN N N 76 112.004 117.281 -5.277 1 1 1060 . 4 1 1 A 78 78 GLN H H 77 7.532 7.585 -0.053 1 1 1061 . 4 1 1 A 78 78 GLN HA H 77 4.281 4.554 -0.273 1 1 1068 . 4 1 1 A 78 78 GLN C C 77 175.001 174.783 0.218 1 1 1069 . 4 1 1 A 78 78 GLN CA C 77 55.875 55.602 0.273 1 1 1070 . 4 1 1 A 78 78 GLN CB C 77 30.227 29.913 0.314 1 1 1073 . 4 1 1 A 78 78 GLN N N 77 120.237 119.066 1.171 1 1 1075 . 4 1 1 A 79 79 ALA H H 78 8.732 8.723 0.009 1 1 1076 . 4 1 1 A 79 79 ALA HA H 78 4.183 5.118 -0.935 1 1 1080 . 4 1 1 A 79 79 ALA C C 78 176.367 176.386 -0.019 1 1 1081 . 4 1 1 A 79 79 ALA CA C 78 52.798 51.204 1.594 1 1 1082 . 4 1 1 A 79 79 ALA CB C 78 20.051 21.063 -1.012 1 1 1083 . 4 1 1 A 79 79 ALA N N 78 130.399 129.249 1.150 1 1 1084 . 4 1 1 A 80 80 PHE H H 79 7.603 8.479 -0.876 1 1 1085 . 4 1 1 A 80 80 PHE HA H 79 4.449 5.208 -0.759 1 1 1093 . 4 1 1 A 80 80 PHE C C 79 171.709 173.002 -1.293 1 1 1094 . 4 1 1 A 80 80 PHE CA C 79 59.101 57.258 1.843 1 1 1095 . 4 1 1 A 80 80 PHE CB C 79 42.282 42.672 -0.390 1 1 1099 . 4 1 1 A 80 80 PHE N N 79 118.988 122.215 -3.227 1 1 1100 . 4 1 1 A 81 81 PHE H H 80 8.507 9.205 -0.698 1 1 1101 . 4 1 1 A 81 81 PHE HA H 80 4.421 4.478 -0.057 1 1 1109 . 4 1 1 A 81 81 PHE C C 80 172.644 173.804 -1.160 1 1 1110 . 4 1 1 A 81 81 PHE CA C 80 56.711 55.889 0.822 1 1 1111 . 4 1 1 A 81 81 PHE CB C 80 41.880 42.760 -0.880 1 1 1115 . 4 1 1 A 81 81 PHE N N 80 126.042 124.801 1.241 1 1 1116 . 4 1 1 A 82 82 LEU H H 81 8.199 8.656 -0.457 1 1 1117 . 4 1 1 A 82 82 LEU HA H 81 4.883 4.942 -0.059 1 1 1127 . 4 1 1 A 82 82 LEU C C 81 174.440 174.685 -0.245 1 1 1128 . 4 1 1 A 82 82 LEU CA C 81 53.153 54.151 -0.998 1 1 1129 . 4 1 1 A 82 82 LEU CB C 81 45.520 43.413 2.107 1 1 1133 . 4 1 1 A 82 82 LEU N N 81 121.512 125.503 -3.991 1 1 1134 . 4 1 1 A 83 83 LEU H H 82 9.349 9.898 -0.549 1 1 1135 . 4 1 1 A 83 83 LEU HA H 82 4.810 5.067 -0.257 1 1 1145 . 4 1 1 A 83 83 LEU C C 82 177.075 175.574 1.501 1 1 1146 . 4 1 1 A 83 83 LEU CA C 82 54.122 53.433 0.689 1 1 1147 . 4 1 1 A 83 83 LEU CB C 82 43.394 42.402 0.992 1 1 1151 . 4 1 1 A 83 83 LEU N N 82 125.253 128.862 -3.609 1 1 1152 . 4 1 1 A 84 84 VAL H H 83 8.681 9.064 -0.383 1 1 1153 . 4 1 1 A 84 84 VAL HA H 83 4.411 4.256 0.155 1 1 1161 . 4 1 1 A 84 84 VAL C C 83 175.797 176.107 -0.310 1 1 1162 . 4 1 1 A 84 84 VAL CA C 83 61.630 61.706 -0.076 1 1 1163 . 4 1 1 A 84 84 VAL CB C 83 33.647 31.375 2.272 1 1 1166 . 4 1 1 A 84 84 VAL N N 83 123.543 125.135 -1.592 1 1 1167 . 4 1 1 A 85 85 ASN H H 84 9.622 9.322 0.300 1 1 1168 . 4 1 1 A 85 85 ASN HA H 84 4.399 4.627 -0.228 1 1 1173 . 4 1 1 A 85 85 ASN C C 84 175.042 174.999 0.043 1 1 1174 . 4 1 1 A 85 85 ASN CA C 84 54.610 54.176 0.434 1 1 1175 . 4 1 1 A 85 85 ASN CB C 84 37.927 36.852 1.075 1 1 1177 . 4 1 1 A 85 85 ASN N N 84 125.848 127.280 -1.432 1 1 1179 . 4 1 1 A 86 86 GLY H H 85 8.551 8.335 0.216 1 1 1180 . 4 1 1 A 86 86 GLY HA2 H 85 3.368 3.918 -0.550 1 1 1181 . 4 1 1 A 86 86 GLY HA3 H 85 4.064 3.936 0.128 1 1 1182 . 4 1 1 A 86 86 GLY C C 85 173.524 173.590 -0.066 1 1 1183 . 4 1 1 A 86 86 GLY CA C 85 45.588 45.292 0.296 1 1 1184 . 4 1 1 A 86 86 GLY N N 85 101.093 104.979 -3.886 1 1 1185 . 4 1 1 A 87 87 HIS H H 86 7.906 7.351 0.555 1 1 1186 . 4 1 1 A 87 87 HIS HA H 86 5.003 5.198 -0.195 1 1 1191 . 4 1 1 A 87 87 HIS C C 86 173.910 174.296 -0.386 1 1 1192 . 4 1 1 A 87 87 HIS CA C 86 54.213 53.664 0.549 1 1 1193 . 4 1 1 A 87 87 HIS CB C 86 31.482 32.925 -1.443 1 1 1196 . 4 1 1 A 87 87 HIS N N 86 117.253 115.536 1.717 1 1 1197 . 4 1 1 A 88 88 SER H H 87 8.846 8.956 -0.110 1 1 1198 . 4 1 1 A 88 88 SER HA H 87 4.702 4.471 0.231 1 1 1201 . 4 1 1 A 88 88 SER C C 87 175.739 175.187 0.552 1 1 1202 . 4 1 1 A 88 88 SER CA C 87 58.245 58.116 0.129 1 1 1203 . 4 1 1 A 88 88 SER CB C 87 63.764 64.921 -1.157 1 1 1204 . 4 1 1 A 88 88 SER N N 87 117.469 115.280 2.189 1 1 1205 . 4 1 1 A 89 89 MET H H 88 9.174 8.461 0.713 1 1 1206 . 4 1 1 A 89 89 MET HA H 88 4.820 4.945 -0.125 1 1 1214 . 4 1 1 A 89 89 MET C C 88 176.294 177.011 -0.717 1 1 1215 . 4 1 1 A 89 89 MET CA C 88 54.853 54.025 0.828 1 1 1216 . 4 1 1 A 89 89 MET CB C 88 33.183 32.053 1.130 1 1 1219 . 4 1 1 A 89 89 MET N N 88 125.111 118.348 6.763 1 1 1220 . 4 1 1 A 90 90 VAL H H 89 8.217 8.099 0.118 1 1 1221 . 4 1 1 A 90 90 VAL HA H 89 4.063 3.849 0.214 1 1 1229 . 4 1 1 A 90 90 VAL C C 89 176.249 176.174 0.075 1 1 1230 . 4 1 1 A 90 90 VAL CA C 89 63.377 65.137 -1.760 1 1 1231 . 4 1 1 A 90 90 VAL CB C 89 32.473 31.426 1.047 1 1 1234 . 4 1 1 A 90 90 VAL N N 89 120.477 120.751 -0.274 1 1 1235 . 4 1 1 A 91 91 SER H H 90 8.356 8.004 0.352 1 1 1236 . 4 1 1 A 91 91 SER HA H 90 4.614 5.003 -0.389 1 1 1239 . 4 1 1 A 91 91 SER C C 90 175.841 172.257 3.584 1 1 1240 . 4 1 1 A 91 91 SER CA C 90 57.860 57.760 0.100 1 1 1241 . 4 1 1 A 91 91 SER CB C 90 63.398 63.916 -0.518 1 1 1242 . 4 1 1 A 91 91 SER N N 90 116.676 116.940 -0.264 1 1 1243 . 4 1 1 A 92 92 VAL H H 91 8.158 8.947 -0.789 1 1 1244 . 4 1 1 A 92 92 VAL HA H 91 4.245 4.693 -0.448 1 1 1252 . 4 1 1 A 92 92 VAL C C 91 175.856 175.498 0.358 1 1 1253 . 4 1 1 A 92 92 VAL CA C 91 63.121 61.403 1.718 1 1 1254 . 4 1 1 A 92 92 VAL CB C 91 31.872 32.959 -1.087 1 1 1257 . 4 1 1 A 92 92 VAL N N 91 119.994 127.950 -7.956 1 1 1258 . 4 1 1 A 93 93 SER H H 92 8.368 8.847 -0.479 1 1 1259 . 4 1 1 A 93 93 SER HA H 92 4.581 4.758 -0.177 1 1 1262 . 4 1 1 A 93 93 SER C C 92 174.154 173.494 0.660 1 1 1263 . 4 1 1 A 93 93 SER CA C 92 57.706 57.294 0.412 1 1 1264 . 4 1 1 A 93 93 SER CB C 92 63.126 64.122 -0.996 1 1 1265 . 4 1 1 A 93 93 SER N N 92 116.504 126.384 -9.880 1 1 1266 . 4 1 1 A 94 94 THR H H 93 7.427 7.518 -0.091 1 1 1267 . 4 1 1 A 94 94 THR HA H 93 4.464 4.655 -0.191 1 1 1272 . 4 1 1 A 94 94 THR CA C 93 61.032 59.199 1.833 1 1 1273 . 4 1 1 A 94 94 THR CB C 93 70.505 71.612 -1.107 1 1 1275 . 4 1 1 A 94 94 THR N N 93 119.172 115.784 3.388 1 1 1276 . 4 1 1 A 95 95 PRO HA H 94 4.426 4.715 -0.289 1 1 1283 . 4 1 1 A 95 95 PRO C C 94 178.692 178.000 0.692 1 1 1284 . 4 1 1 A 95 95 PRO CA C 94 62.921 62.680 0.241 1 1 1285 . 4 1 1 A 95 95 PRO CB C 94 32.774 32.586 0.188 1 1 1288 . 4 1 1 A 96 96 ILE H H 95 9.324 9.034 0.290 1 1 1289 . 4 1 1 A 96 96 ILE HA H 95 3.956 4.005 -0.049 1 1 1299 . 4 1 1 A 96 96 ILE C C 95 176.415 176.927 -0.512 1 1 1300 . 4 1 1 A 96 96 ILE CA C 95 63.880 63.511 0.369 1 1 1301 . 4 1 1 A 96 96 ILE CB C 95 38.055 38.013 0.042 1 1 1305 . 4 1 1 A 96 96 ILE N N 95 123.862 125.475 -1.613 1 1 1306 . 4 1 1 A 97 97 SER H H 96 8.211 8.423 -0.212 1 1 1307 . 4 1 1 A 97 97 SER HA H 96 3.978 4.077 -0.099 1 1 1310 . 4 1 1 A 97 97 SER C C 96 176.494 177.316 -0.822 1 1 1311 . 4 1 1 A 97 97 SER CA C 96 61.576 61.405 0.171 1 1 1312 . 4 1 1 A 97 97 SER CB C 96 61.262 62.303 -1.041 1 1 1313 . 4 1 1 A 97 97 SER N N 96 116.529 117.418 -0.889 1 1 1314 . 4 1 1 A 98 98 GLU H H 97 7.329 7.905 -0.576 1 1 1315 . 4 1 1 A 98 98 GLU HA H 97 4.290 4.237 0.053 1 1 1320 . 4 1 1 A 98 98 GLU C C 97 179.288 178.882 0.406 1 1 1321 . 4 1 1 A 98 98 GLU CA C 97 58.705 59.186 -0.481 1 1 1322 . 4 1 1 A 98 98 GLU CB C 97 29.791 30.309 -0.518 1 1 1324 . 4 1 1 A 98 98 GLU N N 97 122.955 122.912 0.043 1 1 1325 . 4 1 1 A 99 99 VAL H H 98 7.386 8.328 -0.942 1 1 1326 . 4 1 1 A 99 99 VAL HA H 98 3.815 3.757 0.058 1 1 1334 . 4 1 1 A 99 99 VAL C C 98 177.662 177.971 -0.309 1 1 1335 . 4 1 1 A 99 99 VAL CA C 98 65.774 66.125 -0.351 1 1 1336 . 4 1 1 A 99 99 VAL CB C 98 32.047 31.701 0.346 1 1 1339 . 4 1 1 A 99 99 VAL N N 98 120.888 120.731 0.157 1 1 1340 . 4 1 1 A 100 100 TYR H H 99 8.984 7.736 1.248 1 1 1341 . 4 1 1 A 100 100 TYR HA H 99 4.013 4.280 -0.267 1 1 1348 . 4 1 1 A 100 100 TYR C C 99 176.355 178.165 -1.810 1 1 1349 . 4 1 1 A 100 100 TYR CA C 99 62.118 60.962 1.156 1 1 1350 . 4 1 1 A 100 100 TYR CB C 99 38.921 38.453 0.468 1 1 1353 . 4 1 1 A 100 100 TYR N N 99 118.874 120.750 -1.876 1 1 1354 . 4 1 1 A 101 101 GLU H H 100 7.433 8.787 -1.354 1 1 1355 . 4 1 1 A 101 101 GLU HA H 100 3.833 4.234 -0.401 1 1 1360 . 4 1 1 A 101 101 GLU C C 100 177.674 176.842 0.832 1 1 1361 . 4 1 1 A 101 101 GLU CA C 100 58.895 58.101 0.794 1 1 1362 . 4 1 1 A 101 101 GLU CB C 100 29.577 28.783 0.794 1 1 1364 . 4 1 1 A 101 101 GLU N N 100 114.383 117.667 -3.284 1 1 1365 . 4 1 1 A 102 102 SER H H 101 7.423 7.997 -0.574 1 1 1366 . 4 1 1 A 102 102 SER HA H 101 4.552 4.721 -0.169 1 1 1369 . 4 1 1 A 102 102 SER C C 101 176.554 174.735 1.819 1 1 1370 . 4 1 1 A 102 102 SER CA C 101 60.200 58.406 1.794 1 1 1371 . 4 1 1 A 102 102 SER CB C 101 64.828 64.236 0.592 1 1 1372 . 4 1 1 A 102 102 SER N N 101 108.722 115.266 -6.544 1 1 1373 . 4 1 1 A 103 103 GLU H H 102 8.488 7.783 0.705 1 1 1374 . 4 1 1 A 103 103 GLU HA H 102 4.752 4.505 0.247 1 1 1379 . 4 1 1 A 103 103 GLU C C 102 176.653 176.341 0.312 1 1 1380 . 4 1 1 A 103 103 GLU CA C 102 55.464 57.364 -1.900 1 1 1381 . 4 1 1 A 103 103 GLU CB C 102 30.611 32.176 -1.565 1 1 1383 . 4 1 1 A 103 103 GLU N N 102 116.116 118.671 -2.555 1 1 1384 . 4 1 1 A 104 104 ARG H H 103 7.511 7.653 -0.142 1 1 1385 . 4 1 1 A 104 104 ARG HA H 103 4.241 4.126 0.115 1 1 1392 . 4 1 1 A 104 104 ARG C C 103 174.634 174.912 -0.278 1 1 1393 . 4 1 1 A 104 104 ARG CA C 103 56.926 56.131 0.795 1 1 1394 . 4 1 1 A 104 104 ARG CB C 103 29.713 29.845 -0.132 1 1 1397 . 4 1 1 A 104 104 ARG N N 103 117.180 118.145 -0.965 1 1 1398 . 4 1 1 A 105 105 ASP H H 104 9.069 8.085 0.984 1 1 1399 . 4 1 1 A 105 105 ASP HA H 104 4.774 4.965 -0.191 1 1 1402 . 4 1 1 A 105 105 ASP C C 104 177.460 176.522 0.938 1 1 1403 . 4 1 1 A 105 105 ASP CA C 104 53.852 51.947 1.905 1 1 1404 . 4 1 1 A 105 105 ASP CB C 104 43.424 44.134 -0.710 1 1 1405 . 4 1 1 A 105 105 ASP N N 104 123.349 122.720 0.629 1 1 1406 . 4 1 1 A 106 106 GLU H H 105 8.982 8.877 0.105 1 1 1407 . 4 1 1 A 106 106 GLU HA H 105 4.199 4.002 0.197 1 1 1412 . 4 1 1 A 106 106 GLU C C 105 177.398 178.104 -0.706 1 1 1413 . 4 1 1 A 106 106 GLU CA C 105 59.413 59.446 -0.033 1 1 1414 . 4 1 1 A 106 106 GLU CB C 105 29.983 29.303 0.680 1 1 1416 . 4 1 1 A 106 106 GLU N N 105 125.197 123.527 1.670 1 1 1417 . 4 1 1 A 107 107 ASP H H 106 9.873 8.025 1.848 1 1 1418 . 4 1 1 A 107 107 ASP HA H 106 4.211 4.276 -0.065 1 1 1421 . 4 1 1 A 107 107 ASP C C 106 175.775 176.809 -1.034 1 1 1422 . 4 1 1 A 107 107 ASP CA C 106 54.698 54.920 -0.222 1 1 1423 . 4 1 1 A 107 107 ASP CB C 106 40.187 41.646 -1.459 1 1 1424 . 4 1 1 A 107 107 ASP N N 106 118.717 116.684 2.033 1 1 1425 . 4 1 1 A 108 108 GLY H H 107 7.971 7.997 -0.026 1 1 1426 . 4 1 1 A 108 108 GLY HA2 H 107 3.431 3.853 -0.422 1 1 1427 . 4 1 1 A 108 108 GLY HA3 H 107 4.526 3.904 0.622 1 1 1428 . 4 1 1 A 108 108 GLY C C 107 175.138 174.180 0.958 1 1 1429 . 4 1 1 A 108 108 GLY CA C 107 45.029 45.455 -0.426 1 1 1430 . 4 1 1 A 108 108 GLY N N 107 105.017 108.854 -3.837 1 1 1431 . 4 1 1 A 109 109 PHE H H 108 9.799 8.192 1.607 1 1 1432 . 4 1 1 A 109 109 PHE HA H 108 4.607 4.651 -0.044 1 1 1440 . 4 1 1 A 109 109 PHE C C 108 175.171 174.994 0.177 1 1 1441 . 4 1 1 A 109 109 PHE CA C 108 60.222 56.944 3.278 1 1 1442 . 4 1 1 A 109 109 PHE CB C 108 40.433 41.282 -0.849 1 1 1446 . 4 1 1 A 109 109 PHE N N 108 123.309 118.548 4.761 1 1 1447 . 4 1 1 A 110 110 LEU H H 109 8.061 8.551 -0.490 1 1 1448 . 4 1 1 A 110 110 LEU HA H 109 5.022 4.371 0.651 1 1 1458 . 4 1 1 A 110 110 LEU C C 109 174.033 175.991 -1.958 1 1 1459 . 4 1 1 A 110 110 LEU CA C 109 53.539 54.856 -1.317 1 1 1460 . 4 1 1 A 110 110 LEU CB C 109 45.284 42.344 2.940 1 1 1464 . 4 1 1 A 110 110 LEU N N 109 119.999 125.064 -5.065 1 1 1465 . 4 1 1 A 111 111 TYR H H 110 9.363 9.248 0.115 1 1 1466 . 4 1 1 A 111 111 TYR HA H 110 4.906 5.028 -0.122 1 1 1473 . 4 1 1 A 111 111 TYR C C 110 176.538 174.845 1.693 1 1 1474 . 4 1 1 A 111 111 TYR CA C 110 59.335 56.677 2.658 1 1 1475 . 4 1 1 A 111 111 TYR CB C 110 39.485 39.906 -0.421 1 1 1478 . 4 1 1 A 111 111 TYR N N 110 126.322 123.995 2.327 1 1 1479 . 4 1 1 A 112 112 MET H H 111 9.496 8.467 1.029 1 1 1480 . 4 1 1 A 112 112 MET HA H 111 5.522 5.276 0.246 1 1 1488 . 4 1 1 A 112 112 MET C C 111 175.676 174.278 1.398 1 1 1489 . 4 1 1 A 112 112 MET CA C 111 54.216 54.495 -0.279 1 1 1490 . 4 1 1 A 112 112 MET CB C 111 36.821 36.929 -0.108 1 1 1493 . 4 1 1 A 112 112 MET N N 111 119.003 123.813 -4.810 1 1 1494 . 4 1 1 A 113 113 VAL H H 112 8.749 8.805 -0.056 1 1 1495 . 4 1 1 A 113 113 VAL HA H 112 5.967 4.993 0.974 1 1 1503 . 4 1 1 A 113 113 VAL C C 112 174.893 175.283 -0.390 1 1 1504 . 4 1 1 A 113 113 VAL CA C 112 58.896 61.300 -2.404 1 1 1505 . 4 1 1 A 113 113 VAL CB C 112 36.149 33.543 2.606 1 1 1508 . 4 1 1 A 113 113 VAL N N 112 119.658 122.892 -3.234 1 1 1509 . 4 1 1 A 114 114 TYR H H 113 8.210 8.565 -0.355 1 1 1510 . 4 1 1 A 114 114 TYR HA H 113 6.141 6.049 0.092 1 1 1517 . 4 1 1 A 114 114 TYR C C 113 173.353 173.653 -0.300 1 1 1518 . 4 1 1 A 114 114 TYR CA C 113 54.161 54.989 -0.828 1 1 1519 . 4 1 1 A 114 114 TYR CB C 113 43.538 42.179 1.359 1 1 1522 . 4 1 1 A 114 114 TYR N N 113 118.947 123.681 -4.734 1 1 1523 . 4 1 1 A 115 115 ALA H H 114 8.483 8.804 -0.321 1 1 1524 . 4 1 1 A 115 115 ALA HA H 114 4.762 4.711 0.051 1 1 1528 . 4 1 1 A 115 115 ALA C C 114 176.033 177.026 -0.993 1 1 1529 . 4 1 1 A 115 115 ALA CA C 114 51.223 51.188 0.035 1 1 1530 . 4 1 1 A 115 115 ALA CB C 114 24.521 22.847 1.674 1 1 1531 . 4 1 1 A 115 115 ALA N N 114 119.557 121.502 -1.945 1 1 1532 . 4 1 1 A 116 116 SER H H 115 9.835 8.608 1.227 1 1 1533 . 4 1 1 A 116 116 SER HA H 115 4.497 5.091 -0.594 1 1 1536 . 4 1 1 A 116 116 SER C C 115 172.664 173.944 -1.280 1 1 1537 . 4 1 1 A 116 116 SER CA C 115 58.669 58.800 -0.131 1 1 1538 . 4 1 1 A 116 116 SER CB C 115 63.570 63.446 0.124 1 1 1539 . 4 1 1 A 116 116 SER N N 115 114.435 112.962 1.473 1 1 1540 . 4 1 1 A 117 117 GLN H H 116 7.180 7.571 -0.391 1 1 1541 . 4 1 1 A 117 117 GLN HA H 116 4.460 4.964 -0.504 1 1 1548 . 4 1 1 A 117 117 GLN C C 116 172.901 175.113 -2.212 1 1 1549 . 4 1 1 A 117 117 GLN CA C 116 53.974 55.364 -1.390 1 1 1550 . 4 1 1 A 117 117 GLN CB C 116 32.192 32.407 -0.215 1 1 1553 . 4 1 1 A 117 117 GLN N N 116 116.449 120.253 -3.804 1 1 1555 . 4 1 1 A 118 118 GLU H H 117 7.878 8.733 -0.855 1 1 1556 . 4 1 1 A 118 118 GLU HA H 117 3.259 4.626 -1.367 1 1 1561 . 4 1 1 A 118 118 GLU C C 117 175.233 176.848 -1.615 1 1 1562 . 4 1 1 A 118 118 GLU CA C 117 56.890 56.131 0.759 1 1 1563 . 4 1 1 A 118 118 GLU CB C 117 30.325 30.291 0.034 1 1 1565 . 4 1 1 A 118 118 GLU N N 117 117.687 123.425 -5.738 1 1 1566 . 4 1 1 A 119 119 THR H H 118 6.968 7.600 -0.632 1 1 1567 . 4 1 1 A 119 119 THR HA H 118 4.082 4.524 -0.442 1 1 1572 . 4 1 1 A 119 119 THR C C 118 173.134 174.746 -1.612 1 1 1573 . 4 1 1 A 119 119 THR CA C 118 60.123 59.749 0.374 1 1 1574 . 4 1 1 A 119 119 THR CB C 118 70.147 68.421 1.726 1 1 1576 . 4 1 1 A 119 119 THR N N 118 109.548 108.301 1.247 1 1 1577 . 4 1 1 A 120 120 PHE H H 119 8.138 7.718 0.420 1 1 1578 . 4 1 1 A 120 120 PHE HA H 119 4.436 4.581 -0.145 1 1 1586 . 4 1 1 A 120 120 PHE C C 119 174.902 177.085 -2.183 1 1 1587 . 4 1 1 A 120 120 PHE CA C 119 56.750 57.801 -1.051 1 1 1588 . 4 1 1 A 120 120 PHE CB C 119 39.411 40.806 -1.395 1 1 1592 . 4 1 1 A 120 120 PHE N N 119 121.777 121.133 0.644 1 1 1607 . 4 2 2 B 2 2 SER H H 332 8.471 8.113 0.358 1 1 1608 . 4 2 2 B 2 2 SER HA H 332 4.484 4.183 0.301 1 1 1611 . 4 2 2 B 2 2 SER C C 332 174.962 176.810 -1.848 1 1 1612 . 4 2 2 B 2 2 SER CA C 332 88.436 61.856 26.580 1 1 1613 . 4 2 2 B 2 2 SER CB C 332 93.927 62.768 31.159 1 1 1614 . 4 2 2 B 2 2 SER N N 332 147.261 116.826 30.435 1 1 1615 . 4 2 2 B 3 3 GLY H H 333 8.601 8.409 0.192 1 1 1616 . 4 2 2 B 3 3 GLY HA2 H 333 4.022 3.892 0.130 1 1 1617 . 4 2 2 B 3 3 GLY HA3 H 333 4.022 3.898 0.124 1 1 1618 . 4 2 2 B 3 3 GLY C C 333 174.774 174.662 0.112 1 1 1619 . 4 2 2 B 3 3 GLY CA C 333 75.465 46.742 28.723 1 1 1620 . 4 2 2 B 3 3 GLY N N 333 141.077 107.621 33.456 1 1 1621 . 4 2 2 B 4 4 GLY H H 334 8.372 8.609 -0.237 1 1 1622 . 4 2 2 B 4 4 GLY HA2 H 334 3.980 3.925 0.055 1 1 1623 . 4 2 2 B 4 4 GLY HA3 H 334 3.980 3.932 0.048 1 1 1624 . 4 2 2 B 4 4 GLY C C 334 174.758 174.585 0.173 1 1 1625 . 4 2 2 B 4 4 GLY CA C 334 75.674 46.595 29.079 1 1 1626 . 4 2 2 B 4 4 GLY N N 334 138.894 109.079 29.815 1 1 1627 . 4 2 2 B 5 5 ASP H H 335 8.429 7.561 0.868 1 1 1628 . 4 2 2 B 5 5 ASP HA H 335 4.610 5.026 -0.416 1 1 1631 . 4 2 2 B 5 5 ASP CA C 335 85.066 52.986 32.080 1 1 1632 . 4 2 2 B 5 5 ASP CB C 335 71.191 40.814 30.377 1 1 1633 . 4 2 2 B 5 5 ASP N N 335 149.637 119.288 30.349 1 1 1634 . 4 2 2 B 6 6 ASP H H 336 8.244 8.592 -0.348 1 1 1635 . 4 2 2 B 6 6 ASP HA H 336 4.559 4.291 0.268 1 1 1638 . 4 2 2 B 6 6 ASP C C 336 175.432 176.094 -0.662 1 1 1639 . 4 2 2 B 6 6 ASP CA C 336 84.708 57.746 26.962 1 1 1640 . 4 2 2 B 6 6 ASP CB C 336 71.552 41.023 30.529 1 1 1641 . 4 2 2 B 6 6 ASP N N 336 148.885 122.527 26.358 1 1 1642 . 4 2 2 B 7 7 ASP H H 337 7.803 7.719 0.084 1 1 1643 . 4 2 2 B 7 7 ASP HA H 337 4.655 5.010 -0.355 1 1 1646 . 4 2 2 B 7 7 ASP C C 337 175.362 174.703 0.659 1 1 1647 . 4 2 2 B 7 7 ASP CA C 337 83.670 53.095 30.575 1 1 1648 . 4 2 2 B 7 7 ASP CB C 337 71.933 43.712 28.221 1 1 1649 . 4 2 2 B 7 7 ASP N N 337 149.563 113.105 36.458 1 1 1650 . 4 2 2 B 8 8 TRP H H 338 8.472 8.539 -0.067 1 1 1651 . 4 2 2 B 8 8 TRP HA H 338 4.174 4.844 -0.670 1 1 1660 . 4 2 2 B 8 8 TRP C C 338 175.959 175.853 0.106 1 1 1661 . 4 2 2 B 8 8 TRP CA C 338 87.020 56.973 30.047 1 1 1662 . 4 2 2 B 8 8 TRP CB C 338 61.223 30.285 30.938 1 1 1668 . 4 2 2 B 8 8 TRP N N 338 150.172 121.259 28.913 1 1 1670 . 4 2 2 B 9 9 THR H H 339 7.994 8.540 -0.546 1 1 1671 . 4 2 2 B 9 9 THR HA H 339 4.533 4.528 0.005 1 1 1676 . 4 2 2 B 9 9 THR C C 339 174.035 173.048 0.987 1 1 1677 . 4 2 2 B 9 9 THR CA C 339 92.659 60.549 32.110 1 1 1678 . 4 2 2 B 9 9 THR CB C 339 99.436 70.768 28.668 1 1 1680 . 4 2 2 B 9 9 THR N N 339 149.503 114.829 34.674 1 1 1681 . 4 2 2 B 10 10 HIS H H 340 9.463 8.305 1.158 1 1 1682 . 4 2 2 B 10 10 HIS HA H 340 4.677 5.302 -0.625 1 1 1687 . 4 2 2 B 10 10 HIS C C 340 175.606 174.304 1.302 1 1 1688 . 4 2 2 B 10 10 HIS CA C 340 87.024 54.435 32.589 1 1 1689 . 4 2 2 B 10 10 HIS CB C 340 61.368 31.653 29.715 1 1 1692 . 4 2 2 B 10 10 HIS N N 340 159.135 121.435 37.700 1 1 1693 . 4 2 2 B 11 11 LEU H H 341 8.398 9.150 -0.752 1 1 1694 . 4 2 2 B 11 11 LEU HA H 341 4.848 4.808 0.040 1 1 1704 . 4 2 2 B 11 11 LEU C C 341 175.919 175.960 -0.041 1 1 1705 . 4 2 2 B 11 11 LEU CA C 341 83.684 54.114 29.570 1 1 1706 . 4 2 2 B 11 11 LEU CB C 341 73.601 41.234 32.367 1 1 1710 . 4 2 2 B 11 11 LEU N N 341 153.300 126.410 26.890 1 1 1711 . 4 2 2 B 12 12 SER H H 342 8.382 8.918 -0.536 1 1 1712 . 4 2 2 B 12 12 SER HA H 342 4.652 4.581 0.071 1 1 1715 . 4 2 2 B 12 12 SER C C 342 174.263 175.480 -1.217 1 1 1716 . 4 2 2 B 12 12 SER CA C 342 86.841 59.041 27.800 1 1 1717 . 4 2 2 B 12 12 SER CB C 342 95.113 63.706 31.407 1 1 1718 . 4 2 2 B 12 12 SER N N 342 144.018 122.125 21.893 1 1 1719 . 4 2 2 B 13 13 SER H H 343 8.937 9.000 -0.063 1 1 1720 . 4 2 2 B 13 13 SER HA H 343 4.291 4.475 -0.184 1 1 1723 . 4 2 2 B 13 13 SER C C 343 174.652 175.026 -0.374 1 1 1724 . 4 2 2 B 13 13 SER CA C 343 89.546 59.771 29.775 1 1 1725 . 4 2 2 B 13 13 SER CB C 343 93.470 63.437 30.033 1 1 1726 . 4 2 2 B 13 13 SER N N 343 148.575 117.444 31.131 1 1 1727 . 4 2 2 B 14 14 LYS H H 344 8.250 8.147 0.103 1 1 1728 . 4 2 2 B 14 14 LYS HA H 344 4.319 4.345 -0.026 1 1 1737 . 4 2 2 B 14 14 LYS C C 344 176.699 177.428 -0.729 1 1 1738 . 4 2 2 B 14 14 LYS CA C 344 86.716 57.965 28.751 1 1 1739 . 4 2 2 B 14 14 LYS CB C 344 62.831 33.448 29.383 1 1 1743 . 4 2 2 B 14 14 LYS N N 344 151.908 121.021 30.887 1 1 1744 . 4 2 2 B 15 15 GLU H H 345 8.256 7.776 0.480 1 1 1745 . 4 2 2 B 15 15 GLU HA H 345 4.240 4.407 -0.167 1 1 1750 . 4 2 2 B 15 15 GLU C C 345 176.152 176.160 -0.008 1 1 1751 . 4 2 2 B 15 15 GLU CA C 345 87.152 56.575 30.577 1 1 1752 . 4 2 2 B 15 15 GLU CB C 345 60.176 30.181 29.995 1 1 1754 . 4 2 2 B 15 15 GLU N N 345 150.679 117.825 32.854 1 1 1755 . 4 2 2 B 16 16 VAL H H 346 7.762 7.327 0.435 1 1 1756 . 4 2 2 B 16 16 VAL HA H 346 4.161 4.149 0.012 1 1 1764 . 4 2 2 B 16 16 VAL C C 346 174.646 175.501 -0.855 1 1 1765 . 4 2 2 B 16 16 VAL CA C 346 91.707 60.915 30.792 1 1 1766 . 4 2 2 B 16 16 VAL CB C 346 63.107 33.851 29.256 1 1 1769 . 4 2 2 B 16 16 VAL N N 346 146.718 117.296 29.422 1 1 9 . 5 1 1 A 2 2 MET H H 1 8.414 7.588 0.826 1 1 10 . 5 1 1 A 2 2 MET HA H 1 4.826 5.164 -0.338 1 1 18 . 5 1 1 A 2 2 MET CA C 1 53.382 52.928 0.454 1 1 19 . 5 1 1 A 2 2 MET CB C 1 32.478 35.125 -2.647 1 1 22 . 5 1 1 A 2 2 MET N N 1 122.882 118.018 4.864 1 1 23 . 5 1 1 A 3 3 PRO HA H 2 4.425 4.854 -0.429 1 1 30 . 5 1 1 A 3 3 PRO C C 2 176.847 176.209 0.638 1 1 31 . 5 1 1 A 3 3 PRO CA C 2 63.386 62.741 0.645 1 1 32 . 5 1 1 A 3 3 PRO CB C 2 32.077 31.636 0.441 1 1 35 . 5 1 1 A 4 4 SER H H 3 8.347 8.628 -0.281 1 1 36 . 5 1 1 A 4 4 SER HA H 3 4.391 5.024 -0.633 1 1 39 . 5 1 1 A 4 4 SER C C 3 174.643 172.676 1.967 1 1 40 . 5 1 1 A 4 4 SER CA C 3 58.336 57.477 0.859 1 1 41 . 5 1 1 A 4 4 SER CB C 3 63.798 66.025 -2.227 1 1 42 . 5 1 1 A 4 4 SER N N 3 115.234 113.647 1.587 1 1 43 . 5 1 1 A 5 5 GLU H H 4 8.472 8.770 -0.298 1 1 44 . 5 1 1 A 5 5 GLU HA H 4 4.297 5.054 -0.757 1 1 49 . 5 1 1 A 5 5 GLU C C 4 176.352 175.160 1.192 1 1 50 . 5 1 1 A 5 5 GLU CA C 4 56.572 54.608 1.964 1 1 51 . 5 1 1 A 5 5 GLU CB C 4 30.285 33.500 -3.215 1 1 53 . 5 1 1 A 5 5 GLU N N 4 123.045 119.330 3.715 1 1 54 . 5 1 1 A 6 6 LYS H H 5 8.214 8.385 -0.171 1 1 55 . 5 1 1 A 6 6 LYS HA H 5 4.500 4.441 0.059 1 1 64 . 5 1 1 A 6 6 LYS C C 5 177.243 175.995 1.248 1 1 65 . 5 1 1 A 6 6 LYS CA C 5 55.943 56.544 -0.601 1 1 66 . 5 1 1 A 6 6 LYS CB C 5 34.621 33.784 0.837 1 1 70 . 5 1 1 A 6 6 LYS N N 5 121.467 122.473 -1.006 1 1 71 . 5 1 1 A 7 7 THR H H 6 8.431 8.378 0.053 1 1 72 . 5 1 1 A 7 7 THR HA H 6 4.383 5.066 -0.683 1 1 77 . 5 1 1 A 7 7 THR C C 6 175.360 175.924 -0.564 1 1 78 . 5 1 1 A 7 7 THR CA C 6 61.124 59.252 1.872 1 1 79 . 5 1 1 A 7 7 THR CB C 6 69.863 71.763 -1.900 1 1 81 . 5 1 1 A 7 7 THR N N 6 114.691 111.233 3.458 1 1 82 . 5 1 1 A 8 8 PHE H H 7 10.194 9.596 0.598 1 1 83 . 5 1 1 A 8 8 PHE HA H 7 3.904 4.225 -0.321 1 1 88 . 5 1 1 A 8 8 PHE C C 7 177.000 177.797 -0.797 1 1 89 . 5 1 1 A 8 8 PHE CA C 7 63.388 61.060 2.328 1 1 90 . 5 1 1 A 8 8 PHE CB C 7 39.586 38.940 0.646 1 1 92 . 5 1 1 A 8 8 PHE N N 7 124.861 123.142 1.719 1 1 93 . 5 1 1 A 9 9 LYS H H 8 8.707 8.435 0.272 1 1 94 . 5 1 1 A 9 9 LYS HA H 8 3.761 4.071 -0.310 1 1 103 . 5 1 1 A 9 9 LYS C C 8 177.496 178.924 -1.428 1 1 104 . 5 1 1 A 9 9 LYS CA C 8 59.945 59.303 0.642 1 1 105 . 5 1 1 A 9 9 LYS CB C 8 33.870 32.071 1.799 1 1 109 . 5 1 1 A 9 9 LYS N N 8 114.189 117.452 -3.263 1 1 110 . 5 1 1 A 10 10 GLN H H 9 7.284 8.236 -0.952 1 1 111 . 5 1 1 A 10 10 GLN HA H 9 4.113 4.200 -0.087 1 1 118 . 5 1 1 A 10 10 GLN C C 9 177.416 178.216 -0.800 1 1 119 . 5 1 1 A 10 10 GLN CA C 9 56.743 58.132 -1.389 1 1 120 . 5 1 1 A 10 10 GLN CB C 9 30.002 29.048 0.954 1 1 123 . 5 1 1 A 10 10 GLN N N 9 112.843 119.016 -6.173 1 1 125 . 5 1 1 A 11 11 ARG H H 10 7.889 8.336 -0.447 1 1 126 . 5 1 1 A 11 11 ARG HA H 10 4.255 3.979 0.276 1 1 133 . 5 1 1 A 11 11 ARG C C 10 175.059 176.623 -1.564 1 1 134 . 5 1 1 A 11 11 ARG CA C 10 57.018 59.475 -2.457 1 1 135 . 5 1 1 A 11 11 ARG CB C 10 31.628 30.363 1.265 1 1 138 . 5 1 1 A 11 11 ARG N N 10 117.567 120.471 -2.904 1 1 139 . 5 1 1 A 12 12 ARG H H 11 7.443 7.743 -0.300 1 1 140 . 5 1 1 A 12 12 ARG HA H 11 4.493 4.300 0.193 1 1 147 . 5 1 1 A 12 12 ARG CA C 11 54.172 56.283 -2.111 1 1 148 . 5 1 1 A 12 12 ARG CB C 11 32.857 30.805 2.052 1 1 151 . 5 1 1 A 12 12 ARG N N 11 122.786 120.505 2.281 1 1 152 . 5 1 1 A 13 13 SER HA H 12 4.403 4.479 -0.076 1 1 155 . 5 1 1 A 13 13 SER C C 12 174.222 175.676 -1.454 1 1 156 . 5 1 1 A 13 13 SER CA C 12 58.274 60.344 -2.070 1 1 157 . 5 1 1 A 13 13 SER CB C 12 64.821 63.449 1.372 1 1 158 . 5 1 1 A 14 14 PHE H H 13 9.239 9.224 0.015 1 1 159 . 5 1 1 A 14 14 PHE HA H 13 4.035 4.132 -0.097 1 1 165 . 5 1 1 A 14 14 PHE C C 13 176.023 176.970 -0.947 1 1 166 . 5 1 1 A 14 14 PHE CA C 13 62.790 62.724 0.066 1 1 167 . 5 1 1 A 14 14 PHE CB C 13 39.580 39.878 -0.298 1 1 169 . 5 1 1 A 14 14 PHE N N 13 123.729 126.918 -3.189 1 1 170 . 5 1 1 A 15 15 GLU H H 14 9.093 8.572 0.521 1 1 171 . 5 1 1 A 15 15 GLU HA H 14 3.813 3.887 -0.074 1 1 176 . 5 1 1 A 15 15 GLU C C 14 179.549 179.324 0.225 1 1 177 . 5 1 1 A 15 15 GLU CA C 14 60.444 60.152 0.292 1 1 178 . 5 1 1 A 15 15 GLU CB C 14 28.804 29.219 -0.415 1 1 180 . 5 1 1 A 15 15 GLU N N 14 115.336 117.794 -2.458 1 1 181 . 5 1 1 A 16 16 GLN H H 15 7.752 8.312 -0.560 1 1 182 . 5 1 1 A 16 16 GLN HA H 15 4.044 4.026 0.018 1 1 189 . 5 1 1 A 16 16 GLN C C 15 177.931 178.323 -0.392 1 1 190 . 5 1 1 A 16 16 GLN CA C 15 58.486 59.188 -0.702 1 1 191 . 5 1 1 A 16 16 GLN CB C 15 29.393 28.572 0.821 1 1 194 . 5 1 1 A 16 16 GLN N N 15 119.145 120.145 -1.000 1 1 196 . 5 1 1 A 17 17 ARG H H 16 8.577 8.321 0.256 1 1 197 . 5 1 1 A 17 17 ARG HA H 16 4.280 4.219 0.061 1 1 202 . 5 1 1 A 17 17 ARG C C 16 177.128 178.443 -1.315 1 1 203 . 5 1 1 A 17 17 ARG CA C 16 61.442 59.620 1.822 1 1 204 . 5 1 1 A 17 17 ARG N N 16 121.288 119.069 2.219 1 1 205 . 5 1 1 A 18 18 VAL H H 17 8.329 8.422 -0.093 1 1 206 . 5 1 1 A 18 18 VAL HA H 17 3.938 3.679 0.259 1 1 214 . 5 1 1 A 18 18 VAL C C 17 179.744 178.036 1.708 1 1 215 . 5 1 1 A 18 18 VAL CA C 17 65.441 65.249 0.192 1 1 216 . 5 1 1 A 18 18 VAL CB C 17 32.080 31.561 0.519 1 1 219 . 5 1 1 A 18 18 VAL N N 17 116.752 120.067 -3.315 1 1 220 . 5 1 1 A 19 19 GLU H H 18 7.445 8.332 -0.887 1 1 221 . 5 1 1 A 19 19 GLU HA H 18 4.270 3.971 0.299 1 1 226 . 5 1 1 A 19 19 GLU C C 18 177.625 178.362 -0.737 1 1 227 . 5 1 1 A 19 19 GLU CA C 18 58.637 59.352 -0.715 1 1 228 . 5 1 1 A 19 19 GLU CB C 18 29.398 29.502 -0.104 1 1 230 . 5 1 1 A 19 19 GLU N N 18 120.323 121.485 -1.162 1 1 231 . 5 1 1 A 20 20 ASP H H 19 8.690 8.389 0.301 1 1 232 . 5 1 1 A 20 20 ASP HA H 19 4.514 4.443 0.071 1 1 235 . 5 1 1 A 20 20 ASP C C 19 179.877 178.024 1.853 1 1 236 . 5 1 1 A 20 20 ASP CA C 19 57.224 57.221 0.003 1 1 237 . 5 1 1 A 20 20 ASP CB C 19 41.487 41.118 0.369 1 1 238 . 5 1 1 A 20 20 ASP N N 19 120.313 120.556 -0.243 1 1 239 . 5 1 1 A 21 21 VAL H H 20 7.731 7.801 -0.070 1 1 240 . 5 1 1 A 21 21 VAL HA H 20 3.394 3.203 0.191 1 1 248 . 5 1 1 A 21 21 VAL C C 20 176.989 178.096 -1.107 1 1 249 . 5 1 1 A 21 21 VAL CA C 20 65.989 65.527 0.462 1 1 250 . 5 1 1 A 21 21 VAL CB C 20 31.291 30.807 0.484 1 1 253 . 5 1 1 A 21 21 VAL N N 20 119.119 118.587 0.532 1 1 254 . 5 1 1 A 22 22 ARG H H 21 8.313 8.256 0.057 1 1 255 . 5 1 1 A 22 22 ARG HA H 21 3.825 3.952 -0.127 1 1 263 . 5 1 1 A 22 22 ARG C C 21 180.178 178.531 1.647 1 1 264 . 5 1 1 A 22 22 ARG CA C 21 59.821 59.125 0.696 1 1 265 . 5 1 1 A 22 22 ARG CB C 21 30.164 30.219 -0.055 1 1 269 . 5 1 1 A 22 22 ARG N N 21 120.772 121.343 -0.571 1 1 271 . 5 1 1 A 23 23 LEU H H 22 8.306 8.364 -0.058 1 1 272 . 5 1 1 A 23 23 LEU HA H 22 4.076 3.937 0.139 1 1 282 . 5 1 1 A 23 23 LEU C C 22 180.221 178.879 1.342 1 1 283 . 5 1 1 A 23 23 LEU CA C 22 57.541 58.061 -0.520 1 1 284 . 5 1 1 A 23 23 LEU CB C 22 42.300 41.633 0.667 1 1 288 . 5 1 1 A 23 23 LEU N N 22 116.413 119.522 -3.109 1 1 289 . 5 1 1 A 24 24 ILE H H 23 7.864 8.170 -0.306 1 1 290 . 5 1 1 A 24 24 ILE HA H 23 4.090 3.774 0.316 1 1 300 . 5 1 1 A 24 24 ILE C C 23 177.922 178.284 -0.362 1 1 301 . 5 1 1 A 24 24 ILE CA C 23 60.190 64.951 -4.761 1 1 302 . 5 1 1 A 24 24 ILE CB C 23 38.072 37.580 0.492 1 1 306 . 5 1 1 A 24 24 ILE N N 23 121.259 118.022 3.237 1 1 307 . 5 1 1 A 25 25 ARG H H 24 8.339 8.370 -0.031 1 1 308 . 5 1 1 A 25 25 ARG HA H 24 3.973 3.991 -0.018 1 1 316 . 5 1 1 A 25 25 ARG C C 24 178.479 178.133 0.346 1 1 317 . 5 1 1 A 25 25 ARG CA C 24 57.337 59.246 -1.909 1 1 318 . 5 1 1 A 25 25 ARG CB C 24 28.663 29.958 -1.295 1 1 322 . 5 1 1 A 25 25 ARG N N 24 121.816 121.155 0.661 1 1 324 . 5 1 1 A 26 26 GLU H H 25 7.133 8.527 -1.394 1 1 325 . 5 1 1 A 26 26 GLU HA H 25 4.052 4.252 -0.200 1 1 330 . 5 1 1 A 26 26 GLU C C 25 178.158 177.900 0.258 1 1 331 . 5 1 1 A 26 26 GLU CA C 25 58.367 57.449 0.918 1 1 332 . 5 1 1 A 26 26 GLU CB C 25 29.903 30.198 -0.295 1 1 334 . 5 1 1 A 26 26 GLU N N 25 116.794 117.338 -0.544 1 1 335 . 5 1 1 A 27 27 GLN H H 26 7.283 8.143 -0.860 1 1 336 . 5 1 1 A 27 27 GLN HA H 26 3.888 4.338 -0.450 1 1 343 . 5 1 1 A 27 27 GLN C C 26 176.088 175.899 0.189 1 1 344 . 5 1 1 A 27 27 GLN CA C 26 57.676 57.462 0.214 1 1 345 . 5 1 1 A 27 27 GLN CB C 26 30.382 30.007 0.375 1 1 348 . 5 1 1 A 27 27 GLN N N 26 116.373 118.181 -1.808 1 1 350 . 5 1 1 A 28 28 HIS H H 27 8.223 8.576 -0.353 1 1 351 . 5 1 1 A 28 28 HIS HA H 27 4.941 5.083 -0.142 1 1 356 . 5 1 1 A 28 28 HIS CA C 27 53.278 53.159 0.119 1 1 357 . 5 1 1 A 28 28 HIS CB C 27 30.933 29.845 1.088 1 1 360 . 5 1 1 A 28 28 HIS N N 27 115.408 116.171 -0.763 1 1 361 . 5 1 1 A 29 29 PRO HA H 28 4.562 4.327 0.235 1 1 368 . 5 1 1 A 29 29 PRO C C 28 178.046 177.828 0.218 1 1 369 . 5 1 1 A 29 29 PRO CA C 28 64.821 64.383 0.438 1 1 370 . 5 1 1 A 29 29 PRO CB C 28 32.447 31.887 0.560 1 1 373 . 5 1 1 A 30 30 THR H H 29 7.820 7.694 0.126 1 1 374 . 5 1 1 A 30 30 THR HA H 29 4.583 4.375 0.208 1 1 379 . 5 1 1 A 30 30 THR C C 29 172.723 173.609 -0.886 1 1 380 . 5 1 1 A 30 30 THR CA C 29 60.826 62.119 -1.293 1 1 381 . 5 1 1 A 30 30 THR CB C 29 68.641 69.238 -0.597 1 1 383 . 5 1 1 A 30 30 THR N N 29 106.682 107.791 -1.109 1 1 384 . 5 1 1 A 31 31 LYS H H 30 7.453 7.182 0.271 1 1 385 . 5 1 1 A 31 31 LYS HA H 30 4.850 4.901 -0.051 1 1 394 . 5 1 1 A 31 31 LYS C C 30 174.296 174.953 -0.657 1 1 395 . 5 1 1 A 31 31 LYS CA C 30 53.944 54.648 -0.704 1 1 396 . 5 1 1 A 31 31 LYS CB C 30 36.098 36.937 -0.839 1 1 400 . 5 1 1 A 31 31 LYS N N 30 117.809 120.143 -2.334 1 1 401 . 5 1 1 A 32 32 ILE H H 31 9.265 9.425 -0.160 1 1 402 . 5 1 1 A 32 32 ILE HA H 31 4.106 4.227 -0.121 1 1 412 . 5 1 1 A 32 32 ILE CA C 31 54.606 57.494 -2.888 1 1 413 . 5 1 1 A 32 32 ILE CB C 31 38.448 38.964 -0.516 1 1 417 . 5 1 1 A 32 32 ILE N N 31 122.497 122.009 0.488 1 1 418 . 5 1 1 A 33 33 PRO HA H 32 5.252 4.964 0.288 1 1 425 . 5 1 1 A 33 33 PRO C C 32 174.652 176.759 -2.107 1 1 426 . 5 1 1 A 33 33 PRO CA C 32 61.704 62.527 -0.823 1 1 427 . 5 1 1 A 33 33 PRO CB C 32 31.873 31.603 0.270 1 1 430 . 5 1 1 A 34 34 VAL H H 33 9.359 8.221 1.138 1 1 431 . 5 1 1 A 34 34 VAL HA H 33 5.298 5.196 0.102 1 1 439 . 5 1 1 A 34 34 VAL C C 33 173.633 174.842 -1.209 1 1 440 . 5 1 1 A 34 34 VAL CA C 33 59.830 59.193 0.637 1 1 441 . 5 1 1 A 34 34 VAL CB C 33 36.154 36.122 0.032 1 1 444 . 5 1 1 A 34 34 VAL N N 33 124.496 116.757 7.739 1 1 445 . 5 1 1 A 35 35 ILE H H 34 8.667 9.182 -0.515 1 1 446 . 5 1 1 A 35 35 ILE HA H 34 4.867 4.766 0.101 1 1 456 . 5 1 1 A 35 35 ILE C C 34 175.770 174.926 0.844 1 1 457 . 5 1 1 A 35 35 ILE CA C 34 56.320 60.244 -3.924 1 1 458 . 5 1 1 A 35 35 ILE CB C 34 36.909 39.289 -2.380 1 1 462 . 5 1 1 A 35 35 ILE N N 34 127.447 122.092 5.355 1 1 463 . 5 1 1 A 36 36 ILE H H 35 8.422 9.416 -0.994 1 1 464 . 5 1 1 A 36 36 ILE HA H 35 4.890 5.030 -0.140 1 1 474 . 5 1 1 A 36 36 ILE C C 35 175.098 175.354 -0.256 1 1 475 . 5 1 1 A 36 36 ILE CA C 35 60.806 60.538 0.268 1 1 476 . 5 1 1 A 36 36 ILE CB C 35 39.357 39.019 0.338 1 1 480 . 5 1 1 A 36 36 ILE N N 35 124.267 128.749 -4.482 1 1 481 . 5 1 1 A 37 37 GLU H H 36 8.335 8.782 -0.447 1 1 482 . 5 1 1 A 37 37 GLU HA H 36 4.820 4.900 -0.080 1 1 487 . 5 1 1 A 37 37 GLU C C 36 173.502 176.034 -2.532 1 1 488 . 5 1 1 A 37 37 GLU CA C 36 54.214 54.359 -0.145 1 1 489 . 5 1 1 A 37 37 GLU CB C 36 35.547 33.458 2.089 1 1 491 . 5 1 1 A 37 37 GLU N N 36 123.296 125.600 -2.304 1 1 492 . 5 1 1 A 38 38 ARG H H 37 8.891 8.386 0.505 1 1 493 . 5 1 1 A 38 38 ARG HA H 37 2.755 2.972 -0.217 1 1 501 . 5 1 1 A 38 38 ARG C C 37 176.165 175.308 0.857 1 1 502 . 5 1 1 A 38 38 ARG CA C 37 56.235 55.943 0.292 1 1 503 . 5 1 1 A 38 38 ARG CB C 37 31.328 30.054 1.274 1 1 507 . 5 1 1 A 38 38 ARG N N 37 123.143 123.141 0.002 1 1 509 . 5 1 1 A 39 39 TYR H H 38 8.681 7.938 0.743 1 1 510 . 5 1 1 A 39 39 TYR HA H 38 4.331 4.384 -0.053 1 1 517 . 5 1 1 A 39 39 TYR C C 38 177.064 175.217 1.847 1 1 518 . 5 1 1 A 39 39 TYR CA C 38 57.769 58.917 -1.148 1 1 519 . 5 1 1 A 39 39 TYR CB C 38 39.552 38.895 0.657 1 1 522 . 5 1 1 A 39 39 TYR N N 38 128.699 122.924 5.775 1 1 523 . 5 1 1 A 40 40 LYS H H 39 8.454 7.868 0.586 1 1 524 . 5 1 1 A 40 40 LYS HA H 39 3.841 3.988 -0.147 1 1 533 . 5 1 1 A 40 40 LYS C C 39 176.290 176.899 -0.609 1 1 534 . 5 1 1 A 40 40 LYS CA C 39 58.772 56.770 2.002 1 1 535 . 5 1 1 A 40 40 LYS CB C 39 31.738 31.465 0.273 1 1 539 . 5 1 1 A 40 40 LYS N N 39 130.022 123.482 6.540 1 1 540 . 5 1 1 A 41 41 GLY H H 40 5.457 8.691 -3.234 1 1 541 . 5 1 1 A 41 41 GLY HA2 H 40 3.306 4.031 -0.725 1 1 542 . 5 1 1 A 41 41 GLY HA3 H 40 3.999 4.124 -0.125 1 1 543 . 5 1 1 A 41 41 GLY C C 40 173.426 174.535 -1.109 1 1 544 . 5 1 1 A 41 41 GLY CA C 40 44.673 45.168 -0.495 1 1 545 . 5 1 1 A 41 41 GLY N N 40 104.628 113.586 -8.958 1 1 546 . 5 1 1 A 42 42 GLU H H 41 7.440 8.501 -1.061 1 1 547 . 5 1 1 A 42 42 GLU HA H 41 4.278 4.442 -0.164 1 1 552 . 5 1 1 A 42 42 GLU C C 41 176.306 176.458 -0.152 1 1 553 . 5 1 1 A 42 42 GLU CA C 41 56.358 55.938 0.420 1 1 554 . 5 1 1 A 42 42 GLU CB C 41 31.014 29.615 1.399 1 1 556 . 5 1 1 A 42 42 GLU N N 41 122.648 121.005 1.643 1 1 557 . 5 1 1 A 43 43 LYS H H 42 8.912 8.448 0.464 1 1 558 . 5 1 1 A 43 43 LYS HA H 42 4.680 4.598 0.082 1 1 567 . 5 1 1 A 43 43 LYS C C 42 177.063 178.249 -1.186 1 1 568 . 5 1 1 A 43 43 LYS CA C 42 55.652 56.445 -0.793 1 1 569 . 5 1 1 A 43 43 LYS CB C 42 34.871 34.117 0.754 1 1 573 . 5 1 1 A 43 43 LYS N N 42 123.569 123.155 0.414 1 1 574 . 5 1 1 A 44 44 GLN H H 43 8.446 8.075 0.371 1 1 575 . 5 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1 1 582 . 5 1 1 A 44 44 GLN C C 43 177.152 176.945 0.207 1 1 583 . 5 1 1 A 44 44 GLN CA C 43 57.561 58.688 -1.127 1 1 584 . 5 1 1 A 44 44 GLN CB C 43 30.671 28.637 2.034 1 1 587 . 5 1 1 A 44 44 GLN N N 43 118.990 118.778 0.212 1 1 589 . 5 1 1 A 45 45 LEU H H 44 9.043 7.816 1.227 1 1 590 . 5 1 1 A 45 45 LEU HA H 44 4.716 4.476 0.240 1 1 600 . 5 1 1 A 45 45 LEU CA C 44 53.078 53.895 -0.817 1 1 601 . 5 1 1 A 45 45 LEU CB C 44 43.614 41.233 2.381 1 1 605 . 5 1 1 A 45 45 LEU N N 44 120.375 120.298 0.077 1 1 606 . 5 1 1 A 46 46 PRO HA H 45 4.723 4.641 0.082 1 1 613 . 5 1 1 A 46 46 PRO C C 45 175.883 176.161 -0.278 1 1 614 . 5 1 1 A 46 46 PRO CA C 45 62.005 62.257 -0.252 1 1 615 . 5 1 1 A 46 46 PRO CB C 45 32.609 32.362 0.247 1 1 618 . 5 1 1 A 47 47 VAL H H 46 8.437 8.527 -0.090 1 1 619 . 5 1 1 A 47 47 VAL HA H 46 3.914 4.702 -0.788 1 1 627 . 5 1 1 A 47 47 VAL C C 46 175.367 176.074 -0.707 1 1 628 . 5 1 1 A 47 47 VAL CA C 46 62.700 61.913 0.787 1 1 629 . 5 1 1 A 47 47 VAL CB C 46 32.927 31.702 1.225 1 1 632 . 5 1 1 A 47 47 VAL N N 46 118.440 121.702 -3.262 1 1 633 . 5 1 1 A 48 48 LEU H H 47 7.863 8.277 -0.414 1 1 634 . 5 1 1 A 48 48 LEU HA H 47 4.384 4.123 0.261 1 1 644 . 5 1 1 A 48 48 LEU C C 47 176.088 178.248 -2.160 1 1 645 . 5 1 1 A 48 48 LEU CA C 47 54.851 55.547 -0.696 1 1 646 . 5 1 1 A 48 48 LEU CB C 47 43.841 43.773 0.068 1 1 650 . 5 1 1 A 48 48 LEU N N 47 129.127 129.281 -0.154 1 1 651 . 5 1 1 A 49 49 ASP H H 48 8.699 8.641 0.058 1 1 652 . 5 1 1 A 49 49 ASP HA H 48 4.293 4.519 -0.226 1 1 655 . 5 1 1 A 49 49 ASP C C 48 175.121 176.437 -1.316 1 1 656 . 5 1 1 A 49 49 ASP CA C 48 55.717 56.887 -1.170 1 1 657 . 5 1 1 A 49 49 ASP CB C 48 40.260 42.534 -2.274 1 1 658 . 5 1 1 A 49 49 ASP N N 48 121.389 122.667 -1.278 1 1 659 . 5 1 1 A 50 50 LYS H H 49 7.251 7.743 -0.492 1 1 660 . 5 1 1 A 50 50 LYS HA H 49 4.540 4.691 -0.151 1 1 669 . 5 1 1 A 50 50 LYS C C 49 174.664 176.132 -1.468 1 1 670 . 5 1 1 A 50 50 LYS CA C 49 53.211 54.266 -1.055 1 1 671 . 5 1 1 A 50 50 LYS CB C 49 35.514 35.185 0.329 1 1 675 . 5 1 1 A 50 50 LYS N N 49 118.260 116.423 1.837 1 1 676 . 5 1 1 A 51 51 THR H H 50 8.162 8.126 0.036 1 1 677 . 5 1 1 A 51 51 THR HA H 50 4.685 4.688 -0.003 1 1 682 . 5 1 1 A 51 51 THR C C 50 171.631 174.013 -2.382 1 1 683 . 5 1 1 A 51 51 THR CA C 50 63.581 62.952 0.629 1 1 684 . 5 1 1 A 51 51 THR CB C 50 71.587 70.415 1.172 1 1 686 . 5 1 1 A 51 51 THR N N 50 112.535 113.571 -1.036 1 1 687 . 5 1 1 A 52 52 LYS H H 51 6.971 7.453 -0.482 1 1 688 . 5 1 1 A 52 52 LYS HA H 51 4.443 5.417 -0.974 1 1 697 . 5 1 1 A 52 52 LYS C C 51 175.417 175.229 0.188 1 1 698 . 5 1 1 A 52 52 LYS CA C 51 55.209 54.738 0.471 1 1 699 . 5 1 1 A 52 52 LYS CB C 51 33.309 35.522 -2.213 1 1 703 . 5 1 1 A 52 52 LYS N N 51 120.227 118.057 2.170 1 1 704 . 5 1 1 A 53 53 PHE H H 52 9.688 9.003 0.685 1 1 705 . 5 1 1 A 53 53 PHE HA H 52 5.675 4.986 0.689 1 1 712 . 5 1 1 A 53 53 PHE C C 52 174.348 174.532 -0.184 1 1 713 . 5 1 1 A 53 53 PHE CA C 52 56.625 56.679 -0.054 1 1 714 . 5 1 1 A 53 53 PHE CB C 52 43.109 43.558 -0.449 1 1 716 . 5 1 1 A 53 53 PHE N N 52 124.646 119.973 4.673 1 1 717 . 5 1 1 A 54 54 LEU H H 53 8.470 9.039 -0.569 1 1 718 . 5 1 1 A 54 54 LEU HA H 53 5.044 4.887 0.157 1 1 728 . 5 1 1 A 54 54 LEU C C 53 176.144 175.213 0.931 1 1 729 . 5 1 1 A 54 54 LEU CA C 53 52.954 53.483 -0.529 1 1 730 . 5 1 1 A 54 54 LEU CB C 53 45.081 42.095 2.986 1 1 734 . 5 1 1 A 54 54 LEU N N 53 119.430 123.731 -4.301 1 1 735 . 5 1 1 A 55 55 VAL H H 54 8.802 8.621 0.181 1 1 736 . 5 1 1 A 55 55 VAL HA H 54 4.640 4.524 0.116 1 1 744 . 5 1 1 A 55 55 VAL CA C 54 58.549 59.905 -1.356 1 1 745 . 5 1 1 A 55 55 VAL CB C 54 35.342 33.404 1.938 1 1 748 . 5 1 1 A 55 55 VAL N N 54 123.841 125.254 -1.413 1 1 749 . 5 1 1 A 56 56 PRO HA H 55 4.439 4.716 -0.277 1 1 756 . 5 1 1 A 56 56 PRO C C 55 176.666 176.597 0.069 1 1 757 . 5 1 1 A 56 56 PRO CA C 55 64.256 62.128 2.128 1 1 758 . 5 1 1 A 56 56 PRO CB C 55 32.783 31.436 1.347 1 1 761 . 5 1 1 A 57 57 ASP H H 56 8.412 8.251 0.161 1 1 762 . 5 1 1 A 57 57 ASP HA H 56 3.848 4.470 -0.622 1 1 765 . 5 1 1 A 57 57 ASP C C 56 175.417 176.549 -1.132 1 1 766 . 5 1 1 A 57 57 ASP CA C 56 56.616 53.923 2.693 1 1 767 . 5 1 1 A 57 57 ASP CB C 56 40.410 39.748 0.662 1 1 768 . 5 1 1 A 57 57 ASP N N 56 120.415 123.040 -2.625 1 1 769 . 5 1 1 A 58 58 HIS H H 57 7.373 7.949 -0.576 1 1 770 . 5 1 1 A 58 58 HIS HA H 57 4.770 4.825 -0.055 1 1 775 . 5 1 1 A 58 58 HIS C C 57 176.594 174.125 2.469 1 1 776 . 5 1 1 A 58 58 HIS CA C 57 55.584 54.954 0.630 1 1 777 . 5 1 1 A 58 58 HIS CB C 57 30.628 30.966 -0.338 1 1 780 . 5 1 1 A 58 58 HIS N N 57 113.439 114.346 -0.907 1 1 781 . 5 1 1 A 59 59 VAL H H 58 7.249 7.583 -0.334 1 1 782 . 5 1 1 A 59 59 VAL HA H 58 3.903 4.884 -0.981 1 1 790 . 5 1 1 A 59 59 VAL C C 58 175.014 173.979 1.035 1 1 791 . 5 1 1 A 59 59 VAL CA C 58 62.726 59.197 3.529 1 1 792 . 5 1 1 A 59 59 VAL CB C 58 32.190 36.412 -4.222 1 1 795 . 5 1 1 A 59 59 VAL N N 58 122.597 115.740 6.857 1 1 796 . 5 1 1 A 60 60 ASN H H 59 8.677 8.360 0.317 1 1 797 . 5 1 1 A 60 60 ASN HA H 59 5.187 5.081 0.106 1 1 802 . 5 1 1 A 60 60 ASN C C 59 176.477 177.065 -0.588 1 1 803 . 5 1 1 A 60 60 ASN CA C 59 51.181 51.334 -0.153 1 1 804 . 5 1 1 A 60 60 ASN CB C 59 39.947 41.123 -1.176 1 1 806 . 5 1 1 A 60 60 ASN N N 59 122.962 119.300 3.662 1 1 808 . 5 1 1 A 61 61 MET H H 60 8.038 8.582 -0.544 1 1 809 . 5 1 1 A 61 61 MET HA H 60 4.426 4.203 0.223 1 1 817 . 5 1 1 A 61 61 MET C C 60 177.996 178.445 -0.449 1 1 818 . 5 1 1 A 61 61 MET CA C 60 57.118 58.141 -1.023 1 1 819 . 5 1 1 A 61 61 MET CB C 60 29.998 32.110 -2.112 1 1 822 . 5 1 1 A 61 61 MET N N 60 116.814 119.492 -2.678 1 1 823 . 5 1 1 A 62 62 SER H H 61 8.401 8.158 0.243 1 1 824 . 5 1 1 A 62 62 SER HA H 61 4.132 4.125 0.007 1 1 827 . 5 1 1 A 62 62 SER C C 61 177.255 177.197 0.058 1 1 828 . 5 1 1 A 62 62 SER CA C 61 61.559 61.473 0.086 1 1 829 . 5 1 1 A 62 62 SER CB C 61 62.430 63.182 -0.752 1 1 830 . 5 1 1 A 62 62 SER N N 61 114.109 115.571 -1.462 1 1 831 . 5 1 1 A 63 63 GLU H H 62 8.014 8.007 0.007 1 1 832 . 5 1 1 A 63 63 GLU HA H 62 4.016 3.982 0.034 1 1 837 . 5 1 1 A 63 63 GLU C C 62 178.327 178.846 -0.519 1 1 838 . 5 1 1 A 63 63 GLU CA C 62 58.787 59.451 -0.664 1 1 839 . 5 1 1 A 63 63 GLU CB C 62 29.814 29.343 0.471 1 1 841 . 5 1 1 A 63 63 GLU N N 62 122.806 121.471 1.335 1 1 842 . 5 1 1 A 64 64 LEU H H 63 8.254 8.205 0.049 1 1 843 . 5 1 1 A 64 64 LEU HA H 63 3.932 3.957 -0.025 1 1 853 . 5 1 1 A 64 64 LEU C C 63 178.029 178.519 -0.490 1 1 854 . 5 1 1 A 64 64 LEU CA C 63 57.986 58.353 -0.367 1 1 855 . 5 1 1 A 64 64 LEU CB C 63 41.377 41.856 -0.479 1 1 859 . 5 1 1 A 64 64 LEU N N 63 120.526 121.772 -1.246 1 1 860 . 5 1 1 A 65 65 ILE H H 64 8.415 8.099 0.316 1 1 861 . 5 1 1 A 65 65 ILE HA H 64 3.377 3.756 -0.379 1 1 871 . 5 1 1 A 65 65 ILE C C 64 177.078 177.641 -0.563 1 1 872 . 5 1 1 A 65 65 ILE CA C 64 66.699 65.638 1.061 1 1 873 . 5 1 1 A 65 65 ILE CB C 64 38.128 38.022 0.106 1 1 877 . 5 1 1 A 65 65 ILE N N 64 118.349 119.803 -1.454 1 1 878 . 5 1 1 A 66 66 LYS H H 65 7.366 7.942 -0.576 1 1 879 . 5 1 1 A 66 66 LYS HA H 65 3.696 4.026 -0.330 1 1 888 . 5 1 1 A 66 66 LYS C C 65 179.260 179.343 -0.083 1 1 889 . 5 1 1 A 66 66 LYS CA C 65 60.593 59.184 1.409 1 1 890 . 5 1 1 A 66 66 LYS CB C 65 32.421 32.364 0.057 1 1 894 . 5 1 1 A 66 66 LYS N N 65 118.334 119.396 -1.062 1 1 895 . 5 1 1 A 67 67 ILE H H 66 8.179 8.362 -0.183 1 1 896 . 5 1 1 A 67 67 ILE HA H 66 3.546 3.802 -0.256 1 1 906 . 5 1 1 A 67 67 ILE C C 66 178.784 178.527 0.257 1 1 907 . 5 1 1 A 67 67 ILE CA C 66 65.488 64.369 1.119 1 1 908 . 5 1 1 A 67 67 ILE CB C 66 38.593 36.828 1.765 1 1 912 . 5 1 1 A 67 67 ILE N N 66 119.791 120.059 -0.268 1 1 913 . 5 1 1 A 68 68 ILE H H 67 8.279 8.074 0.205 1 1 914 . 5 1 1 A 68 68 ILE HA H 67 3.391 3.559 -0.168 1 1 924 . 5 1 1 A 68 68 ILE C C 67 177.403 177.530 -0.127 1 1 925 . 5 1 1 A 68 68 ILE CA C 67 63.144 64.629 -1.485 1 1 926 . 5 1 1 A 68 68 ILE CB C 67 35.269 37.477 -2.208 1 1 930 . 5 1 1 A 68 68 ILE N N 67 120.267 122.087 -1.820 1 1 931 . 5 1 1 A 69 69 ARG H H 68 8.454 8.030 0.424 1 1 932 . 5 1 1 A 69 69 ARG HA H 68 2.966 3.373 -0.407 1 1 939 . 5 1 1 A 69 69 ARG C C 68 178.385 177.571 0.814 1 1 940 . 5 1 1 A 69 69 ARG CA C 68 60.642 58.242 2.400 1 1 941 . 5 1 1 A 69 69 ARG CB C 68 30.442 29.394 1.048 1 1 944 . 5 1 1 A 69 69 ARG N N 68 118.881 120.415 -1.534 1 1 945 . 5 1 1 A 70 70 ARG H H 69 7.492 7.657 -0.165 1 1 946 . 5 1 1 A 70 70 ARG HA H 69 4.164 4.077 0.087 1 1 954 . 5 1 1 A 70 70 ARG C C 69 180.253 178.592 1.661 1 1 955 . 5 1 1 A 70 70 ARG CA C 69 58.510 59.109 -0.599 1 1 956 . 5 1 1 A 70 70 ARG CB C 69 29.587 30.020 -0.433 1 1 960 . 5 1 1 A 70 70 ARG N N 69 116.411 118.738 -2.327 1 1 962 . 5 1 1 A 71 71 ARG H H 70 8.086 8.203 -0.117 1 1 963 . 5 1 1 A 71 71 ARG HA H 70 4.025 4.038 -0.013 1 1 970 . 5 1 1 A 71 71 ARG C C 70 178.558 178.525 0.033 1 1 971 . 5 1 1 A 71 71 ARG CA C 70 59.428 59.057 0.371 1 1 972 . 5 1 1 A 71 71 ARG CB C 70 30.235 30.244 -0.009 1 1 975 . 5 1 1 A 71 71 ARG N N 70 122.779 119.488 3.291 1 1 976 . 5 1 1 A 72 72 LEU H H 71 7.755 7.524 0.231 1 1 977 . 5 1 1 A 72 72 LEU HA H 71 4.081 4.108 -0.027 1 1 987 . 5 1 1 A 72 72 LEU C C 71 174.852 176.441 -1.589 1 1 988 . 5 1 1 A 72 72 LEU CA C 71 55.060 55.301 -0.241 1 1 989 . 5 1 1 A 72 72 LEU CB C 71 43.109 41.749 1.360 1 1 993 . 5 1 1 A 72 72 LEU N N 71 116.551 118.471 -1.920 1 1 994 . 5 1 1 A 73 73 GLN H H 72 7.740 7.877 -0.137 1 1 995 . 5 1 1 A 73 73 GLN HA H 72 3.853 3.941 -0.088 1 1 1002 . 5 1 1 A 73 73 GLN C C 72 175.619 174.842 0.777 1 1 1003 . 5 1 1 A 73 73 GLN CA C 72 56.273 56.508 -0.235 1 1 1004 . 5 1 1 A 73 73 GLN CB C 72 25.939 26.464 -0.525 1 1 1007 . 5 1 1 A 73 73 GLN N N 72 114.737 117.855 -3.118 1 1 1009 . 5 1 1 A 74 74 LEU H H 73 7.525 7.459 0.066 1 1 1010 . 5 1 1 A 74 74 LEU HA H 73 4.242 4.460 -0.218 1 1 1020 . 5 1 1 A 74 74 LEU C C 73 178.611 176.020 2.591 1 1 1021 . 5 1 1 A 74 74 LEU CA C 73 54.382 54.142 0.240 1 1 1022 . 5 1 1 A 74 74 LEU CB C 73 41.995 42.068 -0.073 1 1 1026 . 5 1 1 A 74 74 LEU N N 73 114.861 120.363 -5.502 1 1 1027 . 5 1 1 A 75 75 ASN H H 74 8.970 8.678 0.292 1 1 1028 . 5 1 1 A 75 75 ASN HA H 74 4.694 5.046 -0.352 1 1 1033 . 5 1 1 A 75 75 ASN C C 74 176.527 176.223 0.304 1 1 1034 . 5 1 1 A 75 75 ASN CA C 74 52.686 51.461 1.225 1 1 1035 . 5 1 1 A 75 75 ASN CB C 74 39.583 41.478 -1.895 1 1 1037 . 5 1 1 A 75 75 ASN N N 74 121.274 117.553 3.721 1 1 1039 . 5 1 1 A 76 76 ALA H H 75 8.697 8.706 -0.009 1 1 1040 . 5 1 1 A 76 76 ALA HA H 75 3.966 4.067 -0.101 1 1 1044 . 5 1 1 A 76 76 ALA C C 75 178.002 178.758 -0.756 1 1 1045 . 5 1 1 A 76 76 ALA CA C 75 54.797 54.473 0.324 1 1 1046 . 5 1 1 A 76 76 ALA CB C 75 18.669 18.402 0.267 1 1 1047 . 5 1 1 A 76 76 ALA N N 75 123.590 122.091 1.499 1 1 1048 . 5 1 1 A 77 77 ASN H H 76 8.344 8.297 0.047 1 1 1049 . 5 1 1 A 77 77 ASN HA H 76 4.585 4.625 -0.040 1 1 1054 . 5 1 1 A 77 77 ASN C C 76 175.371 174.977 0.394 1 1 1055 . 5 1 1 A 77 77 ASN CA C 76 53.183 54.016 -0.833 1 1 1056 . 5 1 1 A 77 77 ASN CB C 76 38.277 37.764 0.513 1 1 1058 . 5 1 1 A 77 77 ASN N N 76 112.004 112.700 -0.696 1 1 1060 . 5 1 1 A 78 78 GLN H H 77 7.532 7.545 -0.013 1 1 1061 . 5 1 1 A 78 78 GLN HA H 77 4.281 4.692 -0.411 1 1 1068 . 5 1 1 A 78 78 GLN C C 77 175.001 174.428 0.573 1 1 1069 . 5 1 1 A 78 78 GLN CA C 77 55.875 54.781 1.094 1 1 1070 . 5 1 1 A 78 78 GLN CB C 77 30.227 30.710 -0.483 1 1 1073 . 5 1 1 A 78 78 GLN N N 77 120.237 120.292 -0.055 1 1 1075 . 5 1 1 A 79 79 ALA H H 78 8.732 8.717 0.015 1 1 1076 . 5 1 1 A 79 79 ALA HA H 78 4.183 4.878 -0.695 1 1 1080 . 5 1 1 A 79 79 ALA C C 78 176.367 176.386 -0.019 1 1 1081 . 5 1 1 A 79 79 ALA CA C 78 52.798 51.553 1.245 1 1 1082 . 5 1 1 A 79 79 ALA CB C 78 20.051 20.398 -0.347 1 1 1083 . 5 1 1 A 79 79 ALA N N 78 130.399 129.371 1.028 1 1 1084 . 5 1 1 A 80 80 PHE H H 79 7.603 8.504 -0.901 1 1 1085 . 5 1 1 A 80 80 PHE HA H 79 4.449 5.236 -0.787 1 1 1093 . 5 1 1 A 80 80 PHE C C 79 171.709 173.045 -1.336 1 1 1094 . 5 1 1 A 80 80 PHE CA C 79 59.101 56.807 2.294 1 1 1095 . 5 1 1 A 80 80 PHE CB C 79 42.282 42.598 -0.316 1 1 1099 . 5 1 1 A 80 80 PHE N N 79 118.988 123.353 -4.365 1 1 1100 . 5 1 1 A 81 81 PHE H H 80 8.507 8.904 -0.397 1 1 1101 . 5 1 1 A 81 81 PHE HA H 80 4.421 4.428 -0.007 1 1 1109 . 5 1 1 A 81 81 PHE C C 80 172.644 173.811 -1.167 1 1 1110 . 5 1 1 A 81 81 PHE CA C 80 56.711 55.907 0.804 1 1 1111 . 5 1 1 A 81 81 PHE CB C 80 41.880 42.340 -0.460 1 1 1115 . 5 1 1 A 81 81 PHE N N 80 126.042 124.786 1.256 1 1 1116 . 5 1 1 A 82 82 LEU H H 81 8.199 8.508 -0.309 1 1 1117 . 5 1 1 A 82 82 LEU HA H 81 4.883 4.850 0.033 1 1 1127 . 5 1 1 A 82 82 LEU C C 81 174.440 174.794 -0.354 1 1 1128 . 5 1 1 A 82 82 LEU CA C 81 53.153 54.189 -1.036 1 1 1129 . 5 1 1 A 82 82 LEU CB C 81 45.520 43.344 2.176 1 1 1133 . 5 1 1 A 82 82 LEU N N 81 121.512 125.905 -4.393 1 1 1134 . 5 1 1 A 83 83 LEU H H 82 9.349 9.764 -0.415 1 1 1135 . 5 1 1 A 83 83 LEU HA H 82 4.810 4.627 0.183 1 1 1145 . 5 1 1 A 83 83 LEU C C 82 177.075 175.960 1.115 1 1 1146 . 5 1 1 A 83 83 LEU CA C 82 54.122 54.100 0.022 1 1 1147 . 5 1 1 A 83 83 LEU CB C 82 43.394 41.333 2.061 1 1 1151 . 5 1 1 A 83 83 LEU N N 82 125.253 129.108 -3.855 1 1 1152 . 5 1 1 A 84 84 VAL H H 83 8.681 9.077 -0.396 1 1 1153 . 5 1 1 A 84 84 VAL HA H 83 4.411 4.113 0.298 1 1 1161 . 5 1 1 A 84 84 VAL C C 83 175.797 176.160 -0.363 1 1 1162 . 5 1 1 A 84 84 VAL CA C 83 61.630 61.754 -0.124 1 1 1163 . 5 1 1 A 84 84 VAL CB C 83 33.647 31.113 2.534 1 1 1166 . 5 1 1 A 84 84 VAL N N 83 123.543 125.653 -2.110 1 1 1167 . 5 1 1 A 85 85 ASN H H 84 9.622 9.047 0.575 1 1 1168 . 5 1 1 A 85 85 ASN HA H 84 4.399 4.741 -0.342 1 1 1173 . 5 1 1 A 85 85 ASN C C 84 175.042 175.069 -0.027 1 1 1174 . 5 1 1 A 85 85 ASN CA C 84 54.610 54.166 0.444 1 1 1175 . 5 1 1 A 85 85 ASN CB C 84 37.927 36.867 1.060 1 1 1177 . 5 1 1 A 85 85 ASN N N 84 125.848 127.259 -1.411 1 1 1179 . 5 1 1 A 86 86 GLY H H 85 8.551 8.385 0.166 1 1 1180 . 5 1 1 A 86 86 GLY HA2 H 85 3.368 3.890 -0.522 1 1 1181 . 5 1 1 A 86 86 GLY HA3 H 85 4.064 3.895 0.169 1 1 1182 . 5 1 1 A 86 86 GLY C C 85 173.524 173.726 -0.202 1 1 1183 . 5 1 1 A 86 86 GLY CA C 85 45.588 45.380 0.208 1 1 1184 . 5 1 1 A 86 86 GLY N N 85 101.093 104.967 -3.874 1 1 1185 . 5 1 1 A 87 87 HIS H H 86 7.906 7.408 0.498 1 1 1186 . 5 1 1 A 87 87 HIS HA H 86 5.003 5.214 -0.211 1 1 1191 . 5 1 1 A 87 87 HIS C C 86 173.910 174.322 -0.412 1 1 1192 . 5 1 1 A 87 87 HIS CA C 86 54.213 53.735 0.478 1 1 1193 . 5 1 1 A 87 87 HIS CB C 86 31.482 32.778 -1.296 1 1 1196 . 5 1 1 A 87 87 HIS N N 86 117.253 115.524 1.729 1 1 1197 . 5 1 1 A 88 88 SER H H 87 8.846 8.979 -0.133 1 1 1198 . 5 1 1 A 88 88 SER HA H 87 4.702 4.484 0.218 1 1 1201 . 5 1 1 A 88 88 SER C C 87 175.739 175.180 0.559 1 1 1202 . 5 1 1 A 88 88 SER CA C 87 58.245 58.194 0.051 1 1 1203 . 5 1 1 A 88 88 SER CB C 87 63.764 64.923 -1.159 1 1 1204 . 5 1 1 A 88 88 SER N N 87 117.469 115.625 1.844 1 1 1205 . 5 1 1 A 89 89 MET H H 88 9.174 8.448 0.726 1 1 1206 . 5 1 1 A 89 89 MET HA H 88 4.820 4.940 -0.120 1 1 1214 . 5 1 1 A 89 89 MET C C 88 176.294 177.003 -0.709 1 1 1215 . 5 1 1 A 89 89 MET CA C 88 54.853 54.026 0.827 1 1 1216 . 5 1 1 A 89 89 MET CB C 88 33.183 32.048 1.135 1 1 1219 . 5 1 1 A 89 89 MET N N 88 125.111 118.340 6.771 1 1 1220 . 5 1 1 A 90 90 VAL H H 89 8.217 8.087 0.130 1 1 1221 . 5 1 1 A 90 90 VAL HA H 89 4.063 3.838 0.225 1 1 1229 . 5 1 1 A 90 90 VAL C C 89 176.249 175.866 0.383 1 1 1230 . 5 1 1 A 90 90 VAL CA C 89 63.377 65.125 -1.748 1 1 1231 . 5 1 1 A 90 90 VAL CB C 89 32.473 31.358 1.115 1 1 1234 . 5 1 1 A 90 90 VAL N N 89 120.477 120.740 -0.263 1 1 1235 . 5 1 1 A 91 91 SER H H 90 8.356 7.897 0.459 1 1 1236 . 5 1 1 A 91 91 SER HA H 90 4.614 4.907 -0.293 1 1 1239 . 5 1 1 A 91 91 SER C C 90 175.841 172.551 3.290 1 1 1240 . 5 1 1 A 91 91 SER CA C 90 57.860 56.592 1.268 1 1 1241 . 5 1 1 A 91 91 SER CB C 90 63.398 64.487 -1.089 1 1 1242 . 5 1 1 A 91 91 SER N N 90 116.676 117.309 -0.633 1 1 1243 . 5 1 1 A 92 92 VAL H H 91 8.158 8.960 -0.802 1 1 1244 . 5 1 1 A 92 92 VAL HA H 91 4.245 4.745 -0.500 1 1 1252 . 5 1 1 A 92 92 VAL C C 91 175.856 175.705 0.151 1 1 1253 . 5 1 1 A 92 92 VAL CA C 91 63.121 60.925 2.196 1 1 1254 . 5 1 1 A 92 92 VAL CB C 91 31.872 33.374 -1.502 1 1 1257 . 5 1 1 A 92 92 VAL N N 91 119.994 129.487 -9.493 1 1 1258 . 5 1 1 A 93 93 SER H H 92 8.368 8.836 -0.468 1 1 1259 . 5 1 1 A 93 93 SER HA H 92 4.581 4.809 -0.228 1 1 1262 . 5 1 1 A 93 93 SER C C 92 174.154 173.584 0.570 1 1 1263 . 5 1 1 A 93 93 SER CA C 92 57.706 57.575 0.131 1 1 1264 . 5 1 1 A 93 93 SER CB C 92 63.126 64.525 -1.399 1 1 1265 . 5 1 1 A 93 93 SER N N 92 116.504 123.866 -7.362 1 1 1266 . 5 1 1 A 94 94 THR H H 93 7.427 7.610 -0.183 1 1 1267 . 5 1 1 A 94 94 THR HA H 93 4.464 4.657 -0.193 1 1 1272 . 5 1 1 A 94 94 THR CA C 93 61.032 59.126 1.906 1 1 1273 . 5 1 1 A 94 94 THR CB C 93 70.505 71.578 -1.073 1 1 1275 . 5 1 1 A 94 94 THR N N 93 119.172 116.612 2.560 1 1 1276 . 5 1 1 A 95 95 PRO HA H 94 4.426 4.677 -0.251 1 1 1283 . 5 1 1 A 95 95 PRO C C 94 178.692 178.001 0.691 1 1 1284 . 5 1 1 A 95 95 PRO CA C 94 62.921 62.706 0.215 1 1 1285 . 5 1 1 A 95 95 PRO CB C 94 32.774 32.409 0.365 1 1 1288 . 5 1 1 A 96 96 ILE H H 95 9.324 9.001 0.323 1 1 1289 . 5 1 1 A 96 96 ILE HA H 95 3.956 3.971 -0.015 1 1 1299 . 5 1 1 A 96 96 ILE C C 95 176.415 177.083 -0.668 1 1 1300 . 5 1 1 A 96 96 ILE CA C 95 63.880 63.671 0.209 1 1 1301 . 5 1 1 A 96 96 ILE CB C 95 38.055 37.868 0.187 1 1 1305 . 5 1 1 A 96 96 ILE N N 95 123.862 125.746 -1.884 1 1 1306 . 5 1 1 A 97 97 SER H H 96 8.211 8.085 0.126 1 1 1307 . 5 1 1 A 97 97 SER HA H 96 3.978 4.059 -0.081 1 1 1310 . 5 1 1 A 97 97 SER C C 96 176.494 176.781 -0.287 1 1 1311 . 5 1 1 A 97 97 SER CA C 96 61.576 61.429 0.147 1 1 1312 . 5 1 1 A 97 97 SER CB C 96 61.262 62.980 -1.718 1 1 1313 . 5 1 1 A 97 97 SER N N 96 116.529 117.480 -0.951 1 1 1314 . 5 1 1 A 98 98 GLU H H 97 7.329 8.022 -0.693 1 1 1315 . 5 1 1 A 98 98 GLU HA H 97 4.290 4.268 0.022 1 1 1320 . 5 1 1 A 98 98 GLU C C 97 179.288 178.888 0.400 1 1 1321 . 5 1 1 A 98 98 GLU CA C 97 58.705 59.191 -0.486 1 1 1322 . 5 1 1 A 98 98 GLU CB C 97 29.791 30.322 -0.531 1 1 1324 . 5 1 1 A 98 98 GLU N N 97 122.955 121.876 1.079 1 1 1325 . 5 1 1 A 99 99 VAL H H 98 7.386 8.326 -0.940 1 1 1326 . 5 1 1 A 99 99 VAL HA H 98 3.815 3.775 0.040 1 1 1334 . 5 1 1 A 99 99 VAL C C 98 177.662 178.085 -0.423 1 1 1335 . 5 1 1 A 99 99 VAL CA C 98 65.774 66.022 -0.248 1 1 1336 . 5 1 1 A 99 99 VAL CB C 98 32.047 31.705 0.342 1 1 1339 . 5 1 1 A 99 99 VAL N N 98 120.888 120.861 0.027 1 1 1340 . 5 1 1 A 100 100 TYR H H 99 8.984 7.974 1.010 1 1 1341 . 5 1 1 A 100 100 TYR HA H 99 4.013 4.255 -0.242 1 1 1348 . 5 1 1 A 100 100 TYR C C 99 176.355 178.100 -1.745 1 1 1349 . 5 1 1 A 100 100 TYR CA C 99 62.118 61.042 1.076 1 1 1350 . 5 1 1 A 100 100 TYR CB C 99 38.921 38.533 0.388 1 1 1353 . 5 1 1 A 100 100 TYR N N 99 118.874 120.914 -2.040 1 1 1354 . 5 1 1 A 101 101 GLU H H 100 7.433 8.741 -1.308 1 1 1355 . 5 1 1 A 101 101 GLU HA H 100 3.833 4.119 -0.286 1 1 1360 . 5 1 1 A 101 101 GLU C C 100 177.674 176.816 0.858 1 1 1361 . 5 1 1 A 101 101 GLU CA C 100 58.895 58.020 0.875 1 1 1362 . 5 1 1 A 101 101 GLU CB C 100 29.577 28.762 0.815 1 1 1364 . 5 1 1 A 101 101 GLU N N 100 114.383 117.490 -3.107 1 1 1365 . 5 1 1 A 102 102 SER H H 101 7.423 8.006 -0.583 1 1 1366 . 5 1 1 A 102 102 SER HA H 101 4.552 4.717 -0.165 1 1 1369 . 5 1 1 A 102 102 SER C C 101 176.554 174.610 1.944 1 1 1370 . 5 1 1 A 102 102 SER CA C 101 60.200 58.395 1.805 1 1 1371 . 5 1 1 A 102 102 SER CB C 101 64.828 64.230 0.598 1 1 1372 . 5 1 1 A 102 102 SER N N 101 108.722 115.256 -6.534 1 1 1373 . 5 1 1 A 103 103 GLU H H 102 8.488 7.798 0.690 1 1 1374 . 5 1 1 A 103 103 GLU HA H 102 4.752 4.503 0.249 1 1 1379 . 5 1 1 A 103 103 GLU C C 102 176.653 176.354 0.299 1 1 1380 . 5 1 1 A 103 103 GLU CA C 102 55.464 57.373 -1.909 1 1 1381 . 5 1 1 A 103 103 GLU CB C 102 30.611 32.039 -1.428 1 1 1383 . 5 1 1 A 103 103 GLU N N 102 116.116 118.659 -2.543 1 1 1384 . 5 1 1 A 104 104 ARG H H 103 7.511 7.679 -0.168 1 1 1385 . 5 1 1 A 104 104 ARG HA H 103 4.241 4.173 0.068 1 1 1392 . 5 1 1 A 104 104 ARG C C 103 174.634 174.948 -0.314 1 1 1393 . 5 1 1 A 104 104 ARG CA C 103 56.926 56.172 0.754 1 1 1394 . 5 1 1 A 104 104 ARG CB C 103 29.713 29.954 -0.241 1 1 1397 . 5 1 1 A 104 104 ARG N N 103 117.180 118.161 -0.981 1 1 1398 . 5 1 1 A 105 105 ASP H H 104 9.069 8.024 1.045 1 1 1399 . 5 1 1 A 105 105 ASP HA H 104 4.774 4.977 -0.203 1 1 1402 . 5 1 1 A 105 105 ASP C C 104 177.460 176.095 1.365 1 1 1403 . 5 1 1 A 105 105 ASP CA C 104 53.852 52.033 1.819 1 1 1404 . 5 1 1 A 105 105 ASP CB C 104 43.424 44.047 -0.623 1 1 1405 . 5 1 1 A 105 105 ASP N N 104 123.349 122.820 0.529 1 1 1406 . 5 1 1 A 106 106 GLU H H 105 8.982 8.971 0.011 1 1 1407 . 5 1 1 A 106 106 GLU HA H 105 4.199 3.998 0.201 1 1 1412 . 5 1 1 A 106 106 GLU C C 105 177.398 178.103 -0.705 1 1 1413 . 5 1 1 A 106 106 GLU CA C 105 59.413 60.108 -0.695 1 1 1414 . 5 1 1 A 106 106 GLU CB C 105 29.983 29.506 0.477 1 1 1416 . 5 1 1 A 106 106 GLU N N 105 125.197 122.580 2.617 1 1 1417 . 5 1 1 A 107 107 ASP H H 106 9.873 7.908 1.965 1 1 1418 . 5 1 1 A 107 107 ASP HA H 106 4.211 4.193 0.018 1 1 1421 . 5 1 1 A 107 107 ASP C C 106 175.775 176.727 -0.952 1 1 1422 . 5 1 1 A 107 107 ASP CA C 106 54.698 55.613 -0.915 1 1 1423 . 5 1 1 A 107 107 ASP CB C 106 40.187 40.967 -0.780 1 1 1424 . 5 1 1 A 107 107 ASP N N 106 118.717 117.051 1.666 1 1 1425 . 5 1 1 A 108 108 GLY H H 107 7.971 8.202 -0.231 1 1 1426 . 5 1 1 A 108 108 GLY HA2 H 107 3.431 3.877 -0.446 1 1 1427 . 5 1 1 A 108 108 GLY HA3 H 107 4.526 3.898 0.628 1 1 1428 . 5 1 1 A 108 108 GLY C C 107 175.138 174.219 0.919 1 1 1429 . 5 1 1 A 108 108 GLY CA C 107 45.029 45.582 -0.553 1 1 1430 . 5 1 1 A 108 108 GLY N N 107 105.017 108.530 -3.513 1 1 1431 . 5 1 1 A 109 109 PHE H H 108 9.799 7.505 2.294 1 1 1432 . 5 1 1 A 109 109 PHE HA H 108 4.607 4.852 -0.245 1 1 1440 . 5 1 1 A 109 109 PHE C C 108 175.171 174.880 0.291 1 1 1441 . 5 1 1 A 109 109 PHE CA C 108 60.222 56.573 3.649 1 1 1442 . 5 1 1 A 109 109 PHE CB C 108 40.433 42.514 -2.081 1 1 1446 . 5 1 1 A 109 109 PHE N N 108 123.309 118.847 4.462 1 1 1447 . 5 1 1 A 110 110 LEU H H 109 8.061 8.761 -0.700 1 1 1448 . 5 1 1 A 110 110 LEU HA H 109 5.022 4.396 0.626 1 1 1458 . 5 1 1 A 110 110 LEU C C 109 174.033 175.738 -1.705 1 1 1459 . 5 1 1 A 110 110 LEU CA C 109 53.539 54.779 -1.240 1 1 1460 . 5 1 1 A 110 110 LEU CB C 109 45.284 42.373 2.911 1 1 1464 . 5 1 1 A 110 110 LEU N N 109 119.999 125.115 -5.116 1 1 1465 . 5 1 1 A 111 111 TYR H H 110 9.363 9.230 0.133 1 1 1466 . 5 1 1 A 111 111 TYR HA H 110 4.906 5.044 -0.138 1 1 1473 . 5 1 1 A 111 111 TYR C C 110 176.538 174.743 1.795 1 1 1474 . 5 1 1 A 111 111 TYR CA C 110 59.335 56.533 2.802 1 1 1475 . 5 1 1 A 111 111 TYR CB C 110 39.485 40.017 -0.532 1 1 1478 . 5 1 1 A 111 111 TYR N N 110 126.322 123.382 2.940 1 1 1479 . 5 1 1 A 112 112 MET H H 111 9.496 8.473 1.023 1 1 1480 . 5 1 1 A 112 112 MET HA H 111 5.522 5.183 0.339 1 1 1488 . 5 1 1 A 112 112 MET C C 111 175.676 174.241 1.435 1 1 1489 . 5 1 1 A 112 112 MET CA C 111 54.216 54.386 -0.170 1 1 1490 . 5 1 1 A 112 112 MET CB C 111 36.821 37.183 -0.362 1 1 1493 . 5 1 1 A 112 112 MET N N 111 119.003 123.586 -4.583 1 1 1494 . 5 1 1 A 113 113 VAL H H 112 8.749 8.631 0.118 1 1 1495 . 5 1 1 A 113 113 VAL HA H 112 5.967 5.257 0.710 1 1 1503 . 5 1 1 A 113 113 VAL C C 112 174.893 174.798 0.095 1 1 1504 . 5 1 1 A 113 113 VAL CA C 112 58.896 61.025 -2.129 1 1 1505 . 5 1 1 A 113 113 VAL CB C 112 36.149 34.467 1.682 1 1 1508 . 5 1 1 A 113 113 VAL N N 112 119.658 121.666 -2.008 1 1 1509 . 5 1 1 A 114 114 TYR H H 113 8.210 8.428 -0.218 1 1 1510 . 5 1 1 A 114 114 TYR HA H 113 6.141 6.032 0.109 1 1 1517 . 5 1 1 A 114 114 TYR C C 113 173.353 173.572 -0.219 1 1 1518 . 5 1 1 A 114 114 TYR CA C 113 54.161 54.959 -0.798 1 1 1519 . 5 1 1 A 114 114 TYR CB C 113 43.538 41.799 1.739 1 1 1522 . 5 1 1 A 114 114 TYR N N 113 118.947 122.270 -3.323 1 1 1523 . 5 1 1 A 115 115 ALA H H 114 8.483 8.522 -0.039 1 1 1524 . 5 1 1 A 115 115 ALA HA H 114 4.762 4.931 -0.169 1 1 1528 . 5 1 1 A 115 115 ALA C C 114 176.033 176.076 -0.043 1 1 1529 . 5 1 1 A 115 115 ALA CA C 114 51.223 51.404 -0.181 1 1 1530 . 5 1 1 A 115 115 ALA CB C 114 24.521 22.691 1.830 1 1 1531 . 5 1 1 A 115 115 ALA N N 114 119.557 121.761 -2.204 1 1 1532 . 5 1 1 A 116 116 SER H H 115 9.835 8.566 1.269 1 1 1533 . 5 1 1 A 116 116 SER HA H 115 4.497 5.189 -0.692 1 1 1536 . 5 1 1 A 116 116 SER C C 115 172.664 173.663 -0.999 1 1 1537 . 5 1 1 A 116 116 SER CA C 115 58.669 58.441 0.228 1 1 1538 . 5 1 1 A 116 116 SER CB C 115 63.570 63.701 -0.131 1 1 1539 . 5 1 1 A 116 116 SER N N 115 114.435 113.432 1.003 1 1 1540 . 5 1 1 A 117 117 GLN H H 116 7.180 7.527 -0.347 1 1 1541 . 5 1 1 A 117 117 GLN HA H 116 4.460 4.897 -0.437 1 1 1548 . 5 1 1 A 117 117 GLN C C 116 172.901 175.306 -2.405 1 1 1549 . 5 1 1 A 117 117 GLN CA C 116 53.974 54.447 -0.473 1 1 1550 . 5 1 1 A 117 117 GLN CB C 116 32.192 32.079 0.113 1 1 1553 . 5 1 1 A 117 117 GLN N N 116 116.449 117.505 -1.056 1 1 1555 . 5 1 1 A 118 118 GLU H H 117 7.878 9.005 -1.127 1 1 1556 . 5 1 1 A 118 118 GLU HA H 117 3.259 4.538 -1.279 1 1 1561 . 5 1 1 A 118 118 GLU C C 117 175.233 176.783 -1.550 1 1 1562 . 5 1 1 A 118 118 GLU CA C 117 56.890 56.739 0.151 1 1 1563 . 5 1 1 A 118 118 GLU CB C 117 30.325 30.611 -0.286 1 1 1565 . 5 1 1 A 118 118 GLU N N 117 117.687 122.683 -4.996 1 1 1566 . 5 1 1 A 119 119 THR H H 118 6.968 7.552 -0.584 1 1 1567 . 5 1 1 A 119 119 THR HA H 118 4.082 4.470 -0.388 1 1 1572 . 5 1 1 A 119 119 THR C C 118 173.134 174.560 -1.426 1 1 1573 . 5 1 1 A 119 119 THR CA C 118 60.123 59.768 0.355 1 1 1574 . 5 1 1 A 119 119 THR CB C 118 70.147 68.731 1.416 1 1 1576 . 5 1 1 A 119 119 THR N N 118 109.548 108.024 1.524 1 1 1577 . 5 1 1 A 120 120 PHE H H 119 8.138 8.113 0.025 1 1 1578 . 5 1 1 A 120 120 PHE HA H 119 4.436 4.852 -0.416 1 1 1586 . 5 1 1 A 120 120 PHE C C 119 174.902 176.214 -1.312 1 1 1587 . 5 1 1 A 120 120 PHE CA C 119 56.750 57.272 -0.522 1 1 1588 . 5 1 1 A 120 120 PHE CB C 119 39.411 41.013 -1.602 1 1 1592 . 5 1 1 A 120 120 PHE N N 119 121.777 121.057 0.720 1 1 1607 . 5 2 2 B 2 2 SER H H 332 8.471 8.828 -0.357 1 1 1608 . 5 2 2 B 2 2 SER HA H 332 4.484 5.165 -0.681 1 1 1611 . 5 2 2 B 2 2 SER C C 332 174.962 173.797 1.165 1 1 1612 . 5 2 2 B 2 2 SER CA C 332 88.436 56.921 31.515 1 1 1613 . 5 2 2 B 2 2 SER CB C 332 93.927 66.064 27.863 1 1 1614 . 5 2 2 B 2 2 SER N N 332 147.261 117.784 29.477 1 1 1615 . 5 2 2 B 3 3 GLY H H 333 8.601 8.543 0.058 1 1 1616 . 5 2 2 B 3 3 GLY HA2 H 333 4.022 3.668 0.354 1 1 1617 . 5 2 2 B 3 3 GLY HA3 H 333 4.022 3.668 0.354 1 1 1618 . 5 2 2 B 3 3 GLY C C 333 174.774 175.486 -0.712 1 1 1619 . 5 2 2 B 3 3 GLY CA C 333 75.465 46.729 28.736 1 1 1620 . 5 2 2 B 3 3 GLY N N 333 141.077 109.865 31.212 1 1 1621 . 5 2 2 B 4 4 GLY H H 334 8.372 8.623 -0.251 1 1 1622 . 5 2 2 B 4 4 GLY HA2 H 334 3.980 4.187 -0.207 1 1 1623 . 5 2 2 B 4 4 GLY HA3 H 334 3.980 4.187 -0.207 1 1 1624 . 5 2 2 B 4 4 GLY C C 334 174.758 173.563 1.195 1 1 1625 . 5 2 2 B 4 4 GLY CA C 334 75.674 44.662 31.012 1 1 1626 . 5 2 2 B 4 4 GLY N N 334 138.894 115.291 23.603 1 1 1627 . 5 2 2 B 5 5 ASP H H 335 8.429 8.833 -0.404 1 1 1628 . 5 2 2 B 5 5 ASP HA H 335 4.610 4.880 -0.270 1 1 1631 . 5 2 2 B 5 5 ASP CA C 335 85.066 53.034 32.032 1 1 1632 . 5 2 2 B 5 5 ASP CB C 335 71.191 38.961 32.230 1 1 1633 . 5 2 2 B 5 5 ASP N N 335 149.637 123.060 26.577 1 1 1634 . 5 2 2 B 6 6 ASP H H 336 8.244 8.165 0.079 1 1 1635 . 5 2 2 B 6 6 ASP HA H 336 4.559 4.537 0.022 1 1 1638 . 5 2 2 B 6 6 ASP C C 336 175.432 176.037 -0.605 1 1 1639 . 5 2 2 B 6 6 ASP CA C 336 84.708 56.556 28.152 1 1 1640 . 5 2 2 B 6 6 ASP CB C 336 71.552 41.098 30.454 1 1 1641 . 5 2 2 B 6 6 ASP N N 336 148.885 123.815 25.070 1 1 1642 . 5 2 2 B 7 7 ASP H H 337 7.803 7.880 -0.077 1 1 1643 . 5 2 2 B 7 7 ASP HA H 337 4.655 5.008 -0.353 1 1 1646 . 5 2 2 B 7 7 ASP C C 337 175.362 174.908 0.454 1 1 1647 . 5 2 2 B 7 7 ASP CA C 337 83.670 52.594 31.076 1 1 1648 . 5 2 2 B 7 7 ASP CB C 337 71.933 43.011 28.922 1 1 1649 . 5 2 2 B 7 7 ASP N N 337 149.563 116.665 32.898 1 1 1650 . 5 2 2 B 8 8 TRP H H 338 8.472 8.317 0.155 1 1 1651 . 5 2 2 B 8 8 TRP HA H 338 4.174 4.769 -0.595 1 1 1660 . 5 2 2 B 8 8 TRP C C 338 175.959 176.325 -0.366 1 1 1661 . 5 2 2 B 8 8 TRP CA C 338 87.020 57.566 29.454 1 1 1662 . 5 2 2 B 8 8 TRP CB C 338 61.223 30.261 30.962 1 1 1668 . 5 2 2 B 8 8 TRP N N 338 150.172 125.216 24.956 1 1 1670 . 5 2 2 B 9 9 THR H H 339 7.994 8.398 -0.404 1 1 1671 . 5 2 2 B 9 9 THR HA H 339 4.533 4.457 0.076 1 1 1676 . 5 2 2 B 9 9 THR C C 339 174.035 173.659 0.376 1 1 1677 . 5 2 2 B 9 9 THR CA C 339 92.659 60.703 31.956 1 1 1678 . 5 2 2 B 9 9 THR CB C 339 99.436 70.149 29.287 1 1 1680 . 5 2 2 B 9 9 THR N N 339 149.503 115.697 33.806 1 1 1681 . 5 2 2 B 10 10 HIS H H 340 9.463 7.748 1.715 1 1 1682 . 5 2 2 B 10 10 HIS HA H 340 4.677 5.254 -0.577 1 1 1687 . 5 2 2 B 10 10 HIS C C 340 175.606 174.850 0.756 1 1 1688 . 5 2 2 B 10 10 HIS CA C 340 87.024 54.201 32.823 1 1 1689 . 5 2 2 B 10 10 HIS CB C 340 61.368 31.291 30.077 1 1 1692 . 5 2 2 B 10 10 HIS N N 340 159.135 123.746 35.389 1 1 1693 . 5 2 2 B 11 11 LEU H H 341 8.398 9.138 -0.740 1 1 1694 . 5 2 2 B 11 11 LEU HA H 341 4.848 4.787 0.061 1 1 1704 . 5 2 2 B 11 11 LEU C C 341 175.919 176.033 -0.114 1 1 1705 . 5 2 2 B 11 11 LEU CA C 341 83.684 54.183 29.501 1 1 1706 . 5 2 2 B 11 11 LEU CB C 341 73.601 42.460 31.141 1 1 1710 . 5 2 2 B 11 11 LEU N N 341 153.300 126.130 27.170 1 1 1711 . 5 2 2 B 12 12 SER H H 342 8.382 9.065 -0.683 1 1 1712 . 5 2 2 B 12 12 SER HA H 342 4.652 5.092 -0.440 1 1 1715 . 5 2 2 B 12 12 SER C C 342 174.263 174.400 -0.137 1 1 1716 . 5 2 2 B 12 12 SER CA C 342 86.841 57.614 29.227 1 1 1717 . 5 2 2 B 12 12 SER CB C 342 95.113 64.506 30.607 1 1 1718 . 5 2 2 B 12 12 SER N N 342 144.018 123.141 20.877 1 1 1719 . 5 2 2 B 13 13 SER H H 343 8.937 8.857 0.080 1 1 1720 . 5 2 2 B 13 13 SER HA H 343 4.291 4.575 -0.284 1 1 1723 . 5 2 2 B 13 13 SER C C 343 174.652 175.025 -0.373 1 1 1724 . 5 2 2 B 13 13 SER CA C 343 89.546 58.665 30.881 1 1 1725 . 5 2 2 B 13 13 SER CB C 343 93.470 63.264 30.206 1 1 1726 . 5 2 2 B 13 13 SER N N 343 148.575 122.185 26.390 1 1 1727 . 5 2 2 B 14 14 LYS H H 344 8.250 8.020 0.230 1 1 1728 . 5 2 2 B 14 14 LYS HA H 344 4.319 4.358 -0.039 1 1 1737 . 5 2 2 B 14 14 LYS C C 344 176.699 177.537 -0.838 1 1 1738 . 5 2 2 B 14 14 LYS CA C 344 86.716 57.777 28.939 1 1 1739 . 5 2 2 B 14 14 LYS CB C 344 62.831 33.595 29.236 1 1 1743 . 5 2 2 B 14 14 LYS N N 344 151.908 118.779 33.129 1 1 1744 . 5 2 2 B 15 15 GLU H H 345 8.256 7.747 0.509 1 1 1745 . 5 2 2 B 15 15 GLU HA H 345 4.240 4.374 -0.134 1 1 1750 . 5 2 2 B 15 15 GLU C C 345 176.152 176.125 0.027 1 1 1751 . 5 2 2 B 15 15 GLU CA C 345 87.152 56.764 30.388 1 1 1752 . 5 2 2 B 15 15 GLU CB C 345 60.176 30.113 30.063 1 1 1754 . 5 2 2 B 15 15 GLU N N 345 150.679 117.880 32.799 1 1 1755 . 5 2 2 B 16 16 VAL H H 346 7.762 7.370 0.392 1 1 1756 . 5 2 2 B 16 16 VAL HA H 346 4.161 4.164 -0.003 1 1 1764 . 5 2 2 B 16 16 VAL C C 346 174.646 175.743 -1.097 1 1 1765 . 5 2 2 B 16 16 VAL CA C 346 91.707 61.097 30.610 1 1 1766 . 5 2 2 B 16 16 VAL CB C 346 63.107 33.164 29.943 1 1 1769 . 5 2 2 B 16 16 VAL N N 346 146.718 116.956 29.762 1 1 9 . 6 1 1 A 2 2 MET H H 1 8.414 8.638 -0.224 1 1 10 . 6 1 1 A 2 2 MET HA H 1 4.826 4.420 0.406 1 1 18 . 6 1 1 A 2 2 MET CA C 1 53.382 57.317 -3.935 1 1 19 . 6 1 1 A 2 2 MET CB C 1 32.478 31.412 1.066 1 1 22 . 6 1 1 A 2 2 MET N N 1 122.882 124.306 -1.424 1 1 23 . 6 1 1 A 3 3 PRO HA H 2 4.425 4.395 0.030 1 1 30 . 6 1 1 A 3 3 PRO C C 2 176.847 176.439 0.408 1 1 31 . 6 1 1 A 3 3 PRO CA C 2 63.386 65.802 -2.416 1 1 32 . 6 1 1 A 3 3 PRO CB C 2 32.077 31.435 0.642 1 1 35 . 6 1 1 A 4 4 SER H H 3 8.347 7.894 0.453 1 1 36 . 6 1 1 A 4 4 SER HA H 3 4.391 4.497 -0.106 1 1 39 . 6 1 1 A 4 4 SER C C 3 174.643 174.181 0.462 1 1 40 . 6 1 1 A 4 4 SER CA C 3 58.336 60.050 -1.714 1 1 41 . 6 1 1 A 4 4 SER CB C 3 63.798 63.914 -0.116 1 1 42 . 6 1 1 A 4 4 SER N N 3 115.234 113.359 1.875 1 1 43 . 6 1 1 A 5 5 GLU H H 4 8.472 8.855 -0.383 1 1 44 . 6 1 1 A 5 5 GLU HA H 4 4.297 4.913 -0.616 1 1 49 . 6 1 1 A 5 5 GLU C C 4 176.352 175.221 1.131 1 1 50 . 6 1 1 A 5 5 GLU CA C 4 56.572 54.693 1.879 1 1 51 . 6 1 1 A 5 5 GLU CB C 4 30.285 32.776 -2.491 1 1 53 . 6 1 1 A 5 5 GLU N N 4 123.045 121.679 1.366 1 1 54 . 6 1 1 A 6 6 LYS H H 5 8.214 8.293 -0.079 1 1 55 . 6 1 1 A 6 6 LYS HA H 5 4.500 4.415 0.085 1 1 64 . 6 1 1 A 6 6 LYS C C 5 177.243 176.001 1.242 1 1 65 . 6 1 1 A 6 6 LYS CA C 5 55.943 56.488 -0.545 1 1 66 . 6 1 1 A 6 6 LYS CB C 5 34.621 33.414 1.207 1 1 70 . 6 1 1 A 6 6 LYS N N 5 121.467 121.317 0.150 1 1 71 . 6 1 1 A 7 7 THR H H 6 8.431 8.128 0.303 1 1 72 . 6 1 1 A 7 7 THR HA H 6 4.383 4.748 -0.365 1 1 77 . 6 1 1 A 7 7 THR C C 6 175.360 175.520 -0.160 1 1 78 . 6 1 1 A 7 7 THR CA C 6 61.124 59.369 1.755 1 1 79 . 6 1 1 A 7 7 THR CB C 6 69.863 70.845 -0.982 1 1 81 . 6 1 1 A 7 7 THR N N 6 114.691 114.389 0.302 1 1 82 . 6 1 1 A 8 8 PHE H H 7 10.194 9.297 0.897 1 1 83 . 6 1 1 A 8 8 PHE HA H 7 3.904 4.215 -0.311 1 1 88 . 6 1 1 A 8 8 PHE C C 7 177.000 177.491 -0.491 1 1 89 . 6 1 1 A 8 8 PHE CA C 7 63.388 60.562 2.826 1 1 90 . 6 1 1 A 8 8 PHE CB C 7 39.586 38.825 0.761 1 1 92 . 6 1 1 A 8 8 PHE N N 7 124.861 128.047 -3.186 1 1 93 . 6 1 1 A 9 9 LYS H H 8 8.707 8.242 0.465 1 1 94 . 6 1 1 A 9 9 LYS HA H 8 3.761 3.917 -0.156 1 1 103 . 6 1 1 A 9 9 LYS C C 8 177.496 178.779 -1.283 1 1 104 . 6 1 1 A 9 9 LYS CA C 8 59.945 58.889 1.056 1 1 105 . 6 1 1 A 9 9 LYS CB C 8 33.870 31.525 2.345 1 1 109 . 6 1 1 A 9 9 LYS N N 8 114.189 117.203 -3.014 1 1 110 . 6 1 1 A 10 10 GLN H H 9 7.284 8.119 -0.835 1 1 111 . 6 1 1 A 10 10 GLN HA H 9 4.113 4.089 0.024 1 1 118 . 6 1 1 A 10 10 GLN C C 9 177.416 178.129 -0.713 1 1 119 . 6 1 1 A 10 10 GLN CA C 9 56.743 58.313 -1.570 1 1 120 . 6 1 1 A 10 10 GLN CB C 9 30.002 28.974 1.028 1 1 123 . 6 1 1 A 10 10 GLN N N 9 112.843 118.988 -6.145 1 1 125 . 6 1 1 A 11 11 ARG H H 10 7.889 8.480 -0.591 1 1 126 . 6 1 1 A 11 11 ARG HA H 10 4.255 3.949 0.306 1 1 133 . 6 1 1 A 11 11 ARG C C 10 175.059 176.780 -1.721 1 1 134 . 6 1 1 A 11 11 ARG CA C 10 57.018 59.561 -2.543 1 1 135 . 6 1 1 A 11 11 ARG CB C 10 31.628 30.267 1.361 1 1 138 . 6 1 1 A 11 11 ARG N N 10 117.567 121.243 -3.676 1 1 139 . 6 1 1 A 12 12 ARG H H 11 7.443 7.830 -0.387 1 1 140 . 6 1 1 A 12 12 ARG HA H 11 4.493 4.311 0.182 1 1 147 . 6 1 1 A 12 12 ARG CA C 11 54.172 57.275 -3.103 1 1 148 . 6 1 1 A 12 12 ARG CB C 11 32.857 30.560 2.297 1 1 151 . 6 1 1 A 12 12 ARG N N 11 122.786 120.370 2.416 1 1 152 . 6 1 1 A 13 13 SER HA H 12 4.403 4.475 -0.072 1 1 155 . 6 1 1 A 13 13 SER C C 12 174.222 175.479 -1.257 1 1 156 . 6 1 1 A 13 13 SER CA C 12 58.274 59.884 -1.610 1 1 157 . 6 1 1 A 13 13 SER CB C 12 64.821 63.251 1.570 1 1 158 . 6 1 1 A 14 14 PHE H H 13 9.239 9.099 0.140 1 1 159 . 6 1 1 A 14 14 PHE HA H 13 4.035 4.092 -0.057 1 1 165 . 6 1 1 A 14 14 PHE C C 13 176.023 177.157 -1.134 1 1 166 . 6 1 1 A 14 14 PHE CA C 13 62.790 62.727 0.063 1 1 167 . 6 1 1 A 14 14 PHE CB C 13 39.580 39.691 -0.111 1 1 169 . 6 1 1 A 14 14 PHE N N 13 123.729 127.504 -3.775 1 1 170 . 6 1 1 A 15 15 GLU H H 14 9.093 8.417 0.676 1 1 171 . 6 1 1 A 15 15 GLU HA H 14 3.813 4.079 -0.266 1 1 176 . 6 1 1 A 15 15 GLU C C 14 179.549 178.670 0.879 1 1 177 . 6 1 1 A 15 15 GLU CA C 14 60.444 59.130 1.314 1 1 178 . 6 1 1 A 15 15 GLU CB C 14 28.804 29.362 -0.558 1 1 180 . 6 1 1 A 15 15 GLU N N 14 115.336 117.937 -2.601 1 1 181 . 6 1 1 A 16 16 GLN H H 15 7.752 8.265 -0.513 1 1 182 . 6 1 1 A 16 16 GLN HA H 15 4.044 4.022 0.022 1 1 189 . 6 1 1 A 16 16 GLN C C 15 177.931 178.194 -0.263 1 1 190 . 6 1 1 A 16 16 GLN CA C 15 58.486 58.979 -0.493 1 1 191 . 6 1 1 A 16 16 GLN CB C 15 29.393 28.437 0.956 1 1 194 . 6 1 1 A 16 16 GLN N N 15 119.145 119.782 -0.637 1 1 196 . 6 1 1 A 17 17 ARG H H 16 8.577 8.238 0.339 1 1 197 . 6 1 1 A 17 17 ARG HA H 16 4.280 4.238 0.042 1 1 202 . 6 1 1 A 17 17 ARG C C 16 177.128 179.155 -2.027 1 1 203 . 6 1 1 A 17 17 ARG CA C 16 61.442 59.117 2.325 1 1 204 . 6 1 1 A 17 17 ARG N N 16 121.288 118.915 2.373 1 1 205 . 6 1 1 A 18 18 VAL H H 17 8.329 8.147 0.182 1 1 206 . 6 1 1 A 18 18 VAL HA H 17 3.938 3.529 0.409 1 1 214 . 6 1 1 A 18 18 VAL C C 17 179.744 177.751 1.993 1 1 215 . 6 1 1 A 18 18 VAL CA C 17 65.441 66.427 -0.986 1 1 216 . 6 1 1 A 18 18 VAL CB C 17 32.080 31.600 0.480 1 1 219 . 6 1 1 A 18 18 VAL N N 17 116.752 120.150 -3.398 1 1 220 . 6 1 1 A 19 19 GLU H H 18 7.445 8.724 -1.279 1 1 221 . 6 1 1 A 19 19 GLU HA H 18 4.270 3.869 0.401 1 1 226 . 6 1 1 A 19 19 GLU C C 18 177.625 178.214 -0.589 1 1 227 . 6 1 1 A 19 19 GLU CA C 18 58.637 59.789 -1.152 1 1 228 . 6 1 1 A 19 19 GLU CB C 18 29.398 29.354 0.044 1 1 230 . 6 1 1 A 19 19 GLU N N 18 120.323 120.529 -0.206 1 1 231 . 6 1 1 A 20 20 ASP H H 19 8.690 8.549 0.141 1 1 232 . 6 1 1 A 20 20 ASP HA H 19 4.514 4.410 0.104 1 1 235 . 6 1 1 A 20 20 ASP C C 19 179.877 178.660 1.217 1 1 236 . 6 1 1 A 20 20 ASP CA C 19 57.224 57.480 -0.256 1 1 237 . 6 1 1 A 20 20 ASP CB C 19 41.487 41.789 -0.302 1 1 238 . 6 1 1 A 20 20 ASP N N 19 120.313 120.477 -0.164 1 1 239 . 6 1 1 A 21 21 VAL H H 20 7.731 7.855 -0.124 1 1 240 . 6 1 1 A 21 21 VAL HA H 20 3.394 3.219 0.175 1 1 248 . 6 1 1 A 21 21 VAL C C 20 176.989 178.020 -1.031 1 1 249 . 6 1 1 A 21 21 VAL CA C 20 65.989 66.438 -0.449 1 1 250 . 6 1 1 A 21 21 VAL CB C 20 31.291 31.452 -0.161 1 1 253 . 6 1 1 A 21 21 VAL N N 20 119.119 119.797 -0.678 1 1 254 . 6 1 1 A 22 22 ARG H H 21 8.313 7.814 0.499 1 1 255 . 6 1 1 A 22 22 ARG HA H 21 3.825 3.989 -0.164 1 1 263 . 6 1 1 A 22 22 ARG C C 21 180.178 178.499 1.679 1 1 264 . 6 1 1 A 22 22 ARG CA C 21 59.821 59.591 0.230 1 1 265 . 6 1 1 A 22 22 ARG CB C 21 30.164 29.826 0.338 1 1 269 . 6 1 1 A 22 22 ARG N N 21 120.772 120.314 0.458 1 1 271 . 6 1 1 A 23 23 LEU H H 22 8.306 7.700 0.606 1 1 272 . 6 1 1 A 23 23 LEU HA H 22 4.076 3.985 0.091 1 1 282 . 6 1 1 A 23 23 LEU C C 22 180.221 179.327 0.894 1 1 283 . 6 1 1 A 23 23 LEU CA C 22 57.541 57.915 -0.374 1 1 284 . 6 1 1 A 23 23 LEU CB C 22 42.300 41.946 0.354 1 1 288 . 6 1 1 A 23 23 LEU N N 22 116.413 119.280 -2.867 1 1 289 . 6 1 1 A 24 24 ILE H H 23 7.864 8.133 -0.269 1 1 290 . 6 1 1 A 24 24 ILE HA H 23 4.090 3.735 0.355 1 1 300 . 6 1 1 A 24 24 ILE C C 23 177.922 178.403 -0.481 1 1 301 . 6 1 1 A 24 24 ILE CA C 23 60.190 64.620 -4.430 1 1 302 . 6 1 1 A 24 24 ILE CB C 23 38.072 37.303 0.769 1 1 306 . 6 1 1 A 24 24 ILE N N 23 121.259 118.594 2.665 1 1 307 . 6 1 1 A 25 25 ARG H H 24 8.339 8.308 0.031 1 1 308 . 6 1 1 A 25 25 ARG HA H 24 3.973 3.998 -0.025 1 1 316 . 6 1 1 A 25 25 ARG C C 24 178.479 178.278 0.201 1 1 317 . 6 1 1 A 25 25 ARG CA C 24 57.337 59.357 -2.020 1 1 318 . 6 1 1 A 25 25 ARG CB C 24 28.663 29.918 -1.255 1 1 322 . 6 1 1 A 25 25 ARG N N 24 121.816 122.363 -0.547 1 1 324 . 6 1 1 A 26 26 GLU H H 25 7.133 8.361 -1.228 1 1 325 . 6 1 1 A 26 26 GLU HA H 25 4.052 4.261 -0.209 1 1 330 . 6 1 1 A 26 26 GLU C C 25 178.158 176.752 1.406 1 1 331 . 6 1 1 A 26 26 GLU CA C 25 58.367 57.275 1.092 1 1 332 . 6 1 1 A 26 26 GLU CB C 25 29.903 30.097 -0.194 1 1 334 . 6 1 1 A 26 26 GLU N N 25 116.794 117.202 -0.408 1 1 335 . 6 1 1 A 27 27 GLN H H 26 7.283 7.859 -0.576 1 1 336 . 6 1 1 A 27 27 GLN HA H 26 3.888 4.357 -0.469 1 1 343 . 6 1 1 A 27 27 GLN C C 26 176.088 175.846 0.242 1 1 344 . 6 1 1 A 27 27 GLN CA C 26 57.676 57.184 0.492 1 1 345 . 6 1 1 A 27 27 GLN CB C 26 30.382 30.556 -0.174 1 1 348 . 6 1 1 A 27 27 GLN N N 26 116.373 117.979 -1.606 1 1 350 . 6 1 1 A 28 28 HIS H H 27 8.223 8.601 -0.378 1 1 351 . 6 1 1 A 28 28 HIS HA H 27 4.941 5.077 -0.136 1 1 356 . 6 1 1 A 28 28 HIS CA C 27 53.278 53.158 0.120 1 1 357 . 6 1 1 A 28 28 HIS CB C 27 30.933 29.849 1.084 1 1 360 . 6 1 1 A 28 28 HIS N N 27 115.408 116.170 -0.762 1 1 361 . 6 1 1 A 29 29 PRO HA H 28 4.562 4.370 0.192 1 1 368 . 6 1 1 A 29 29 PRO C C 28 178.046 177.470 0.576 1 1 369 . 6 1 1 A 29 29 PRO CA C 28 64.821 64.491 0.330 1 1 370 . 6 1 1 A 29 29 PRO CB C 28 32.447 31.980 0.467 1 1 373 . 6 1 1 A 30 30 THR H H 29 7.820 7.788 0.032 1 1 374 . 6 1 1 A 30 30 THR HA H 29 4.583 4.361 0.222 1 1 379 . 6 1 1 A 30 30 THR C C 29 172.723 173.360 -0.637 1 1 380 . 6 1 1 A 30 30 THR CA C 29 60.826 61.506 -0.680 1 1 381 . 6 1 1 A 30 30 THR CB C 29 68.641 69.018 -0.377 1 1 383 . 6 1 1 A 30 30 THR N N 29 106.682 107.714 -1.032 1 1 384 . 6 1 1 A 31 31 LYS H H 30 7.453 7.498 -0.045 1 1 385 . 6 1 1 A 31 31 LYS HA H 30 4.850 4.993 -0.143 1 1 394 . 6 1 1 A 31 31 LYS C C 30 174.296 174.909 -0.613 1 1 395 . 6 1 1 A 31 31 LYS CA C 30 53.944 54.507 -0.563 1 1 396 . 6 1 1 A 31 31 LYS CB C 30 36.098 36.818 -0.720 1 1 400 . 6 1 1 A 31 31 LYS N N 30 117.809 120.428 -2.619 1 1 401 . 6 1 1 A 32 32 ILE H H 31 9.265 9.328 -0.063 1 1 402 . 6 1 1 A 32 32 ILE HA H 31 4.106 4.193 -0.087 1 1 412 . 6 1 1 A 32 32 ILE CA C 31 54.606 57.640 -3.034 1 1 413 . 6 1 1 A 32 32 ILE CB C 31 38.448 38.394 0.054 1 1 417 . 6 1 1 A 32 32 ILE N N 31 122.497 123.195 -0.698 1 1 418 . 6 1 1 A 33 33 PRO HA H 32 5.252 4.844 0.408 1 1 425 . 6 1 1 A 33 33 PRO C C 32 174.652 176.717 -2.065 1 1 426 . 6 1 1 A 33 33 PRO CA C 32 61.704 62.557 -0.853 1 1 427 . 6 1 1 A 33 33 PRO CB C 32 31.873 31.671 0.202 1 1 430 . 6 1 1 A 34 34 VAL H H 33 9.359 8.112 1.247 1 1 431 . 6 1 1 A 34 34 VAL HA H 33 5.298 5.107 0.191 1 1 439 . 6 1 1 A 34 34 VAL C C 33 173.633 174.954 -1.321 1 1 440 . 6 1 1 A 34 34 VAL CA C 33 59.830 59.468 0.362 1 1 441 . 6 1 1 A 34 34 VAL CB C 33 36.154 36.097 0.057 1 1 444 . 6 1 1 A 34 34 VAL N N 33 124.496 116.894 7.602 1 1 445 . 6 1 1 A 35 35 ILE H H 34 8.667 9.264 -0.597 1 1 446 . 6 1 1 A 35 35 ILE HA H 34 4.867 4.698 0.169 1 1 456 . 6 1 1 A 35 35 ILE C C 34 175.770 174.882 0.888 1 1 457 . 6 1 1 A 35 35 ILE CA C 34 56.320 60.386 -4.066 1 1 458 . 6 1 1 A 35 35 ILE CB C 34 36.909 39.313 -2.404 1 1 462 . 6 1 1 A 35 35 ILE N N 34 127.447 122.966 4.481 1 1 463 . 6 1 1 A 36 36 ILE H H 35 8.422 8.849 -0.427 1 1 464 . 6 1 1 A 36 36 ILE HA H 35 4.890 5.275 -0.385 1 1 474 . 6 1 1 A 36 36 ILE C C 35 175.098 174.943 0.155 1 1 475 . 6 1 1 A 36 36 ILE CA C 35 60.806 60.556 0.250 1 1 476 . 6 1 1 A 36 36 ILE CB C 35 39.357 38.749 0.608 1 1 480 . 6 1 1 A 36 36 ILE N N 35 124.267 128.772 -4.505 1 1 481 . 6 1 1 A 37 37 GLU H H 36 8.335 8.806 -0.471 1 1 482 . 6 1 1 A 37 37 GLU HA H 36 4.820 4.936 -0.116 1 1 487 . 6 1 1 A 37 37 GLU C C 36 173.502 175.271 -1.769 1 1 488 . 6 1 1 A 37 37 GLU CA C 36 54.214 53.903 0.311 1 1 489 . 6 1 1 A 37 37 GLU CB C 36 35.547 31.955 3.592 1 1 491 . 6 1 1 A 37 37 GLU N N 36 123.296 124.622 -1.326 1 1 492 . 6 1 1 A 38 38 ARG H H 37 8.891 8.035 0.856 1 1 493 . 6 1 1 A 38 38 ARG HA H 37 2.755 3.637 -0.882 1 1 501 . 6 1 1 A 38 38 ARG C C 37 176.165 175.223 0.942 1 1 502 . 6 1 1 A 38 38 ARG CA C 37 56.235 55.814 0.421 1 1 503 . 6 1 1 A 38 38 ARG CB C 37 31.328 30.626 0.702 1 1 507 . 6 1 1 A 38 38 ARG N N 37 123.143 120.230 2.913 1 1 509 . 6 1 1 A 39 39 TYR H H 38 8.681 8.026 0.655 1 1 510 . 6 1 1 A 39 39 TYR HA H 38 4.331 4.520 -0.189 1 1 517 . 6 1 1 A 39 39 TYR C C 38 177.064 175.554 1.510 1 1 518 . 6 1 1 A 39 39 TYR CA C 38 57.769 59.227 -1.458 1 1 519 . 6 1 1 A 39 39 TYR CB C 38 39.552 39.023 0.529 1 1 522 . 6 1 1 A 39 39 TYR N N 38 128.699 122.730 5.969 1 1 523 . 6 1 1 A 40 40 LYS H H 39 8.454 7.780 0.674 1 1 524 . 6 1 1 A 40 40 LYS HA H 39 3.841 4.038 -0.197 1 1 533 . 6 1 1 A 40 40 LYS C C 39 176.290 177.126 -0.836 1 1 534 . 6 1 1 A 40 40 LYS CA C 39 58.772 57.139 1.633 1 1 535 . 6 1 1 A 40 40 LYS CB C 39 31.738 30.907 0.831 1 1 539 . 6 1 1 A 40 40 LYS N N 39 130.022 125.344 4.678 1 1 540 . 6 1 1 A 41 41 GLY H H 40 5.457 8.443 -2.986 1 1 541 . 6 1 1 A 41 41 GLY HA2 H 40 3.306 4.033 -0.727 1 1 542 . 6 1 1 A 41 41 GLY HA3 H 40 3.999 4.102 -0.103 1 1 543 . 6 1 1 A 41 41 GLY C C 40 173.426 173.922 -0.496 1 1 544 . 6 1 1 A 41 41 GLY CA C 40 44.673 45.370 -0.697 1 1 545 . 6 1 1 A 41 41 GLY N N 40 104.628 113.135 -8.507 1 1 546 . 6 1 1 A 42 42 GLU H H 41 7.440 7.628 -0.188 1 1 547 . 6 1 1 A 42 42 GLU HA H 41 4.278 4.638 -0.360 1 1 552 . 6 1 1 A 42 42 GLU C C 41 176.306 176.688 -0.382 1 1 553 . 6 1 1 A 42 42 GLU CA C 41 56.358 55.169 1.189 1 1 554 . 6 1 1 A 42 42 GLU CB C 41 31.014 31.119 -0.105 1 1 556 . 6 1 1 A 42 42 GLU N N 41 122.648 120.338 2.310 1 1 557 . 6 1 1 A 43 43 LYS H H 42 8.912 8.451 0.461 1 1 558 . 6 1 1 A 43 43 LYS HA H 42 4.680 4.719 -0.039 1 1 567 . 6 1 1 A 43 43 LYS C C 42 177.063 178.473 -1.410 1 1 568 . 6 1 1 A 43 43 LYS CA C 42 55.652 56.992 -1.340 1 1 569 . 6 1 1 A 43 43 LYS CB C 42 34.871 33.780 1.091 1 1 573 . 6 1 1 A 43 43 LYS N N 42 123.569 122.935 0.634 1 1 574 . 6 1 1 A 44 44 GLN H H 43 8.446 8.163 0.283 1 1 575 . 6 1 1 A 44 44 GLN HA H 43 4.545 4.040 0.505 1 1 582 . 6 1 1 A 44 44 GLN C C 43 177.152 177.048 0.104 1 1 583 . 6 1 1 A 44 44 GLN CA C 43 57.561 58.578 -1.017 1 1 584 . 6 1 1 A 44 44 GLN CB C 43 30.671 28.633 2.038 1 1 587 . 6 1 1 A 44 44 GLN N N 43 118.990 118.297 0.693 1 1 589 . 6 1 1 A 45 45 LEU H H 44 9.043 8.088 0.955 1 1 590 . 6 1 1 A 45 45 LEU HA H 44 4.716 4.463 0.253 1 1 600 . 6 1 1 A 45 45 LEU CA C 44 53.078 53.963 -0.885 1 1 601 . 6 1 1 A 45 45 LEU CB C 44 43.614 41.177 2.437 1 1 605 . 6 1 1 A 45 45 LEU N N 44 120.375 120.259 0.116 1 1 606 . 6 1 1 A 46 46 PRO HA H 45 4.723 4.637 0.086 1 1 613 . 6 1 1 A 46 46 PRO C C 45 175.883 176.146 -0.263 1 1 614 . 6 1 1 A 46 46 PRO CA C 45 62.005 62.256 -0.251 1 1 615 . 6 1 1 A 46 46 PRO CB C 45 32.609 32.400 0.209 1 1 618 . 6 1 1 A 47 47 VAL H H 46 8.437 8.486 -0.049 1 1 619 . 6 1 1 A 47 47 VAL HA H 46 3.914 4.395 -0.481 1 1 627 . 6 1 1 A 47 47 VAL C C 46 175.367 176.022 -0.655 1 1 628 . 6 1 1 A 47 47 VAL CA C 46 62.700 61.988 0.712 1 1 629 . 6 1 1 A 47 47 VAL CB C 46 32.927 31.755 1.172 1 1 632 . 6 1 1 A 47 47 VAL N N 46 118.440 121.671 -3.231 1 1 633 . 6 1 1 A 48 48 LEU H H 47 7.863 8.313 -0.450 1 1 634 . 6 1 1 A 48 48 LEU HA H 47 4.384 4.084 0.300 1 1 644 . 6 1 1 A 48 48 LEU C C 47 176.088 177.818 -1.730 1 1 645 . 6 1 1 A 48 48 LEU CA C 47 54.851 55.999 -1.148 1 1 646 . 6 1 1 A 48 48 LEU CB C 47 43.841 44.126 -0.285 1 1 650 . 6 1 1 A 48 48 LEU N N 47 129.127 129.581 -0.454 1 1 651 . 6 1 1 A 49 49 ASP H H 48 8.699 8.951 -0.252 1 1 652 . 6 1 1 A 49 49 ASP HA H 48 4.293 4.281 0.012 1 1 655 . 6 1 1 A 49 49 ASP C C 48 175.121 175.838 -0.717 1 1 656 . 6 1 1 A 49 49 ASP CA C 48 55.717 57.714 -1.997 1 1 657 . 6 1 1 A 49 49 ASP CB C 48 40.260 41.097 -0.837 1 1 658 . 6 1 1 A 49 49 ASP N N 48 121.389 125.469 -4.080 1 1 659 . 6 1 1 A 50 50 LYS H H 49 7.251 7.643 -0.392 1 1 660 . 6 1 1 A 50 50 LYS HA H 49 4.540 4.766 -0.226 1 1 669 . 6 1 1 A 50 50 LYS C C 49 174.664 175.815 -1.151 1 1 670 . 6 1 1 A 50 50 LYS CA C 49 53.211 54.198 -0.987 1 1 671 . 6 1 1 A 50 50 LYS CB C 49 35.514 35.551 -0.037 1 1 675 . 6 1 1 A 50 50 LYS N N 49 118.260 116.253 2.007 1 1 676 . 6 1 1 A 51 51 THR H H 50 8.162 7.985 0.177 1 1 677 . 6 1 1 A 51 51 THR HA H 50 4.685 4.463 0.222 1 1 682 . 6 1 1 A 51 51 THR C C 50 171.631 174.201 -2.570 1 1 683 . 6 1 1 A 51 51 THR CA C 50 63.581 62.749 0.832 1 1 684 . 6 1 1 A 51 51 THR CB C 50 71.587 70.576 1.011 1 1 686 . 6 1 1 A 51 51 THR N N 50 112.535 113.393 -0.858 1 1 687 . 6 1 1 A 52 52 LYS H H 51 6.971 7.328 -0.357 1 1 688 . 6 1 1 A 52 52 LYS HA H 51 4.443 4.520 -0.077 1 1 697 . 6 1 1 A 52 52 LYS C C 51 175.417 175.440 -0.023 1 1 698 . 6 1 1 A 52 52 LYS CA C 51 55.209 55.246 -0.037 1 1 699 . 6 1 1 A 52 52 LYS CB C 51 33.309 33.635 -0.326 1 1 703 . 6 1 1 A 52 52 LYS N N 51 120.227 118.169 2.058 1 1 704 . 6 1 1 A 53 53 PHE H H 52 9.688 8.955 0.733 1 1 705 . 6 1 1 A 53 53 PHE HA H 52 5.675 4.942 0.733 1 1 712 . 6 1 1 A 53 53 PHE C C 52 174.348 174.559 -0.211 1 1 713 . 6 1 1 A 53 53 PHE CA C 52 56.625 56.725 -0.100 1 1 714 . 6 1 1 A 53 53 PHE CB C 52 43.109 42.670 0.439 1 1 716 . 6 1 1 A 53 53 PHE N N 52 124.646 122.050 2.596 1 1 717 . 6 1 1 A 54 54 LEU H H 53 8.470 9.056 -0.586 1 1 718 . 6 1 1 A 54 54 LEU HA H 53 5.044 4.897 0.147 1 1 728 . 6 1 1 A 54 54 LEU C C 53 176.144 176.157 -0.013 1 1 729 . 6 1 1 A 54 54 LEU CA C 53 52.954 53.567 -0.613 1 1 730 . 6 1 1 A 54 54 LEU CB C 53 45.081 42.240 2.841 1 1 734 . 6 1 1 A 54 54 LEU N N 53 119.430 124.152 -4.722 1 1 735 . 6 1 1 A 55 55 VAL H H 54 8.802 8.566 0.236 1 1 736 . 6 1 1 A 55 55 VAL HA H 54 4.640 4.448 0.192 1 1 744 . 6 1 1 A 55 55 VAL CA C 54 58.549 59.930 -1.381 1 1 745 . 6 1 1 A 55 55 VAL CB C 54 35.342 31.784 3.558 1 1 748 . 6 1 1 A 55 55 VAL N N 54 123.841 125.945 -2.104 1 1 749 . 6 1 1 A 56 56 PRO HA H 55 4.439 4.677 -0.238 1 1 756 . 6 1 1 A 56 56 PRO C C 55 176.666 176.508 0.158 1 1 757 . 6 1 1 A 56 56 PRO CA C 55 64.256 62.103 2.153 1 1 758 . 6 1 1 A 56 56 PRO CB C 55 32.783 31.459 1.324 1 1 761 . 6 1 1 A 57 57 ASP H H 56 8.412 7.942 0.470 1 1 762 . 6 1 1 A 57 57 ASP HA H 56 3.848 4.477 -0.629 1 1 765 . 6 1 1 A 57 57 ASP C C 56 175.417 176.560 -1.143 1 1 766 . 6 1 1 A 57 57 ASP CA C 56 56.616 53.936 2.680 1 1 767 . 6 1 1 A 57 57 ASP CB C 56 40.410 39.746 0.664 1 1 768 . 6 1 1 A 57 57 ASP N N 56 120.415 123.416 -3.001 1 1 769 . 6 1 1 A 58 58 HIS H H 57 7.373 7.980 -0.607 1 1 770 . 6 1 1 A 58 58 HIS HA H 57 4.770 4.846 -0.076 1 1 775 . 6 1 1 A 58 58 HIS C C 57 176.594 174.141 2.453 1 1 776 . 6 1 1 A 58 58 HIS CA C 57 55.584 55.020 0.564 1 1 777 . 6 1 1 A 58 58 HIS CB C 57 30.628 30.992 -0.364 1 1 780 . 6 1 1 A 58 58 HIS N N 57 113.439 114.203 -0.764 1 1 781 . 6 1 1 A 59 59 VAL H H 58 7.249 7.587 -0.338 1 1 782 . 6 1 1 A 59 59 VAL HA H 58 3.903 4.815 -0.912 1 1 790 . 6 1 1 A 59 59 VAL C C 58 175.014 174.175 0.839 1 1 791 . 6 1 1 A 59 59 VAL CA C 58 62.726 59.111 3.615 1 1 792 . 6 1 1 A 59 59 VAL CB C 58 32.190 35.904 -3.714 1 1 795 . 6 1 1 A 59 59 VAL N N 58 122.597 115.738 6.859 1 1 796 . 6 1 1 A 60 60 ASN H H 59 8.677 8.645 0.032 1 1 797 . 6 1 1 A 60 60 ASN HA H 59 5.187 5.259 -0.072 1 1 802 . 6 1 1 A 60 60 ASN C C 59 176.477 176.493 -0.016 1 1 803 . 6 1 1 A 60 60 ASN CA C 59 51.181 51.870 -0.689 1 1 804 . 6 1 1 A 60 60 ASN CB C 59 39.947 41.406 -1.459 1 1 806 . 6 1 1 A 60 60 ASN N N 59 122.962 119.021 3.941 1 1 808 . 6 1 1 A 61 61 MET H H 60 8.038 8.477 -0.439 1 1 809 . 6 1 1 A 61 61 MET HA H 60 4.426 4.207 0.219 1 1 817 . 6 1 1 A 61 61 MET C C 60 177.996 178.527 -0.531 1 1 818 . 6 1 1 A 61 61 MET CA C 60 57.118 58.025 -0.907 1 1 819 . 6 1 1 A 61 61 MET CB C 60 29.998 32.186 -2.188 1 1 822 . 6 1 1 A 61 61 MET N N 60 116.814 122.308 -5.494 1 1 823 . 6 1 1 A 62 62 SER H H 61 8.401 8.193 0.208 1 1 824 . 6 1 1 A 62 62 SER HA H 61 4.132 4.118 0.014 1 1 827 . 6 1 1 A 62 62 SER C C 61 177.255 177.083 0.172 1 1 828 . 6 1 1 A 62 62 SER CA C 61 61.559 61.430 0.129 1 1 829 . 6 1 1 A 62 62 SER CB C 61 62.430 63.089 -0.659 1 1 830 . 6 1 1 A 62 62 SER N N 61 114.109 115.904 -1.795 1 1 831 . 6 1 1 A 63 63 GLU H H 62 8.014 7.850 0.164 1 1 832 . 6 1 1 A 63 63 GLU HA H 62 4.016 3.973 0.043 1 1 837 . 6 1 1 A 63 63 GLU C C 62 178.327 178.894 -0.567 1 1 838 . 6 1 1 A 63 63 GLU CA C 62 58.787 59.430 -0.643 1 1 839 . 6 1 1 A 63 63 GLU CB C 62 29.814 29.187 0.627 1 1 841 . 6 1 1 A 63 63 GLU N N 62 122.806 121.411 1.395 1 1 842 . 6 1 1 A 64 64 LEU H H 63 8.254 8.178 0.076 1 1 843 . 6 1 1 A 64 64 LEU HA H 63 3.932 3.951 -0.019 1 1 853 . 6 1 1 A 64 64 LEU C C 63 178.029 178.577 -0.548 1 1 854 . 6 1 1 A 64 64 LEU CA C 63 57.986 58.234 -0.248 1 1 855 . 6 1 1 A 64 64 LEU CB C 63 41.377 41.822 -0.445 1 1 859 . 6 1 1 A 64 64 LEU N N 63 120.526 121.865 -1.339 1 1 860 . 6 1 1 A 65 65 ILE H H 64 8.415 8.386 0.029 1 1 861 . 6 1 1 A 65 65 ILE HA H 64 3.377 3.642 -0.265 1 1 871 . 6 1 1 A 65 65 ILE C C 64 177.078 177.937 -0.859 1 1 872 . 6 1 1 A 65 65 ILE CA C 64 66.699 65.801 0.898 1 1 873 . 6 1 1 A 65 65 ILE CB C 64 38.128 38.112 0.016 1 1 877 . 6 1 1 A 65 65 ILE N N 64 118.349 120.038 -1.689 1 1 878 . 6 1 1 A 66 66 LYS H H 65 7.366 7.887 -0.521 1 1 879 . 6 1 1 A 66 66 LYS HA H 65 3.696 3.987 -0.291 1 1 888 . 6 1 1 A 66 66 LYS C C 65 179.260 179.253 0.007 1 1 889 . 6 1 1 A 66 66 LYS CA C 65 60.593 59.780 0.813 1 1 890 . 6 1 1 A 66 66 LYS CB C 65 32.421 32.166 0.255 1 1 894 . 6 1 1 A 66 66 LYS N N 65 118.334 118.980 -0.646 1 1 895 . 6 1 1 A 67 67 ILE H H 66 8.179 8.185 -0.006 1 1 896 . 6 1 1 A 67 67 ILE HA H 66 3.546 3.631 -0.085 1 1 906 . 6 1 1 A 67 67 ILE C C 66 178.784 178.577 0.207 1 1 907 . 6 1 1 A 67 67 ILE CA C 66 65.488 65.147 0.341 1 1 908 . 6 1 1 A 67 67 ILE CB C 66 38.593 37.424 1.169 1 1 912 . 6 1 1 A 67 67 ILE N N 66 119.791 120.363 -0.572 1 1 913 . 6 1 1 A 68 68 ILE H H 67 8.279 8.249 0.030 1 1 914 . 6 1 1 A 68 68 ILE HA H 67 3.391 3.306 0.085 1 1 924 . 6 1 1 A 68 68 ILE C C 67 177.403 177.621 -0.218 1 1 925 . 6 1 1 A 68 68 ILE CA C 67 63.144 64.694 -1.550 1 1 926 . 6 1 1 A 68 68 ILE CB C 67 35.269 37.450 -2.181 1 1 930 . 6 1 1 A 68 68 ILE N N 67 120.267 121.338 -1.071 1 1 931 . 6 1 1 A 69 69 ARG H H 68 8.454 8.071 0.383 1 1 932 . 6 1 1 A 69 69 ARG HA H 68 2.966 3.382 -0.416 1 1 939 . 6 1 1 A 69 69 ARG C C 68 178.385 177.735 0.650 1 1 940 . 6 1 1 A 69 69 ARG CA C 68 60.642 58.453 2.189 1 1 941 . 6 1 1 A 69 69 ARG CB C 68 30.442 29.708 0.734 1 1 944 . 6 1 1 A 69 69 ARG N N 68 118.881 119.945 -1.064 1 1 945 . 6 1 1 A 70 70 ARG H H 69 7.492 7.623 -0.131 1 1 946 . 6 1 1 A 70 70 ARG HA H 69 4.164 4.008 0.156 1 1 954 . 6 1 1 A 70 70 ARG C C 69 180.253 178.906 1.347 1 1 955 . 6 1 1 A 70 70 ARG CA C 69 58.510 59.504 -0.994 1 1 956 . 6 1 1 A 70 70 ARG CB C 69 29.587 30.090 -0.503 1 1 960 . 6 1 1 A 70 70 ARG N N 69 116.411 118.885 -2.474 1 1 962 . 6 1 1 A 71 71 ARG H H 70 8.086 8.021 0.065 1 1 963 . 6 1 1 A 71 71 ARG HA H 70 4.025 4.052 -0.027 1 1 970 . 6 1 1 A 71 71 ARG C C 70 178.558 177.601 0.957 1 1 971 . 6 1 1 A 71 71 ARG CA C 70 59.428 58.577 0.851 1 1 972 . 6 1 1 A 71 71 ARG CB C 70 30.235 30.186 0.049 1 1 975 . 6 1 1 A 71 71 ARG N N 70 122.779 119.390 3.389 1 1 976 . 6 1 1 A 72 72 LEU H H 71 7.755 7.469 0.286 1 1 977 . 6 1 1 A 72 72 LEU HA H 71 4.081 4.172 -0.091 1 1 987 . 6 1 1 A 72 72 LEU C C 71 174.852 176.223 -1.371 1 1 988 . 6 1 1 A 72 72 LEU CA C 71 55.060 54.867 0.193 1 1 989 . 6 1 1 A 72 72 LEU CB C 71 43.109 41.587 1.522 1 1 993 . 6 1 1 A 72 72 LEU N N 71 116.551 117.470 -0.919 1 1 994 . 6 1 1 A 73 73 GLN H H 72 7.740 8.295 -0.555 1 1 995 . 6 1 1 A 73 73 GLN HA H 72 3.853 3.951 -0.098 1 1 1002 . 6 1 1 A 73 73 GLN C C 72 175.619 174.881 0.738 1 1 1003 . 6 1 1 A 73 73 GLN CA C 72 56.273 56.563 -0.290 1 1 1004 . 6 1 1 A 73 73 GLN CB C 72 25.939 26.515 -0.576 1 1 1007 . 6 1 1 A 73 73 GLN N N 72 114.737 117.651 -2.914 1 1 1009 . 6 1 1 A 74 74 LEU H H 73 7.525 7.530 -0.005 1 1 1010 . 6 1 1 A 74 74 LEU HA H 73 4.242 4.396 -0.154 1 1 1020 . 6 1 1 A 74 74 LEU C C 73 178.611 175.514 3.097 1 1 1021 . 6 1 1 A 74 74 LEU CA C 73 54.382 54.408 -0.026 1 1 1022 . 6 1 1 A 74 74 LEU CB C 73 41.995 42.333 -0.338 1 1 1026 . 6 1 1 A 74 74 LEU N N 73 114.861 120.137 -5.276 1 1 1027 . 6 1 1 A 75 75 ASN H H 74 8.970 8.454 0.516 1 1 1028 . 6 1 1 A 75 75 ASN HA H 74 4.694 5.110 -0.416 1 1 1033 . 6 1 1 A 75 75 ASN C C 74 176.527 175.527 1.000 1 1 1034 . 6 1 1 A 75 75 ASN CA C 74 52.686 51.467 1.219 1 1 1035 . 6 1 1 A 75 75 ASN CB C 74 39.583 42.142 -2.559 1 1 1037 . 6 1 1 A 75 75 ASN N N 74 121.274 118.000 3.274 1 1 1039 . 6 1 1 A 76 76 ALA H H 75 8.697 8.715 -0.018 1 1 1040 . 6 1 1 A 76 76 ALA HA H 75 3.966 4.075 -0.109 1 1 1044 . 6 1 1 A 76 76 ALA C C 75 178.002 179.090 -1.088 1 1 1045 . 6 1 1 A 76 76 ALA CA C 75 54.797 54.786 0.011 1 1 1046 . 6 1 1 A 76 76 ALA CB C 75 18.669 18.349 0.320 1 1 1047 . 6 1 1 A 76 76 ALA N N 75 123.590 125.602 -2.012 1 1 1048 . 6 1 1 A 77 77 ASN H H 76 8.344 8.089 0.255 1 1 1049 . 6 1 1 A 77 77 ASN HA H 76 4.585 4.506 0.079 1 1 1054 . 6 1 1 A 77 77 ASN C C 76 175.371 175.671 -0.300 1 1 1055 . 6 1 1 A 77 77 ASN CA C 76 53.183 55.682 -2.499 1 1 1056 . 6 1 1 A 77 77 ASN CB C 76 38.277 38.657 -0.380 1 1 1058 . 6 1 1 A 77 77 ASN N N 76 112.004 116.270 -4.266 1 1 1060 . 6 1 1 A 78 78 GLN H H 77 7.532 7.381 0.151 1 1 1061 . 6 1 1 A 78 78 GLN HA H 77 4.281 4.652 -0.371 1 1 1068 . 6 1 1 A 78 78 GLN C C 77 175.001 174.919 0.082 1 1 1069 . 6 1 1 A 78 78 GLN CA C 77 55.875 55.085 0.790 1 1 1070 . 6 1 1 A 78 78 GLN CB C 77 30.227 29.952 0.275 1 1 1073 . 6 1 1 A 78 78 GLN N N 77 120.237 119.160 1.077 1 1 1075 . 6 1 1 A 79 79 ALA H H 78 8.732 8.612 0.120 1 1 1076 . 6 1 1 A 79 79 ALA HA H 78 4.183 4.605 -0.422 1 1 1080 . 6 1 1 A 79 79 ALA C C 78 176.367 176.815 -0.448 1 1 1081 . 6 1 1 A 79 79 ALA CA C 78 52.798 52.128 0.670 1 1 1082 . 6 1 1 A 79 79 ALA CB C 78 20.051 19.573 0.478 1 1 1083 . 6 1 1 A 79 79 ALA N N 78 130.399 129.254 1.145 1 1 1084 . 6 1 1 A 80 80 PHE H H 79 7.603 8.418 -0.815 1 1 1085 . 6 1 1 A 80 80 PHE HA H 79 4.449 5.186 -0.737 1 1 1093 . 6 1 1 A 80 80 PHE C C 79 171.709 173.053 -1.344 1 1 1094 . 6 1 1 A 80 80 PHE CA C 79 59.101 57.031 2.070 1 1 1095 . 6 1 1 A 80 80 PHE CB C 79 42.282 42.578 -0.296 1 1 1099 . 6 1 1 A 80 80 PHE N N 79 118.988 122.673 -3.685 1 1 1100 . 6 1 1 A 81 81 PHE H H 80 8.507 9.120 -0.613 1 1 1101 . 6 1 1 A 81 81 PHE HA H 80 4.421 4.453 -0.032 1 1 1109 . 6 1 1 A 81 81 PHE C C 80 172.644 173.933 -1.289 1 1 1110 . 6 1 1 A 81 81 PHE CA C 80 56.711 55.889 0.822 1 1 1111 . 6 1 1 A 81 81 PHE CB C 80 41.880 42.858 -0.978 1 1 1115 . 6 1 1 A 81 81 PHE N N 80 126.042 124.805 1.237 1 1 1116 . 6 1 1 A 82 82 LEU H H 81 8.199 8.764 -0.565 1 1 1117 . 6 1 1 A 82 82 LEU HA H 81 4.883 4.975 -0.092 1 1 1127 . 6 1 1 A 82 82 LEU C C 81 174.440 174.949 -0.509 1 1 1128 . 6 1 1 A 82 82 LEU CA C 81 53.153 54.033 -0.880 1 1 1129 . 6 1 1 A 82 82 LEU CB C 81 45.520 43.821 1.699 1 1 1133 . 6 1 1 A 82 82 LEU N N 81 121.512 125.861 -4.349 1 1 1134 . 6 1 1 A 83 83 LEU H H 82 9.349 9.849 -0.500 1 1 1135 . 6 1 1 A 83 83 LEU HA H 82 4.810 4.693 0.117 1 1 1145 . 6 1 1 A 83 83 LEU C C 82 177.075 175.938 1.137 1 1 1146 . 6 1 1 A 83 83 LEU CA C 82 54.122 53.969 0.153 1 1 1147 . 6 1 1 A 83 83 LEU CB C 82 43.394 41.300 2.094 1 1 1151 . 6 1 1 A 83 83 LEU N N 82 125.253 129.118 -3.865 1 1 1152 . 6 1 1 A 84 84 VAL H H 83 8.681 8.989 -0.308 1 1 1153 . 6 1 1 A 84 84 VAL HA H 83 4.411 3.896 0.515 1 1 1161 . 6 1 1 A 84 84 VAL C C 83 175.797 176.217 -0.420 1 1 1162 . 6 1 1 A 84 84 VAL CA C 83 61.630 62.640 -1.010 1 1 1163 . 6 1 1 A 84 84 VAL CB C 83 33.647 31.142 2.505 1 1 1166 . 6 1 1 A 84 84 VAL N N 83 123.543 125.920 -2.377 1 1 1167 . 6 1 1 A 85 85 ASN H H 84 9.622 9.134 0.488 1 1 1168 . 6 1 1 A 85 85 ASN HA H 84 4.399 4.501 -0.102 1 1 1173 . 6 1 1 A 85 85 ASN C C 84 175.042 174.975 0.067 1 1 1174 . 6 1 1 A 85 85 ASN CA C 84 54.610 54.254 0.356 1 1 1175 . 6 1 1 A 85 85 ASN CB C 84 37.927 36.978 0.949 1 1 1177 . 6 1 1 A 85 85 ASN N N 84 125.848 127.267 -1.419 1 1 1179 . 6 1 1 A 86 86 GLY H H 85 8.551 8.321 0.230 1 1 1180 . 6 1 1 A 86 86 GLY HA2 H 85 3.368 3.938 -0.570 1 1 1181 . 6 1 1 A 86 86 GLY HA3 H 85 4.064 3.961 0.103 1 1 1182 . 6 1 1 A 86 86 GLY C C 85 173.524 173.691 -0.167 1 1 1183 . 6 1 1 A 86 86 GLY CA C 85 45.588 45.410 0.178 1 1 1184 . 6 1 1 A 86 86 GLY N N 85 101.093 104.356 -3.263 1 1 1185 . 6 1 1 A 87 87 HIS H H 86 7.906 7.463 0.443 1 1 1186 . 6 1 1 A 87 87 HIS HA H 86 5.003 5.216 -0.213 1 1 1191 . 6 1 1 A 87 87 HIS C C 86 173.910 174.135 -0.225 1 1 1192 . 6 1 1 A 87 87 HIS CA C 86 54.213 53.750 0.463 1 1 1193 . 6 1 1 A 87 87 HIS CB C 86 31.482 32.937 -1.455 1 1 1196 . 6 1 1 A 87 87 HIS N N 86 117.253 115.061 2.192 1 1 1197 . 6 1 1 A 88 88 SER H H 87 8.846 8.981 -0.135 1 1 1198 . 6 1 1 A 88 88 SER HA H 87 4.702 4.450 0.252 1 1 1201 . 6 1 1 A 88 88 SER C C 87 175.739 174.954 0.785 1 1 1202 . 6 1 1 A 88 88 SER CA C 87 58.245 58.033 0.212 1 1 1203 . 6 1 1 A 88 88 SER CB C 87 63.764 64.817 -1.053 1 1 1204 . 6 1 1 A 88 88 SER N N 87 117.469 117.184 0.285 1 1 1205 . 6 1 1 A 89 89 MET H H 88 9.174 8.490 0.684 1 1 1206 . 6 1 1 A 89 89 MET HA H 88 4.820 4.964 -0.144 1 1 1214 . 6 1 1 A 89 89 MET C C 88 176.294 177.194 -0.900 1 1 1215 . 6 1 1 A 89 89 MET CA C 88 54.853 53.939 0.914 1 1 1216 . 6 1 1 A 89 89 MET CB C 88 33.183 32.359 0.824 1 1 1219 . 6 1 1 A 89 89 MET N N 88 125.111 119.212 5.899 1 1 1220 . 6 1 1 A 90 90 VAL H H 89 8.217 7.643 0.574 1 1 1221 . 6 1 1 A 90 90 VAL HA H 89 4.063 3.897 0.166 1 1 1229 . 6 1 1 A 90 90 VAL C C 89 176.249 176.699 -0.450 1 1 1230 . 6 1 1 A 90 90 VAL CA C 89 63.377 64.261 -0.884 1 1 1231 . 6 1 1 A 90 90 VAL CB C 89 32.473 31.656 0.817 1 1 1234 . 6 1 1 A 90 90 VAL N N 89 120.477 120.656 -0.179 1 1 1235 . 6 1 1 A 91 91 SER H H 90 8.356 7.687 0.669 1 1 1236 . 6 1 1 A 91 91 SER HA H 90 4.614 4.775 -0.161 1 1 1239 . 6 1 1 A 91 91 SER C C 90 175.841 174.033 1.808 1 1 1240 . 6 1 1 A 91 91 SER CA C 90 57.860 57.726 0.134 1 1 1241 . 6 1 1 A 91 91 SER CB C 90 63.398 63.428 -0.030 1 1 1242 . 6 1 1 A 91 91 SER N N 90 116.676 115.029 1.647 1 1 1243 . 6 1 1 A 92 92 VAL H H 91 8.158 7.803 0.355 1 1 1244 . 6 1 1 A 92 92 VAL HA H 91 4.245 3.972 0.273 1 1 1252 . 6 1 1 A 92 92 VAL C C 91 175.856 175.712 0.144 1 1 1253 . 6 1 1 A 92 92 VAL CA C 91 63.121 63.406 -0.285 1 1 1254 . 6 1 1 A 92 92 VAL CB C 91 31.872 31.490 0.382 1 1 1257 . 6 1 1 A 92 92 VAL N N 91 119.994 123.320 -3.326 1 1 1258 . 6 1 1 A 93 93 SER H H 92 8.368 8.790 -0.422 1 1 1259 . 6 1 1 A 93 93 SER HA H 92 4.581 4.779 -0.198 1 1 1262 . 6 1 1 A 93 93 SER C C 92 174.154 172.517 1.637 1 1 1263 . 6 1 1 A 93 93 SER CA C 92 57.706 58.094 -0.388 1 1 1264 . 6 1 1 A 93 93 SER CB C 92 63.126 64.702 -1.576 1 1 1265 . 6 1 1 A 93 93 SER N N 92 116.504 125.393 -8.889 1 1 1266 . 6 1 1 A 94 94 THR H H 93 7.427 7.594 -0.167 1 1 1267 . 6 1 1 A 94 94 THR HA H 93 4.464 4.647 -0.183 1 1 1272 . 6 1 1 A 94 94 THR CA C 93 61.032 59.193 1.839 1 1 1273 . 6 1 1 A 94 94 THR CB C 93 70.505 71.605 -1.100 1 1 1275 . 6 1 1 A 94 94 THR N N 93 119.172 116.824 2.348 1 1 1276 . 6 1 1 A 95 95 PRO HA H 94 4.426 4.689 -0.263 1 1 1283 . 6 1 1 A 95 95 PRO C C 94 178.692 177.991 0.701 1 1 1284 . 6 1 1 A 95 95 PRO CA C 94 62.921 62.735 0.186 1 1 1285 . 6 1 1 A 95 95 PRO CB C 94 32.774 32.290 0.484 1 1 1288 . 6 1 1 A 96 96 ILE H H 95 9.324 8.980 0.344 1 1 1289 . 6 1 1 A 96 96 ILE HA H 95 3.956 3.974 -0.018 1 1 1299 . 6 1 1 A 96 96 ILE C C 95 176.415 177.183 -0.768 1 1 1300 . 6 1 1 A 96 96 ILE CA C 95 63.880 63.713 0.167 1 1 1301 . 6 1 1 A 96 96 ILE CB C 95 38.055 37.938 0.117 1 1 1305 . 6 1 1 A 96 96 ILE N N 95 123.862 125.757 -1.895 1 1 1306 . 6 1 1 A 97 97 SER H H 96 8.211 8.333 -0.122 1 1 1307 . 6 1 1 A 97 97 SER HA H 96 3.978 4.140 -0.162 1 1 1310 . 6 1 1 A 97 97 SER C C 96 176.494 177.395 -0.901 1 1 1311 . 6 1 1 A 97 97 SER CA C 96 61.576 61.398 0.178 1 1 1312 . 6 1 1 A 97 97 SER CB C 96 61.262 62.264 -1.002 1 1 1313 . 6 1 1 A 97 97 SER N N 96 116.529 117.122 -0.593 1 1 1314 . 6 1 1 A 98 98 GLU H H 97 7.329 8.044 -0.715 1 1 1315 . 6 1 1 A 98 98 GLU HA H 97 4.290 4.218 0.072 1 1 1320 . 6 1 1 A 98 98 GLU C C 97 179.288 179.031 0.257 1 1 1321 . 6 1 1 A 98 98 GLU CA C 97 58.705 59.387 -0.682 1 1 1322 . 6 1 1 A 98 98 GLU CB C 97 29.791 30.221 -0.430 1 1 1324 . 6 1 1 A 98 98 GLU N N 97 122.955 122.590 0.365 1 1 1325 . 6 1 1 A 99 99 VAL H H 98 7.386 8.282 -0.896 1 1 1326 . 6 1 1 A 99 99 VAL HA H 98 3.815 3.801 0.014 1 1 1334 . 6 1 1 A 99 99 VAL C C 98 177.662 178.359 -0.697 1 1 1335 . 6 1 1 A 99 99 VAL CA C 98 65.774 65.913 -0.139 1 1 1336 . 6 1 1 A 99 99 VAL CB C 98 32.047 31.729 0.318 1 1 1339 . 6 1 1 A 99 99 VAL N N 98 120.888 120.644 0.244 1 1 1340 . 6 1 1 A 100 100 TYR H H 99 8.984 8.011 0.973 1 1 1341 . 6 1 1 A 100 100 TYR HA H 99 4.013 4.156 -0.143 1 1 1348 . 6 1 1 A 100 100 TYR C C 99 176.355 178.188 -1.833 1 1 1349 . 6 1 1 A 100 100 TYR CA C 99 62.118 61.664 0.454 1 1 1350 . 6 1 1 A 100 100 TYR CB C 99 38.921 38.918 0.003 1 1 1353 . 6 1 1 A 100 100 TYR N N 99 118.874 121.192 -2.318 1 1 1354 . 6 1 1 A 101 101 GLU H H 100 7.433 8.553 -1.120 1 1 1355 . 6 1 1 A 101 101 GLU HA H 100 3.833 3.950 -0.117 1 1 1360 . 6 1 1 A 101 101 GLU C C 100 177.674 176.798 0.876 1 1 1361 . 6 1 1 A 101 101 GLU CA C 100 58.895 57.739 1.156 1 1 1362 . 6 1 1 A 101 101 GLU CB C 100 29.577 28.789 0.788 1 1 1364 . 6 1 1 A 101 101 GLU N N 100 114.383 117.523 -3.140 1 1 1365 . 6 1 1 A 102 102 SER H H 101 7.423 8.222 -0.799 1 1 1366 . 6 1 1 A 102 102 SER HA H 101 4.552 4.680 -0.128 1 1 1369 . 6 1 1 A 102 102 SER C C 101 176.554 174.753 1.801 1 1 1370 . 6 1 1 A 102 102 SER CA C 101 60.200 58.533 1.667 1 1 1371 . 6 1 1 A 102 102 SER CB C 101 64.828 64.171 0.657 1 1 1372 . 6 1 1 A 102 102 SER N N 101 108.722 115.096 -6.374 1 1 1373 . 6 1 1 A 103 103 GLU H H 102 8.488 7.733 0.755 1 1 1374 . 6 1 1 A 103 103 GLU HA H 102 4.752 4.490 0.262 1 1 1379 . 6 1 1 A 103 103 GLU C C 102 176.653 176.388 0.265 1 1 1380 . 6 1 1 A 103 103 GLU CA C 102 55.464 57.335 -1.871 1 1 1381 . 6 1 1 A 103 103 GLU CB C 102 30.611 32.289 -1.678 1 1 1383 . 6 1 1 A 103 103 GLU N N 102 116.116 118.478 -2.362 1 1 1384 . 6 1 1 A 104 104 ARG H H 103 7.511 7.838 -0.327 1 1 1385 . 6 1 1 A 104 104 ARG HA H 103 4.241 4.291 -0.050 1 1 1392 . 6 1 1 A 104 104 ARG C C 103 174.634 175.384 -0.750 1 1 1393 . 6 1 1 A 104 104 ARG CA C 103 56.926 56.257 0.669 1 1 1394 . 6 1 1 A 104 104 ARG CB C 103 29.713 30.223 -0.510 1 1 1397 . 6 1 1 A 104 104 ARG N N 103 117.180 118.207 -1.027 1 1 1398 . 6 1 1 A 105 105 ASP H H 104 9.069 8.659 0.410 1 1 1399 . 6 1 1 A 105 105 ASP HA H 104 4.774 5.107 -0.333 1 1 1402 . 6 1 1 A 105 105 ASP C C 104 177.460 176.998 0.462 1 1 1403 . 6 1 1 A 105 105 ASP CA C 104 53.852 52.397 1.455 1 1 1404 . 6 1 1 A 105 105 ASP CB C 104 43.424 43.477 -0.053 1 1 1405 . 6 1 1 A 105 105 ASP N N 104 123.349 121.704 1.645 1 1 1406 . 6 1 1 A 106 106 GLU H H 105 8.982 8.950 0.032 1 1 1407 . 6 1 1 A 106 106 GLU HA H 105 4.199 4.061 0.138 1 1 1412 . 6 1 1 A 106 106 GLU C C 105 177.398 178.179 -0.781 1 1 1413 . 6 1 1 A 106 106 GLU CA C 105 59.413 59.332 0.081 1 1 1414 . 6 1 1 A 106 106 GLU CB C 105 29.983 29.443 0.540 1 1 1416 . 6 1 1 A 106 106 GLU N N 105 125.197 121.119 4.078 1 1 1417 . 6 1 1 A 107 107 ASP H H 106 9.873 8.131 1.742 1 1 1418 . 6 1 1 A 107 107 ASP HA H 106 4.211 4.188 0.023 1 1 1421 . 6 1 1 A 107 107 ASP C C 106 175.775 176.733 -0.958 1 1 1422 . 6 1 1 A 107 107 ASP CA C 106 54.698 54.875 -0.177 1 1 1423 . 6 1 1 A 107 107 ASP CB C 106 40.187 41.718 -1.531 1 1 1424 . 6 1 1 A 107 107 ASP N N 106 118.717 116.803 1.914 1 1 1425 . 6 1 1 A 108 108 GLY H H 107 7.971 8.223 -0.252 1 1 1426 . 6 1 1 A 108 108 GLY HA2 H 107 3.431 3.818 -0.387 1 1 1427 . 6 1 1 A 108 108 GLY HA3 H 107 4.526 3.866 0.660 1 1 1428 . 6 1 1 A 108 108 GLY C C 107 175.138 174.044 1.094 1 1 1429 . 6 1 1 A 108 108 GLY CA C 107 45.029 45.286 -0.257 1 1 1430 . 6 1 1 A 108 108 GLY N N 107 105.017 108.832 -3.815 1 1 1431 . 6 1 1 A 109 109 PHE H H 108 9.799 8.093 1.706 1 1 1432 . 6 1 1 A 109 109 PHE HA H 108 4.607 4.607 0.000 1 1 1440 . 6 1 1 A 109 109 PHE C C 108 175.171 175.157 0.014 1 1 1441 . 6 1 1 A 109 109 PHE CA C 108 60.222 57.256 2.966 1 1 1442 . 6 1 1 A 109 109 PHE CB C 108 40.433 40.550 -0.117 1 1 1446 . 6 1 1 A 109 109 PHE N N 108 123.309 120.029 3.280 1 1 1447 . 6 1 1 A 110 110 LEU H H 109 8.061 8.721 -0.660 1 1 1448 . 6 1 1 A 110 110 LEU HA H 109 5.022 4.368 0.654 1 1 1458 . 6 1 1 A 110 110 LEU C C 109 174.033 175.617 -1.584 1 1 1459 . 6 1 1 A 110 110 LEU CA C 109 53.539 54.905 -1.366 1 1 1460 . 6 1 1 A 110 110 LEU CB C 109 45.284 42.532 2.752 1 1 1464 . 6 1 1 A 110 110 LEU N N 109 119.999 125.146 -5.147 1 1 1465 . 6 1 1 A 111 111 TYR H H 110 9.363 9.182 0.181 1 1 1466 . 6 1 1 A 111 111 TYR HA H 110 4.906 5.329 -0.423 1 1 1473 . 6 1 1 A 111 111 TYR C C 110 176.538 174.991 1.547 1 1 1474 . 6 1 1 A 111 111 TYR CA C 110 59.335 56.392 2.943 1 1 1475 . 6 1 1 A 111 111 TYR CB C 110 39.485 41.403 -1.918 1 1 1478 . 6 1 1 A 111 111 TYR N N 110 126.322 121.841 4.481 1 1 1479 . 6 1 1 A 112 112 MET H H 111 9.496 8.378 1.118 1 1 1480 . 6 1 1 A 112 112 MET HA H 111 5.522 5.101 0.421 1 1 1488 . 6 1 1 A 112 112 MET C C 111 175.676 174.356 1.320 1 1 1489 . 6 1 1 A 112 112 MET CA C 111 54.216 54.587 -0.371 1 1 1490 . 6 1 1 A 112 112 MET CB C 111 36.821 37.173 -0.352 1 1 1493 . 6 1 1 A 112 112 MET N N 111 119.003 121.867 -2.864 1 1 1494 . 6 1 1 A 113 113 VAL H H 112 8.749 8.834 -0.085 1 1 1495 . 6 1 1 A 113 113 VAL HA H 112 5.967 5.300 0.667 1 1 1503 . 6 1 1 A 113 113 VAL C C 112 174.893 174.920 -0.027 1 1 1504 . 6 1 1 A 113 113 VAL CA C 112 58.896 61.212 -2.316 1 1 1505 . 6 1 1 A 113 113 VAL CB C 112 36.149 34.065 2.084 1 1 1508 . 6 1 1 A 113 113 VAL N N 112 119.658 121.564 -1.906 1 1 1509 . 6 1 1 A 114 114 TYR H H 113 8.210 8.523 -0.313 1 1 1510 . 6 1 1 A 114 114 TYR HA H 113 6.141 6.175 -0.034 1 1 1517 . 6 1 1 A 114 114 TYR C C 113 173.353 173.764 -0.411 1 1 1518 . 6 1 1 A 114 114 TYR CA C 113 54.161 55.059 -0.898 1 1 1519 . 6 1 1 A 114 114 TYR CB C 113 43.538 42.330 1.208 1 1 1522 . 6 1 1 A 114 114 TYR N N 113 118.947 122.527 -3.580 1 1 1523 . 6 1 1 A 115 115 ALA H H 114 8.483 8.727 -0.244 1 1 1524 . 6 1 1 A 115 115 ALA HA H 114 4.762 4.771 -0.009 1 1 1528 . 6 1 1 A 115 115 ALA C C 114 176.033 177.103 -1.070 1 1 1529 . 6 1 1 A 115 115 ALA CA C 114 51.223 51.234 -0.011 1 1 1530 . 6 1 1 A 115 115 ALA CB C 114 24.521 22.868 1.653 1 1 1531 . 6 1 1 A 115 115 ALA N N 114 119.557 121.753 -2.196 1 1 1532 . 6 1 1 A 116 116 SER H H 115 9.835 8.890 0.945 1 1 1533 . 6 1 1 A 116 116 SER HA H 115 4.497 5.124 -0.627 1 1 1536 . 6 1 1 A 116 116 SER C C 115 172.664 173.874 -1.210 1 1 1537 . 6 1 1 A 116 116 SER CA C 115 58.669 57.834 0.835 1 1 1538 . 6 1 1 A 116 116 SER CB C 115 63.570 63.668 -0.098 1 1 1539 . 6 1 1 A 116 116 SER N N 115 114.435 114.397 0.038 1 1 1540 . 6 1 1 A 117 117 GLN H H 116 7.180 7.561 -0.381 1 1 1541 . 6 1 1 A 117 117 GLN HA H 116 4.460 5.017 -0.557 1 1 1548 . 6 1 1 A 117 117 GLN C C 116 172.901 175.099 -2.198 1 1 1549 . 6 1 1 A 117 117 GLN CA C 116 53.974 55.465 -1.491 1 1 1550 . 6 1 1 A 117 117 GLN CB C 116 32.192 32.144 0.048 1 1 1553 . 6 1 1 A 117 117 GLN N N 116 116.449 121.099 -4.650 1 1 1555 . 6 1 1 A 118 118 GLU H H 117 7.878 8.710 -0.832 1 1 1556 . 6 1 1 A 118 118 GLU HA H 117 3.259 4.594 -1.335 1 1 1561 . 6 1 1 A 118 118 GLU C C 117 175.233 176.733 -1.500 1 1 1562 . 6 1 1 A 118 118 GLU CA C 117 56.890 56.233 0.657 1 1 1563 . 6 1 1 A 118 118 GLU CB C 117 30.325 30.224 0.101 1 1 1565 . 6 1 1 A 118 118 GLU N N 117 117.687 124.620 -6.933 1 1 1566 . 6 1 1 A 119 119 THR H H 118 6.968 7.470 -0.502 1 1 1567 . 6 1 1 A 119 119 THR HA H 118 4.082 4.404 -0.322 1 1 1572 . 6 1 1 A 119 119 THR C C 118 173.134 174.647 -1.513 1 1 1573 . 6 1 1 A 119 119 THR CA C 118 60.123 59.527 0.596 1 1 1574 . 6 1 1 A 119 119 THR CB C 118 70.147 68.526 1.621 1 1 1576 . 6 1 1 A 119 119 THR N N 118 109.548 109.006 0.542 1 1 1577 . 6 1 1 A 120 120 PHE H H 119 8.138 7.683 0.455 1 1 1578 . 6 1 1 A 120 120 PHE HA H 119 4.436 4.684 -0.248 1 1 1586 . 6 1 1 A 120 120 PHE C C 119 174.902 176.783 -1.881 1 1 1587 . 6 1 1 A 120 120 PHE CA C 119 56.750 57.407 -0.657 1 1 1588 . 6 1 1 A 120 120 PHE CB C 119 39.411 40.999 -1.588 1 1 1592 . 6 1 1 A 120 120 PHE N N 119 121.777 120.717 1.060 1 1 1607 . 6 2 2 B 2 2 SER H H 332 8.471 8.668 -0.197 1 1 1608 . 6 2 2 B 2 2 SER HA H 332 4.484 4.446 0.038 1 1 1611 . 6 2 2 B 2 2 SER C C 332 174.962 174.364 0.598 1 1 1612 . 6 2 2 B 2 2 SER CA C 332 88.436 59.807 28.629 1 1 1613 . 6 2 2 B 2 2 SER CB C 332 93.927 62.163 31.764 1 1 1614 . 6 2 2 B 2 2 SER N N 332 147.261 120.169 27.092 1 1 1615 . 6 2 2 B 3 3 GLY H H 333 8.601 8.148 0.453 1 1 1616 . 6 2 2 B 3 3 GLY HA2 H 333 4.022 4.169 -0.147 1 1 1617 . 6 2 2 B 3 3 GLY HA3 H 333 4.022 4.175 -0.153 1 1 1618 . 6 2 2 B 3 3 GLY C C 333 174.774 172.852 1.922 1 1 1619 . 6 2 2 B 3 3 GLY CA C 333 75.465 45.646 29.819 1 1 1620 . 6 2 2 B 3 3 GLY N N 333 141.077 112.922 28.155 1 1 1621 . 6 2 2 B 4 4 GLY H H 334 8.372 8.240 0.132 1 1 1622 . 6 2 2 B 4 4 GLY HA2 H 334 3.980 4.311 -0.331 1 1 1623 . 6 2 2 B 4 4 GLY HA3 H 334 3.980 4.318 -0.338 1 1 1624 . 6 2 2 B 4 4 GLY C C 334 174.758 172.947 1.811 1 1 1625 . 6 2 2 B 4 4 GLY CA C 334 75.674 44.488 31.186 1 1 1626 . 6 2 2 B 4 4 GLY N N 334 138.894 110.754 28.140 1 1 1627 . 6 2 2 B 5 5 ASP H H 335 8.429 8.873 -0.444 1 1 1628 . 6 2 2 B 5 5 ASP HA H 335 4.610 4.246 0.364 1 1 1631 . 6 2 2 B 5 5 ASP CA C 335 85.066 55.194 29.872 1 1 1632 . 6 2 2 B 5 5 ASP CB C 335 71.191 39.297 31.894 1 1 1633 . 6 2 2 B 5 5 ASP N N 335 149.637 118.433 31.204 1 1 1634 . 6 2 2 B 6 6 ASP H H 336 8.244 8.343 -0.099 1 1 1635 . 6 2 2 B 6 6 ASP HA H 336 4.559 4.496 0.063 1 1 1638 . 6 2 2 B 6 6 ASP C C 336 175.432 175.890 -0.458 1 1 1639 . 6 2 2 B 6 6 ASP CA C 336 84.708 56.425 28.283 1 1 1640 . 6 2 2 B 6 6 ASP CB C 336 71.552 40.233 31.319 1 1 1641 . 6 2 2 B 6 6 ASP N N 336 148.885 117.060 31.825 1 1 1642 . 6 2 2 B 7 7 ASP H H 337 7.803 7.828 -0.025 1 1 1643 . 6 2 2 B 7 7 ASP HA H 337 4.655 5.168 -0.513 1 1 1646 . 6 2 2 B 7 7 ASP C C 337 175.362 174.769 0.593 1 1 1647 . 6 2 2 B 7 7 ASP CA C 337 83.670 52.544 31.126 1 1 1648 . 6 2 2 B 7 7 ASP CB C 337 71.933 43.639 28.294 1 1 1649 . 6 2 2 B 7 7 ASP N N 337 149.563 115.615 33.948 1 1 1650 . 6 2 2 B 8 8 TRP H H 338 8.472 8.708 -0.236 1 1 1651 . 6 2 2 B 8 8 TRP HA H 338 4.174 4.895 -0.721 1 1 1660 . 6 2 2 B 8 8 TRP C C 338 175.959 176.212 -0.253 1 1 1661 . 6 2 2 B 8 8 TRP CA C 338 87.020 57.026 29.994 1 1 1662 . 6 2 2 B 8 8 TRP CB C 338 61.223 30.251 30.972 1 1 1668 . 6 2 2 B 8 8 TRP N N 338 150.172 122.858 27.314 1 1 1670 . 6 2 2 B 9 9 THR H H 339 7.994 8.780 -0.786 1 1 1671 . 6 2 2 B 9 9 THR HA H 339 4.533 4.463 0.070 1 1 1676 . 6 2 2 B 9 9 THR C C 339 174.035 174.117 -0.082 1 1 1677 . 6 2 2 B 9 9 THR CA C 339 92.659 61.612 31.047 1 1 1678 . 6 2 2 B 9 9 THR CB C 339 99.436 70.665 28.771 1 1 1680 . 6 2 2 B 9 9 THR N N 339 149.503 115.383 34.120 1 1 1681 . 6 2 2 B 10 10 HIS H H 340 9.463 8.184 1.279 1 1 1682 . 6 2 2 B 10 10 HIS HA H 340 4.677 5.418 -0.741 1 1 1687 . 6 2 2 B 10 10 HIS C C 340 175.606 174.073 1.533 1 1 1688 . 6 2 2 B 10 10 HIS CA C 340 87.024 53.956 33.068 1 1 1689 . 6 2 2 B 10 10 HIS CB C 340 61.368 31.851 29.517 1 1 1692 . 6 2 2 B 10 10 HIS N N 340 159.135 119.339 39.796 1 1 1693 . 6 2 2 B 11 11 LEU H H 341 8.398 9.214 -0.816 1 1 1694 . 6 2 2 B 11 11 LEU HA H 341 4.848 4.944 -0.096 1 1 1704 . 6 2 2 B 11 11 LEU C C 341 175.919 175.836 0.083 1 1 1705 . 6 2 2 B 11 11 LEU CA C 341 83.684 53.910 29.774 1 1 1706 . 6 2 2 B 11 11 LEU CB C 341 73.601 41.919 31.682 1 1 1710 . 6 2 2 B 11 11 LEU N N 341 153.300 126.626 26.674 1 1 1711 . 6 2 2 B 12 12 SER H H 342 8.382 9.120 -0.738 1 1 1712 . 6 2 2 B 12 12 SER HA H 342 4.652 5.173 -0.521 1 1 1715 . 6 2 2 B 12 12 SER C C 342 174.263 175.169 -0.906 1 1 1716 . 6 2 2 B 12 12 SER CA C 342 86.841 57.079 29.762 1 1 1717 . 6 2 2 B 12 12 SER CB C 342 95.113 65.504 29.609 1 1 1718 . 6 2 2 B 12 12 SER N N 342 144.018 123.140 20.878 1 1 1719 . 6 2 2 B 13 13 SER H H 343 8.937 8.843 0.094 1 1 1720 . 6 2 2 B 13 13 SER HA H 343 4.291 4.499 -0.208 1 1 1723 . 6 2 2 B 13 13 SER C C 343 174.652 174.884 -0.232 1 1 1724 . 6 2 2 B 13 13 SER CA C 343 89.546 59.639 29.907 1 1 1725 . 6 2 2 B 13 13 SER CB C 343 93.470 63.450 30.020 1 1 1726 . 6 2 2 B 13 13 SER N N 343 148.575 117.252 31.323 1 1 1727 . 6 2 2 B 14 14 LYS H H 344 8.250 8.140 0.110 1 1 1728 . 6 2 2 B 14 14 LYS HA H 344 4.319 4.395 -0.076 1 1 1737 . 6 2 2 B 14 14 LYS C C 344 176.699 177.427 -0.728 1 1 1738 . 6 2 2 B 14 14 LYS CA C 344 86.716 57.450 29.266 1 1 1739 . 6 2 2 B 14 14 LYS CB C 344 62.831 33.476 29.355 1 1 1743 . 6 2 2 B 14 14 LYS N N 344 151.908 120.676 31.232 1 1 1744 . 6 2 2 B 15 15 GLU H H 345 8.256 7.681 0.575 1 1 1745 . 6 2 2 B 15 15 GLU HA H 345 4.240 4.431 -0.191 1 1 1750 . 6 2 2 B 15 15 GLU C C 345 176.152 176.211 -0.059 1 1 1751 . 6 2 2 B 15 15 GLU CA C 345 87.152 56.254 30.898 1 1 1752 . 6 2 2 B 15 15 GLU CB C 345 60.176 30.432 29.744 1 1 1754 . 6 2 2 B 15 15 GLU N N 345 150.679 117.925 32.754 1 1 1755 . 6 2 2 B 16 16 VAL H H 346 7.762 7.346 0.416 1 1 1756 . 6 2 2 B 16 16 VAL HA H 346 4.161 4.140 0.021 1 1 1764 . 6 2 2 B 16 16 VAL C C 346 174.646 175.515 -0.869 1 1 1765 . 6 2 2 B 16 16 VAL CA C 346 91.707 60.846 30.861 1 1 1766 . 6 2 2 B 16 16 VAL CB C 346 63.107 33.777 29.330 1 1 1769 . 6 2 2 B 16 16 VAL N N 346 146.718 117.138 29.580 1 1 9 . 7 1 1 A 2 2 MET H H 1 8.414 7.917 0.497 1 1 10 . 7 1 1 A 2 2 MET HA H 1 4.826 4.949 -0.123 1 1 18 . 7 1 1 A 2 2 MET CA C 1 53.382 52.461 0.921 1 1 19 . 7 1 1 A 2 2 MET CB C 1 32.478 33.399 -0.921 1 1 22 . 7 1 1 A 2 2 MET N N 1 122.882 119.933 2.949 1 1 23 . 7 1 1 A 3 3 PRO HA H 2 4.425 4.755 -0.330 1 1 30 . 7 1 1 A 3 3 PRO C C 2 176.847 176.714 0.133 1 1 31 . 7 1 1 A 3 3 PRO CA C 2 63.386 62.222 1.164 1 1 32 . 7 1 1 A 3 3 PRO CB C 2 32.077 30.141 1.936 1 1 35 . 7 1 1 A 4 4 SER H H 3 8.347 8.025 0.322 1 1 36 . 7 1 1 A 4 4 SER HA H 3 4.391 4.205 0.186 1 1 39 . 7 1 1 A 4 4 SER C C 3 174.643 174.373 0.270 1 1 40 . 7 1 1 A 4 4 SER CA C 3 58.336 60.548 -2.212 1 1 41 . 7 1 1 A 4 4 SER CB C 3 63.798 62.870 0.928 1 1 42 . 7 1 1 A 4 4 SER N N 3 115.234 119.944 -4.710 1 1 43 . 7 1 1 A 5 5 GLU H H 4 8.472 8.460 0.012 1 1 44 . 7 1 1 A 5 5 GLU HA H 4 4.297 4.212 0.085 1 1 49 . 7 1 1 A 5 5 GLU C C 4 176.352 176.612 -0.260 1 1 50 . 7 1 1 A 5 5 GLU CA C 4 56.572 57.058 -0.486 1 1 51 . 7 1 1 A 5 5 GLU CB C 4 30.285 30.143 0.142 1 1 53 . 7 1 1 A 5 5 GLU N N 4 123.045 127.192 -4.147 1 1 54 . 7 1 1 A 6 6 LYS H H 5 8.214 8.489 -0.275 1 1 55 . 7 1 1 A 6 6 LYS HA H 5 4.500 4.323 0.177 1 1 64 . 7 1 1 A 6 6 LYS C C 5 177.243 176.813 0.430 1 1 65 . 7 1 1 A 6 6 LYS CA C 5 55.943 56.633 -0.690 1 1 66 . 7 1 1 A 6 6 LYS CB C 5 34.621 33.134 1.487 1 1 70 . 7 1 1 A 6 6 LYS N N 5 121.467 126.364 -4.897 1 1 71 . 7 1 1 A 7 7 THR H H 6 8.431 8.632 -0.201 1 1 72 . 7 1 1 A 7 7 THR HA H 6 4.383 4.781 -0.398 1 1 77 . 7 1 1 A 7 7 THR C C 6 175.360 176.363 -1.003 1 1 78 . 7 1 1 A 7 7 THR CA C 6 61.124 60.549 0.575 1 1 79 . 7 1 1 A 7 7 THR CB C 6 69.863 70.931 -1.068 1 1 81 . 7 1 1 A 7 7 THR N N 6 114.691 112.865 1.826 1 1 82 . 7 1 1 A 8 8 PHE H H 7 10.194 9.169 1.025 1 1 83 . 7 1 1 A 8 8 PHE HA H 7 3.904 4.247 -0.343 1 1 88 . 7 1 1 A 8 8 PHE C C 7 177.000 177.793 -0.793 1 1 89 . 7 1 1 A 8 8 PHE CA C 7 63.388 60.862 2.526 1 1 90 . 7 1 1 A 8 8 PHE CB C 7 39.586 38.927 0.659 1 1 92 . 7 1 1 A 8 8 PHE N N 7 124.861 123.320 1.541 1 1 93 . 7 1 1 A 9 9 LYS H H 8 8.707 8.252 0.455 1 1 94 . 7 1 1 A 9 9 LYS HA H 8 3.761 4.324 -0.563 1 1 103 . 7 1 1 A 9 9 LYS C C 8 177.496 179.007 -1.511 1 1 104 . 7 1 1 A 9 9 LYS CA C 8 59.945 59.236 0.709 1 1 105 . 7 1 1 A 9 9 LYS CB C 8 33.870 31.875 1.995 1 1 109 . 7 1 1 A 9 9 LYS N N 8 114.189 117.515 -3.326 1 1 110 . 7 1 1 A 10 10 GLN H H 9 7.284 8.188 -0.904 1 1 111 . 7 1 1 A 10 10 GLN HA H 9 4.113 4.140 -0.027 1 1 118 . 7 1 1 A 10 10 GLN C C 9 177.416 178.045 -0.629 1 1 119 . 7 1 1 A 10 10 GLN CA C 9 56.743 58.433 -1.690 1 1 120 . 7 1 1 A 10 10 GLN CB C 9 30.002 28.888 1.114 1 1 123 . 7 1 1 A 10 10 GLN N N 9 112.843 119.148 -6.305 1 1 125 . 7 1 1 A 11 11 ARG H H 10 7.889 8.444 -0.555 1 1 126 . 7 1 1 A 11 11 ARG HA H 10 4.255 3.967 0.288 1 1 133 . 7 1 1 A 11 11 ARG C C 10 175.059 176.736 -1.677 1 1 134 . 7 1 1 A 11 11 ARG CA C 10 57.018 59.608 -2.590 1 1 135 . 7 1 1 A 11 11 ARG CB C 10 31.628 30.294 1.334 1 1 138 . 7 1 1 A 11 11 ARG N N 10 117.567 121.035 -3.468 1 1 139 . 7 1 1 A 12 12 ARG H H 11 7.443 7.912 -0.469 1 1 140 . 7 1 1 A 12 12 ARG HA H 11 4.493 4.351 0.142 1 1 147 . 7 1 1 A 12 12 ARG CA C 11 54.172 57.091 -2.919 1 1 148 . 7 1 1 A 12 12 ARG CB C 11 32.857 30.760 2.097 1 1 151 . 7 1 1 A 12 12 ARG N N 11 122.786 120.258 2.528 1 1 152 . 7 1 1 A 13 13 SER HA H 12 4.403 4.490 -0.087 1 1 155 . 7 1 1 A 13 13 SER C C 12 174.222 175.398 -1.176 1 1 156 . 7 1 1 A 13 13 SER CA C 12 58.274 59.852 -1.578 1 1 157 . 7 1 1 A 13 13 SER CB C 12 64.821 63.413 1.408 1 1 158 . 7 1 1 A 14 14 PHE H H 13 9.239 9.289 -0.050 1 1 159 . 7 1 1 A 14 14 PHE HA H 13 4.035 4.148 -0.113 1 1 165 . 7 1 1 A 14 14 PHE C C 13 176.023 177.257 -1.234 1 1 166 . 7 1 1 A 14 14 PHE CA C 13 62.790 62.639 0.151 1 1 167 . 7 1 1 A 14 14 PHE CB C 13 39.580 39.903 -0.323 1 1 169 . 7 1 1 A 14 14 PHE N N 13 123.729 126.131 -2.402 1 1 170 . 7 1 1 A 15 15 GLU H H 14 9.093 8.575 0.518 1 1 171 . 7 1 1 A 15 15 GLU HA H 14 3.813 4.011 -0.198 1 1 176 . 7 1 1 A 15 15 GLU C C 14 179.549 178.227 1.322 1 1 177 . 7 1 1 A 15 15 GLU CA C 14 60.444 59.894 0.550 1 1 178 . 7 1 1 A 15 15 GLU CB C 14 28.804 29.125 -0.321 1 1 180 . 7 1 1 A 15 15 GLU N N 14 115.336 117.692 -2.356 1 1 181 . 7 1 1 A 16 16 GLN H H 15 7.752 8.384 -0.632 1 1 182 . 7 1 1 A 16 16 GLN HA H 15 4.044 4.292 -0.248 1 1 189 . 7 1 1 A 16 16 GLN C C 15 177.931 177.989 -0.058 1 1 190 . 7 1 1 A 16 16 GLN CA C 15 58.486 57.670 0.816 1 1 191 . 7 1 1 A 16 16 GLN CB C 15 29.393 29.760 -0.367 1 1 194 . 7 1 1 A 16 16 GLN N N 15 119.145 118.545 0.600 1 1 196 . 7 1 1 A 17 17 ARG H H 16 8.577 8.272 0.305 1 1 197 . 7 1 1 A 17 17 ARG HA H 16 4.280 4.296 -0.016 1 1 202 . 7 1 1 A 17 17 ARG C C 16 177.128 178.964 -1.836 1 1 203 . 7 1 1 A 17 17 ARG CA C 16 61.442 58.572 2.870 1 1 204 . 7 1 1 A 17 17 ARG N N 16 121.288 119.318 1.970 1 1 205 . 7 1 1 A 18 18 VAL H H 17 8.329 8.272 0.057 1 1 206 . 7 1 1 A 18 18 VAL HA H 17 3.938 3.536 0.402 1 1 214 . 7 1 1 A 18 18 VAL C C 17 179.744 177.802 1.942 1 1 215 . 7 1 1 A 18 18 VAL CA C 17 65.441 66.287 -0.846 1 1 216 . 7 1 1 A 18 18 VAL CB C 17 32.080 31.492 0.588 1 1 219 . 7 1 1 A 18 18 VAL N N 17 116.752 120.251 -3.499 1 1 220 . 7 1 1 A 19 19 GLU H H 18 7.445 7.822 -0.377 1 1 221 . 7 1 1 A 19 19 GLU HA H 18 4.270 3.910 0.360 1 1 226 . 7 1 1 A 19 19 GLU C C 18 177.625 178.139 -0.514 1 1 227 . 7 1 1 A 19 19 GLU CA C 18 58.637 59.582 -0.945 1 1 228 . 7 1 1 A 19 19 GLU CB C 18 29.398 28.861 0.537 1 1 230 . 7 1 1 A 19 19 GLU N N 18 120.323 120.218 0.105 1 1 231 . 7 1 1 A 20 20 ASP H H 19 8.690 8.444 0.246 1 1 232 . 7 1 1 A 20 20 ASP HA H 19 4.514 4.369 0.145 1 1 235 . 7 1 1 A 20 20 ASP C C 19 179.877 179.026 0.851 1 1 236 . 7 1 1 A 20 20 ASP CA C 19 57.224 57.379 -0.155 1 1 237 . 7 1 1 A 20 20 ASP CB C 19 41.487 41.692 -0.205 1 1 238 . 7 1 1 A 20 20 ASP N N 19 120.313 119.968 0.345 1 1 239 . 7 1 1 A 21 21 VAL H H 20 7.731 7.906 -0.175 1 1 240 . 7 1 1 A 21 21 VAL HA H 20 3.394 3.254 0.140 1 1 248 . 7 1 1 A 21 21 VAL C C 20 176.989 177.609 -0.620 1 1 249 . 7 1 1 A 21 21 VAL CA C 20 65.989 66.268 -0.279 1 1 250 . 7 1 1 A 21 21 VAL CB C 20 31.291 31.362 -0.071 1 1 253 . 7 1 1 A 21 21 VAL N N 20 119.119 119.384 -0.265 1 1 254 . 7 1 1 A 22 22 ARG H H 21 8.313 8.183 0.130 1 1 255 . 7 1 1 A 22 22 ARG HA H 21 3.825 3.953 -0.128 1 1 263 . 7 1 1 A 22 22 ARG C C 21 180.178 178.657 1.521 1 1 264 . 7 1 1 A 22 22 ARG CA C 21 59.821 59.382 0.439 1 1 265 . 7 1 1 A 22 22 ARG CB C 21 30.164 29.970 0.194 1 1 269 . 7 1 1 A 22 22 ARG N N 21 120.772 120.002 0.770 1 1 271 . 7 1 1 A 23 23 LEU H H 22 8.306 7.616 0.690 1 1 272 . 7 1 1 A 23 23 LEU HA H 22 4.076 3.943 0.133 1 1 282 . 7 1 1 A 23 23 LEU C C 22 180.221 178.876 1.345 1 1 283 . 7 1 1 A 23 23 LEU CA C 22 57.541 57.977 -0.436 1 1 284 . 7 1 1 A 23 23 LEU CB C 22 42.300 41.864 0.436 1 1 288 . 7 1 1 A 23 23 LEU N N 22 116.413 119.224 -2.811 1 1 289 . 7 1 1 A 24 24 ILE H H 23 7.864 8.202 -0.338 1 1 290 . 7 1 1 A 24 24 ILE HA H 23 4.090 3.839 0.251 1 1 300 . 7 1 1 A 24 24 ILE C C 23 177.922 178.312 -0.390 1 1 301 . 7 1 1 A 24 24 ILE CA C 23 60.190 64.746 -4.556 1 1 302 . 7 1 1 A 24 24 ILE CB C 23 38.072 37.569 0.503 1 1 306 . 7 1 1 A 24 24 ILE N N 23 121.259 118.047 3.212 1 1 307 . 7 1 1 A 25 25 ARG H H 24 8.339 8.526 -0.187 1 1 308 . 7 1 1 A 25 25 ARG HA H 24 3.973 4.022 -0.049 1 1 316 . 7 1 1 A 25 25 ARG C C 24 178.479 178.081 0.398 1 1 317 . 7 1 1 A 25 25 ARG CA C 24 57.337 59.388 -2.051 1 1 318 . 7 1 1 A 25 25 ARG CB C 24 28.663 30.115 -1.452 1 1 322 . 7 1 1 A 25 25 ARG N N 24 121.816 121.335 0.481 1 1 324 . 7 1 1 A 26 26 GLU H H 25 7.133 8.555 -1.422 1 1 325 . 7 1 1 A 26 26 GLU HA H 25 4.052 4.214 -0.162 1 1 330 . 7 1 1 A 26 26 GLU C C 25 178.158 176.659 1.499 1 1 331 . 7 1 1 A 26 26 GLU CA C 25 58.367 57.279 1.088 1 1 332 . 7 1 1 A 26 26 GLU CB C 25 29.903 30.112 -0.209 1 1 334 . 7 1 1 A 26 26 GLU N N 25 116.794 117.258 -0.464 1 1 335 . 7 1 1 A 27 27 GLN H H 26 7.283 8.117 -0.834 1 1 336 . 7 1 1 A 27 27 GLN HA H 26 3.888 4.364 -0.476 1 1 343 . 7 1 1 A 27 27 GLN C C 26 176.088 175.843 0.245 1 1 344 . 7 1 1 A 27 27 GLN CA C 26 57.676 57.103 0.573 1 1 345 . 7 1 1 A 27 27 GLN CB C 26 30.382 30.743 -0.361 1 1 348 . 7 1 1 A 27 27 GLN N N 26 116.373 117.748 -1.375 1 1 350 . 7 1 1 A 28 28 HIS H H 27 8.223 8.590 -0.367 1 1 351 . 7 1 1 A 28 28 HIS HA H 27 4.941 5.045 -0.104 1 1 356 . 7 1 1 A 28 28 HIS CA C 27 53.278 53.147 0.131 1 1 357 . 7 1 1 A 28 28 HIS CB C 27 30.933 29.835 1.098 1 1 360 . 7 1 1 A 28 28 HIS N N 27 115.408 116.301 -0.893 1 1 361 . 7 1 1 A 29 29 PRO HA H 28 4.562 4.319 0.243 1 1 368 . 7 1 1 A 29 29 PRO C C 28 178.046 177.545 0.501 1 1 369 . 7 1 1 A 29 29 PRO CA C 28 64.821 64.587 0.234 1 1 370 . 7 1 1 A 29 29 PRO CB C 28 32.447 32.011 0.436 1 1 373 . 7 1 1 A 30 30 THR H H 29 7.820 7.765 0.055 1 1 374 . 7 1 1 A 30 30 THR HA H 29 4.583 4.345 0.238 1 1 379 . 7 1 1 A 30 30 THR C C 29 172.723 173.339 -0.616 1 1 380 . 7 1 1 A 30 30 THR CA C 29 60.826 61.478 -0.652 1 1 381 . 7 1 1 A 30 30 THR CB C 29 68.641 68.928 -0.287 1 1 383 . 7 1 1 A 30 30 THR N N 29 106.682 107.819 -1.137 1 1 384 . 7 1 1 A 31 31 LYS H H 30 7.453 7.494 -0.041 1 1 385 . 7 1 1 A 31 31 LYS HA H 30 4.850 4.948 -0.098 1 1 394 . 7 1 1 A 31 31 LYS C C 30 174.296 174.700 -0.404 1 1 395 . 7 1 1 A 31 31 LYS CA C 30 53.944 54.673 -0.729 1 1 396 . 7 1 1 A 31 31 LYS CB C 30 36.098 36.581 -0.483 1 1 400 . 7 1 1 A 31 31 LYS N N 30 117.809 120.488 -2.679 1 1 401 . 7 1 1 A 32 32 ILE H H 31 9.265 9.355 -0.090 1 1 402 . 7 1 1 A 32 32 ILE HA H 31 4.106 4.242 -0.136 1 1 412 . 7 1 1 A 32 32 ILE CA C 31 54.606 57.568 -2.962 1 1 413 . 7 1 1 A 32 32 ILE CB C 31 38.448 38.466 -0.018 1 1 417 . 7 1 1 A 32 32 ILE N N 31 122.497 123.027 -0.530 1 1 418 . 7 1 1 A 33 33 PRO HA H 32 5.252 4.823 0.429 1 1 425 . 7 1 1 A 33 33 PRO C C 32 174.652 176.637 -1.985 1 1 426 . 7 1 1 A 33 33 PRO CA C 32 61.704 62.421 -0.717 1 1 427 . 7 1 1 A 33 33 PRO CB C 32 31.873 31.971 -0.098 1 1 430 . 7 1 1 A 34 34 VAL H H 33 9.359 8.542 0.817 1 1 431 . 7 1 1 A 34 34 VAL HA H 33 5.298 5.122 0.176 1 1 439 . 7 1 1 A 34 34 VAL C C 33 173.633 174.879 -1.246 1 1 440 . 7 1 1 A 34 34 VAL CA C 33 59.830 59.533 0.297 1 1 441 . 7 1 1 A 34 34 VAL CB C 33 36.154 36.257 -0.103 1 1 444 . 7 1 1 A 34 34 VAL N N 33 124.496 116.466 8.030 1 1 445 . 7 1 1 A 35 35 ILE H H 34 8.667 9.068 -0.401 1 1 446 . 7 1 1 A 35 35 ILE HA H 34 4.867 4.688 0.179 1 1 456 . 7 1 1 A 35 35 ILE C C 34 175.770 174.882 0.888 1 1 457 . 7 1 1 A 35 35 ILE CA C 34 56.320 60.551 -4.231 1 1 458 . 7 1 1 A 35 35 ILE CB C 34 36.909 39.787 -2.878 1 1 462 . 7 1 1 A 35 35 ILE N N 34 127.447 121.906 5.541 1 1 463 . 7 1 1 A 36 36 ILE H H 35 8.422 8.892 -0.470 1 1 464 . 7 1 1 A 36 36 ILE HA H 35 4.890 5.272 -0.382 1 1 474 . 7 1 1 A 36 36 ILE C C 35 175.098 175.585 -0.487 1 1 475 . 7 1 1 A 36 36 ILE CA C 35 60.806 60.401 0.405 1 1 476 . 7 1 1 A 36 36 ILE CB C 35 39.357 39.079 0.278 1 1 480 . 7 1 1 A 36 36 ILE N N 35 124.267 128.887 -4.620 1 1 481 . 7 1 1 A 37 37 GLU H H 36 8.335 8.829 -0.494 1 1 482 . 7 1 1 A 37 37 GLU HA H 36 4.820 4.777 0.043 1 1 487 . 7 1 1 A 37 37 GLU C C 36 173.502 175.667 -2.165 1 1 488 . 7 1 1 A 37 37 GLU CA C 36 54.214 53.946 0.268 1 1 489 . 7 1 1 A 37 37 GLU CB C 36 35.547 33.147 2.400 1 1 491 . 7 1 1 A 37 37 GLU N N 36 123.296 125.796 -2.500 1 1 492 . 7 1 1 A 38 38 ARG H H 37 8.891 8.160 0.731 1 1 493 . 7 1 1 A 38 38 ARG HA H 37 2.755 3.650 -0.895 1 1 501 . 7 1 1 A 38 38 ARG C C 37 176.165 175.342 0.823 1 1 502 . 7 1 1 A 38 38 ARG CA C 37 56.235 56.040 0.195 1 1 503 . 7 1 1 A 38 38 ARG CB C 37 31.328 30.354 0.974 1 1 507 . 7 1 1 A 38 38 ARG N N 37 123.143 121.857 1.286 1 1 509 . 7 1 1 A 39 39 TYR H H 38 8.681 7.863 0.818 1 1 510 . 7 1 1 A 39 39 TYR HA H 38 4.331 4.387 -0.056 1 1 517 . 7 1 1 A 39 39 TYR C C 38 177.064 175.211 1.853 1 1 518 . 7 1 1 A 39 39 TYR CA C 38 57.769 59.023 -1.254 1 1 519 . 7 1 1 A 39 39 TYR CB C 38 39.552 38.862 0.690 1 1 522 . 7 1 1 A 39 39 TYR N N 38 128.699 123.200 5.499 1 1 523 . 7 1 1 A 40 40 LYS H H 39 8.454 7.886 0.568 1 1 524 . 7 1 1 A 40 40 LYS HA H 39 3.841 3.907 -0.066 1 1 533 . 7 1 1 A 40 40 LYS C C 39 176.290 176.606 -0.316 1 1 534 . 7 1 1 A 40 40 LYS CA C 39 58.772 56.638 2.134 1 1 535 . 7 1 1 A 40 40 LYS CB C 39 31.738 31.409 0.329 1 1 539 . 7 1 1 A 40 40 LYS N N 39 130.022 123.546 6.476 1 1 540 . 7 1 1 A 41 41 GLY H H 40 5.457 8.974 -3.517 1 1 541 . 7 1 1 A 41 41 GLY HA2 H 40 3.306 3.989 -0.683 1 1 542 . 7 1 1 A 41 41 GLY HA3 H 40 3.999 4.069 -0.070 1 1 543 . 7 1 1 A 41 41 GLY C C 40 173.426 174.247 -0.821 1 1 544 . 7 1 1 A 41 41 GLY CA C 40 44.673 45.153 -0.480 1 1 545 . 7 1 1 A 41 41 GLY N N 40 104.628 113.358 -8.730 1 1 546 . 7 1 1 A 42 42 GLU H H 41 7.440 8.417 -0.977 1 1 547 . 7 1 1 A 42 42 GLU HA H 41 4.278 4.557 -0.279 1 1 552 . 7 1 1 A 42 42 GLU C C 41 176.306 176.541 -0.235 1 1 553 . 7 1 1 A 42 42 GLU CA C 41 56.358 55.709 0.649 1 1 554 . 7 1 1 A 42 42 GLU CB C 41 31.014 29.916 1.098 1 1 556 . 7 1 1 A 42 42 GLU N N 41 122.648 120.928 1.720 1 1 557 . 7 1 1 A 43 43 LYS H H 42 8.912 8.453 0.459 1 1 558 . 7 1 1 A 43 43 LYS HA H 42 4.680 4.611 0.069 1 1 567 . 7 1 1 A 43 43 LYS C C 42 177.063 178.277 -1.214 1 1 568 . 7 1 1 A 43 43 LYS CA C 42 55.652 56.512 -0.860 1 1 569 . 7 1 1 A 43 43 LYS CB C 42 34.871 34.010 0.861 1 1 573 . 7 1 1 A 43 43 LYS N N 42 123.569 123.093 0.476 1 1 574 . 7 1 1 A 44 44 GLN H H 43 8.446 8.087 0.359 1 1 575 . 7 1 1 A 44 44 GLN HA H 43 4.545 4.053 0.492 1 1 582 . 7 1 1 A 44 44 GLN C C 43 177.152 177.108 0.044 1 1 583 . 7 1 1 A 44 44 GLN CA C 43 57.561 58.705 -1.144 1 1 584 . 7 1 1 A 44 44 GLN CB C 43 30.671 28.693 1.978 1 1 587 . 7 1 1 A 44 44 GLN N N 43 118.990 118.581 0.409 1 1 589 . 7 1 1 A 45 45 LEU H H 44 9.043 8.063 0.980 1 1 590 . 7 1 1 A 45 45 LEU HA H 44 4.716 4.525 0.191 1 1 600 . 7 1 1 A 45 45 LEU CA C 44 53.078 53.894 -0.816 1 1 601 . 7 1 1 A 45 45 LEU CB C 44 43.614 41.383 2.231 1 1 605 . 7 1 1 A 45 45 LEU N N 44 120.375 120.250 0.125 1 1 606 . 7 1 1 A 46 46 PRO HA H 45 4.723 4.677 0.046 1 1 613 . 7 1 1 A 46 46 PRO C C 45 175.883 175.976 -0.093 1 1 614 . 7 1 1 A 46 46 PRO CA C 45 62.005 62.255 -0.250 1 1 615 . 7 1 1 A 46 46 PRO CB C 45 32.609 32.476 0.133 1 1 618 . 7 1 1 A 47 47 VAL H H 46 8.437 8.558 -0.121 1 1 619 . 7 1 1 A 47 47 VAL HA H 46 3.914 4.361 -0.447 1 1 627 . 7 1 1 A 47 47 VAL C C 46 175.367 175.872 -0.505 1 1 628 . 7 1 1 A 47 47 VAL CA C 46 62.700 61.733 0.967 1 1 629 . 7 1 1 A 47 47 VAL CB C 46 32.927 31.948 0.979 1 1 632 . 7 1 1 A 47 47 VAL N N 46 118.440 121.094 -2.654 1 1 633 . 7 1 1 A 48 48 LEU H H 47 7.863 8.758 -0.895 1 1 634 . 7 1 1 A 48 48 LEU HA H 47 4.384 4.218 0.166 1 1 644 . 7 1 1 A 48 48 LEU C C 47 176.088 177.847 -1.759 1 1 645 . 7 1 1 A 48 48 LEU CA C 47 54.851 55.885 -1.034 1 1 646 . 7 1 1 A 48 48 LEU CB C 47 43.841 44.056 -0.215 1 1 650 . 7 1 1 A 48 48 LEU N N 47 129.127 129.132 -0.005 1 1 651 . 7 1 1 A 49 49 ASP H H 48 8.699 8.776 -0.077 1 1 652 . 7 1 1 A 49 49 ASP HA H 48 4.293 4.485 -0.192 1 1 655 . 7 1 1 A 49 49 ASP C C 48 175.121 175.789 -0.668 1 1 656 . 7 1 1 A 49 49 ASP CA C 48 55.717 56.349 -0.632 1 1 657 . 7 1 1 A 49 49 ASP CB C 48 40.260 40.654 -0.394 1 1 658 . 7 1 1 A 49 49 ASP N N 48 121.389 123.498 -2.109 1 1 659 . 7 1 1 A 50 50 LYS H H 49 7.251 7.569 -0.318 1 1 660 . 7 1 1 A 50 50 LYS HA H 49 4.540 4.482 0.058 1 1 669 . 7 1 1 A 50 50 LYS C C 49 174.664 175.011 -0.347 1 1 670 . 7 1 1 A 50 50 LYS CA C 49 53.211 55.139 -1.928 1 1 671 . 7 1 1 A 50 50 LYS CB C 49 35.514 33.267 2.247 1 1 675 . 7 1 1 A 50 50 LYS N N 49 118.260 116.708 1.552 1 1 676 . 7 1 1 A 51 51 THR H H 50 8.162 8.072 0.090 1 1 677 . 7 1 1 A 51 51 THR HA H 50 4.685 4.537 0.148 1 1 682 . 7 1 1 A 51 51 THR C C 50 171.631 174.671 -3.040 1 1 683 . 7 1 1 A 51 51 THR CA C 50 63.581 63.285 0.296 1 1 684 . 7 1 1 A 51 51 THR CB C 50 71.587 70.316 1.271 1 1 686 . 7 1 1 A 51 51 THR N N 50 112.535 113.472 -0.937 1 1 687 . 7 1 1 A 52 52 LYS H H 51 6.971 7.491 -0.520 1 1 688 . 7 1 1 A 52 52 LYS HA H 51 4.443 4.293 0.150 1 1 697 . 7 1 1 A 52 52 LYS C C 51 175.417 176.393 -0.976 1 1 698 . 7 1 1 A 52 52 LYS CA C 51 55.209 56.273 -1.064 1 1 699 . 7 1 1 A 52 52 LYS CB C 51 33.309 33.375 -0.066 1 1 703 . 7 1 1 A 52 52 LYS N N 51 120.227 119.445 0.782 1 1 704 . 7 1 1 A 53 53 PHE H H 52 9.688 8.600 1.088 1 1 705 . 7 1 1 A 53 53 PHE HA H 52 5.675 4.991 0.684 1 1 712 . 7 1 1 A 53 53 PHE C C 52 174.348 174.640 -0.292 1 1 713 . 7 1 1 A 53 53 PHE CA C 52 56.625 56.765 -0.140 1 1 714 . 7 1 1 A 53 53 PHE CB C 52 43.109 42.618 0.491 1 1 716 . 7 1 1 A 53 53 PHE N N 52 124.646 121.846 2.800 1 1 717 . 7 1 1 A 54 54 LEU H H 53 8.470 9.051 -0.581 1 1 718 . 7 1 1 A 54 54 LEU HA H 53 5.044 4.965 0.079 1 1 728 . 7 1 1 A 54 54 LEU C C 53 176.144 175.836 0.308 1 1 729 . 7 1 1 A 54 54 LEU CA C 53 52.954 53.563 -0.609 1 1 730 . 7 1 1 A 54 54 LEU CB C 53 45.081 42.051 3.030 1 1 734 . 7 1 1 A 54 54 LEU N N 53 119.430 124.716 -5.286 1 1 735 . 7 1 1 A 55 55 VAL H H 54 8.802 8.457 0.345 1 1 736 . 7 1 1 A 55 55 VAL HA H 54 4.640 4.550 0.090 1 1 744 . 7 1 1 A 55 55 VAL CA C 54 58.549 58.909 -0.360 1 1 745 . 7 1 1 A 55 55 VAL CB C 54 35.342 32.275 3.067 1 1 748 . 7 1 1 A 55 55 VAL N N 54 123.841 125.673 -1.832 1 1 749 . 7 1 1 A 56 56 PRO HA H 55 4.439 4.685 -0.246 1 1 756 . 7 1 1 A 56 56 PRO C C 55 176.666 176.367 0.299 1 1 757 . 7 1 1 A 56 56 PRO CA C 55 64.256 62.603 1.653 1 1 758 . 7 1 1 A 56 56 PRO CB C 55 32.783 32.374 0.409 1 1 761 . 7 1 1 A 57 57 ASP H H 56 8.412 7.867 0.545 1 1 762 . 7 1 1 A 57 57 ASP HA H 56 3.848 4.642 -0.794 1 1 765 . 7 1 1 A 57 57 ASP C C 56 175.417 176.739 -1.322 1 1 766 . 7 1 1 A 57 57 ASP CA C 56 56.616 53.766 2.850 1 1 767 . 7 1 1 A 57 57 ASP CB C 56 40.410 40.373 0.037 1 1 768 . 7 1 1 A 57 57 ASP N N 56 120.415 121.794 -1.379 1 1 769 . 7 1 1 A 58 58 HIS H H 57 7.373 8.187 -0.814 1 1 770 . 7 1 1 A 58 58 HIS HA H 57 4.770 4.863 -0.093 1 1 775 . 7 1 1 A 58 58 HIS C C 57 176.594 174.100 2.494 1 1 776 . 7 1 1 A 58 58 HIS CA C 57 55.584 55.128 0.456 1 1 777 . 7 1 1 A 58 58 HIS CB C 57 30.628 31.485 -0.857 1 1 780 . 7 1 1 A 58 58 HIS N N 57 113.439 114.591 -1.152 1 1 781 . 7 1 1 A 59 59 VAL H H 58 7.249 7.654 -0.405 1 1 782 . 7 1 1 A 59 59 VAL HA H 58 3.903 4.769 -0.866 1 1 790 . 7 1 1 A 59 59 VAL C C 58 175.014 174.188 0.826 1 1 791 . 7 1 1 A 59 59 VAL CA C 58 62.726 58.974 3.752 1 1 792 . 7 1 1 A 59 59 VAL CB C 58 32.190 36.269 -4.079 1 1 795 . 7 1 1 A 59 59 VAL N N 58 122.597 115.573 7.024 1 1 796 . 7 1 1 A 60 60 ASN H H 59 8.677 8.399 0.278 1 1 797 . 7 1 1 A 60 60 ASN HA H 59 5.187 5.066 0.121 1 1 802 . 7 1 1 A 60 60 ASN C C 59 176.477 177.056 -0.579 1 1 803 . 7 1 1 A 60 60 ASN CA C 59 51.181 51.000 0.181 1 1 804 . 7 1 1 A 60 60 ASN CB C 59 39.947 40.585 -0.638 1 1 806 . 7 1 1 A 60 60 ASN N N 59 122.962 117.825 5.137 1 1 808 . 7 1 1 A 61 61 MET H H 60 8.038 8.567 -0.529 1 1 809 . 7 1 1 A 61 61 MET HA H 60 4.426 4.229 0.197 1 1 817 . 7 1 1 A 61 61 MET C C 60 177.996 178.349 -0.353 1 1 818 . 7 1 1 A 61 61 MET CA C 60 57.118 58.330 -1.212 1 1 819 . 7 1 1 A 61 61 MET CB C 60 29.998 32.003 -2.005 1 1 822 . 7 1 1 A 61 61 MET N N 60 116.814 118.343 -1.529 1 1 823 . 7 1 1 A 62 62 SER H H 61 8.401 8.257 0.144 1 1 824 . 7 1 1 A 62 62 SER HA H 61 4.132 4.104 0.028 1 1 827 . 7 1 1 A 62 62 SER C C 61 177.255 177.440 -0.185 1 1 828 . 7 1 1 A 62 62 SER CA C 61 61.559 61.486 0.073 1 1 829 . 7 1 1 A 62 62 SER CB C 61 62.430 63.115 -0.685 1 1 830 . 7 1 1 A 62 62 SER N N 61 114.109 115.285 -1.176 1 1 831 . 7 1 1 A 63 63 GLU H H 62 8.014 8.213 -0.199 1 1 832 . 7 1 1 A 63 63 GLU HA H 62 4.016 3.944 0.072 1 1 837 . 7 1 1 A 63 63 GLU C C 62 178.327 178.630 -0.303 1 1 838 . 7 1 1 A 63 63 GLU CA C 62 58.787 59.337 -0.550 1 1 839 . 7 1 1 A 63 63 GLU CB C 62 29.814 29.308 0.506 1 1 841 . 7 1 1 A 63 63 GLU N N 62 122.806 121.336 1.470 1 1 842 . 7 1 1 A 64 64 LEU H H 63 8.254 8.192 0.062 1 1 843 . 7 1 1 A 64 64 LEU HA H 63 3.932 3.908 0.024 1 1 853 . 7 1 1 A 64 64 LEU C C 63 178.029 178.439 -0.410 1 1 854 . 7 1 1 A 64 64 LEU CA C 63 57.986 58.629 -0.643 1 1 855 . 7 1 1 A 64 64 LEU CB C 63 41.377 41.964 -0.587 1 1 859 . 7 1 1 A 64 64 LEU N N 63 120.526 121.833 -1.307 1 1 860 . 7 1 1 A 65 65 ILE H H 64 8.415 8.070 0.345 1 1 861 . 7 1 1 A 65 65 ILE HA H 64 3.377 3.454 -0.077 1 1 871 . 7 1 1 A 65 65 ILE C C 64 177.078 177.726 -0.648 1 1 872 . 7 1 1 A 65 65 ILE CA C 64 66.699 65.511 1.188 1 1 873 . 7 1 1 A 65 65 ILE CB C 64 38.128 38.133 -0.005 1 1 877 . 7 1 1 A 65 65 ILE N N 64 118.349 119.913 -1.564 1 1 878 . 7 1 1 A 66 66 LYS H H 65 7.366 8.168 -0.802 1 1 879 . 7 1 1 A 66 66 LYS HA H 65 3.696 3.916 -0.220 1 1 888 . 7 1 1 A 66 66 LYS C C 65 179.260 178.712 0.548 1 1 889 . 7 1 1 A 66 66 LYS CA C 65 60.593 58.830 1.763 1 1 890 . 7 1 1 A 66 66 LYS CB C 65 32.421 32.281 0.140 1 1 894 . 7 1 1 A 66 66 LYS N N 65 118.334 118.533 -0.199 1 1 895 . 7 1 1 A 67 67 ILE H H 66 8.179 7.477 0.702 1 1 896 . 7 1 1 A 67 67 ILE HA H 66 3.546 3.757 -0.211 1 1 906 . 7 1 1 A 67 67 ILE C C 66 178.784 177.663 1.121 1 1 907 . 7 1 1 A 67 67 ILE CA C 66 65.488 64.361 1.127 1 1 908 . 7 1 1 A 67 67 ILE CB C 66 38.593 37.983 0.610 1 1 912 . 7 1 1 A 67 67 ILE N N 66 119.791 119.783 0.008 1 1 913 . 7 1 1 A 68 68 ILE H H 67 8.279 8.240 0.039 1 1 914 . 7 1 1 A 68 68 ILE HA H 67 3.391 3.273 0.118 1 1 924 . 7 1 1 A 68 68 ILE C C 67 177.403 177.634 -0.231 1 1 925 . 7 1 1 A 68 68 ILE CA C 67 63.144 64.911 -1.767 1 1 926 . 7 1 1 A 68 68 ILE CB C 67 35.269 37.387 -2.118 1 1 930 . 7 1 1 A 68 68 ILE N N 67 120.267 120.314 -0.047 1 1 931 . 7 1 1 A 69 69 ARG H H 68 8.454 7.529 0.925 1 1 932 . 7 1 1 A 69 69 ARG HA H 68 2.966 3.591 -0.625 1 1 939 . 7 1 1 A 69 69 ARG C C 68 178.385 178.086 0.299 1 1 940 . 7 1 1 A 69 69 ARG CA C 68 60.642 58.509 2.133 1 1 941 . 7 1 1 A 69 69 ARG CB C 68 30.442 29.721 0.721 1 1 944 . 7 1 1 A 69 69 ARG N N 68 118.881 120.188 -1.307 1 1 945 . 7 1 1 A 70 70 ARG H H 69 7.492 8.129 -0.637 1 1 946 . 7 1 1 A 70 70 ARG HA H 69 4.164 3.914 0.250 1 1 954 . 7 1 1 A 70 70 ARG C C 69 180.253 178.763 1.490 1 1 955 . 7 1 1 A 70 70 ARG CA C 69 58.510 59.466 -0.956 1 1 956 . 7 1 1 A 70 70 ARG CB C 69 29.587 29.885 -0.298 1 1 960 . 7 1 1 A 70 70 ARG N N 69 116.411 119.454 -3.043 1 1 962 . 7 1 1 A 71 71 ARG H H 70 8.086 8.032 0.054 1 1 963 . 7 1 1 A 71 71 ARG HA H 70 4.025 4.036 -0.011 1 1 970 . 7 1 1 A 71 71 ARG C C 70 178.558 178.559 -0.001 1 1 971 . 7 1 1 A 71 71 ARG CA C 70 59.428 59.164 0.264 1 1 972 . 7 1 1 A 71 71 ARG CB C 70 30.235 30.361 -0.126 1 1 975 . 7 1 1 A 71 71 ARG N N 70 122.779 118.978 3.801 1 1 976 . 7 1 1 A 72 72 LEU H H 71 7.755 7.624 0.131 1 1 977 . 7 1 1 A 72 72 LEU HA H 71 4.081 4.176 -0.095 1 1 987 . 7 1 1 A 72 72 LEU C C 71 174.852 176.434 -1.582 1 1 988 . 7 1 1 A 72 72 LEU CA C 71 55.060 55.282 -0.222 1 1 989 . 7 1 1 A 72 72 LEU CB C 71 43.109 41.885 1.224 1 1 993 . 7 1 1 A 72 72 LEU N N 71 116.551 118.645 -2.094 1 1 994 . 7 1 1 A 73 73 GLN H H 72 7.740 7.782 -0.042 1 1 995 . 7 1 1 A 73 73 GLN HA H 72 3.853 3.948 -0.095 1 1 1002 . 7 1 1 A 73 73 GLN C C 72 175.619 175.051 0.568 1 1 1003 . 7 1 1 A 73 73 GLN CA C 72 56.273 56.550 -0.277 1 1 1004 . 7 1 1 A 73 73 GLN CB C 72 25.939 26.325 -0.386 1 1 1007 . 7 1 1 A 73 73 GLN N N 72 114.737 117.855 -3.118 1 1 1009 . 7 1 1 A 74 74 LEU H H 73 7.525 7.498 0.027 1 1 1010 . 7 1 1 A 74 74 LEU HA H 73 4.242 4.339 -0.097 1 1 1020 . 7 1 1 A 74 74 LEU C C 73 178.611 177.372 1.239 1 1 1021 . 7 1 1 A 74 74 LEU CA C 73 54.382 54.762 -0.380 1 1 1022 . 7 1 1 A 74 74 LEU CB C 73 41.995 42.444 -0.449 1 1 1026 . 7 1 1 A 74 74 LEU N N 73 114.861 120.626 -5.765 1 1 1027 . 7 1 1 A 75 75 ASN H H 74 8.970 8.801 0.169 1 1 1028 . 7 1 1 A 75 75 ASN HA H 74 4.694 4.844 -0.150 1 1 1033 . 7 1 1 A 75 75 ASN C C 74 176.527 176.544 -0.017 1 1 1034 . 7 1 1 A 75 75 ASN CA C 74 52.686 53.139 -0.453 1 1 1035 . 7 1 1 A 75 75 ASN CB C 74 39.583 39.515 0.068 1 1 1037 . 7 1 1 A 75 75 ASN N N 74 121.274 119.184 2.090 1 1 1039 . 7 1 1 A 76 76 ALA H H 75 8.697 8.604 0.093 1 1 1040 . 7 1 1 A 76 76 ALA HA H 75 3.966 4.232 -0.266 1 1 1044 . 7 1 1 A 76 76 ALA C C 75 178.002 177.957 0.045 1 1 1045 . 7 1 1 A 76 76 ALA CA C 75 54.797 53.487 1.310 1 1 1046 . 7 1 1 A 76 76 ALA CB C 75 18.669 18.778 -0.109 1 1 1047 . 7 1 1 A 76 76 ALA N N 75 123.590 123.293 0.297 1 1 1048 . 7 1 1 A 77 77 ASN H H 76 8.344 7.932 0.412 1 1 1049 . 7 1 1 A 77 77 ASN HA H 76 4.585 4.773 -0.188 1 1 1054 . 7 1 1 A 77 77 ASN C C 76 175.371 175.530 -0.159 1 1 1055 . 7 1 1 A 77 77 ASN CA C 76 53.183 54.131 -0.948 1 1 1056 . 7 1 1 A 77 77 ASN CB C 76 38.277 40.176 -1.899 1 1 1058 . 7 1 1 A 77 77 ASN N N 76 112.004 115.911 -3.907 1 1 1060 . 7 1 1 A 78 78 GLN H H 77 7.532 7.928 -0.396 1 1 1061 . 7 1 1 A 78 78 GLN HA H 77 4.281 4.153 0.128 1 1 1068 . 7 1 1 A 78 78 GLN C C 77 175.001 175.107 -0.106 1 1 1069 . 7 1 1 A 78 78 GLN CA C 77 55.875 57.036 -1.161 1 1 1070 . 7 1 1 A 78 78 GLN CB C 77 30.227 29.478 0.749 1 1 1073 . 7 1 1 A 78 78 GLN N N 77 120.237 119.496 0.741 1 1 1075 . 7 1 1 A 79 79 ALA H H 78 8.732 8.319 0.413 1 1 1076 . 7 1 1 A 79 79 ALA HA H 78 4.183 5.438 -1.255 1 1 1080 . 7 1 1 A 79 79 ALA C C 78 176.367 175.848 0.519 1 1 1081 . 7 1 1 A 79 79 ALA CA C 78 52.798 50.198 2.600 1 1 1082 . 7 1 1 A 79 79 ALA CB C 78 20.051 22.388 -2.337 1 1 1083 . 7 1 1 A 79 79 ALA N N 78 130.399 123.045 7.354 1 1 1084 . 7 1 1 A 80 80 PHE H H 79 7.603 8.461 -0.858 1 1 1085 . 7 1 1 A 80 80 PHE HA H 79 4.449 5.262 -0.813 1 1 1093 . 7 1 1 A 80 80 PHE C C 79 171.709 172.740 -1.031 1 1 1094 . 7 1 1 A 80 80 PHE CA C 79 59.101 57.319 1.782 1 1 1095 . 7 1 1 A 80 80 PHE CB C 79 42.282 42.780 -0.498 1 1 1099 . 7 1 1 A 80 80 PHE N N 79 118.988 122.657 -3.669 1 1 1100 . 7 1 1 A 81 81 PHE H H 80 8.507 8.870 -0.363 1 1 1101 . 7 1 1 A 81 81 PHE HA H 80 4.421 4.948 -0.527 1 1 1109 . 7 1 1 A 81 81 PHE C C 80 172.644 173.728 -1.084 1 1 1110 . 7 1 1 A 81 81 PHE CA C 80 56.711 56.101 0.610 1 1 1111 . 7 1 1 A 81 81 PHE CB C 80 41.880 42.471 -0.591 1 1 1115 . 7 1 1 A 81 81 PHE N N 80 126.042 124.865 1.177 1 1 1116 . 7 1 1 A 82 82 LEU H H 81 8.199 8.948 -0.749 1 1 1117 . 7 1 1 A 82 82 LEU HA H 81 4.883 4.748 0.135 1 1 1127 . 7 1 1 A 82 82 LEU C C 81 174.440 174.852 -0.412 1 1 1128 . 7 1 1 A 82 82 LEU CA C 81 53.153 54.153 -1.000 1 1 1129 . 7 1 1 A 82 82 LEU CB C 81 45.520 42.781 2.739 1 1 1133 . 7 1 1 A 82 82 LEU N N 81 121.512 125.866 -4.354 1 1 1134 . 7 1 1 A 83 83 LEU H H 82 9.349 9.677 -0.328 1 1 1135 . 7 1 1 A 83 83 LEU HA H 82 4.810 4.890 -0.080 1 1 1145 . 7 1 1 A 83 83 LEU C C 82 177.075 175.629 1.446 1 1 1146 . 7 1 1 A 83 83 LEU CA C 82 54.122 53.611 0.511 1 1 1147 . 7 1 1 A 83 83 LEU CB C 82 43.394 42.215 1.179 1 1 1151 . 7 1 1 A 83 83 LEU N N 82 125.253 129.440 -4.187 1 1 1152 . 7 1 1 A 84 84 VAL H H 83 8.681 9.109 -0.428 1 1 1153 . 7 1 1 A 84 84 VAL HA H 83 4.411 4.241 0.170 1 1 1161 . 7 1 1 A 84 84 VAL C C 83 175.797 176.155 -0.358 1 1 1162 . 7 1 1 A 84 84 VAL CA C 83 61.630 61.412 0.218 1 1 1163 . 7 1 1 A 84 84 VAL CB C 83 33.647 31.096 2.551 1 1 1166 . 7 1 1 A 84 84 VAL N N 83 123.543 125.474 -1.931 1 1 1167 . 7 1 1 A 85 85 ASN H H 84 9.622 9.386 0.236 1 1 1168 . 7 1 1 A 85 85 ASN HA H 84 4.399 4.637 -0.238 1 1 1173 . 7 1 1 A 85 85 ASN C C 84 175.042 175.143 -0.101 1 1 1174 . 7 1 1 A 85 85 ASN CA C 84 54.610 54.291 0.319 1 1 1175 . 7 1 1 A 85 85 ASN CB C 84 37.927 36.940 0.987 1 1 1177 . 7 1 1 A 85 85 ASN N N 84 125.848 127.155 -1.307 1 1 1179 . 7 1 1 A 86 86 GLY H H 85 8.551 8.381 0.170 1 1 1180 . 7 1 1 A 86 86 GLY HA2 H 85 3.368 3.896 -0.528 1 1 1181 . 7 1 1 A 86 86 GLY HA3 H 85 4.064 3.908 0.156 1 1 1182 . 7 1 1 A 86 86 GLY C C 85 173.524 173.736 -0.212 1 1 1183 . 7 1 1 A 86 86 GLY CA C 85 45.588 45.405 0.183 1 1 1184 . 7 1 1 A 86 86 GLY N N 85 101.093 104.343 -3.250 1 1 1185 . 7 1 1 A 87 87 HIS H H 86 7.906 7.333 0.573 1 1 1186 . 7 1 1 A 87 87 HIS HA H 86 5.003 5.237 -0.234 1 1 1191 . 7 1 1 A 87 87 HIS C C 86 173.910 174.355 -0.445 1 1 1192 . 7 1 1 A 87 87 HIS CA C 86 54.213 53.740 0.473 1 1 1193 . 7 1 1 A 87 87 HIS CB C 86 31.482 32.890 -1.408 1 1 1196 . 7 1 1 A 87 87 HIS N N 86 117.253 116.177 1.076 1 1 1197 . 7 1 1 A 88 88 SER H H 87 8.846 8.859 -0.013 1 1 1198 . 7 1 1 A 88 88 SER HA H 87 4.702 4.576 0.126 1 1 1201 . 7 1 1 A 88 88 SER C C 87 175.739 175.494 0.245 1 1 1202 . 7 1 1 A 88 88 SER CA C 87 58.245 58.159 0.086 1 1 1203 . 7 1 1 A 88 88 SER CB C 87 63.764 64.739 -0.975 1 1 1204 . 7 1 1 A 88 88 SER N N 87 117.469 117.268 0.201 1 1 1205 . 7 1 1 A 89 89 MET H H 88 9.174 8.600 0.574 1 1 1206 . 7 1 1 A 89 89 MET HA H 88 4.820 4.889 -0.069 1 1 1214 . 7 1 1 A 89 89 MET C C 88 176.294 176.409 -0.115 1 1 1215 . 7 1 1 A 89 89 MET CA C 88 54.853 54.446 0.407 1 1 1216 . 7 1 1 A 89 89 MET CB C 88 33.183 32.109 1.074 1 1 1219 . 7 1 1 A 89 89 MET N N 88 125.111 119.422 5.689 1 1 1220 . 7 1 1 A 90 90 VAL H H 89 8.217 7.622 0.595 1 1 1221 . 7 1 1 A 90 90 VAL HA H 89 4.063 3.799 0.264 1 1 1229 . 7 1 1 A 90 90 VAL C C 89 176.249 176.878 -0.629 1 1 1230 . 7 1 1 A 90 90 VAL CA C 89 63.377 63.661 -0.284 1 1 1231 . 7 1 1 A 90 90 VAL CB C 89 32.473 31.597 0.876 1 1 1234 . 7 1 1 A 90 90 VAL N N 89 120.477 121.314 -0.837 1 1 1235 . 7 1 1 A 91 91 SER H H 90 8.356 8.852 -0.496 1 1 1236 . 7 1 1 A 91 91 SER HA H 90 4.614 4.125 0.489 1 1 1239 . 7 1 1 A 91 91 SER C C 90 175.841 173.660 2.181 1 1 1240 . 7 1 1 A 91 91 SER CA C 90 57.860 59.958 -2.098 1 1 1241 . 7 1 1 A 91 91 SER CB C 90 63.398 61.361 2.037 1 1 1242 . 7 1 1 A 91 91 SER N N 90 116.676 119.299 -2.623 1 1 1243 . 7 1 1 A 92 92 VAL H H 91 8.158 7.706 0.452 1 1 1244 . 7 1 1 A 92 92 VAL HA H 91 4.245 3.976 0.269 1 1 1252 . 7 1 1 A 92 92 VAL C C 91 175.856 175.640 0.216 1 1 1253 . 7 1 1 A 92 92 VAL CA C 91 63.121 63.472 -0.351 1 1 1254 . 7 1 1 A 92 92 VAL CB C 91 31.872 32.106 -0.234 1 1 1257 . 7 1 1 A 92 92 VAL N N 91 119.994 121.976 -1.982 1 1 1258 . 7 1 1 A 93 93 SER H H 92 8.368 8.840 -0.472 1 1 1259 . 7 1 1 A 93 93 SER HA H 92 4.581 4.759 -0.178 1 1 1262 . 7 1 1 A 93 93 SER C C 92 174.154 173.211 0.943 1 1 1263 . 7 1 1 A 93 93 SER CA C 92 57.706 57.204 0.502 1 1 1264 . 7 1 1 A 93 93 SER CB C 92 63.126 64.374 -1.248 1 1 1265 . 7 1 1 A 93 93 SER N N 92 116.504 126.483 -9.979 1 1 1266 . 7 1 1 A 94 94 THR H H 93 7.427 7.515 -0.088 1 1 1267 . 7 1 1 A 94 94 THR HA H 93 4.464 4.640 -0.176 1 1 1272 . 7 1 1 A 94 94 THR CA C 93 61.032 59.132 1.900 1 1 1273 . 7 1 1 A 94 94 THR CB C 93 70.505 71.598 -1.093 1 1 1275 . 7 1 1 A 94 94 THR N N 93 119.172 115.661 3.511 1 1 1276 . 7 1 1 A 95 95 PRO HA H 94 4.426 4.711 -0.285 1 1 1283 . 7 1 1 A 95 95 PRO C C 94 178.692 178.020 0.672 1 1 1284 . 7 1 1 A 95 95 PRO CA C 94 62.921 62.704 0.217 1 1 1285 . 7 1 1 A 95 95 PRO CB C 94 32.774 32.448 0.326 1 1 1288 . 7 1 1 A 96 96 ILE H H 95 9.324 9.053 0.271 1 1 1289 . 7 1 1 A 96 96 ILE HA H 95 3.956 4.016 -0.060 1 1 1299 . 7 1 1 A 96 96 ILE C C 95 176.415 176.904 -0.489 1 1 1300 . 7 1 1 A 96 96 ILE CA C 95 63.880 63.527 0.353 1 1 1301 . 7 1 1 A 96 96 ILE CB C 95 38.055 38.012 0.043 1 1 1305 . 7 1 1 A 96 96 ILE N N 95 123.862 125.556 -1.694 1 1 1306 . 7 1 1 A 97 97 SER H H 96 8.211 8.396 -0.185 1 1 1307 . 7 1 1 A 97 97 SER HA H 96 3.978 4.105 -0.127 1 1 1310 . 7 1 1 A 97 97 SER C C 96 176.494 177.337 -0.843 1 1 1311 . 7 1 1 A 97 97 SER CA C 96 61.576 61.475 0.101 1 1 1312 . 7 1 1 A 97 97 SER CB C 96 61.262 62.311 -1.049 1 1 1313 . 7 1 1 A 97 97 SER N N 96 116.529 117.468 -0.939 1 1 1314 . 7 1 1 A 98 98 GLU H H 97 7.329 8.036 -0.707 1 1 1315 . 7 1 1 A 98 98 GLU HA H 97 4.290 4.292 -0.002 1 1 1320 . 7 1 1 A 98 98 GLU C C 97 179.288 178.890 0.398 1 1 1321 . 7 1 1 A 98 98 GLU CA C 97 58.705 59.253 -0.548 1 1 1322 . 7 1 1 A 98 98 GLU CB C 97 29.791 30.317 -0.526 1 1 1324 . 7 1 1 A 98 98 GLU N N 97 122.955 122.807 0.148 1 1 1325 . 7 1 1 A 99 99 VAL H H 98 7.386 8.341 -0.955 1 1 1326 . 7 1 1 A 99 99 VAL HA H 98 3.815 3.828 -0.013 1 1 1334 . 7 1 1 A 99 99 VAL C C 98 177.662 178.262 -0.600 1 1 1335 . 7 1 1 A 99 99 VAL CA C 98 65.774 65.957 -0.183 1 1 1336 . 7 1 1 A 99 99 VAL CB C 98 32.047 31.788 0.259 1 1 1339 . 7 1 1 A 99 99 VAL N N 98 120.888 120.868 0.020 1 1 1340 . 7 1 1 A 100 100 TYR H H 99 8.984 7.824 1.160 1 1 1341 . 7 1 1 A 100 100 TYR HA H 99 4.013 4.224 -0.211 1 1 1348 . 7 1 1 A 100 100 TYR C C 99 176.355 178.380 -2.025 1 1 1349 . 7 1 1 A 100 100 TYR CA C 99 62.118 61.397 0.721 1 1 1350 . 7 1 1 A 100 100 TYR CB C 99 38.921 39.004 -0.083 1 1 1353 . 7 1 1 A 100 100 TYR N N 99 118.874 120.950 -2.076 1 1 1354 . 7 1 1 A 101 101 GLU H H 100 7.433 8.538 -1.105 1 1 1355 . 7 1 1 A 101 101 GLU HA H 100 3.833 4.101 -0.268 1 1 1360 . 7 1 1 A 101 101 GLU C C 100 177.674 176.882 0.792 1 1 1361 . 7 1 1 A 101 101 GLU CA C 100 58.895 58.032 0.863 1 1 1362 . 7 1 1 A 101 101 GLU CB C 100 29.577 28.502 1.075 1 1 1364 . 7 1 1 A 101 101 GLU N N 100 114.383 117.917 -3.534 1 1 1365 . 7 1 1 A 102 102 SER H H 101 7.423 8.260 -0.837 1 1 1366 . 7 1 1 A 102 102 SER HA H 101 4.552 4.547 0.005 1 1 1369 . 7 1 1 A 102 102 SER C C 101 176.554 174.766 1.788 1 1 1370 . 7 1 1 A 102 102 SER CA C 101 60.200 58.996 1.204 1 1 1371 . 7 1 1 A 102 102 SER CB C 101 64.828 64.252 0.576 1 1 1372 . 7 1 1 A 102 102 SER N N 101 108.722 115.114 -6.392 1 1 1373 . 7 1 1 A 103 103 GLU H H 102 8.488 8.036 0.452 1 1 1374 . 7 1 1 A 103 103 GLU HA H 102 4.752 4.477 0.275 1 1 1379 . 7 1 1 A 103 103 GLU C C 102 176.653 176.379 0.274 1 1 1380 . 7 1 1 A 103 103 GLU CA C 102 55.464 57.445 -1.981 1 1 1381 . 7 1 1 A 103 103 GLU CB C 102 30.611 31.675 -1.064 1 1 1383 . 7 1 1 A 103 103 GLU N N 102 116.116 118.583 -2.467 1 1 1384 . 7 1 1 A 104 104 ARG H H 103 7.511 7.655 -0.144 1 1 1385 . 7 1 1 A 104 104 ARG HA H 103 4.241 4.290 -0.049 1 1 1392 . 7 1 1 A 104 104 ARG C C 103 174.634 174.955 -0.321 1 1 1393 . 7 1 1 A 104 104 ARG CA C 103 56.926 56.188 0.738 1 1 1394 . 7 1 1 A 104 104 ARG CB C 103 29.713 29.954 -0.241 1 1 1397 . 7 1 1 A 104 104 ARG N N 103 117.180 118.731 -1.551 1 1 1398 . 7 1 1 A 105 105 ASP H H 104 9.069 8.270 0.799 1 1 1399 . 7 1 1 A 105 105 ASP HA H 104 4.774 4.964 -0.190 1 1 1402 . 7 1 1 A 105 105 ASP C C 104 177.460 176.448 1.012 1 1 1403 . 7 1 1 A 105 105 ASP CA C 104 53.852 51.949 1.903 1 1 1404 . 7 1 1 A 105 105 ASP CB C 104 43.424 44.124 -0.700 1 1 1405 . 7 1 1 A 105 105 ASP N N 104 123.349 122.187 1.162 1 1 1406 . 7 1 1 A 106 106 GLU H H 105 8.982 8.898 0.084 1 1 1407 . 7 1 1 A 106 106 GLU HA H 105 4.199 4.041 0.158 1 1 1412 . 7 1 1 A 106 106 GLU C C 105 177.398 178.145 -0.747 1 1 1413 . 7 1 1 A 106 106 GLU CA C 105 59.413 59.378 0.035 1 1 1414 . 7 1 1 A 106 106 GLU CB C 105 29.983 29.304 0.679 1 1 1416 . 7 1 1 A 106 106 GLU N N 105 125.197 123.274 1.923 1 1 1417 . 7 1 1 A 107 107 ASP H H 106 9.873 8.113 1.760 1 1 1418 . 7 1 1 A 107 107 ASP HA H 106 4.211 4.141 0.070 1 1 1421 . 7 1 1 A 107 107 ASP C C 106 175.775 176.733 -0.958 1 1 1422 . 7 1 1 A 107 107 ASP CA C 106 54.698 54.918 -0.220 1 1 1423 . 7 1 1 A 107 107 ASP CB C 106 40.187 41.739 -1.552 1 1 1424 . 7 1 1 A 107 107 ASP N N 106 118.717 116.878 1.839 1 1 1425 . 7 1 1 A 108 108 GLY H H 107 7.971 8.206 -0.235 1 1 1426 . 7 1 1 A 108 108 GLY HA2 H 107 3.431 3.915 -0.484 1 1 1427 . 7 1 1 A 108 108 GLY HA3 H 107 4.526 3.949 0.577 1 1 1428 . 7 1 1 A 108 108 GLY C C 107 175.138 174.195 0.943 1 1 1429 . 7 1 1 A 108 108 GLY CA C 107 45.029 45.502 -0.473 1 1 1430 . 7 1 1 A 108 108 GLY N N 107 105.017 108.882 -3.865 1 1 1431 . 7 1 1 A 109 109 PHE H H 108 9.799 8.147 1.652 1 1 1432 . 7 1 1 A 109 109 PHE HA H 108 4.607 4.928 -0.321 1 1 1440 . 7 1 1 A 109 109 PHE C C 108 175.171 175.076 0.095 1 1 1441 . 7 1 1 A 109 109 PHE CA C 108 60.222 56.670 3.552 1 1 1442 . 7 1 1 A 109 109 PHE CB C 108 40.433 41.799 -1.366 1 1 1446 . 7 1 1 A 109 109 PHE N N 108 123.309 118.493 4.816 1 1 1447 . 7 1 1 A 110 110 LEU H H 109 8.061 8.967 -0.906 1 1 1448 . 7 1 1 A 110 110 LEU HA H 109 5.022 4.543 0.479 1 1 1458 . 7 1 1 A 110 110 LEU C C 109 174.033 175.933 -1.900 1 1 1459 . 7 1 1 A 110 110 LEU CA C 109 53.539 54.792 -1.253 1 1 1460 . 7 1 1 A 110 110 LEU CB C 109 45.284 42.448 2.836 1 1 1464 . 7 1 1 A 110 110 LEU N N 109 119.999 124.571 -4.572 1 1 1465 . 7 1 1 A 111 111 TYR H H 110 9.363 9.349 0.014 1 1 1466 . 7 1 1 A 111 111 TYR HA H 110 4.906 5.152 -0.246 1 1 1473 . 7 1 1 A 111 111 TYR C C 110 176.538 174.932 1.606 1 1 1474 . 7 1 1 A 111 111 TYR CA C 110 59.335 56.630 2.705 1 1 1475 . 7 1 1 A 111 111 TYR CB C 110 39.485 40.074 -0.589 1 1 1478 . 7 1 1 A 111 111 TYR N N 110 126.322 122.979 3.343 1 1 1479 . 7 1 1 A 112 112 MET H H 111 9.496 8.687 0.809 1 1 1480 . 7 1 1 A 112 112 MET HA H 111 5.522 5.500 0.022 1 1 1488 . 7 1 1 A 112 112 MET C C 111 175.676 174.363 1.313 1 1 1489 . 7 1 1 A 112 112 MET CA C 111 54.216 54.472 -0.256 1 1 1490 . 7 1 1 A 112 112 MET CB C 111 36.821 37.122 -0.301 1 1 1493 . 7 1 1 A 112 112 MET N N 111 119.003 123.554 -4.551 1 1 1494 . 7 1 1 A 113 113 VAL H H 112 8.749 9.028 -0.279 1 1 1495 . 7 1 1 A 113 113 VAL HA H 112 5.967 4.862 1.105 1 1 1503 . 7 1 1 A 113 113 VAL C C 112 174.893 175.188 -0.295 1 1 1504 . 7 1 1 A 113 113 VAL CA C 112 58.896 61.123 -2.227 1 1 1505 . 7 1 1 A 113 113 VAL CB C 112 36.149 33.180 2.969 1 1 1508 . 7 1 1 A 113 113 VAL N N 112 119.658 122.530 -2.872 1 1 1509 . 7 1 1 A 114 114 TYR H H 113 8.210 8.595 -0.385 1 1 1510 . 7 1 1 A 114 114 TYR HA H 113 6.141 5.948 0.193 1 1 1517 . 7 1 1 A 114 114 TYR C C 113 173.353 173.789 -0.436 1 1 1518 . 7 1 1 A 114 114 TYR CA C 113 54.161 54.808 -0.647 1 1 1519 . 7 1 1 A 114 114 TYR CB C 113 43.538 42.134 1.404 1 1 1522 . 7 1 1 A 114 114 TYR N N 113 118.947 125.062 -6.115 1 1 1523 . 7 1 1 A 115 115 ALA H H 114 8.483 8.328 0.155 1 1 1524 . 7 1 1 A 115 115 ALA HA H 114 4.762 4.691 0.071 1 1 1528 . 7 1 1 A 115 115 ALA C C 114 176.033 176.644 -0.611 1 1 1529 . 7 1 1 A 115 115 ALA CA C 114 51.223 51.125 0.098 1 1 1530 . 7 1 1 A 115 115 ALA CB C 114 24.521 22.278 2.243 1 1 1531 . 7 1 1 A 115 115 ALA N N 114 119.557 121.361 -1.804 1 1 1532 . 7 1 1 A 116 116 SER H H 115 9.835 8.711 1.124 1 1 1533 . 7 1 1 A 116 116 SER HA H 115 4.497 4.682 -0.185 1 1 1536 . 7 1 1 A 116 116 SER C C 115 172.664 173.758 -1.094 1 1 1537 . 7 1 1 A 116 116 SER CA C 115 58.669 58.187 0.482 1 1 1538 . 7 1 1 A 116 116 SER CB C 115 63.570 62.924 0.646 1 1 1539 . 7 1 1 A 116 116 SER N N 115 114.435 114.527 -0.092 1 1 1540 . 7 1 1 A 117 117 GLN H H 116 7.180 7.617 -0.437 1 1 1541 . 7 1 1 A 117 117 GLN HA H 116 4.460 4.801 -0.341 1 1 1548 . 7 1 1 A 117 117 GLN C C 116 172.901 175.188 -2.287 1 1 1549 . 7 1 1 A 117 117 GLN CA C 116 53.974 54.448 -0.474 1 1 1550 . 7 1 1 A 117 117 GLN CB C 116 32.192 31.964 0.228 1 1 1553 . 7 1 1 A 117 117 GLN N N 116 116.449 117.642 -1.193 1 1 1555 . 7 1 1 A 118 118 GLU H H 117 7.878 8.626 -0.748 1 1 1556 . 7 1 1 A 118 118 GLU HA H 117 3.259 4.406 -1.147 1 1 1561 . 7 1 1 A 118 118 GLU C C 117 175.233 176.722 -1.489 1 1 1562 . 7 1 1 A 118 118 GLU CA C 117 56.890 56.581 0.309 1 1 1563 . 7 1 1 A 118 118 GLU CB C 117 30.325 30.502 -0.177 1 1 1565 . 7 1 1 A 118 118 GLU N N 117 117.687 122.683 -4.996 1 1 1566 . 7 1 1 A 119 119 THR H H 118 6.968 7.390 -0.422 1 1 1567 . 7 1 1 A 119 119 THR HA H 118 4.082 4.445 -0.363 1 1 1572 . 7 1 1 A 119 119 THR C C 118 173.134 174.574 -1.440 1 1 1573 . 7 1 1 A 119 119 THR CA C 118 60.123 59.715 0.408 1 1 1574 . 7 1 1 A 119 119 THR CB C 118 70.147 68.618 1.529 1 1 1576 . 7 1 1 A 119 119 THR N N 118 109.548 108.606 0.942 1 1 1577 . 7 1 1 A 120 120 PHE H H 119 8.138 7.763 0.375 1 1 1578 . 7 1 1 A 120 120 PHE HA H 119 4.436 4.410 0.026 1 1 1586 . 7 1 1 A 120 120 PHE C C 119 174.902 177.023 -2.121 1 1 1587 . 7 1 1 A 120 120 PHE CA C 119 56.750 58.028 -1.278 1 1 1588 . 7 1 1 A 120 120 PHE CB C 119 39.411 39.395 0.016 1 1 1592 . 7 1 1 A 120 120 PHE N N 119 121.777 121.308 0.469 1 1 1607 . 7 2 2 B 2 2 SER H H 332 8.471 7.708 0.763 1 1 1608 . 7 2 2 B 2 2 SER HA H 332 4.484 4.640 -0.156 1 1 1611 . 7 2 2 B 2 2 SER C C 332 174.962 175.230 -0.268 1 1 1612 . 7 2 2 B 2 2 SER CA C 332 88.436 57.101 31.335 1 1 1613 . 7 2 2 B 2 2 SER CB C 332 93.927 66.153 27.774 1 1 1614 . 7 2 2 B 2 2 SER N N 332 147.261 113.343 33.918 1 1 1615 . 7 2 2 B 3 3 GLY H H 333 8.601 8.558 0.043 1 1 1616 . 7 2 2 B 3 3 GLY HA2 H 333 4.022 3.884 0.138 1 1 1617 . 7 2 2 B 3 3 GLY HA3 H 333 4.022 3.892 0.130 1 1 1618 . 7 2 2 B 3 3 GLY C C 333 174.774 175.515 -0.741 1 1 1619 . 7 2 2 B 3 3 GLY CA C 333 75.465 46.689 28.776 1 1 1620 . 7 2 2 B 3 3 GLY N N 333 141.077 109.415 31.662 1 1 1621 . 7 2 2 B 4 4 GLY H H 334 8.372 8.233 0.139 1 1 1622 . 7 2 2 B 4 4 GLY HA2 H 334 3.980 3.906 0.074 1 1 1623 . 7 2 2 B 4 4 GLY HA3 H 334 3.980 3.912 0.068 1 1 1624 . 7 2 2 B 4 4 GLY C C 334 174.758 174.917 -0.159 1 1 1625 . 7 2 2 B 4 4 GLY CA C 334 75.674 46.903 28.771 1 1 1626 . 7 2 2 B 4 4 GLY N N 334 138.894 107.435 31.459 1 1 1627 . 7 2 2 B 5 5 ASP H H 335 8.429 7.882 0.547 1 1 1628 . 7 2 2 B 5 5 ASP HA H 335 4.610 5.003 -0.393 1 1 1631 . 7 2 2 B 5 5 ASP CA C 335 85.066 53.384 31.682 1 1 1632 . 7 2 2 B 5 5 ASP CB C 335 71.191 40.410 30.781 1 1 1633 . 7 2 2 B 5 5 ASP N N 335 149.637 118.441 31.196 1 1 1634 . 7 2 2 B 6 6 ASP H H 336 8.244 8.256 -0.012 1 1 1635 . 7 2 2 B 6 6 ASP HA H 336 4.559 4.466 0.093 1 1 1638 . 7 2 2 B 6 6 ASP C C 336 175.432 175.685 -0.253 1 1 1639 . 7 2 2 B 6 6 ASP CA C 336 84.708 55.438 29.270 1 1 1640 . 7 2 2 B 6 6 ASP CB C 336 71.552 40.289 31.263 1 1 1641 . 7 2 2 B 6 6 ASP N N 336 148.885 120.028 28.857 1 1 1642 . 7 2 2 B 7 7 ASP H H 337 7.803 7.778 0.025 1 1 1643 . 7 2 2 B 7 7 ASP HA H 337 4.655 5.040 -0.385 1 1 1646 . 7 2 2 B 7 7 ASP C C 337 175.362 174.908 0.454 1 1 1647 . 7 2 2 B 7 7 ASP CA C 337 83.670 53.116 30.554 1 1 1648 . 7 2 2 B 7 7 ASP CB C 337 71.933 44.156 27.777 1 1 1649 . 7 2 2 B 7 7 ASP N N 337 149.563 116.079 33.484 1 1 1650 . 7 2 2 B 8 8 TRP H H 338 8.472 8.610 -0.138 1 1 1651 . 7 2 2 B 8 8 TRP HA H 338 4.174 4.847 -0.673 1 1 1660 . 7 2 2 B 8 8 TRP C C 338 175.959 176.111 -0.152 1 1 1661 . 7 2 2 B 8 8 TRP CA C 338 87.020 57.478 29.542 1 1 1662 . 7 2 2 B 8 8 TRP CB C 338 61.223 30.034 31.189 1 1 1668 . 7 2 2 B 8 8 TRP N N 338 150.172 123.015 27.157 1 1 1670 . 7 2 2 B 9 9 THR H H 339 7.994 8.877 -0.883 1 1 1671 . 7 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1 1 1676 . 7 2 2 B 9 9 THR C C 339 174.035 173.908 0.127 1 1 1677 . 7 2 2 B 9 9 THR CA C 339 92.659 61.421 31.238 1 1 1678 . 7 2 2 B 9 9 THR CB C 339 99.436 70.598 28.838 1 1 1680 . 7 2 2 B 9 9 THR N N 339 149.503 114.709 34.794 1 1 1681 . 7 2 2 B 10 10 HIS H H 340 9.463 8.102 1.361 1 1 1682 . 7 2 2 B 10 10 HIS HA H 340 4.677 5.149 -0.472 1 1 1687 . 7 2 2 B 10 10 HIS C C 340 175.606 174.022 1.584 1 1 1688 . 7 2 2 B 10 10 HIS CA C 340 87.024 54.746 32.278 1 1 1689 . 7 2 2 B 10 10 HIS CB C 340 61.368 31.660 29.708 1 1 1692 . 7 2 2 B 10 10 HIS N N 340 159.135 123.165 35.970 1 1 1693 . 7 2 2 B 11 11 LEU H H 341 8.398 9.133 -0.735 1 1 1694 . 7 2 2 B 11 11 LEU HA H 341 4.848 4.723 0.125 1 1 1704 . 7 2 2 B 11 11 LEU C C 341 175.919 175.864 0.055 1 1 1705 . 7 2 2 B 11 11 LEU CA C 341 83.684 54.065 29.619 1 1 1706 . 7 2 2 B 11 11 LEU CB C 341 73.601 41.147 32.454 1 1 1710 . 7 2 2 B 11 11 LEU N N 341 153.300 126.307 26.993 1 1 1711 . 7 2 2 B 12 12 SER H H 342 8.382 8.963 -0.581 1 1 1712 . 7 2 2 B 12 12 SER HA H 342 4.652 4.759 -0.107 1 1 1715 . 7 2 2 B 12 12 SER C C 342 174.263 174.847 -0.584 1 1 1716 . 7 2 2 B 12 12 SER CA C 342 86.841 58.477 28.364 1 1 1717 . 7 2 2 B 12 12 SER CB C 342 95.113 63.813 31.300 1 1 1718 . 7 2 2 B 12 12 SER N N 342 144.018 121.867 22.151 1 1 1719 . 7 2 2 B 13 13 SER H H 343 8.937 9.060 -0.123 1 1 1720 . 7 2 2 B 13 13 SER HA H 343 4.291 4.452 -0.161 1 1 1723 . 7 2 2 B 13 13 SER C C 343 174.652 175.184 -0.532 1 1 1724 . 7 2 2 B 13 13 SER CA C 343 89.546 59.510 30.036 1 1 1725 . 7 2 2 B 13 13 SER CB C 343 93.470 63.557 29.913 1 1 1726 . 7 2 2 B 13 13 SER N N 343 148.575 120.564 28.011 1 1 1727 . 7 2 2 B 14 14 LYS H H 344 8.250 8.289 -0.039 1 1 1728 . 7 2 2 B 14 14 LYS HA H 344 4.319 4.225 0.094 1 1 1737 . 7 2 2 B 14 14 LYS C C 344 176.699 177.748 -1.049 1 1 1738 . 7 2 2 B 14 14 LYS CA C 344 86.716 58.301 28.415 1 1 1739 . 7 2 2 B 14 14 LYS CB C 344 62.831 33.497 29.334 1 1 1743 . 7 2 2 B 14 14 LYS N N 344 151.908 119.413 32.495 1 1 1744 . 7 2 2 B 15 15 GLU H H 345 8.256 7.779 0.477 1 1 1745 . 7 2 2 B 15 15 GLU HA H 345 4.240 4.374 -0.134 1 1 1750 . 7 2 2 B 15 15 GLU C C 345 176.152 176.264 -0.112 1 1 1751 . 7 2 2 B 15 15 GLU CA C 345 87.152 56.878 30.274 1 1 1752 . 7 2 2 B 15 15 GLU CB C 345 60.176 30.004 30.172 1 1 1754 . 7 2 2 B 15 15 GLU N N 345 150.679 118.319 32.360 1 1 1755 . 7 2 2 B 16 16 VAL H H 346 7.762 7.293 0.469 1 1 1756 . 7 2 2 B 16 16 VAL HA H 346 4.161 4.281 -0.120 1 1 1764 . 7 2 2 B 16 16 VAL C C 346 174.646 175.964 -1.318 1 1 1765 . 7 2 2 B 16 16 VAL CA C 346 91.707 60.568 31.139 1 1 1766 . 7 2 2 B 16 16 VAL CB C 346 63.107 33.545 29.562 1 1 1769 . 7 2 2 B 16 16 VAL N N 346 146.718 115.507 31.211 1 1 9 . 8 1 1 A 2 2 MET H H 1 8.414 8.106 0.308 1 1 10 . 8 1 1 A 2 2 MET HA H 1 4.826 4.176 0.650 1 1 18 . 8 1 1 A 2 2 MET CA C 1 53.382 55.706 -2.324 1 1 19 . 8 1 1 A 2 2 MET CB C 1 32.478 31.497 0.981 1 1 22 . 8 1 1 A 2 2 MET N N 1 122.882 117.318 5.564 1 1 23 . 8 1 1 A 3 3 PRO HA H 2 4.425 4.708 -0.283 1 1 30 . 8 1 1 A 3 3 PRO C C 2 176.847 175.012 1.835 1 1 31 . 8 1 1 A 3 3 PRO CA C 2 63.386 62.468 0.918 1 1 32 . 8 1 1 A 3 3 PRO CB C 2 32.077 29.719 2.358 1 1 35 . 8 1 1 A 4 4 SER H H 3 8.347 8.390 -0.043 1 1 36 . 8 1 1 A 4 4 SER HA H 3 4.391 4.856 -0.465 1 1 39 . 8 1 1 A 4 4 SER C C 3 174.643 172.324 2.319 1 1 40 . 8 1 1 A 4 4 SER CA C 3 58.336 56.545 1.791 1 1 41 . 8 1 1 A 4 4 SER CB C 3 63.798 64.330 -0.532 1 1 42 . 8 1 1 A 4 4 SER N N 3 115.234 118.938 -3.704 1 1 43 . 8 1 1 A 5 5 GLU H H 4 8.472 8.761 -0.289 1 1 44 . 8 1 1 A 5 5 GLU HA H 4 4.297 4.988 -0.691 1 1 49 . 8 1 1 A 5 5 GLU C C 4 176.352 175.167 1.185 1 1 50 . 8 1 1 A 5 5 GLU CA C 4 56.572 54.467 2.105 1 1 51 . 8 1 1 A 5 5 GLU CB C 4 30.285 33.615 -3.330 1 1 53 . 8 1 1 A 5 5 GLU N N 4 123.045 119.381 3.664 1 1 54 . 8 1 1 A 6 6 LYS H H 5 8.214 8.238 -0.024 1 1 55 . 8 1 1 A 6 6 LYS HA H 5 4.500 4.382 0.118 1 1 64 . 8 1 1 A 6 6 LYS C C 5 177.243 175.914 1.329 1 1 65 . 8 1 1 A 6 6 LYS CA C 5 55.943 56.402 -0.459 1 1 66 . 8 1 1 A 6 6 LYS CB C 5 34.621 33.477 1.144 1 1 70 . 8 1 1 A 6 6 LYS N N 5 121.467 122.224 -0.757 1 1 71 . 8 1 1 A 7 7 THR H H 6 8.431 8.193 0.238 1 1 72 . 8 1 1 A 7 7 THR HA H 6 4.383 4.822 -0.439 1 1 77 . 8 1 1 A 7 7 THR C C 6 175.360 175.563 -0.203 1 1 78 . 8 1 1 A 7 7 THR CA C 6 61.124 58.931 2.193 1 1 79 . 8 1 1 A 7 7 THR CB C 6 69.863 71.258 -1.395 1 1 81 . 8 1 1 A 7 7 THR N N 6 114.691 110.874 3.817 1 1 82 . 8 1 1 A 8 8 PHE H H 7 10.194 8.849 1.345 1 1 83 . 8 1 1 A 8 8 PHE HA H 7 3.904 4.199 -0.295 1 1 88 . 8 1 1 A 8 8 PHE C C 7 177.000 177.028 -0.028 1 1 89 . 8 1 1 A 8 8 PHE CA C 7 63.388 60.757 2.631 1 1 90 . 8 1 1 A 8 8 PHE CB C 7 39.586 38.160 1.426 1 1 92 . 8 1 1 A 8 8 PHE N N 7 124.861 121.342 3.519 1 1 93 . 8 1 1 A 9 9 LYS H H 8 8.707 7.605 1.102 1 1 94 . 8 1 1 A 9 9 LYS HA H 8 3.761 4.078 -0.317 1 1 103 . 8 1 1 A 9 9 LYS C C 8 177.496 178.822 -1.326 1 1 104 . 8 1 1 A 9 9 LYS CA C 8 59.945 59.179 0.766 1 1 105 . 8 1 1 A 9 9 LYS CB C 8 33.870 31.843 2.027 1 1 109 . 8 1 1 A 9 9 LYS N N 8 114.189 119.805 -5.616 1 1 110 . 8 1 1 A 10 10 GLN H H 9 7.284 7.877 -0.593 1 1 111 . 8 1 1 A 10 10 GLN HA H 9 4.113 4.128 -0.015 1 1 118 . 8 1 1 A 10 10 GLN C C 9 177.416 178.127 -0.711 1 1 119 . 8 1 1 A 10 10 GLN CA C 9 56.743 58.060 -1.317 1 1 120 . 8 1 1 A 10 10 GLN CB C 9 30.002 28.984 1.018 1 1 123 . 8 1 1 A 10 10 GLN N N 9 112.843 118.902 -6.059 1 1 125 . 8 1 1 A 11 11 ARG H H 10 7.889 8.157 -0.268 1 1 126 . 8 1 1 A 11 11 ARG HA H 10 4.255 3.979 0.276 1 1 133 . 8 1 1 A 11 11 ARG C C 10 175.059 176.563 -1.504 1 1 134 . 8 1 1 A 11 11 ARG CA C 10 57.018 59.473 -2.455 1 1 135 . 8 1 1 A 11 11 ARG CB C 10 31.628 30.451 1.177 1 1 138 . 8 1 1 A 11 11 ARG N N 10 117.567 121.091 -3.524 1 1 139 . 8 1 1 A 12 12 ARG H H 11 7.443 7.890 -0.447 1 1 140 . 8 1 1 A 12 12 ARG HA H 11 4.493 4.489 0.004 1 1 147 . 8 1 1 A 12 12 ARG CA C 11 54.172 56.712 -2.540 1 1 148 . 8 1 1 A 12 12 ARG CB C 11 32.857 30.989 1.868 1 1 151 . 8 1 1 A 12 12 ARG N N 11 122.786 120.072 2.714 1 1 152 . 8 1 1 A 13 13 SER HA H 12 4.403 4.503 -0.100 1 1 155 . 8 1 1 A 13 13 SER C C 12 174.222 175.682 -1.460 1 1 156 . 8 1 1 A 13 13 SER CA C 12 58.274 59.945 -1.671 1 1 157 . 8 1 1 A 13 13 SER CB C 12 64.821 63.469 1.352 1 1 158 . 8 1 1 A 14 14 PHE H H 13 9.239 9.326 -0.087 1 1 159 . 8 1 1 A 14 14 PHE HA H 13 4.035 4.160 -0.125 1 1 165 . 8 1 1 A 14 14 PHE C C 13 176.023 177.196 -1.173 1 1 166 . 8 1 1 A 14 14 PHE CA C 13 62.790 62.509 0.281 1 1 167 . 8 1 1 A 14 14 PHE CB C 13 39.580 39.417 0.163 1 1 169 . 8 1 1 A 14 14 PHE N N 13 123.729 125.238 -1.509 1 1 170 . 8 1 1 A 15 15 GLU H H 14 9.093 8.681 0.412 1 1 171 . 8 1 1 A 15 15 GLU HA H 14 3.813 4.217 -0.404 1 1 176 . 8 1 1 A 15 15 GLU C C 14 179.549 178.815 0.734 1 1 177 . 8 1 1 A 15 15 GLU CA C 14 60.444 58.659 1.785 1 1 178 . 8 1 1 A 15 15 GLU CB C 14 28.804 29.301 -0.497 1 1 180 . 8 1 1 A 15 15 GLU N N 14 115.336 117.359 -2.023 1 1 181 . 8 1 1 A 16 16 GLN H H 15 7.752 8.127 -0.375 1 1 182 . 8 1 1 A 16 16 GLN HA H 15 4.044 4.110 -0.066 1 1 189 . 8 1 1 A 16 16 GLN C C 15 177.931 178.111 -0.180 1 1 190 . 8 1 1 A 16 16 GLN CA C 15 58.486 58.703 -0.217 1 1 191 . 8 1 1 A 16 16 GLN CB C 15 29.393 28.794 0.599 1 1 194 . 8 1 1 A 16 16 GLN N N 15 119.145 120.526 -1.381 1 1 196 . 8 1 1 A 17 17 ARG H H 16 8.577 7.904 0.673 1 1 197 . 8 1 1 A 17 17 ARG HA H 16 4.280 4.244 0.036 1 1 202 . 8 1 1 A 17 17 ARG C C 16 177.128 178.783 -1.655 1 1 203 . 8 1 1 A 17 17 ARG CA C 16 61.442 59.628 1.814 1 1 204 . 8 1 1 A 17 17 ARG N N 16 121.288 120.117 1.171 1 1 205 . 8 1 1 A 18 18 VAL H H 17 8.329 8.204 0.125 1 1 206 . 8 1 1 A 18 18 VAL HA H 17 3.938 3.943 -0.005 1 1 214 . 8 1 1 A 18 18 VAL C C 17 179.744 177.137 2.607 1 1 215 . 8 1 1 A 18 18 VAL CA C 17 65.441 64.419 1.022 1 1 216 . 8 1 1 A 18 18 VAL CB C 17 32.080 31.238 0.842 1 1 219 . 8 1 1 A 18 18 VAL N N 17 116.752 119.203 -2.451 1 1 220 . 8 1 1 A 19 19 GLU H H 18 7.445 7.910 -0.465 1 1 221 . 8 1 1 A 19 19 GLU HA H 18 4.270 4.100 0.170 1 1 226 . 8 1 1 A 19 19 GLU C C 18 177.625 178.253 -0.628 1 1 227 . 8 1 1 A 19 19 GLU CA C 18 58.637 59.000 -0.363 1 1 228 . 8 1 1 A 19 19 GLU CB C 18 29.398 29.489 -0.091 1 1 230 . 8 1 1 A 19 19 GLU N N 18 120.323 121.047 -0.724 1 1 231 . 8 1 1 A 20 20 ASP H H 19 8.690 8.205 0.485 1 1 232 . 8 1 1 A 20 20 ASP HA H 19 4.514 4.433 0.081 1 1 235 . 8 1 1 A 20 20 ASP C C 19 179.877 177.971 1.906 1 1 236 . 8 1 1 A 20 20 ASP CA C 19 57.224 56.806 0.418 1 1 237 . 8 1 1 A 20 20 ASP CB C 19 41.487 41.187 0.300 1 1 238 . 8 1 1 A 20 20 ASP N N 19 120.313 120.005 0.308 1 1 239 . 8 1 1 A 21 21 VAL H H 20 7.731 7.790 -0.059 1 1 240 . 8 1 1 A 21 21 VAL HA H 20 3.394 3.409 -0.015 1 1 248 . 8 1 1 A 21 21 VAL C C 20 176.989 177.434 -0.445 1 1 249 . 8 1 1 A 21 21 VAL CA C 20 65.989 65.387 0.602 1 1 250 . 8 1 1 A 21 21 VAL CB C 20 31.291 31.027 0.264 1 1 253 . 8 1 1 A 21 21 VAL N N 20 119.119 117.905 1.214 1 1 254 . 8 1 1 A 22 22 ARG H H 21 8.313 7.641 0.672 1 1 255 . 8 1 1 A 22 22 ARG HA H 21 3.825 3.934 -0.109 1 1 263 . 8 1 1 A 22 22 ARG C C 21 180.178 178.302 1.876 1 1 264 . 8 1 1 A 22 22 ARG CA C 21 59.821 59.236 0.585 1 1 265 . 8 1 1 A 22 22 ARG CB C 21 30.164 29.887 0.277 1 1 269 . 8 1 1 A 22 22 ARG N N 21 120.772 121.832 -1.060 1 1 271 . 8 1 1 A 23 23 LEU H H 22 8.306 7.729 0.577 1 1 272 . 8 1 1 A 23 23 LEU HA H 22 4.076 3.974 0.102 1 1 282 . 8 1 1 A 23 23 LEU C C 22 180.221 178.979 1.242 1 1 283 . 8 1 1 A 23 23 LEU CA C 22 57.541 57.910 -0.369 1 1 284 . 8 1 1 A 23 23 LEU CB C 22 42.300 41.915 0.385 1 1 288 . 8 1 1 A 23 23 LEU N N 22 116.413 119.263 -2.850 1 1 289 . 8 1 1 A 24 24 ILE H H 23 7.864 8.088 -0.224 1 1 290 . 8 1 1 A 24 24 ILE HA H 23 4.090 3.785 0.305 1 1 300 . 8 1 1 A 24 24 ILE C C 23 177.922 178.193 -0.271 1 1 301 . 8 1 1 A 24 24 ILE CA C 23 60.190 64.054 -3.864 1 1 302 . 8 1 1 A 24 24 ILE CB C 23 38.072 37.194 0.878 1 1 306 . 8 1 1 A 24 24 ILE N N 23 121.259 118.453 2.806 1 1 307 . 8 1 1 A 25 25 ARG H H 24 8.339 8.388 -0.049 1 1 308 . 8 1 1 A 25 25 ARG HA H 24 3.973 4.019 -0.046 1 1 316 . 8 1 1 A 25 25 ARG C C 24 178.479 177.922 0.557 1 1 317 . 8 1 1 A 25 25 ARG CA C 24 57.337 58.984 -1.647 1 1 318 . 8 1 1 A 25 25 ARG CB C 24 28.663 29.917 -1.254 1 1 322 . 8 1 1 A 25 25 ARG N N 24 121.816 120.618 1.198 1 1 324 . 8 1 1 A 26 26 GLU H H 25 7.133 8.241 -1.108 1 1 325 . 8 1 1 A 26 26 GLU HA H 25 4.052 4.343 -0.291 1 1 330 . 8 1 1 A 26 26 GLU C C 25 178.158 178.213 -0.055 1 1 331 . 8 1 1 A 26 26 GLU CA C 25 58.367 57.841 0.526 1 1 332 . 8 1 1 A 26 26 GLU CB C 25 29.903 30.460 -0.557 1 1 334 . 8 1 1 A 26 26 GLU N N 25 116.794 117.271 -0.477 1 1 335 . 8 1 1 A 27 27 GLN H H 26 7.283 8.333 -1.050 1 1 336 . 8 1 1 A 27 27 GLN HA H 26 3.888 4.284 -0.396 1 1 343 . 8 1 1 A 27 27 GLN C C 26 176.088 176.009 0.079 1 1 344 . 8 1 1 A 27 27 GLN CA C 26 57.676 57.594 0.082 1 1 345 . 8 1 1 A 27 27 GLN CB C 26 30.382 29.940 0.442 1 1 348 . 8 1 1 A 27 27 GLN N N 26 116.373 117.646 -1.273 1 1 350 . 8 1 1 A 28 28 HIS H H 27 8.223 8.613 -0.390 1 1 351 . 8 1 1 A 28 28 HIS HA H 27 4.941 5.060 -0.119 1 1 356 . 8 1 1 A 28 28 HIS CA C 27 53.278 53.156 0.122 1 1 357 . 8 1 1 A 28 28 HIS CB C 27 30.933 29.830 1.103 1 1 360 . 8 1 1 A 28 28 HIS N N 27 115.408 116.126 -0.718 1 1 361 . 8 1 1 A 29 29 PRO HA H 28 4.562 4.337 0.225 1 1 368 . 8 1 1 A 29 29 PRO C C 28 178.046 177.663 0.383 1 1 369 . 8 1 1 A 29 29 PRO CA C 28 64.821 64.609 0.212 1 1 370 . 8 1 1 A 29 29 PRO CB C 28 32.447 32.049 0.398 1 1 373 . 8 1 1 A 30 30 THR H H 29 7.820 7.749 0.071 1 1 374 . 8 1 1 A 30 30 THR HA H 29 4.583 4.371 0.212 1 1 379 . 8 1 1 A 30 30 THR C C 29 172.723 173.405 -0.682 1 1 380 . 8 1 1 A 30 30 THR CA C 29 60.826 61.516 -0.690 1 1 381 . 8 1 1 A 30 30 THR CB C 29 68.641 68.766 -0.125 1 1 383 . 8 1 1 A 30 30 THR N N 29 106.682 107.879 -1.197 1 1 384 . 8 1 1 A 31 31 LYS H H 30 7.453 7.521 -0.068 1 1 385 . 8 1 1 A 31 31 LYS HA H 30 4.850 4.864 -0.014 1 1 394 . 8 1 1 A 31 31 LYS C C 30 174.296 174.635 -0.339 1 1 395 . 8 1 1 A 31 31 LYS CA C 30 53.944 54.811 -0.867 1 1 396 . 8 1 1 A 31 31 LYS CB C 30 36.098 37.812 -1.714 1 1 400 . 8 1 1 A 31 31 LYS N N 30 117.809 120.536 -2.727 1 1 401 . 8 1 1 A 32 32 ILE H H 31 9.265 9.503 -0.238 1 1 402 . 8 1 1 A 32 32 ILE HA H 31 4.106 4.148 -0.042 1 1 412 . 8 1 1 A 32 32 ILE CA C 31 54.606 57.468 -2.862 1 1 413 . 8 1 1 A 32 32 ILE CB C 31 38.448 39.097 -0.649 1 1 417 . 8 1 1 A 32 32 ILE N N 31 122.497 122.083 0.414 1 1 418 . 8 1 1 A 33 33 PRO HA H 32 5.252 4.866 0.386 1 1 425 . 8 1 1 A 33 33 PRO C C 32 174.652 176.716 -2.064 1 1 426 . 8 1 1 A 33 33 PRO CA C 32 61.704 62.451 -0.747 1 1 427 . 8 1 1 A 33 33 PRO CB C 32 31.873 31.636 0.237 1 1 430 . 8 1 1 A 34 34 VAL H H 33 9.359 8.149 1.210 1 1 431 . 8 1 1 A 34 34 VAL HA H 33 5.298 5.122 0.176 1 1 439 . 8 1 1 A 34 34 VAL C C 33 173.633 174.593 -0.960 1 1 440 . 8 1 1 A 34 34 VAL CA C 33 59.830 59.468 0.362 1 1 441 . 8 1 1 A 34 34 VAL CB C 33 36.154 36.151 0.003 1 1 444 . 8 1 1 A 34 34 VAL N N 33 124.496 116.591 7.905 1 1 445 . 8 1 1 A 35 35 ILE H H 34 8.667 9.286 -0.619 1 1 446 . 8 1 1 A 35 35 ILE HA H 34 4.867 4.995 -0.128 1 1 456 . 8 1 1 A 35 35 ILE C C 34 175.770 174.865 0.905 1 1 457 . 8 1 1 A 35 35 ILE CA C 34 56.320 60.322 -4.002 1 1 458 . 8 1 1 A 35 35 ILE CB C 34 36.909 39.209 -2.300 1 1 462 . 8 1 1 A 35 35 ILE N N 34 127.447 122.202 5.245 1 1 463 . 8 1 1 A 36 36 ILE H H 35 8.422 9.053 -0.631 1 1 464 . 8 1 1 A 36 36 ILE HA H 35 4.890 5.158 -0.268 1 1 474 . 8 1 1 A 36 36 ILE C C 35 175.098 175.972 -0.874 1 1 475 . 8 1 1 A 36 36 ILE CA C 35 60.806 60.518 0.288 1 1 476 . 8 1 1 A 36 36 ILE CB C 35 39.357 38.600 0.757 1 1 480 . 8 1 1 A 36 36 ILE N N 35 124.267 128.785 -4.518 1 1 481 . 8 1 1 A 37 37 GLU H H 36 8.335 8.795 -0.460 1 1 482 . 8 1 1 A 37 37 GLU HA H 36 4.820 5.064 -0.244 1 1 487 . 8 1 1 A 37 37 GLU C C 36 173.502 175.375 -1.873 1 1 488 . 8 1 1 A 37 37 GLU CA C 36 54.214 54.295 -0.081 1 1 489 . 8 1 1 A 37 37 GLU CB C 36 35.547 33.943 1.604 1 1 491 . 8 1 1 A 37 37 GLU N N 36 123.296 126.227 -2.931 1 1 492 . 8 1 1 A 38 38 ARG H H 37 8.891 8.188 0.703 1 1 493 . 8 1 1 A 38 38 ARG HA H 37 2.755 3.217 -0.462 1 1 501 . 8 1 1 A 38 38 ARG C C 37 176.165 175.358 0.807 1 1 502 . 8 1 1 A 38 38 ARG CA C 37 56.235 55.403 0.832 1 1 503 . 8 1 1 A 38 38 ARG CB C 37 31.328 30.738 0.590 1 1 507 . 8 1 1 A 38 38 ARG N N 37 123.143 121.512 1.631 1 1 509 . 8 1 1 A 39 39 TYR H H 38 8.681 8.138 0.543 1 1 510 . 8 1 1 A 39 39 TYR HA H 38 4.331 4.440 -0.109 1 1 517 . 8 1 1 A 39 39 TYR C C 38 177.064 175.357 1.707 1 1 518 . 8 1 1 A 39 39 TYR CA C 38 57.769 58.961 -1.192 1 1 519 . 8 1 1 A 39 39 TYR CB C 38 39.552 38.906 0.646 1 1 522 . 8 1 1 A 39 39 TYR N N 38 128.699 122.719 5.980 1 1 523 . 8 1 1 A 40 40 LYS H H 39 8.454 7.927 0.527 1 1 524 . 8 1 1 A 40 40 LYS HA H 39 3.841 3.935 -0.094 1 1 533 . 8 1 1 A 40 40 LYS C C 39 176.290 176.707 -0.417 1 1 534 . 8 1 1 A 40 40 LYS CA C 39 58.772 56.688 2.084 1 1 535 . 8 1 1 A 40 40 LYS CB C 39 31.738 31.390 0.348 1 1 539 . 8 1 1 A 40 40 LYS N N 39 130.022 123.337 6.685 1 1 540 . 8 1 1 A 41 41 GLY H H 40 5.457 8.765 -3.308 1 1 541 . 8 1 1 A 41 41 GLY HA2 H 40 3.306 4.041 -0.735 1 1 542 . 8 1 1 A 41 41 GLY HA3 H 40 3.999 4.141 -0.142 1 1 543 . 8 1 1 A 41 41 GLY C C 40 173.426 174.413 -0.987 1 1 544 . 8 1 1 A 41 41 GLY CA C 40 44.673 45.252 -0.579 1 1 545 . 8 1 1 A 41 41 GLY N N 40 104.628 113.165 -8.537 1 1 546 . 8 1 1 A 42 42 GLU H H 41 7.440 8.567 -1.127 1 1 547 . 8 1 1 A 42 42 GLU HA H 41 4.278 4.486 -0.208 1 1 552 . 8 1 1 A 42 42 GLU C C 41 176.306 176.567 -0.261 1 1 553 . 8 1 1 A 42 42 GLU CA C 41 56.358 55.849 0.509 1 1 554 . 8 1 1 A 42 42 GLU CB C 41 31.014 29.639 1.375 1 1 556 . 8 1 1 A 42 42 GLU N N 41 122.648 121.041 1.607 1 1 557 . 8 1 1 A 43 43 LYS H H 42 8.912 8.486 0.426 1 1 558 . 8 1 1 A 43 43 LYS HA H 42 4.680 4.632 0.048 1 1 567 . 8 1 1 A 43 43 LYS C C 42 177.063 178.744 -1.681 1 1 568 . 8 1 1 A 43 43 LYS CA C 42 55.652 56.765 -1.113 1 1 569 . 8 1 1 A 43 43 LYS CB C 42 34.871 34.058 0.813 1 1 573 . 8 1 1 A 43 43 LYS N N 42 123.569 123.160 0.409 1 1 574 . 8 1 1 A 44 44 GLN H H 43 8.446 8.061 0.385 1 1 575 . 8 1 1 A 44 44 GLN HA H 43 4.545 4.082 0.463 1 1 582 . 8 1 1 A 44 44 GLN C C 43 177.152 177.021 0.131 1 1 583 . 8 1 1 A 44 44 GLN CA C 43 57.561 58.594 -1.033 1 1 584 . 8 1 1 A 44 44 GLN CB C 43 30.671 28.870 1.801 1 1 587 . 8 1 1 A 44 44 GLN N N 43 118.990 118.709 0.281 1 1 589 . 8 1 1 A 45 45 LEU H H 44 9.043 8.115 0.928 1 1 590 . 8 1 1 A 45 45 LEU HA H 44 4.716 4.490 0.226 1 1 600 . 8 1 1 A 45 45 LEU CA C 44 53.078 53.889 -0.811 1 1 601 . 8 1 1 A 45 45 LEU CB C 44 43.614 41.465 2.149 1 1 605 . 8 1 1 A 45 45 LEU N N 44 120.375 120.577 -0.202 1 1 606 . 8 1 1 A 46 46 PRO HA H 45 4.723 4.650 0.073 1 1 613 . 8 1 1 A 46 46 PRO C C 45 175.883 176.021 -0.138 1 1 614 . 8 1 1 A 46 46 PRO CA C 45 62.005 62.242 -0.237 1 1 615 . 8 1 1 A 46 46 PRO CB C 45 32.609 32.754 -0.145 1 1 618 . 8 1 1 A 47 47 VAL H H 46 8.437 8.509 -0.072 1 1 619 . 8 1 1 A 47 47 VAL HA H 46 3.914 4.364 -0.450 1 1 627 . 8 1 1 A 47 47 VAL C C 46 175.367 176.160 -0.793 1 1 628 . 8 1 1 A 47 47 VAL CA C 46 62.700 61.825 0.875 1 1 629 . 8 1 1 A 47 47 VAL CB C 46 32.927 31.253 1.674 1 1 632 . 8 1 1 A 47 47 VAL N N 46 118.440 121.199 -2.759 1 1 633 . 8 1 1 A 48 48 LEU H H 47 7.863 8.327 -0.464 1 1 634 . 8 1 1 A 48 48 LEU HA H 47 4.384 4.096 0.288 1 1 644 . 8 1 1 A 48 48 LEU C C 47 176.088 178.130 -2.042 1 1 645 . 8 1 1 A 48 48 LEU CA C 47 54.851 55.952 -1.101 1 1 646 . 8 1 1 A 48 48 LEU CB C 47 43.841 44.129 -0.288 1 1 650 . 8 1 1 A 48 48 LEU N N 47 129.127 129.732 -0.605 1 1 651 . 8 1 1 A 49 49 ASP H H 48 8.699 8.619 0.080 1 1 652 . 8 1 1 A 49 49 ASP HA H 48 4.293 4.313 -0.020 1 1 655 . 8 1 1 A 49 49 ASP C C 48 175.121 176.234 -1.113 1 1 656 . 8 1 1 A 49 49 ASP CA C 48 55.717 57.283 -1.566 1 1 657 . 8 1 1 A 49 49 ASP CB C 48 40.260 40.796 -0.536 1 1 658 . 8 1 1 A 49 49 ASP N N 48 121.389 124.754 -3.365 1 1 659 . 8 1 1 A 50 50 LYS H H 49 7.251 7.520 -0.269 1 1 660 . 8 1 1 A 50 50 LYS HA H 49 4.540 4.459 0.081 1 1 669 . 8 1 1 A 50 50 LYS C C 49 174.664 175.327 -0.663 1 1 670 . 8 1 1 A 50 50 LYS CA C 49 53.211 55.215 -2.004 1 1 671 . 8 1 1 A 50 50 LYS CB C 49 35.514 32.807 2.707 1 1 675 . 8 1 1 A 50 50 LYS N N 49 118.260 114.235 4.025 1 1 676 . 8 1 1 A 51 51 THR H H 50 8.162 8.109 0.053 1 1 677 . 8 1 1 A 51 51 THR HA H 50 4.685 5.022 -0.337 1 1 682 . 8 1 1 A 51 51 THR C C 50 171.631 174.541 -2.910 1 1 683 . 8 1 1 A 51 51 THR CA C 50 63.581 62.946 0.635 1 1 684 . 8 1 1 A 51 51 THR CB C 50 71.587 70.293 1.294 1 1 686 . 8 1 1 A 51 51 THR N N 50 112.535 112.264 0.271 1 1 687 . 8 1 1 A 52 52 LYS H H 51 6.971 7.442 -0.471 1 1 688 . 8 1 1 A 52 52 LYS HA H 51 4.443 4.739 -0.296 1 1 697 . 8 1 1 A 52 52 LYS C C 51 175.417 175.654 -0.237 1 1 698 . 8 1 1 A 52 52 LYS CA C 51 55.209 55.103 0.106 1 1 699 . 8 1 1 A 52 52 LYS CB C 51 33.309 33.886 -0.577 1 1 703 . 8 1 1 A 52 52 LYS N N 51 120.227 119.563 0.664 1 1 704 . 8 1 1 A 53 53 PHE H H 52 9.688 8.873 0.815 1 1 705 . 8 1 1 A 53 53 PHE HA H 52 5.675 5.022 0.653 1 1 712 . 8 1 1 A 53 53 PHE C C 52 174.348 174.713 -0.365 1 1 713 . 8 1 1 A 53 53 PHE CA C 52 56.625 56.610 0.015 1 1 714 . 8 1 1 A 53 53 PHE CB C 52 43.109 42.992 0.117 1 1 716 . 8 1 1 A 53 53 PHE N N 52 124.646 121.802 2.844 1 1 717 . 8 1 1 A 54 54 LEU H H 53 8.470 8.999 -0.529 1 1 718 . 8 1 1 A 54 54 LEU HA H 53 5.044 4.926 0.118 1 1 728 . 8 1 1 A 54 54 LEU C C 53 176.144 175.854 0.290 1 1 729 . 8 1 1 A 54 54 LEU CA C 53 52.954 53.566 -0.612 1 1 730 . 8 1 1 A 54 54 LEU CB C 53 45.081 42.105 2.976 1 1 734 . 8 1 1 A 54 54 LEU N N 53 119.430 124.242 -4.812 1 1 735 . 8 1 1 A 55 55 VAL H H 54 8.802 8.545 0.257 1 1 736 . 8 1 1 A 55 55 VAL HA H 54 4.640 4.545 0.095 1 1 744 . 8 1 1 A 55 55 VAL CA C 54 58.549 59.142 -0.593 1 1 745 . 8 1 1 A 55 55 VAL CB C 54 35.342 32.082 3.260 1 1 748 . 8 1 1 A 55 55 VAL N N 54 123.841 126.029 -2.188 1 1 749 . 8 1 1 A 56 56 PRO HA H 55 4.439 4.783 -0.344 1 1 756 . 8 1 1 A 56 56 PRO C C 55 176.666 177.221 -0.555 1 1 757 . 8 1 1 A 56 56 PRO CA C 55 64.256 62.477 1.779 1 1 758 . 8 1 1 A 56 56 PRO CB C 55 32.783 31.759 1.024 1 1 761 . 8 1 1 A 57 57 ASP H H 56 8.412 8.965 -0.553 1 1 762 . 8 1 1 A 57 57 ASP HA H 56 3.848 4.488 -0.640 1 1 765 . 8 1 1 A 57 57 ASP C C 56 175.417 176.731 -1.314 1 1 766 . 8 1 1 A 57 57 ASP CA C 56 56.616 55.293 1.323 1 1 767 . 8 1 1 A 57 57 ASP CB C 56 40.410 40.703 -0.293 1 1 768 . 8 1 1 A 57 57 ASP N N 56 120.415 125.173 -4.758 1 1 769 . 8 1 1 A 58 58 HIS H H 57 7.373 7.737 -0.364 1 1 770 . 8 1 1 A 58 58 HIS HA H 57 4.770 4.622 0.148 1 1 775 . 8 1 1 A 58 58 HIS C C 57 176.594 174.499 2.095 1 1 776 . 8 1 1 A 58 58 HIS CA C 57 55.584 55.882 -0.298 1 1 777 . 8 1 1 A 58 58 HIS CB C 57 30.628 30.516 0.112 1 1 780 . 8 1 1 A 58 58 HIS N N 57 113.439 112.490 0.949 1 1 781 . 8 1 1 A 59 59 VAL H H 58 7.249 6.784 0.465 1 1 782 . 8 1 1 A 59 59 VAL HA H 58 3.903 4.563 -0.660 1 1 790 . 8 1 1 A 59 59 VAL C C 58 175.014 174.984 0.030 1 1 791 . 8 1 1 A 59 59 VAL CA C 58 62.726 59.571 3.155 1 1 792 . 8 1 1 A 59 59 VAL CB C 58 32.190 34.541 -2.351 1 1 795 . 8 1 1 A 59 59 VAL N N 58 122.597 115.344 7.253 1 1 796 . 8 1 1 A 60 60 ASN H H 59 8.677 8.621 0.056 1 1 797 . 8 1 1 A 60 60 ASN HA H 59 5.187 5.094 0.093 1 1 802 . 8 1 1 A 60 60 ASN C C 59 176.477 176.575 -0.098 1 1 803 . 8 1 1 A 60 60 ASN CA C 59 51.181 51.650 -0.469 1 1 804 . 8 1 1 A 60 60 ASN CB C 59 39.947 40.855 -0.908 1 1 806 . 8 1 1 A 60 60 ASN N N 59 122.962 118.585 4.377 1 1 808 . 8 1 1 A 61 61 MET H H 60 8.038 8.369 -0.331 1 1 809 . 8 1 1 A 61 61 MET HA H 60 4.426 4.243 0.183 1 1 817 . 8 1 1 A 61 61 MET C C 60 177.996 178.573 -0.577 1 1 818 . 8 1 1 A 61 61 MET CA C 60 57.118 58.041 -0.923 1 1 819 . 8 1 1 A 61 61 MET CB C 60 29.998 32.297 -2.299 1 1 822 . 8 1 1 A 61 61 MET N N 60 116.814 121.134 -4.320 1 1 823 . 8 1 1 A 62 62 SER H H 61 8.401 8.179 0.222 1 1 824 . 8 1 1 A 62 62 SER HA H 61 4.132 4.121 0.011 1 1 827 . 8 1 1 A 62 62 SER C C 61 177.255 177.195 0.060 1 1 828 . 8 1 1 A 62 62 SER CA C 61 61.559 61.417 0.142 1 1 829 . 8 1 1 A 62 62 SER CB C 61 62.430 63.076 -0.646 1 1 830 . 8 1 1 A 62 62 SER N N 61 114.109 115.281 -1.172 1 1 831 . 8 1 1 A 63 63 GLU H H 62 8.014 8.164 -0.150 1 1 832 . 8 1 1 A 63 63 GLU HA H 62 4.016 3.971 0.045 1 1 837 . 8 1 1 A 63 63 GLU C C 62 178.327 178.754 -0.427 1 1 838 . 8 1 1 A 63 63 GLU CA C 62 58.787 59.351 -0.564 1 1 839 . 8 1 1 A 63 63 GLU CB C 62 29.814 29.323 0.491 1 1 841 . 8 1 1 A 63 63 GLU N N 62 122.806 121.056 1.750 1 1 842 . 8 1 1 A 64 64 LEU H H 63 8.254 7.664 0.590 1 1 843 . 8 1 1 A 64 64 LEU HA H 63 3.932 3.976 -0.044 1 1 853 . 8 1 1 A 64 64 LEU C C 63 178.029 178.434 -0.405 1 1 854 . 8 1 1 A 64 64 LEU CA C 63 57.986 58.166 -0.180 1 1 855 . 8 1 1 A 64 64 LEU CB C 63 41.377 41.799 -0.422 1 1 859 . 8 1 1 A 64 64 LEU N N 63 120.526 121.906 -1.380 1 1 860 . 8 1 1 A 65 65 ILE H H 64 8.415 8.521 -0.106 1 1 861 . 8 1 1 A 65 65 ILE HA H 64 3.377 3.693 -0.316 1 1 871 . 8 1 1 A 65 65 ILE C C 64 177.078 177.674 -0.596 1 1 872 . 8 1 1 A 65 65 ILE CA C 64 66.699 65.654 1.045 1 1 873 . 8 1 1 A 65 65 ILE CB C 64 38.128 38.102 0.026 1 1 877 . 8 1 1 A 65 65 ILE N N 64 118.349 119.624 -1.275 1 1 878 . 8 1 1 A 66 66 LYS H H 65 7.366 7.762 -0.396 1 1 879 . 8 1 1 A 66 66 LYS HA H 65 3.696 4.089 -0.393 1 1 888 . 8 1 1 A 66 66 LYS C C 65 179.260 179.247 0.013 1 1 889 . 8 1 1 A 66 66 LYS CA C 65 60.593 59.757 0.836 1 1 890 . 8 1 1 A 66 66 LYS CB C 65 32.421 32.655 -0.234 1 1 894 . 8 1 1 A 66 66 LYS N N 65 118.334 119.243 -0.909 1 1 895 . 8 1 1 A 67 67 ILE H H 66 8.179 8.354 -0.175 1 1 896 . 8 1 1 A 67 67 ILE HA H 66 3.546 3.690 -0.144 1 1 906 . 8 1 1 A 67 67 ILE C C 66 178.784 178.848 -0.064 1 1 907 . 8 1 1 A 67 67 ILE CA C 66 65.488 64.780 0.708 1 1 908 . 8 1 1 A 67 67 ILE CB C 66 38.593 37.030 1.563 1 1 912 . 8 1 1 A 67 67 ILE N N 66 119.791 120.362 -0.571 1 1 913 . 8 1 1 A 68 68 ILE H H 67 8.279 8.259 0.020 1 1 914 . 8 1 1 A 68 68 ILE HA H 67 3.391 3.427 -0.036 1 1 924 . 8 1 1 A 68 68 ILE C C 67 177.403 177.622 -0.219 1 1 925 . 8 1 1 A 68 68 ILE CA C 67 63.144 64.670 -1.526 1 1 926 . 8 1 1 A 68 68 ILE CB C 67 35.269 37.553 -2.284 1 1 930 . 8 1 1 A 68 68 ILE N N 67 120.267 122.098 -1.831 1 1 931 . 8 1 1 A 69 69 ARG H H 68 8.454 8.233 0.221 1 1 932 . 8 1 1 A 69 69 ARG HA H 68 2.966 3.275 -0.309 1 1 939 . 8 1 1 A 69 69 ARG C C 68 178.385 177.904 0.481 1 1 940 . 8 1 1 A 69 69 ARG CA C 68 60.642 58.391 2.251 1 1 941 . 8 1 1 A 69 69 ARG CB C 68 30.442 30.034 0.408 1 1 944 . 8 1 1 A 69 69 ARG N N 68 118.881 120.121 -1.240 1 1 945 . 8 1 1 A 70 70 ARG H H 69 7.492 7.850 -0.358 1 1 946 . 8 1 1 A 70 70 ARG HA H 69 4.164 4.039 0.125 1 1 954 . 8 1 1 A 70 70 ARG C C 69 180.253 178.739 1.514 1 1 955 . 8 1 1 A 70 70 ARG CA C 69 58.510 59.392 -0.882 1 1 956 . 8 1 1 A 70 70 ARG CB C 69 29.587 29.919 -0.332 1 1 960 . 8 1 1 A 70 70 ARG N N 69 116.411 119.566 -3.155 1 1 962 . 8 1 1 A 71 71 ARG H H 70 8.086 8.034 0.052 1 1 963 . 8 1 1 A 71 71 ARG HA H 70 4.025 4.054 -0.029 1 1 970 . 8 1 1 A 71 71 ARG C C 70 178.558 178.609 -0.051 1 1 971 . 8 1 1 A 71 71 ARG CA C 70 59.428 58.804 0.624 1 1 972 . 8 1 1 A 71 71 ARG CB C 70 30.235 29.840 0.395 1 1 975 . 8 1 1 A 71 71 ARG N N 70 122.779 119.573 3.206 1 1 976 . 8 1 1 A 72 72 LEU H H 71 7.755 7.576 0.179 1 1 977 . 8 1 1 A 72 72 LEU HA H 71 4.081 4.082 -0.001 1 1 987 . 8 1 1 A 72 72 LEU C C 71 174.852 176.454 -1.602 1 1 988 . 8 1 1 A 72 72 LEU CA C 71 55.060 55.193 -0.133 1 1 989 . 8 1 1 A 72 72 LEU CB C 71 43.109 41.613 1.496 1 1 993 . 8 1 1 A 72 72 LEU N N 71 116.551 117.998 -1.447 1 1 994 . 8 1 1 A 73 73 GLN H H 72 7.740 7.863 -0.123 1 1 995 . 8 1 1 A 73 73 GLN HA H 72 3.853 3.940 -0.087 1 1 1002 . 8 1 1 A 73 73 GLN C C 72 175.619 174.868 0.751 1 1 1003 . 8 1 1 A 73 73 GLN CA C 72 56.273 56.532 -0.259 1 1 1004 . 8 1 1 A 73 73 GLN CB C 72 25.939 26.413 -0.474 1 1 1007 . 8 1 1 A 73 73 GLN N N 72 114.737 117.833 -3.096 1 1 1009 . 8 1 1 A 74 74 LEU H H 73 7.525 7.394 0.131 1 1 1010 . 8 1 1 A 74 74 LEU HA H 73 4.242 4.428 -0.186 1 1 1020 . 8 1 1 A 74 74 LEU C C 73 178.611 175.864 2.747 1 1 1021 . 8 1 1 A 74 74 LEU CA C 73 54.382 54.296 0.086 1 1 1022 . 8 1 1 A 74 74 LEU CB C 73 41.995 42.093 -0.098 1 1 1026 . 8 1 1 A 74 74 LEU N N 73 114.861 120.470 -5.609 1 1 1027 . 8 1 1 A 75 75 ASN H H 74 8.970 8.638 0.332 1 1 1028 . 8 1 1 A 75 75 ASN HA H 74 4.694 5.037 -0.343 1 1 1033 . 8 1 1 A 75 75 ASN C C 74 176.527 176.147 0.380 1 1 1034 . 8 1 1 A 75 75 ASN CA C 74 52.686 51.492 1.194 1 1 1035 . 8 1 1 A 75 75 ASN CB C 74 39.583 41.266 -1.683 1 1 1037 . 8 1 1 A 75 75 ASN N N 74 121.274 116.958 4.316 1 1 1039 . 8 1 1 A 76 76 ALA H H 75 8.697 8.754 -0.057 1 1 1040 . 8 1 1 A 76 76 ALA HA H 75 3.966 4.037 -0.071 1 1 1044 . 8 1 1 A 76 76 ALA C C 75 178.002 179.264 -1.262 1 1 1045 . 8 1 1 A 76 76 ALA CA C 75 54.797 54.697 0.100 1 1 1046 . 8 1 1 A 76 76 ALA CB C 75 18.669 18.325 0.344 1 1 1047 . 8 1 1 A 76 76 ALA N N 75 123.590 121.885 1.705 1 1 1048 . 8 1 1 A 77 77 ASN H H 76 8.344 8.350 -0.006 1 1 1049 . 8 1 1 A 77 77 ASN HA H 76 4.585 4.566 0.019 1 1 1054 . 8 1 1 A 77 77 ASN C C 76 175.371 175.056 0.315 1 1 1055 . 8 1 1 A 77 77 ASN CA C 76 53.183 55.017 -1.834 1 1 1056 . 8 1 1 A 77 77 ASN CB C 76 38.277 37.507 0.770 1 1 1058 . 8 1 1 A 77 77 ASN N N 76 112.004 112.724 -0.720 1 1 1060 . 8 1 1 A 78 78 GLN H H 77 7.532 7.535 -0.003 1 1 1061 . 8 1 1 A 78 78 GLN HA H 77 4.281 4.666 -0.385 1 1 1068 . 8 1 1 A 78 78 GLN C C 77 175.001 174.725 0.276 1 1 1069 . 8 1 1 A 78 78 GLN CA C 77 55.875 55.014 0.861 1 1 1070 . 8 1 1 A 78 78 GLN CB C 77 30.227 30.090 0.137 1 1 1073 . 8 1 1 A 78 78 GLN N N 77 120.237 119.841 0.396 1 1 1075 . 8 1 1 A 79 79 ALA H H 78 8.732 8.717 0.015 1 1 1076 . 8 1 1 A 79 79 ALA HA H 78 4.183 4.938 -0.755 1 1 1080 . 8 1 1 A 79 79 ALA C C 78 176.367 176.321 0.046 1 1 1081 . 8 1 1 A 79 79 ALA CA C 78 52.798 51.403 1.395 1 1 1082 . 8 1 1 A 79 79 ALA CB C 78 20.051 20.785 -0.734 1 1 1083 . 8 1 1 A 79 79 ALA N N 78 130.399 129.317 1.082 1 1 1084 . 8 1 1 A 80 80 PHE H H 79 7.603 8.439 -0.836 1 1 1085 . 8 1 1 A 80 80 PHE HA H 79 4.449 5.171 -0.722 1 1 1093 . 8 1 1 A 80 80 PHE C C 79 171.709 173.046 -1.337 1 1 1094 . 8 1 1 A 80 80 PHE CA C 79 59.101 56.955 2.146 1 1 1095 . 8 1 1 A 80 80 PHE CB C 79 42.282 42.530 -0.248 1 1 1099 . 8 1 1 A 80 80 PHE N N 79 118.988 122.761 -3.773 1 1 1100 . 8 1 1 A 81 81 PHE H H 80 8.507 9.113 -0.606 1 1 1101 . 8 1 1 A 81 81 PHE HA H 80 4.421 4.429 -0.008 1 1 1109 . 8 1 1 A 81 81 PHE C C 80 172.644 173.804 -1.160 1 1 1110 . 8 1 1 A 81 81 PHE CA C 80 56.711 55.964 0.747 1 1 1111 . 8 1 1 A 81 81 PHE CB C 80 41.880 42.447 -0.567 1 1 1115 . 8 1 1 A 81 81 PHE N N 80 126.042 125.187 0.855 1 1 1116 . 8 1 1 A 82 82 LEU H H 81 8.199 8.550 -0.351 1 1 1117 . 8 1 1 A 82 82 LEU HA H 81 4.883 4.890 -0.007 1 1 1127 . 8 1 1 A 82 82 LEU C C 81 174.440 174.748 -0.308 1 1 1128 . 8 1 1 A 82 82 LEU CA C 81 53.153 54.226 -1.073 1 1 1129 . 8 1 1 A 82 82 LEU CB C 81 45.520 43.084 2.436 1 1 1133 . 8 1 1 A 82 82 LEU N N 81 121.512 125.764 -4.252 1 1 1134 . 8 1 1 A 83 83 LEU H H 82 9.349 10.009 -0.660 1 1 1135 . 8 1 1 A 83 83 LEU HA H 82 4.810 4.823 -0.013 1 1 1145 . 8 1 1 A 83 83 LEU C C 82 177.075 175.765 1.310 1 1 1146 . 8 1 1 A 83 83 LEU CA C 82 54.122 53.858 0.264 1 1 1147 . 8 1 1 A 83 83 LEU CB C 82 43.394 41.598 1.796 1 1 1151 . 8 1 1 A 83 83 LEU N N 82 125.253 129.331 -4.078 1 1 1152 . 8 1 1 A 84 84 VAL H H 83 8.681 9.022 -0.341 1 1 1153 . 8 1 1 A 84 84 VAL HA H 83 4.411 3.884 0.527 1 1 1161 . 8 1 1 A 84 84 VAL C C 83 175.797 176.067 -0.270 1 1 1162 . 8 1 1 A 84 84 VAL CA C 83 61.630 62.573 -0.943 1 1 1163 . 8 1 1 A 84 84 VAL CB C 83 33.647 31.115 2.532 1 1 1166 . 8 1 1 A 84 84 VAL N N 83 123.543 125.876 -2.333 1 1 1167 . 8 1 1 A 85 85 ASN H H 84 9.622 9.020 0.602 1 1 1168 . 8 1 1 A 85 85 ASN HA H 84 4.399 4.598 -0.199 1 1 1173 . 8 1 1 A 85 85 ASN C C 84 175.042 175.174 -0.132 1 1 1174 . 8 1 1 A 85 85 ASN CA C 84 54.610 54.249 0.361 1 1 1175 . 8 1 1 A 85 85 ASN CB C 84 37.927 36.951 0.976 1 1 1177 . 8 1 1 A 85 85 ASN N N 84 125.848 127.105 -1.257 1 1 1179 . 8 1 1 A 86 86 GLY H H 85 8.551 8.345 0.206 1 1 1180 . 8 1 1 A 86 86 GLY HA2 H 85 3.368 3.912 -0.544 1 1 1181 . 8 1 1 A 86 86 GLY HA3 H 85 4.064 3.949 0.115 1 1 1182 . 8 1 1 A 86 86 GLY C C 85 173.524 173.779 -0.255 1 1 1183 . 8 1 1 A 86 86 GLY CA C 85 45.588 45.392 0.196 1 1 1184 . 8 1 1 A 86 86 GLY N N 85 101.093 105.040 -3.947 1 1 1185 . 8 1 1 A 87 87 HIS H H 86 7.906 7.478 0.428 1 1 1186 . 8 1 1 A 87 87 HIS HA H 86 5.003 5.317 -0.314 1 1 1191 . 8 1 1 A 87 87 HIS C C 86 173.910 174.384 -0.474 1 1 1192 . 8 1 1 A 87 87 HIS CA C 86 54.213 53.779 0.434 1 1 1193 . 8 1 1 A 87 87 HIS CB C 86 31.482 33.165 -1.683 1 1 1196 . 8 1 1 A 87 87 HIS N N 86 117.253 115.130 2.123 1 1 1197 . 8 1 1 A 88 88 SER H H 87 8.846 9.025 -0.179 1 1 1198 . 8 1 1 A 88 88 SER HA H 87 4.702 4.470 0.232 1 1 1201 . 8 1 1 A 88 88 SER C C 87 175.739 175.161 0.578 1 1 1202 . 8 1 1 A 88 88 SER CA C 87 58.245 58.224 0.021 1 1 1203 . 8 1 1 A 88 88 SER CB C 87 63.764 64.964 -1.200 1 1 1204 . 8 1 1 A 88 88 SER N N 87 117.469 115.065 2.404 1 1 1205 . 8 1 1 A 89 89 MET H H 88 9.174 8.472 0.702 1 1 1206 . 8 1 1 A 89 89 MET HA H 88 4.820 4.973 -0.153 1 1 1214 . 8 1 1 A 89 89 MET C C 88 176.294 177.144 -0.850 1 1 1215 . 8 1 1 A 89 89 MET CA C 88 54.853 53.978 0.875 1 1 1216 . 8 1 1 A 89 89 MET CB C 88 33.183 32.349 0.834 1 1 1219 . 8 1 1 A 89 89 MET N N 88 125.111 118.152 6.959 1 1 1220 . 8 1 1 A 90 90 VAL H H 89 8.217 7.469 0.748 1 1 1221 . 8 1 1 A 90 90 VAL HA H 89 4.063 3.849 0.214 1 1 1229 . 8 1 1 A 90 90 VAL C C 89 176.249 176.652 -0.403 1 1 1230 . 8 1 1 A 90 90 VAL CA C 89 63.377 65.649 -2.272 1 1 1231 . 8 1 1 A 90 90 VAL CB C 89 32.473 32.013 0.460 1 1 1234 . 8 1 1 A 90 90 VAL N N 89 120.477 121.241 -0.764 1 1 1235 . 8 1 1 A 91 91 SER H H 90 8.356 7.782 0.574 1 1 1236 . 8 1 1 A 91 91 SER HA H 90 4.614 4.664 -0.050 1 1 1239 . 8 1 1 A 91 91 SER C C 90 175.841 174.164 1.677 1 1 1240 . 8 1 1 A 91 91 SER CA C 90 57.860 57.183 0.677 1 1 1241 . 8 1 1 A 91 91 SER CB C 90 63.398 63.538 -0.140 1 1 1242 . 8 1 1 A 91 91 SER N N 90 116.676 114.643 2.033 1 1 1243 . 8 1 1 A 92 92 VAL H H 91 8.158 7.769 0.389 1 1 1244 . 8 1 1 A 92 92 VAL HA H 91 4.245 3.990 0.255 1 1 1252 . 8 1 1 A 92 92 VAL C C 91 175.856 175.938 -0.082 1 1 1253 . 8 1 1 A 92 92 VAL CA C 91 63.121 63.306 -0.185 1 1 1254 . 8 1 1 A 92 92 VAL CB C 91 31.872 31.726 0.146 1 1 1257 . 8 1 1 A 92 92 VAL N N 91 119.994 122.405 -2.411 1 1 1258 . 8 1 1 A 93 93 SER H H 92 8.368 8.745 -0.377 1 1 1259 . 8 1 1 A 93 93 SER HA H 92 4.581 4.790 -0.209 1 1 1262 . 8 1 1 A 93 93 SER C C 92 174.154 173.866 0.288 1 1 1263 . 8 1 1 A 93 93 SER CA C 92 57.706 57.073 0.633 1 1 1264 . 8 1 1 A 93 93 SER CB C 92 63.126 64.691 -1.565 1 1 1265 . 8 1 1 A 93 93 SER N N 92 116.504 122.688 -6.184 1 1 1266 . 8 1 1 A 94 94 THR H H 93 7.427 7.678 -0.251 1 1 1267 . 8 1 1 A 94 94 THR HA H 93 4.464 4.700 -0.236 1 1 1272 . 8 1 1 A 94 94 THR CA C 93 61.032 59.155 1.877 1 1 1273 . 8 1 1 A 94 94 THR CB C 93 70.505 71.448 -0.943 1 1 1275 . 8 1 1 A 94 94 THR N N 93 119.172 116.994 2.178 1 1 1276 . 8 1 1 A 95 95 PRO HA H 94 4.426 4.691 -0.265 1 1 1283 . 8 1 1 A 95 95 PRO C C 94 178.692 178.000 0.692 1 1 1284 . 8 1 1 A 95 95 PRO CA C 94 62.921 62.688 0.233 1 1 1285 . 8 1 1 A 95 95 PRO CB C 94 32.774 32.419 0.355 1 1 1288 . 8 1 1 A 96 96 ILE H H 95 9.324 8.983 0.341 1 1 1289 . 8 1 1 A 96 96 ILE HA H 95 3.956 3.987 -0.031 1 1 1299 . 8 1 1 A 96 96 ILE C C 95 176.415 176.933 -0.518 1 1 1300 . 8 1 1 A 96 96 ILE CA C 95 63.880 63.502 0.378 1 1 1301 . 8 1 1 A 96 96 ILE CB C 95 38.055 37.933 0.122 1 1 1305 . 8 1 1 A 96 96 ILE N N 95 123.862 125.532 -1.670 1 1 1306 . 8 1 1 A 97 97 SER H H 96 8.211 8.336 -0.125 1 1 1307 . 8 1 1 A 97 97 SER HA H 96 3.978 4.102 -0.124 1 1 1310 . 8 1 1 A 97 97 SER C C 96 176.494 177.322 -0.828 1 1 1311 . 8 1 1 A 97 97 SER CA C 96 61.576 61.452 0.124 1 1 1312 . 8 1 1 A 97 97 SER CB C 96 61.262 62.339 -1.077 1 1 1313 . 8 1 1 A 97 97 SER N N 96 116.529 117.454 -0.925 1 1 1314 . 8 1 1 A 98 98 GLU H H 97 7.329 8.023 -0.694 1 1 1315 . 8 1 1 A 98 98 GLU HA H 97 4.290 4.240 0.050 1 1 1320 . 8 1 1 A 98 98 GLU C C 97 179.288 178.856 0.432 1 1 1321 . 8 1 1 A 98 98 GLU CA C 97 58.705 59.238 -0.533 1 1 1322 . 8 1 1 A 98 98 GLU CB C 97 29.791 30.164 -0.373 1 1 1324 . 8 1 1 A 98 98 GLU N N 97 122.955 122.777 0.178 1 1 1325 . 8 1 1 A 99 99 VAL H H 98 7.386 8.451 -1.065 1 1 1326 . 8 1 1 A 99 99 VAL HA H 98 3.815 3.801 0.014 1 1 1334 . 8 1 1 A 99 99 VAL C C 98 177.662 178.424 -0.762 1 1 1335 . 8 1 1 A 99 99 VAL CA C 98 65.774 65.934 -0.160 1 1 1336 . 8 1 1 A 99 99 VAL CB C 98 32.047 31.716 0.331 1 1 1339 . 8 1 1 A 99 99 VAL N N 98 120.888 120.840 0.048 1 1 1340 . 8 1 1 A 100 100 TYR H H 99 8.984 7.807 1.177 1 1 1341 . 8 1 1 A 100 100 TYR HA H 99 4.013 4.151 -0.138 1 1 1348 . 8 1 1 A 100 100 TYR C C 99 176.355 178.274 -1.919 1 1 1349 . 8 1 1 A 100 100 TYR CA C 99 62.118 61.562 0.556 1 1 1350 . 8 1 1 A 100 100 TYR CB C 99 38.921 39.033 -0.112 1 1 1353 . 8 1 1 A 100 100 TYR N N 99 118.874 121.116 -2.242 1 1 1354 . 8 1 1 A 101 101 GLU H H 100 7.433 8.423 -0.990 1 1 1355 . 8 1 1 A 101 101 GLU HA H 100 3.833 4.087 -0.254 1 1 1360 . 8 1 1 A 101 101 GLU C C 100 177.674 176.885 0.789 1 1 1361 . 8 1 1 A 101 101 GLU CA C 100 58.895 58.088 0.807 1 1 1362 . 8 1 1 A 101 101 GLU CB C 100 29.577 28.496 1.081 1 1 1364 . 8 1 1 A 101 101 GLU N N 100 114.383 118.238 -3.855 1 1 1365 . 8 1 1 A 102 102 SER H H 101 7.423 8.354 -0.931 1 1 1366 . 8 1 1 A 102 102 SER HA H 101 4.552 4.546 0.006 1 1 1369 . 8 1 1 A 102 102 SER C C 101 176.554 174.723 1.831 1 1 1370 . 8 1 1 A 102 102 SER CA C 101 60.200 58.990 1.210 1 1 1371 . 8 1 1 A 102 102 SER CB C 101 64.828 64.275 0.553 1 1 1372 . 8 1 1 A 102 102 SER N N 101 108.722 115.115 -6.393 1 1 1373 . 8 1 1 A 103 103 GLU H H 102 8.488 8.068 0.420 1 1 1374 . 8 1 1 A 103 103 GLU HA H 102 4.752 4.507 0.245 1 1 1379 . 8 1 1 A 103 103 GLU C C 102 176.653 176.404 0.249 1 1 1380 . 8 1 1 A 103 103 GLU CA C 102 55.464 57.379 -1.915 1 1 1381 . 8 1 1 A 103 103 GLU CB C 102 30.611 31.724 -1.113 1 1 1383 . 8 1 1 A 103 103 GLU N N 102 116.116 118.414 -2.298 1 1 1384 . 8 1 1 A 104 104 ARG H H 103 7.511 7.685 -0.174 1 1 1385 . 8 1 1 A 104 104 ARG HA H 103 4.241 4.223 0.018 1 1 1392 . 8 1 1 A 104 104 ARG C C 103 174.634 175.494 -0.860 1 1 1393 . 8 1 1 A 104 104 ARG CA C 103 56.926 56.193 0.733 1 1 1394 . 8 1 1 A 104 104 ARG CB C 103 29.713 29.959 -0.246 1 1 1397 . 8 1 1 A 104 104 ARG N N 103 117.180 118.523 -1.343 1 1 1398 . 8 1 1 A 105 105 ASP H H 104 9.069 9.052 0.017 1 1 1399 . 8 1 1 A 105 105 ASP HA H 104 4.774 4.968 -0.194 1 1 1402 . 8 1 1 A 105 105 ASP C C 104 177.460 177.904 -0.444 1 1 1403 . 8 1 1 A 105 105 ASP CA C 104 53.852 53.345 0.507 1 1 1404 . 8 1 1 A 105 105 ASP CB C 104 43.424 41.890 1.534 1 1 1405 . 8 1 1 A 105 105 ASP N N 104 123.349 122.378 0.971 1 1 1406 . 8 1 1 A 106 106 GLU H H 105 8.982 8.980 0.002 1 1 1407 . 8 1 1 A 106 106 GLU HA H 105 4.199 4.001 0.198 1 1 1412 . 8 1 1 A 106 106 GLU C C 105 177.398 177.961 -0.563 1 1 1413 . 8 1 1 A 106 106 GLU CA C 105 59.413 59.613 -0.200 1 1 1414 . 8 1 1 A 106 106 GLU CB C 105 29.983 29.417 0.566 1 1 1416 . 8 1 1 A 106 106 GLU N N 105 125.197 121.444 3.753 1 1 1417 . 8 1 1 A 107 107 ASP H H 106 9.873 7.943 1.930 1 1 1418 . 8 1 1 A 107 107 ASP HA H 106 4.211 4.048 0.163 1 1 1421 . 8 1 1 A 107 107 ASP C C 106 175.775 176.792 -1.017 1 1 1422 . 8 1 1 A 107 107 ASP CA C 106 54.698 54.828 -0.130 1 1 1423 . 8 1 1 A 107 107 ASP CB C 106 40.187 41.183 -0.996 1 1 1424 . 8 1 1 A 107 107 ASP N N 106 118.717 116.701 2.016 1 1 1425 . 8 1 1 A 108 108 GLY H H 107 7.971 8.802 -0.831 1 1 1426 . 8 1 1 A 108 108 GLY HA2 H 107 3.431 3.901 -0.470 1 1 1427 . 8 1 1 A 108 108 GLY HA3 H 107 4.526 3.919 0.607 1 1 1428 . 8 1 1 A 108 108 GLY C C 107 175.138 173.911 1.227 1 1 1429 . 8 1 1 A 108 108 GLY CA C 107 45.029 46.004 -0.975 1 1 1430 . 8 1 1 A 108 108 GLY N N 107 105.017 108.745 -3.728 1 1 1431 . 8 1 1 A 109 109 PHE H H 108 9.799 7.732 2.067 1 1 1432 . 8 1 1 A 109 109 PHE HA H 108 4.607 4.853 -0.246 1 1 1440 . 8 1 1 A 109 109 PHE C C 108 175.171 174.199 0.972 1 1 1441 . 8 1 1 A 109 109 PHE CA C 108 60.222 57.276 2.946 1 1 1442 . 8 1 1 A 109 109 PHE CB C 108 40.433 42.595 -2.162 1 1 1446 . 8 1 1 A 109 109 PHE N N 108 123.309 118.614 4.695 1 1 1447 . 8 1 1 A 110 110 LEU H H 109 8.061 8.716 -0.655 1 1 1448 . 8 1 1 A 110 110 LEU HA H 109 5.022 4.288 0.734 1 1 1458 . 8 1 1 A 110 110 LEU C C 109 174.033 175.467 -1.434 1 1 1459 . 8 1 1 A 110 110 LEU CA C 109 53.539 54.709 -1.170 1 1 1460 . 8 1 1 A 110 110 LEU CB C 109 45.284 42.546 2.738 1 1 1464 . 8 1 1 A 110 110 LEU N N 109 119.999 125.995 -5.996 1 1 1465 . 8 1 1 A 111 111 TYR H H 110 9.363 9.126 0.237 1 1 1466 . 8 1 1 A 111 111 TYR HA H 110 4.906 4.990 -0.084 1 1 1473 . 8 1 1 A 111 111 TYR C C 110 176.538 174.592 1.946 1 1 1474 . 8 1 1 A 111 111 TYR CA C 110 59.335 56.524 2.811 1 1 1475 . 8 1 1 A 111 111 TYR CB C 110 39.485 40.440 -0.955 1 1 1478 . 8 1 1 A 111 111 TYR N N 110 126.322 121.147 5.175 1 1 1479 . 8 1 1 A 112 112 MET H H 111 9.496 8.877 0.619 1 1 1480 . 8 1 1 A 112 112 MET HA H 111 5.522 5.279 0.243 1 1 1488 . 8 1 1 A 112 112 MET C C 111 175.676 174.220 1.456 1 1 1489 . 8 1 1 A 112 112 MET CA C 111 54.216 54.540 -0.324 1 1 1490 . 8 1 1 A 112 112 MET CB C 111 36.821 37.015 -0.194 1 1 1493 . 8 1 1 A 112 112 MET N N 111 119.003 123.749 -4.746 1 1 1494 . 8 1 1 A 113 113 VAL H H 112 8.749 8.776 -0.027 1 1 1495 . 8 1 1 A 113 113 VAL HA H 112 5.967 4.784 1.183 1 1 1503 . 8 1 1 A 113 113 VAL C C 112 174.893 175.105 -0.212 1 1 1504 . 8 1 1 A 113 113 VAL CA C 112 58.896 61.242 -2.346 1 1 1505 . 8 1 1 A 113 113 VAL CB C 112 36.149 33.614 2.535 1 1 1508 . 8 1 1 A 113 113 VAL N N 112 119.658 122.280 -2.622 1 1 1509 . 8 1 1 A 114 114 TYR H H 113 8.210 8.842 -0.632 1 1 1510 . 8 1 1 A 114 114 TYR HA H 113 6.141 6.001 0.140 1 1 1517 . 8 1 1 A 114 114 TYR C C 113 173.353 173.908 -0.555 1 1 1518 . 8 1 1 A 114 114 TYR CA C 113 54.161 55.160 -0.999 1 1 1519 . 8 1 1 A 114 114 TYR CB C 113 43.538 42.362 1.176 1 1 1522 . 8 1 1 A 114 114 TYR N N 113 118.947 123.414 -4.467 1 1 1523 . 8 1 1 A 115 115 ALA H H 114 8.483 8.809 -0.326 1 1 1524 . 8 1 1 A 115 115 ALA HA H 114 4.762 4.798 -0.036 1 1 1528 . 8 1 1 A 115 115 ALA C C 114 176.033 176.650 -0.617 1 1 1529 . 8 1 1 A 115 115 ALA CA C 114 51.223 51.206 0.017 1 1 1530 . 8 1 1 A 115 115 ALA CB C 114 24.521 22.783 1.738 1 1 1531 . 8 1 1 A 115 115 ALA N N 114 119.557 121.906 -2.349 1 1 1532 . 8 1 1 A 116 116 SER H H 115 9.835 8.550 1.285 1 1 1533 . 8 1 1 A 116 116 SER HA H 115 4.497 4.854 -0.357 1 1 1536 . 8 1 1 A 116 116 SER C C 115 172.664 173.328 -0.664 1 1 1537 . 8 1 1 A 116 116 SER CA C 115 58.669 58.304 0.365 1 1 1538 . 8 1 1 A 116 116 SER CB C 115 63.570 63.258 0.312 1 1 1539 . 8 1 1 A 116 116 SER N N 115 114.435 112.948 1.487 1 1 1540 . 8 1 1 A 117 117 GLN H H 116 7.180 7.668 -0.488 1 1 1541 . 8 1 1 A 117 117 GLN HA H 116 4.460 5.005 -0.545 1 1 1548 . 8 1 1 A 117 117 GLN C C 116 172.901 175.520 -2.619 1 1 1549 . 8 1 1 A 117 117 GLN CA C 116 53.974 55.213 -1.239 1 1 1550 . 8 1 1 A 117 117 GLN CB C 116 32.192 32.131 0.061 1 1 1553 . 8 1 1 A 117 117 GLN N N 116 116.449 119.637 -3.188 1 1 1555 . 8 1 1 A 118 118 GLU H H 117 7.878 8.723 -0.845 1 1 1556 . 8 1 1 A 118 118 GLU HA H 117 3.259 4.592 -1.333 1 1 1561 . 8 1 1 A 118 118 GLU C C 117 175.233 177.043 -1.810 1 1 1562 . 8 1 1 A 118 118 GLU CA C 117 56.890 56.407 0.483 1 1 1563 . 8 1 1 A 118 118 GLU CB C 117 30.325 30.550 -0.225 1 1 1565 . 8 1 1 A 118 118 GLU N N 117 117.687 124.538 -6.851 1 1 1566 . 8 1 1 A 119 119 THR H H 118 6.968 7.675 -0.707 1 1 1567 . 8 1 1 A 119 119 THR HA H 118 4.082 4.495 -0.413 1 1 1572 . 8 1 1 A 119 119 THR C C 118 173.134 175.465 -2.331 1 1 1573 . 8 1 1 A 119 119 THR CA C 118 60.123 61.299 -1.176 1 1 1574 . 8 1 1 A 119 119 THR CB C 118 70.147 69.431 0.716 1 1 1576 . 8 1 1 A 119 119 THR N N 118 109.548 108.197 1.351 1 1 1577 . 8 1 1 A 120 120 PHE H H 119 8.138 8.480 -0.342 1 1 1578 . 8 1 1 A 120 120 PHE HA H 119 4.436 4.279 0.157 1 1 1586 . 8 1 1 A 120 120 PHE C C 119 174.902 177.691 -2.789 1 1 1587 . 8 1 1 A 120 120 PHE CA C 119 56.750 60.535 -3.785 1 1 1588 . 8 1 1 A 120 120 PHE CB C 119 39.411 37.618 1.793 1 1 1592 . 8 1 1 A 120 120 PHE N N 119 121.777 122.175 -0.398 1 1 1607 . 8 2 2 B 2 2 SER H H 332 8.471 8.634 -0.163 1 1 1608 . 8 2 2 B 2 2 SER HA H 332 4.484 5.269 -0.785 1 1 1611 . 8 2 2 B 2 2 SER C C 332 174.962 174.071 0.891 1 1 1612 . 8 2 2 B 2 2 SER CA C 332 88.436 57.019 31.417 1 1 1613 . 8 2 2 B 2 2 SER CB C 332 93.927 64.460 29.467 1 1 1614 . 8 2 2 B 2 2 SER N N 332 147.261 115.288 31.973 1 1 1615 . 8 2 2 B 3 3 GLY H H 333 8.601 8.623 -0.022 1 1 1616 . 8 2 2 B 3 3 GLY HA2 H 333 4.022 4.193 -0.171 1 1 1617 . 8 2 2 B 3 3 GLY HA3 H 333 4.022 4.200 -0.178 1 1 1618 . 8 2 2 B 3 3 GLY C C 333 174.774 175.543 -0.769 1 1 1619 . 8 2 2 B 3 3 GLY CA C 333 75.465 44.435 31.030 1 1 1620 . 8 2 2 B 3 3 GLY N N 333 141.077 113.294 27.783 1 1 1621 . 8 2 2 B 4 4 GLY H H 334 8.372 8.852 -0.480 1 1 1622 . 8 2 2 B 4 4 GLY HA2 H 334 3.980 3.850 0.130 1 1 1623 . 8 2 2 B 4 4 GLY HA3 H 334 3.980 3.852 0.128 1 1 1624 . 8 2 2 B 4 4 GLY C C 334 174.758 174.829 -0.071 1 1 1625 . 8 2 2 B 4 4 GLY CA C 334 75.674 47.210 28.464 1 1 1626 . 8 2 2 B 4 4 GLY N N 334 138.894 109.602 29.292 1 1 1627 . 8 2 2 B 5 5 ASP H H 335 8.429 8.098 0.331 1 1 1628 . 8 2 2 B 5 5 ASP HA H 335 4.610 4.909 -0.299 1 1 1631 . 8 2 2 B 5 5 ASP CA C 335 85.066 53.155 31.911 1 1 1632 . 8 2 2 B 5 5 ASP CB C 335 71.191 38.800 32.391 1 1 1633 . 8 2 2 B 5 5 ASP N N 335 149.637 121.278 28.359 1 1 1634 . 8 2 2 B 6 6 ASP H H 336 8.244 8.510 -0.266 1 1 1635 . 8 2 2 B 6 6 ASP HA H 336 4.559 4.475 0.084 1 1 1638 . 8 2 2 B 6 6 ASP C C 336 175.432 175.341 0.091 1 1 1639 . 8 2 2 B 6 6 ASP CA C 336 84.708 57.133 27.575 1 1 1640 . 8 2 2 B 6 6 ASP CB C 336 71.552 40.652 30.900 1 1 1641 . 8 2 2 B 6 6 ASP N N 336 148.885 122.133 26.752 1 1 1642 . 8 2 2 B 7 7 ASP H H 337 7.803 7.938 -0.135 1 1 1643 . 8 2 2 B 7 7 ASP HA H 337 4.655 5.091 -0.436 1 1 1646 . 8 2 2 B 7 7 ASP C C 337 175.362 175.003 0.359 1 1 1647 . 8 2 2 B 7 7 ASP CA C 337 83.670 52.911 30.759 1 1 1648 . 8 2 2 B 7 7 ASP CB C 337 71.933 45.752 26.181 1 1 1649 . 8 2 2 B 7 7 ASP N N 337 149.563 117.264 32.299 1 1 1650 . 8 2 2 B 8 8 TRP H H 338 8.472 8.705 -0.233 1 1 1651 . 8 2 2 B 8 8 TRP HA H 338 4.174 4.961 -0.787 1 1 1660 . 8 2 2 B 8 8 TRP C C 338 175.959 175.832 0.127 1 1 1661 . 8 2 2 B 8 8 TRP CA C 338 87.020 56.595 30.425 1 1 1662 . 8 2 2 B 8 8 TRP CB C 338 61.223 30.893 30.330 1 1 1668 . 8 2 2 B 8 8 TRP N N 338 150.172 120.796 29.376 1 1 1670 . 8 2 2 B 9 9 THR H H 339 7.994 8.478 -0.484 1 1 1671 . 8 2 2 B 9 9 THR HA H 339 4.533 4.560 -0.027 1 1 1676 . 8 2 2 B 9 9 THR C C 339 174.035 173.467 0.568 1 1 1677 . 8 2 2 B 9 9 THR CA C 339 92.659 61.233 31.426 1 1 1678 . 8 2 2 B 9 9 THR CB C 339 99.436 70.526 28.910 1 1 1680 . 8 2 2 B 9 9 THR N N 339 149.503 115.463 34.040 1 1 1681 . 8 2 2 B 10 10 HIS H H 340 9.463 8.054 1.409 1 1 1682 . 8 2 2 B 10 10 HIS HA H 340 4.677 5.383 -0.706 1 1 1687 . 8 2 2 B 10 10 HIS C C 340 175.606 174.234 1.372 1 1 1688 . 8 2 2 B 10 10 HIS CA C 340 87.024 54.108 32.916 1 1 1689 . 8 2 2 B 10 10 HIS CB C 340 61.368 31.524 29.844 1 1 1692 . 8 2 2 B 10 10 HIS N N 340 159.135 121.093 38.042 1 1 1693 . 8 2 2 B 11 11 LEU H H 341 8.398 9.262 -0.864 1 1 1694 . 8 2 2 B 11 11 LEU HA H 341 4.848 4.942 -0.094 1 1 1704 . 8 2 2 B 11 11 LEU C C 341 175.919 175.619 0.300 1 1 1705 . 8 2 2 B 11 11 LEU CA C 341 83.684 53.686 29.998 1 1 1706 . 8 2 2 B 11 11 LEU CB C 341 73.601 42.492 31.109 1 1 1710 . 8 2 2 B 11 11 LEU N N 341 153.300 125.282 28.018 1 1 1711 . 8 2 2 B 12 12 SER H H 342 8.382 8.809 -0.427 1 1 1712 . 8 2 2 B 12 12 SER HA H 342 4.652 4.799 -0.147 1 1 1715 . 8 2 2 B 12 12 SER C C 342 174.263 175.200 -0.937 1 1 1716 . 8 2 2 B 12 12 SER CA C 342 86.841 57.242 29.599 1 1 1717 . 8 2 2 B 12 12 SER CB C 342 95.113 65.967 29.146 1 1 1718 . 8 2 2 B 12 12 SER N N 342 144.018 122.570 21.448 1 1 1719 . 8 2 2 B 13 13 SER H H 343 8.937 8.761 0.176 1 1 1720 . 8 2 2 B 13 13 SER HA H 343 4.291 4.424 -0.133 1 1 1723 . 8 2 2 B 13 13 SER C C 343 174.652 175.482 -0.830 1 1 1724 . 8 2 2 B 13 13 SER CA C 343 89.546 60.083 29.463 1 1 1725 . 8 2 2 B 13 13 SER CB C 343 93.470 63.669 29.801 1 1 1726 . 8 2 2 B 13 13 SER N N 343 148.575 117.310 31.265 1 1 1727 . 8 2 2 B 14 14 LYS H H 344 8.250 8.521 -0.271 1 1 1728 . 8 2 2 B 14 14 LYS HA H 344 4.319 4.162 0.157 1 1 1737 . 8 2 2 B 14 14 LYS C C 344 176.699 177.554 -0.855 1 1 1738 . 8 2 2 B 14 14 LYS CA C 344 86.716 58.630 28.086 1 1 1739 . 8 2 2 B 14 14 LYS CB C 344 62.831 32.406 30.425 1 1 1743 . 8 2 2 B 14 14 LYS N N 344 151.908 121.575 30.333 1 1 1744 . 8 2 2 B 15 15 GLU H H 345 8.256 7.790 0.466 1 1 1745 . 8 2 2 B 15 15 GLU HA H 345 4.240 4.391 -0.151 1 1 1750 . 8 2 2 B 15 15 GLU C C 345 176.152 176.280 -0.128 1 1 1751 . 8 2 2 B 15 15 GLU CA C 345 87.152 56.786 30.366 1 1 1752 . 8 2 2 B 15 15 GLU CB C 345 60.176 30.420 29.756 1 1 1754 . 8 2 2 B 15 15 GLU N N 345 150.679 118.059 32.620 1 1 1755 . 8 2 2 B 16 16 VAL H H 346 7.762 7.380 0.382 1 1 1756 . 8 2 2 B 16 16 VAL HA H 346 4.161 4.117 0.044 1 1 1764 . 8 2 2 B 16 16 VAL C C 346 174.646 175.571 -0.925 1 1 1765 . 8 2 2 B 16 16 VAL CA C 346 91.707 61.547 30.160 1 1 1766 . 8 2 2 B 16 16 VAL CB C 346 63.107 33.379 29.728 1 1 1769 . 8 2 2 B 16 16 VAL N N 346 146.718 117.817 28.901 1 1 9 . 9 1 1 A 2 2 MET H H 1 8.414 8.644 -0.230 1 1 10 . 9 1 1 A 2 2 MET HA H 1 4.826 5.081 -0.255 1 1 18 . 9 1 1 A 2 2 MET CA C 1 53.382 52.566 0.816 1 1 19 . 9 1 1 A 2 2 MET CB C 1 32.478 33.656 -1.178 1 1 22 . 9 1 1 A 2 2 MET N N 1 122.882 119.945 2.937 1 1 23 . 9 1 1 A 3 3 PRO HA H 2 4.425 4.606 -0.181 1 1 30 . 9 1 1 A 3 3 PRO C C 2 176.847 176.381 0.466 1 1 31 . 9 1 1 A 3 3 PRO CA C 2 63.386 62.245 1.141 1 1 32 . 9 1 1 A 3 3 PRO CB C 2 32.077 32.848 -0.771 1 1 35 . 9 1 1 A 4 4 SER H H 3 8.347 8.450 -0.103 1 1 36 . 9 1 1 A 4 4 SER HA H 3 4.391 4.694 -0.303 1 1 39 . 9 1 1 A 4 4 SER C C 3 174.643 174.209 0.434 1 1 40 . 9 1 1 A 4 4 SER CA C 3 58.336 58.543 -0.207 1 1 41 . 9 1 1 A 4 4 SER CB C 3 63.798 64.453 -0.655 1 1 42 . 9 1 1 A 4 4 SER N N 3 115.234 116.498 -1.264 1 1 43 . 9 1 1 A 5 5 GLU H H 4 8.472 8.320 0.152 1 1 44 . 9 1 1 A 5 5 GLU HA H 4 4.297 4.328 -0.031 1 1 49 . 9 1 1 A 5 5 GLU C C 4 176.352 176.387 -0.035 1 1 50 . 9 1 1 A 5 5 GLU CA C 4 56.572 56.045 0.527 1 1 51 . 9 1 1 A 5 5 GLU CB C 4 30.285 30.791 -0.506 1 1 53 . 9 1 1 A 5 5 GLU N N 4 123.045 122.136 0.909 1 1 54 . 9 1 1 A 6 6 LYS H H 5 8.214 8.412 -0.198 1 1 55 . 9 1 1 A 6 6 LYS HA H 5 4.500 4.336 0.164 1 1 64 . 9 1 1 A 6 6 LYS C C 5 177.243 177.056 0.187 1 1 65 . 9 1 1 A 6 6 LYS CA C 5 55.943 56.634 -0.691 1 1 66 . 9 1 1 A 6 6 LYS CB C 5 34.621 32.857 1.764 1 1 70 . 9 1 1 A 6 6 LYS N N 5 121.467 122.042 -0.575 1 1 71 . 9 1 1 A 7 7 THR H H 6 8.431 8.593 -0.162 1 1 72 . 9 1 1 A 7 7 THR HA H 6 4.383 4.730 -0.347 1 1 77 . 9 1 1 A 7 7 THR C C 6 175.360 176.349 -0.989 1 1 78 . 9 1 1 A 7 7 THR CA C 6 61.124 60.371 0.753 1 1 79 . 9 1 1 A 7 7 THR CB C 6 69.863 70.970 -1.107 1 1 81 . 9 1 1 A 7 7 THR N N 6 114.691 113.216 1.475 1 1 82 . 9 1 1 A 8 8 PHE H H 7 10.194 8.935 1.259 1 1 83 . 9 1 1 A 8 8 PHE HA H 7 3.904 4.231 -0.327 1 1 88 . 9 1 1 A 8 8 PHE C C 7 177.000 177.818 -0.818 1 1 89 . 9 1 1 A 8 8 PHE CA C 7 63.388 61.246 2.142 1 1 90 . 9 1 1 A 8 8 PHE CB C 7 39.586 38.977 0.609 1 1 92 . 9 1 1 A 8 8 PHE N N 7 124.861 123.530 1.331 1 1 93 . 9 1 1 A 9 9 LYS H H 8 8.707 8.225 0.482 1 1 94 . 9 1 1 A 9 9 LYS HA H 8 3.761 4.312 -0.551 1 1 103 . 9 1 1 A 9 9 LYS C C 8 177.496 179.076 -1.580 1 1 104 . 9 1 1 A 9 9 LYS CA C 8 59.945 59.401 0.544 1 1 105 . 9 1 1 A 9 9 LYS CB C 8 33.870 32.279 1.591 1 1 109 . 9 1 1 A 9 9 LYS N N 8 114.189 118.046 -3.857 1 1 110 . 9 1 1 A 10 10 GLN H H 9 7.284 7.965 -0.681 1 1 111 . 9 1 1 A 10 10 GLN HA H 9 4.113 4.087 0.026 1 1 118 . 9 1 1 A 10 10 GLN C C 9 177.416 178.007 -0.591 1 1 119 . 9 1 1 A 10 10 GLN CA C 9 56.743 58.782 -2.039 1 1 120 . 9 1 1 A 10 10 GLN CB C 9 30.002 28.465 1.537 1 1 123 . 9 1 1 A 10 10 GLN N N 9 112.843 119.454 -6.611 1 1 125 . 9 1 1 A 11 11 ARG H H 10 7.889 8.228 -0.339 1 1 126 . 9 1 1 A 11 11 ARG HA H 10 4.255 4.021 0.234 1 1 133 . 9 1 1 A 11 11 ARG C C 10 175.059 176.510 -1.451 1 1 134 . 9 1 1 A 11 11 ARG CA C 10 57.018 59.571 -2.553 1 1 135 . 9 1 1 A 11 11 ARG CB C 10 31.628 30.397 1.231 1 1 138 . 9 1 1 A 11 11 ARG N N 10 117.567 120.759 -3.192 1 1 139 . 9 1 1 A 12 12 ARG H H 11 7.443 7.918 -0.475 1 1 140 . 9 1 1 A 12 12 ARG HA H 11 4.493 4.423 0.070 1 1 147 . 9 1 1 A 12 12 ARG CA C 11 54.172 55.786 -1.614 1 1 148 . 9 1 1 A 12 12 ARG CB C 11 32.857 31.194 1.663 1 1 151 . 9 1 1 A 12 12 ARG N N 11 122.786 119.568 3.218 1 1 152 . 9 1 1 A 13 13 SER HA H 12 4.403 4.599 -0.196 1 1 155 . 9 1 1 A 13 13 SER C C 12 174.222 175.414 -1.192 1 1 156 . 9 1 1 A 13 13 SER CA C 12 58.274 58.463 -0.189 1 1 157 . 9 1 1 A 13 13 SER CB C 12 64.821 63.917 0.904 1 1 158 . 9 1 1 A 14 14 PHE H H 13 9.239 9.260 -0.021 1 1 159 . 9 1 1 A 14 14 PHE HA H 13 4.035 4.115 -0.080 1 1 165 . 9 1 1 A 14 14 PHE C C 13 176.023 177.241 -1.218 1 1 166 . 9 1 1 A 14 14 PHE CA C 13 62.790 62.806 -0.016 1 1 167 . 9 1 1 A 14 14 PHE CB C 13 39.580 39.972 -0.392 1 1 169 . 9 1 1 A 14 14 PHE N N 13 123.729 123.282 0.447 1 1 170 . 9 1 1 A 15 15 GLU H H 14 9.093 8.710 0.383 1 1 171 . 9 1 1 A 15 15 GLU HA H 14 3.813 4.014 -0.201 1 1 176 . 9 1 1 A 15 15 GLU C C 14 179.549 178.694 0.855 1 1 177 . 9 1 1 A 15 15 GLU CA C 14 60.444 59.090 1.354 1 1 178 . 9 1 1 A 15 15 GLU CB C 14 28.804 28.641 0.163 1 1 180 . 9 1 1 A 15 15 GLU N N 14 115.336 118.238 -2.902 1 1 181 . 9 1 1 A 16 16 GLN H H 15 7.752 8.298 -0.546 1 1 182 . 9 1 1 A 16 16 GLN HA H 15 4.044 4.169 -0.125 1 1 189 . 9 1 1 A 16 16 GLN C C 15 177.931 177.673 0.258 1 1 190 . 9 1 1 A 16 16 GLN CA C 15 58.486 58.258 0.228 1 1 191 . 9 1 1 A 16 16 GLN CB C 15 29.393 28.658 0.735 1 1 194 . 9 1 1 A 16 16 GLN N N 15 119.145 120.452 -1.307 1 1 196 . 9 1 1 A 17 17 ARG H H 16 8.577 8.478 0.099 1 1 197 . 9 1 1 A 17 17 ARG HA H 16 4.280 4.272 0.008 1 1 202 . 9 1 1 A 17 17 ARG C C 16 177.128 178.489 -1.361 1 1 203 . 9 1 1 A 17 17 ARG CA C 16 61.442 58.737 2.705 1 1 204 . 9 1 1 A 17 17 ARG N N 16 121.288 119.753 1.535 1 1 205 . 9 1 1 A 18 18 VAL H H 17 8.329 8.169 0.160 1 1 206 . 9 1 1 A 18 18 VAL HA H 17 3.938 3.780 0.158 1 1 214 . 9 1 1 A 18 18 VAL C C 17 179.744 177.936 1.808 1 1 215 . 9 1 1 A 18 18 VAL CA C 17 65.441 65.235 0.206 1 1 216 . 9 1 1 A 18 18 VAL CB C 17 32.080 31.410 0.670 1 1 219 . 9 1 1 A 18 18 VAL N N 17 116.752 118.446 -1.694 1 1 220 . 9 1 1 A 19 19 GLU H H 18 7.445 8.106 -0.661 1 1 221 . 9 1 1 A 19 19 GLU HA H 18 4.270 3.963 0.307 1 1 226 . 9 1 1 A 19 19 GLU C C 18 177.625 177.896 -0.271 1 1 227 . 9 1 1 A 19 19 GLU CA C 18 58.637 59.819 -1.182 1 1 228 . 9 1 1 A 19 19 GLU CB C 18 29.398 28.852 0.546 1 1 230 . 9 1 1 A 19 19 GLU N N 18 120.323 121.162 -0.839 1 1 231 . 9 1 1 A 20 20 ASP H H 19 8.690 8.164 0.526 1 1 232 . 9 1 1 A 20 20 ASP HA H 19 4.514 4.374 0.140 1 1 235 . 9 1 1 A 20 20 ASP C C 19 179.877 178.755 1.122 1 1 236 . 9 1 1 A 20 20 ASP CA C 19 57.224 57.514 -0.290 1 1 237 . 9 1 1 A 20 20 ASP CB C 19 41.487 41.084 0.403 1 1 238 . 9 1 1 A 20 20 ASP N N 19 120.313 120.016 0.297 1 1 239 . 9 1 1 A 21 21 VAL H H 20 7.731 7.546 0.185 1 1 240 . 9 1 1 A 21 21 VAL HA H 20 3.394 3.241 0.153 1 1 248 . 9 1 1 A 21 21 VAL C C 20 176.989 177.741 -0.752 1 1 249 . 9 1 1 A 21 21 VAL CA C 20 65.989 67.058 -1.069 1 1 250 . 9 1 1 A 21 21 VAL CB C 20 31.291 31.120 0.171 1 1 253 . 9 1 1 A 21 21 VAL N N 20 119.119 119.462 -0.343 1 1 254 . 9 1 1 A 22 22 ARG H H 21 8.313 8.125 0.188 1 1 255 . 9 1 1 A 22 22 ARG HA H 21 3.825 3.970 -0.145 1 1 263 . 9 1 1 A 22 22 ARG C C 21 180.178 178.357 1.821 1 1 264 . 9 1 1 A 22 22 ARG CA C 21 59.821 59.263 0.558 1 1 265 . 9 1 1 A 22 22 ARG CB C 21 30.164 29.922 0.242 1 1 269 . 9 1 1 A 22 22 ARG N N 21 120.772 120.112 0.660 1 1 271 . 9 1 1 A 23 23 LEU H H 22 8.306 8.253 0.053 1 1 272 . 9 1 1 A 23 23 LEU HA H 22 4.076 3.979 0.097 1 1 282 . 9 1 1 A 23 23 LEU C C 22 180.221 178.981 1.240 1 1 283 . 9 1 1 A 23 23 LEU CA C 22 57.541 57.938 -0.397 1 1 284 . 9 1 1 A 23 23 LEU CB C 22 42.300 41.562 0.738 1 1 288 . 9 1 1 A 23 23 LEU N N 22 116.413 119.533 -3.120 1 1 289 . 9 1 1 A 24 24 ILE H H 23 7.864 7.835 0.029 1 1 290 . 9 1 1 A 24 24 ILE HA H 23 4.090 3.915 0.175 1 1 300 . 9 1 1 A 24 24 ILE C C 23 177.922 178.519 -0.597 1 1 301 . 9 1 1 A 24 24 ILE CA C 23 60.190 64.365 -4.175 1 1 302 . 9 1 1 A 24 24 ILE CB C 23 38.072 37.552 0.520 1 1 306 . 9 1 1 A 24 24 ILE N N 23 121.259 118.682 2.577 1 1 307 . 9 1 1 A 25 25 ARG H H 24 8.339 8.389 -0.050 1 1 308 . 9 1 1 A 25 25 ARG HA H 24 3.973 4.018 -0.045 1 1 316 . 9 1 1 A 25 25 ARG C C 24 178.479 178.203 0.276 1 1 317 . 9 1 1 A 25 25 ARG CA C 24 57.337 59.377 -2.040 1 1 318 . 9 1 1 A 25 25 ARG CB C 24 28.663 30.203 -1.540 1 1 322 . 9 1 1 A 25 25 ARG N N 24 121.816 122.131 -0.315 1 1 324 . 9 1 1 A 26 26 GLU H H 25 7.133 8.613 -1.480 1 1 325 . 9 1 1 A 26 26 GLU HA H 25 4.052 4.140 -0.088 1 1 330 . 9 1 1 A 26 26 GLU C C 25 178.158 177.322 0.836 1 1 331 . 9 1 1 A 26 26 GLU CA C 25 58.367 57.916 0.451 1 1 332 . 9 1 1 A 26 26 GLU CB C 25 29.903 29.530 0.373 1 1 334 . 9 1 1 A 26 26 GLU N N 25 116.794 117.871 -1.077 1 1 335 . 9 1 1 A 27 27 GLN H H 26 7.283 8.257 -0.974 1 1 336 . 9 1 1 A 27 27 GLN HA H 26 3.888 4.337 -0.449 1 1 343 . 9 1 1 A 27 27 GLN C C 26 176.088 175.728 0.360 1 1 344 . 9 1 1 A 27 27 GLN CA C 26 57.676 56.581 1.095 1 1 345 . 9 1 1 A 27 27 GLN CB C 26 30.382 30.815 -0.433 1 1 348 . 9 1 1 A 27 27 GLN N N 26 116.373 117.406 -1.033 1 1 350 . 9 1 1 A 28 28 HIS H H 27 8.223 8.225 -0.002 1 1 351 . 9 1 1 A 28 28 HIS HA H 27 4.941 5.046 -0.105 1 1 356 . 9 1 1 A 28 28 HIS CA C 27 53.278 53.353 -0.075 1 1 357 . 9 1 1 A 28 28 HIS CB C 27 30.933 29.692 1.241 1 1 360 . 9 1 1 A 28 28 HIS N N 27 115.408 116.543 -1.135 1 1 361 . 9 1 1 A 29 29 PRO HA H 28 4.562 4.325 0.237 1 1 368 . 9 1 1 A 29 29 PRO C C 28 178.046 177.825 0.221 1 1 369 . 9 1 1 A 29 29 PRO CA C 28 64.821 64.594 0.227 1 1 370 . 9 1 1 A 29 29 PRO CB C 28 32.447 31.989 0.458 1 1 373 . 9 1 1 A 30 30 THR H H 29 7.820 7.741 0.079 1 1 374 . 9 1 1 A 30 30 THR HA H 29 4.583 4.346 0.237 1 1 379 . 9 1 1 A 30 30 THR C C 29 172.723 173.369 -0.646 1 1 380 . 9 1 1 A 30 30 THR CA C 29 60.826 61.956 -1.130 1 1 381 . 9 1 1 A 30 30 THR CB C 29 68.641 69.171 -0.530 1 1 383 . 9 1 1 A 30 30 THR N N 29 106.682 107.733 -1.051 1 1 384 . 9 1 1 A 31 31 LYS H H 30 7.453 7.109 0.344 1 1 385 . 9 1 1 A 31 31 LYS HA H 30 4.850 4.956 -0.106 1 1 394 . 9 1 1 A 31 31 LYS C C 30 174.296 174.666 -0.370 1 1 395 . 9 1 1 A 31 31 LYS CA C 30 53.944 54.446 -0.502 1 1 396 . 9 1 1 A 31 31 LYS CB C 30 36.098 36.100 -0.002 1 1 400 . 9 1 1 A 31 31 LYS N N 30 117.809 120.269 -2.460 1 1 401 . 9 1 1 A 32 32 ILE H H 31 9.265 9.321 -0.056 1 1 402 . 9 1 1 A 32 32 ILE HA H 31 4.106 4.237 -0.131 1 1 412 . 9 1 1 A 32 32 ILE CA C 31 54.606 57.575 -2.969 1 1 413 . 9 1 1 A 32 32 ILE CB C 31 38.448 38.318 0.130 1 1 417 . 9 1 1 A 32 32 ILE N N 31 122.497 123.057 -0.560 1 1 418 . 9 1 1 A 33 33 PRO HA H 32 5.252 4.878 0.374 1 1 425 . 9 1 1 A 33 33 PRO C C 32 174.652 176.706 -2.054 1 1 426 . 9 1 1 A 33 33 PRO CA C 32 61.704 62.510 -0.806 1 1 427 . 9 1 1 A 33 33 PRO CB C 32 31.873 31.889 -0.016 1 1 430 . 9 1 1 A 34 34 VAL H H 33 9.359 8.159 1.200 1 1 431 . 9 1 1 A 34 34 VAL HA H 33 5.298 5.222 0.076 1 1 439 . 9 1 1 A 34 34 VAL C C 33 173.633 174.822 -1.189 1 1 440 . 9 1 1 A 34 34 VAL CA C 33 59.830 59.456 0.374 1 1 441 . 9 1 1 A 34 34 VAL CB C 33 36.154 36.279 -0.125 1 1 444 . 9 1 1 A 34 34 VAL N N 33 124.496 116.360 8.136 1 1 445 . 9 1 1 A 35 35 ILE H H 34 8.667 9.126 -0.459 1 1 446 . 9 1 1 A 35 35 ILE HA H 34 4.867 4.982 -0.115 1 1 456 . 9 1 1 A 35 35 ILE C C 34 175.770 174.816 0.954 1 1 457 . 9 1 1 A 35 35 ILE CA C 34 56.320 60.444 -4.124 1 1 458 . 9 1 1 A 35 35 ILE CB C 34 36.909 39.597 -2.688 1 1 462 . 9 1 1 A 35 35 ILE N N 34 127.447 121.825 5.622 1 1 463 . 9 1 1 A 36 36 ILE H H 35 8.422 8.867 -0.445 1 1 464 . 9 1 1 A 36 36 ILE HA H 35 4.890 5.032 -0.142 1 1 474 . 9 1 1 A 36 36 ILE C C 35 175.098 175.509 -0.411 1 1 475 . 9 1 1 A 36 36 ILE CA C 35 60.806 60.649 0.157 1 1 476 . 9 1 1 A 36 36 ILE CB C 35 39.357 38.400 0.957 1 1 480 . 9 1 1 A 36 36 ILE N N 35 124.267 128.498 -4.231 1 1 481 . 9 1 1 A 37 37 GLU H H 36 8.335 8.782 -0.447 1 1 482 . 9 1 1 A 37 37 GLU HA H 36 4.820 4.875 -0.055 1 1 487 . 9 1 1 A 37 37 GLU C C 36 173.502 175.578 -2.076 1 1 488 . 9 1 1 A 37 37 GLU CA C 36 54.214 54.216 -0.002 1 1 489 . 9 1 1 A 37 37 GLU CB C 36 35.547 33.150 2.397 1 1 491 . 9 1 1 A 37 37 GLU N N 36 123.296 126.323 -3.027 1 1 492 . 9 1 1 A 38 38 ARG H H 37 8.891 8.213 0.678 1 1 493 . 9 1 1 A 38 38 ARG HA H 37 2.755 3.754 -0.999 1 1 501 . 9 1 1 A 38 38 ARG C C 37 176.165 175.293 0.872 1 1 502 . 9 1 1 A 38 38 ARG CA C 37 56.235 55.887 0.348 1 1 503 . 9 1 1 A 38 38 ARG CB C 37 31.328 30.637 0.691 1 1 507 . 9 1 1 A 38 38 ARG N N 37 123.143 121.645 1.498 1 1 509 . 9 1 1 A 39 39 TYR H H 38 8.681 7.871 0.810 1 1 510 . 9 1 1 A 39 39 TYR HA H 38 4.331 4.406 -0.075 1 1 517 . 9 1 1 A 39 39 TYR C C 38 177.064 175.228 1.836 1 1 518 . 9 1 1 A 39 39 TYR CA C 38 57.769 59.107 -1.338 1 1 519 . 9 1 1 A 39 39 TYR CB C 38 39.552 38.807 0.745 1 1 522 . 9 1 1 A 39 39 TYR N N 38 128.699 122.886 5.813 1 1 523 . 9 1 1 A 40 40 LYS H H 39 8.454 7.962 0.492 1 1 524 . 9 1 1 A 40 40 LYS HA H 39 3.841 4.004 -0.163 1 1 533 . 9 1 1 A 40 40 LYS C C 39 176.290 176.847 -0.557 1 1 534 . 9 1 1 A 40 40 LYS CA C 39 58.772 56.773 1.999 1 1 535 . 9 1 1 A 40 40 LYS CB C 39 31.738 31.599 0.139 1 1 539 . 9 1 1 A 40 40 LYS N N 39 130.022 123.874 6.148 1 1 540 . 9 1 1 A 41 41 GLY H H 40 5.457 8.610 -3.153 1 1 541 . 9 1 1 A 41 41 GLY HA2 H 40 3.306 4.007 -0.701 1 1 542 . 9 1 1 A 41 41 GLY HA3 H 40 3.999 4.104 -0.105 1 1 543 . 9 1 1 A 41 41 GLY C C 40 173.426 174.053 -0.627 1 1 544 . 9 1 1 A 41 41 GLY CA C 40 44.673 45.479 -0.806 1 1 545 . 9 1 1 A 41 41 GLY N N 40 104.628 113.470 -8.842 1 1 546 . 9 1 1 A 42 42 GLU H H 41 7.440 8.181 -0.741 1 1 547 . 9 1 1 A 42 42 GLU HA H 41 4.278 4.590 -0.312 1 1 552 . 9 1 1 A 42 42 GLU C C 41 176.306 176.502 -0.196 1 1 553 . 9 1 1 A 42 42 GLU CA C 41 56.358 55.159 1.199 1 1 554 . 9 1 1 A 42 42 GLU CB C 41 31.014 30.753 0.261 1 1 556 . 9 1 1 A 42 42 GLU N N 41 122.648 120.625 2.023 1 1 557 . 9 1 1 A 43 43 LYS H H 42 8.912 8.435 0.477 1 1 558 . 9 1 1 A 43 43 LYS HA H 42 4.680 4.601 0.079 1 1 567 . 9 1 1 A 43 43 LYS C C 42 177.063 178.259 -1.196 1 1 568 . 9 1 1 A 43 43 LYS CA C 42 55.652 57.003 -1.351 1 1 569 . 9 1 1 A 43 43 LYS CB C 42 34.871 34.109 0.762 1 1 573 . 9 1 1 A 43 43 LYS N N 42 123.569 123.236 0.333 1 1 574 . 9 1 1 A 44 44 GLN H H 43 8.446 8.115 0.331 1 1 575 . 9 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1 1 582 . 9 1 1 A 44 44 GLN C C 43 177.152 177.107 0.045 1 1 583 . 9 1 1 A 44 44 GLN CA C 43 57.561 59.027 -1.466 1 1 584 . 9 1 1 A 44 44 GLN CB C 43 30.671 28.544 2.127 1 1 587 . 9 1 1 A 44 44 GLN N N 43 118.990 118.303 0.687 1 1 589 . 9 1 1 A 45 45 LEU H H 44 9.043 8.116 0.927 1 1 590 . 9 1 1 A 45 45 LEU HA H 44 4.716 4.467 0.249 1 1 600 . 9 1 1 A 45 45 LEU CA C 44 53.078 53.906 -0.828 1 1 601 . 9 1 1 A 45 45 LEU CB C 44 43.614 41.266 2.348 1 1 605 . 9 1 1 A 45 45 LEU N N 44 120.375 120.344 0.031 1 1 606 . 9 1 1 A 46 46 PRO HA H 45 4.723 4.644 0.079 1 1 613 . 9 1 1 A 46 46 PRO C C 45 175.883 176.010 -0.127 1 1 614 . 9 1 1 A 46 46 PRO CA C 45 62.005 62.241 -0.236 1 1 615 . 9 1 1 A 46 46 PRO CB C 45 32.609 32.327 0.282 1 1 618 . 9 1 1 A 47 47 VAL H H 46 8.437 8.552 -0.115 1 1 619 . 9 1 1 A 47 47 VAL HA H 46 3.914 4.345 -0.431 1 1 627 . 9 1 1 A 47 47 VAL C C 46 175.367 176.072 -0.705 1 1 628 . 9 1 1 A 47 47 VAL CA C 46 62.700 61.761 0.939 1 1 629 . 9 1 1 A 47 47 VAL CB C 46 32.927 32.080 0.847 1 1 632 . 9 1 1 A 47 47 VAL N N 46 118.440 121.493 -3.053 1 1 633 . 9 1 1 A 48 48 LEU H H 47 7.863 8.576 -0.713 1 1 634 . 9 1 1 A 48 48 LEU HA H 47 4.384 4.099 0.285 1 1 644 . 9 1 1 A 48 48 LEU C C 47 176.088 177.975 -1.887 1 1 645 . 9 1 1 A 48 48 LEU CA C 47 54.851 55.999 -1.148 1 1 646 . 9 1 1 A 48 48 LEU CB C 47 43.841 44.092 -0.251 1 1 650 . 9 1 1 A 48 48 LEU N N 47 129.127 129.310 -0.183 1 1 651 . 9 1 1 A 49 49 ASP H H 48 8.699 8.835 -0.136 1 1 652 . 9 1 1 A 49 49 ASP HA H 48 4.293 4.347 -0.054 1 1 655 . 9 1 1 A 49 49 ASP C C 48 175.121 175.647 -0.526 1 1 656 . 9 1 1 A 49 49 ASP CA C 48 55.717 57.495 -1.778 1 1 657 . 9 1 1 A 49 49 ASP CB C 48 40.260 40.777 -0.517 1 1 658 . 9 1 1 A 49 49 ASP N N 48 121.389 125.391 -4.002 1 1 659 . 9 1 1 A 50 50 LYS H H 49 7.251 7.460 -0.209 1 1 660 . 9 1 1 A 50 50 LYS HA H 49 4.540 4.539 0.001 1 1 669 . 9 1 1 A 50 50 LYS C C 49 174.664 175.331 -0.667 1 1 670 . 9 1 1 A 50 50 LYS CA C 49 53.211 55.136 -1.925 1 1 671 . 9 1 1 A 50 50 LYS CB C 49 35.514 33.509 2.005 1 1 675 . 9 1 1 A 50 50 LYS N N 49 118.260 113.079 5.181 1 1 676 . 9 1 1 A 51 51 THR H H 50 8.162 8.150 0.012 1 1 677 . 9 1 1 A 51 51 THR HA H 50 4.685 4.838 -0.153 1 1 682 . 9 1 1 A 51 51 THR C C 50 171.631 174.297 -2.666 1 1 683 . 9 1 1 A 51 51 THR CA C 50 63.581 62.371 1.210 1 1 684 . 9 1 1 A 51 51 THR CB C 50 71.587 70.032 1.555 1 1 686 . 9 1 1 A 51 51 THR N N 50 112.535 112.725 -0.190 1 1 687 . 9 1 1 A 52 52 LYS H H 51 6.971 7.566 -0.595 1 1 688 . 9 1 1 A 52 52 LYS HA H 51 4.443 4.961 -0.518 1 1 697 . 9 1 1 A 52 52 LYS C C 51 175.417 175.744 -0.327 1 1 698 . 9 1 1 A 52 52 LYS CA C 51 55.209 55.011 0.198 1 1 699 . 9 1 1 A 52 52 LYS CB C 51 33.309 34.257 -0.948 1 1 703 . 9 1 1 A 52 52 LYS N N 51 120.227 119.865 0.362 1 1 704 . 9 1 1 A 53 53 PHE H H 52 9.688 8.902 0.786 1 1 705 . 9 1 1 A 53 53 PHE HA H 52 5.675 4.945 0.730 1 1 712 . 9 1 1 A 53 53 PHE C C 52 174.348 174.489 -0.141 1 1 713 . 9 1 1 A 53 53 PHE CA C 52 56.625 56.654 -0.029 1 1 714 . 9 1 1 A 53 53 PHE CB C 52 43.109 43.662 -0.553 1 1 716 . 9 1 1 A 53 53 PHE N N 52 124.646 121.357 3.289 1 1 717 . 9 1 1 A 54 54 LEU H H 53 8.470 9.060 -0.590 1 1 718 . 9 1 1 A 54 54 LEU HA H 53 5.044 4.828 0.216 1 1 728 . 9 1 1 A 54 54 LEU C C 53 176.144 175.807 0.337 1 1 729 . 9 1 1 A 54 54 LEU CA C 53 52.954 53.225 -0.271 1 1 730 . 9 1 1 A 54 54 LEU CB C 53 45.081 42.389 2.692 1 1 734 . 9 1 1 A 54 54 LEU N N 53 119.430 123.554 -4.124 1 1 735 . 9 1 1 A 55 55 VAL H H 54 8.802 8.658 0.144 1 1 736 . 9 1 1 A 55 55 VAL HA H 54 4.640 4.492 0.148 1 1 744 . 9 1 1 A 55 55 VAL CA C 54 58.549 59.655 -1.106 1 1 745 . 9 1 1 A 55 55 VAL CB C 54 35.342 31.859 3.483 1 1 748 . 9 1 1 A 55 55 VAL N N 54 123.841 125.998 -2.157 1 1 749 . 9 1 1 A 56 56 PRO HA H 55 4.439 4.612 -0.173 1 1 756 . 9 1 1 A 56 56 PRO C C 55 176.666 176.316 0.350 1 1 757 . 9 1 1 A 56 56 PRO CA C 55 64.256 62.196 2.060 1 1 758 . 9 1 1 A 56 56 PRO CB C 55 32.783 31.550 1.233 1 1 761 . 9 1 1 A 57 57 ASP H H 56 8.412 7.940 0.472 1 1 762 . 9 1 1 A 57 57 ASP HA H 56 3.848 4.468 -0.620 1 1 765 . 9 1 1 A 57 57 ASP C C 56 175.417 176.540 -1.123 1 1 766 . 9 1 1 A 57 57 ASP CA C 56 56.616 53.767 2.849 1 1 767 . 9 1 1 A 57 57 ASP CB C 56 40.410 40.023 0.387 1 1 768 . 9 1 1 A 57 57 ASP N N 56 120.415 122.282 -1.867 1 1 769 . 9 1 1 A 58 58 HIS H H 57 7.373 7.525 -0.152 1 1 770 . 9 1 1 A 58 58 HIS HA H 57 4.770 4.813 -0.043 1 1 775 . 9 1 1 A 58 58 HIS C C 57 176.594 174.049 2.545 1 1 776 . 9 1 1 A 58 58 HIS CA C 57 55.584 55.198 0.386 1 1 777 . 9 1 1 A 58 58 HIS CB C 57 30.628 31.160 -0.532 1 1 780 . 9 1 1 A 58 58 HIS N N 57 113.439 114.109 -0.670 1 1 781 . 9 1 1 A 59 59 VAL H H 58 7.249 7.535 -0.286 1 1 782 . 9 1 1 A 59 59 VAL HA H 58 3.903 4.832 -0.929 1 1 790 . 9 1 1 A 59 59 VAL C C 58 175.014 173.562 1.452 1 1 791 . 9 1 1 A 59 59 VAL CA C 58 62.726 58.965 3.761 1 1 792 . 9 1 1 A 59 59 VAL CB C 58 32.190 36.152 -3.962 1 1 795 . 9 1 1 A 59 59 VAL N N 58 122.597 115.597 7.000 1 1 796 . 9 1 1 A 60 60 ASN H H 59 8.677 8.403 0.274 1 1 797 . 9 1 1 A 60 60 ASN HA H 59 5.187 5.244 -0.057 1 1 802 . 9 1 1 A 60 60 ASN C C 59 176.477 176.852 -0.375 1 1 803 . 9 1 1 A 60 60 ASN CA C 59 51.181 51.413 -0.232 1 1 804 . 9 1 1 A 60 60 ASN CB C 59 39.947 41.668 -1.721 1 1 806 . 9 1 1 A 60 60 ASN N N 59 122.962 117.370 5.592 1 1 808 . 9 1 1 A 61 61 MET H H 60 8.038 8.778 -0.740 1 1 809 . 9 1 1 A 61 61 MET HA H 60 4.426 4.204 0.222 1 1 817 . 9 1 1 A 61 61 MET C C 60 177.996 178.537 -0.541 1 1 818 . 9 1 1 A 61 61 MET CA C 60 57.118 58.343 -1.225 1 1 819 . 9 1 1 A 61 61 MET CB C 60 29.998 31.916 -1.918 1 1 822 . 9 1 1 A 61 61 MET N N 60 116.814 120.548 -3.734 1 1 823 . 9 1 1 A 62 62 SER H H 61 8.401 8.245 0.156 1 1 824 . 9 1 1 A 62 62 SER HA H 61 4.132 4.092 0.040 1 1 827 . 9 1 1 A 62 62 SER C C 61 177.255 177.130 0.125 1 1 828 . 9 1 1 A 62 62 SER CA C 61 61.559 61.417 0.142 1 1 829 . 9 1 1 A 62 62 SER CB C 61 62.430 62.956 -0.526 1 1 830 . 9 1 1 A 62 62 SER N N 61 114.109 115.669 -1.560 1 1 831 . 9 1 1 A 63 63 GLU H H 62 8.014 8.143 -0.129 1 1 832 . 9 1 1 A 63 63 GLU HA H 62 4.016 3.972 0.044 1 1 837 . 9 1 1 A 63 63 GLU C C 62 178.327 179.015 -0.688 1 1 838 . 9 1 1 A 63 63 GLU CA C 62 58.787 59.544 -0.757 1 1 839 . 9 1 1 A 63 63 GLU CB C 62 29.814 29.265 0.549 1 1 841 . 9 1 1 A 63 63 GLU N N 62 122.806 121.069 1.737 1 1 842 . 9 1 1 A 64 64 LEU H H 63 8.254 8.171 0.083 1 1 843 . 9 1 1 A 64 64 LEU HA H 63 3.932 3.967 -0.035 1 1 853 . 9 1 1 A 64 64 LEU C C 63 178.029 178.552 -0.523 1 1 854 . 9 1 1 A 64 64 LEU CA C 63 57.986 58.333 -0.347 1 1 855 . 9 1 1 A 64 64 LEU CB C 63 41.377 41.871 -0.494 1 1 859 . 9 1 1 A 64 64 LEU N N 63 120.526 121.873 -1.347 1 1 860 . 9 1 1 A 65 65 ILE H H 64 8.415 8.366 0.049 1 1 861 . 9 1 1 A 65 65 ILE HA H 64 3.377 3.638 -0.261 1 1 871 . 9 1 1 A 65 65 ILE C C 64 177.078 178.060 -0.982 1 1 872 . 9 1 1 A 65 65 ILE CA C 64 66.699 66.327 0.372 1 1 873 . 9 1 1 A 65 65 ILE CB C 64 38.128 37.743 0.385 1 1 877 . 9 1 1 A 65 65 ILE N N 64 118.349 119.997 -1.648 1 1 878 . 9 1 1 A 66 66 LYS H H 65 7.366 7.853 -0.487 1 1 879 . 9 1 1 A 66 66 LYS HA H 65 3.696 4.085 -0.389 1 1 888 . 9 1 1 A 66 66 LYS C C 65 179.260 178.988 0.272 1 1 889 . 9 1 1 A 66 66 LYS CA C 65 60.593 59.531 1.062 1 1 890 . 9 1 1 A 66 66 LYS CB C 65 32.421 32.825 -0.404 1 1 894 . 9 1 1 A 66 66 LYS N N 65 118.334 118.627 -0.293 1 1 895 . 9 1 1 A 67 67 ILE H H 66 8.179 7.982 0.197 1 1 896 . 9 1 1 A 67 67 ILE HA H 66 3.546 3.652 -0.106 1 1 906 . 9 1 1 A 67 67 ILE C C 66 178.784 177.670 1.114 1 1 907 . 9 1 1 A 67 67 ILE CA C 66 65.488 65.262 0.226 1 1 908 . 9 1 1 A 67 67 ILE CB C 66 38.593 37.764 0.829 1 1 912 . 9 1 1 A 67 67 ILE N N 66 119.791 119.615 0.176 1 1 913 . 9 1 1 A 68 68 ILE H H 67 8.279 8.452 -0.173 1 1 914 . 9 1 1 A 68 68 ILE HA H 67 3.391 3.456 -0.065 1 1 924 . 9 1 1 A 68 68 ILE C C 67 177.403 177.880 -0.477 1 1 925 . 9 1 1 A 68 68 ILE CA C 67 63.144 65.147 -2.003 1 1 926 . 9 1 1 A 68 68 ILE CB C 67 35.269 37.687 -2.418 1 1 930 . 9 1 1 A 68 68 ILE N N 67 120.267 120.401 -0.134 1 1 931 . 9 1 1 A 69 69 ARG H H 68 8.454 8.188 0.266 1 1 932 . 9 1 1 A 69 69 ARG HA H 68 2.966 3.308 -0.342 1 1 939 . 9 1 1 A 69 69 ARG C C 68 178.385 178.056 0.329 1 1 940 . 9 1 1 A 69 69 ARG CA C 68 60.642 58.437 2.205 1 1 941 . 9 1 1 A 69 69 ARG CB C 68 30.442 30.000 0.442 1 1 944 . 9 1 1 A 69 69 ARG N N 68 118.881 120.139 -1.258 1 1 945 . 9 1 1 A 70 70 ARG H H 69 7.492 7.909 -0.417 1 1 946 . 9 1 1 A 70 70 ARG HA H 69 4.164 4.046 0.118 1 1 954 . 9 1 1 A 70 70 ARG C C 69 180.253 178.649 1.604 1 1 955 . 9 1 1 A 70 70 ARG CA C 69 58.510 59.434 -0.924 1 1 956 . 9 1 1 A 70 70 ARG CB C 69 29.587 29.738 -0.151 1 1 960 . 9 1 1 A 70 70 ARG N N 69 116.411 119.054 -2.643 1 1 962 . 9 1 1 A 71 71 ARG H H 70 8.086 8.105 -0.019 1 1 963 . 9 1 1 A 71 71 ARG HA H 70 4.025 4.043 -0.018 1 1 970 . 9 1 1 A 71 71 ARG C C 70 178.558 178.660 -0.102 1 1 971 . 9 1 1 A 71 71 ARG CA C 70 59.428 59.131 0.297 1 1 972 . 9 1 1 A 71 71 ARG CB C 70 30.235 30.278 -0.043 1 1 975 . 9 1 1 A 71 71 ARG N N 70 122.779 118.984 3.795 1 1 976 . 9 1 1 A 72 72 LEU H H 71 7.755 7.657 0.098 1 1 977 . 9 1 1 A 72 72 LEU HA H 71 4.081 4.092 -0.011 1 1 987 . 9 1 1 A 72 72 LEU C C 71 174.852 176.488 -1.636 1 1 988 . 9 1 1 A 72 72 LEU CA C 71 55.060 55.443 -0.383 1 1 989 . 9 1 1 A 72 72 LEU CB C 71 43.109 41.698 1.411 1 1 993 . 9 1 1 A 72 72 LEU N N 71 116.551 118.864 -2.313 1 1 994 . 9 1 1 A 73 73 GLN H H 72 7.740 7.613 0.127 1 1 995 . 9 1 1 A 73 73 GLN HA H 72 3.853 3.946 -0.093 1 1 1002 . 9 1 1 A 73 73 GLN C C 72 175.619 174.914 0.705 1 1 1003 . 9 1 1 A 73 73 GLN CA C 72 56.273 56.579 -0.306 1 1 1004 . 9 1 1 A 73 73 GLN CB C 72 25.939 26.362 -0.423 1 1 1007 . 9 1 1 A 73 73 GLN N N 72 114.737 117.829 -3.092 1 1 1009 . 9 1 1 A 74 74 LEU H H 73 7.525 7.905 -0.380 1 1 1010 . 9 1 1 A 74 74 LEU HA H 73 4.242 4.391 -0.149 1 1 1020 . 9 1 1 A 74 74 LEU C C 73 178.611 176.375 2.236 1 1 1021 . 9 1 1 A 74 74 LEU CA C 73 54.382 54.517 -0.135 1 1 1022 . 9 1 1 A 74 74 LEU CB C 73 41.995 42.282 -0.287 1 1 1026 . 9 1 1 A 74 74 LEU N N 73 114.861 120.778 -5.917 1 1 1027 . 9 1 1 A 75 75 ASN H H 74 8.970 8.513 0.457 1 1 1028 . 9 1 1 A 75 75 ASN HA H 74 4.694 4.983 -0.289 1 1 1033 . 9 1 1 A 75 75 ASN C C 74 176.527 176.204 0.323 1 1 1034 . 9 1 1 A 75 75 ASN CA C 74 52.686 50.842 1.844 1 1 1035 . 9 1 1 A 75 75 ASN CB C 74 39.583 41.322 -1.739 1 1 1037 . 9 1 1 A 75 75 ASN N N 74 121.274 119.468 1.806 1 1 1039 . 9 1 1 A 76 76 ALA H H 75 8.697 8.597 0.100 1 1 1040 . 9 1 1 A 76 76 ALA HA H 75 3.966 4.135 -0.169 1 1 1044 . 9 1 1 A 76 76 ALA C C 75 178.002 178.153 -0.151 1 1 1045 . 9 1 1 A 76 76 ALA CA C 75 54.797 54.085 0.712 1 1 1046 . 9 1 1 A 76 76 ALA CB C 75 18.669 18.504 0.165 1 1 1047 . 9 1 1 A 76 76 ALA N N 75 123.590 124.517 -0.927 1 1 1048 . 9 1 1 A 77 77 ASN H H 76 8.344 7.950 0.394 1 1 1049 . 9 1 1 A 77 77 ASN HA H 76 4.585 4.727 -0.142 1 1 1054 . 9 1 1 A 77 77 ASN C C 76 175.371 175.467 -0.096 1 1 1055 . 9 1 1 A 77 77 ASN CA C 76 53.183 54.535 -1.352 1 1 1056 . 9 1 1 A 77 77 ASN CB C 76 38.277 39.495 -1.218 1 1 1058 . 9 1 1 A 77 77 ASN N N 76 112.004 114.666 -2.662 1 1 1060 . 9 1 1 A 78 78 GLN H H 77 7.532 7.639 -0.107 1 1 1061 . 9 1 1 A 78 78 GLN HA H 77 4.281 4.622 -0.341 1 1 1068 . 9 1 1 A 78 78 GLN C C 77 175.001 174.970 0.031 1 1 1069 . 9 1 1 A 78 78 GLN CA C 77 55.875 55.444 0.431 1 1 1070 . 9 1 1 A 78 78 GLN CB C 77 30.227 29.956 0.271 1 1 1073 . 9 1 1 A 78 78 GLN N N 77 120.237 119.705 0.532 1 1 1075 . 9 1 1 A 79 79 ALA H H 78 8.732 8.650 0.082 1 1 1076 . 9 1 1 A 79 79 ALA HA H 78 4.183 4.979 -0.796 1 1 1080 . 9 1 1 A 79 79 ALA C C 78 176.367 176.524 -0.157 1 1 1081 . 9 1 1 A 79 79 ALA CA C 78 52.798 51.497 1.301 1 1 1082 . 9 1 1 A 79 79 ALA CB C 78 20.051 20.684 -0.633 1 1 1083 . 9 1 1 A 79 79 ALA N N 78 130.399 129.295 1.104 1 1 1084 . 9 1 1 A 80 80 PHE H H 79 7.603 8.478 -0.875 1 1 1085 . 9 1 1 A 80 80 PHE HA H 79 4.449 5.210 -0.761 1 1 1093 . 9 1 1 A 80 80 PHE C C 79 171.709 173.006 -1.297 1 1 1094 . 9 1 1 A 80 80 PHE CA C 79 59.101 57.117 1.984 1 1 1095 . 9 1 1 A 80 80 PHE CB C 79 42.282 42.611 -0.329 1 1 1099 . 9 1 1 A 80 80 PHE N N 79 118.988 122.393 -3.405 1 1 1100 . 9 1 1 A 81 81 PHE H H 80 8.507 9.089 -0.582 1 1 1101 . 9 1 1 A 81 81 PHE HA H 80 4.421 4.475 -0.054 1 1 1109 . 9 1 1 A 81 81 PHE C C 80 172.644 173.843 -1.199 1 1 1110 . 9 1 1 A 81 81 PHE CA C 80 56.711 55.891 0.820 1 1 1111 . 9 1 1 A 81 81 PHE CB C 80 41.880 42.769 -0.889 1 1 1115 . 9 1 1 A 81 81 PHE N N 80 126.042 124.779 1.263 1 1 1116 . 9 1 1 A 82 82 LEU H H 81 8.199 8.679 -0.480 1 1 1117 . 9 1 1 A 82 82 LEU HA H 81 4.883 4.879 0.004 1 1 1127 . 9 1 1 A 82 82 LEU C C 81 174.440 174.885 -0.445 1 1 1128 . 9 1 1 A 82 82 LEU CA C 81 53.153 54.109 -0.956 1 1 1129 . 9 1 1 A 82 82 LEU CB C 81 45.520 43.496 2.024 1 1 1133 . 9 1 1 A 82 82 LEU N N 81 121.512 125.652 -4.140 1 1 1134 . 9 1 1 A 83 83 LEU H H 82 9.349 9.766 -0.417 1 1 1135 . 9 1 1 A 83 83 LEU HA H 82 4.810 4.658 0.152 1 1 1145 . 9 1 1 A 83 83 LEU C C 82 177.075 175.955 1.120 1 1 1146 . 9 1 1 A 83 83 LEU CA C 82 54.122 54.075 0.047 1 1 1147 . 9 1 1 A 83 83 LEU CB C 82 43.394 41.371 2.023 1 1 1151 . 9 1 1 A 83 83 LEU N N 82 125.253 129.099 -3.846 1 1 1152 . 9 1 1 A 84 84 VAL H H 83 8.681 9.102 -0.421 1 1 1153 . 9 1 1 A 84 84 VAL HA H 83 4.411 4.044 0.367 1 1 1161 . 9 1 1 A 84 84 VAL C C 83 175.797 176.184 -0.387 1 1 1162 . 9 1 1 A 84 84 VAL CA C 83 61.630 62.107 -0.477 1 1 1163 . 9 1 1 A 84 84 VAL CB C 83 33.647 31.152 2.495 1 1 1166 . 9 1 1 A 84 84 VAL N N 83 123.543 125.594 -2.051 1 1 1167 . 9 1 1 A 85 85 ASN H H 84 9.622 9.100 0.522 1 1 1168 . 9 1 1 A 85 85 ASN HA H 84 4.399 4.662 -0.263 1 1 1173 . 9 1 1 A 85 85 ASN C C 84 175.042 174.979 0.063 1 1 1174 . 9 1 1 A 85 85 ASN CA C 84 54.610 54.172 0.438 1 1 1175 . 9 1 1 A 85 85 ASN CB C 84 37.927 36.893 1.034 1 1 1177 . 9 1 1 A 85 85 ASN N N 84 125.848 127.254 -1.406 1 1 1179 . 9 1 1 A 86 86 GLY H H 85 8.551 8.263 0.288 1 1 1180 . 9 1 1 A 86 86 GLY HA2 H 85 3.368 3.881 -0.513 1 1 1181 . 9 1 1 A 86 86 GLY HA3 H 85 4.064 3.904 0.160 1 1 1182 . 9 1 1 A 86 86 GLY C C 85 173.524 173.672 -0.148 1 1 1183 . 9 1 1 A 86 86 GLY CA C 85 45.588 45.327 0.261 1 1 1184 . 9 1 1 A 86 86 GLY N N 85 101.093 104.960 -3.867 1 1 1185 . 9 1 1 A 87 87 HIS H H 86 7.906 7.443 0.463 1 1 1186 . 9 1 1 A 87 87 HIS HA H 86 5.003 5.229 -0.226 1 1 1191 . 9 1 1 A 87 87 HIS C C 86 173.910 174.301 -0.391 1 1 1192 . 9 1 1 A 87 87 HIS CA C 86 54.213 53.653 0.560 1 1 1193 . 9 1 1 A 87 87 HIS CB C 86 31.482 32.855 -1.373 1 1 1196 . 9 1 1 A 87 87 HIS N N 86 117.253 115.160 2.093 1 1 1197 . 9 1 1 A 88 88 SER H H 87 8.846 8.944 -0.098 1 1 1198 . 9 1 1 A 88 88 SER HA H 87 4.702 4.463 0.239 1 1 1201 . 9 1 1 A 88 88 SER C C 87 175.739 175.175 0.564 1 1 1202 . 9 1 1 A 88 88 SER CA C 87 58.245 58.104 0.141 1 1 1203 . 9 1 1 A 88 88 SER CB C 87 63.764 64.899 -1.135 1 1 1204 . 9 1 1 A 88 88 SER N N 87 117.469 115.259 2.210 1 1 1205 . 9 1 1 A 89 89 MET H H 88 9.174 8.459 0.715 1 1 1206 . 9 1 1 A 89 89 MET HA H 88 4.820 4.931 -0.111 1 1 1214 . 9 1 1 A 89 89 MET C C 88 176.294 177.159 -0.865 1 1 1215 . 9 1 1 A 89 89 MET CA C 88 54.853 53.999 0.854 1 1 1216 . 9 1 1 A 89 89 MET CB C 88 33.183 32.251 0.932 1 1 1219 . 9 1 1 A 89 89 MET N N 88 125.111 118.344 6.767 1 1 1220 . 9 1 1 A 90 90 VAL H H 89 8.217 7.867 0.350 1 1 1221 . 9 1 1 A 90 90 VAL HA H 89 4.063 3.713 0.350 1 1 1229 . 9 1 1 A 90 90 VAL C C 89 176.249 176.457 -0.208 1 1 1230 . 9 1 1 A 90 90 VAL CA C 89 63.377 65.823 -2.446 1 1 1231 . 9 1 1 A 90 90 VAL CB C 89 32.473 31.844 0.629 1 1 1234 . 9 1 1 A 90 90 VAL N N 89 120.477 121.547 -1.070 1 1 1235 . 9 1 1 A 91 91 SER H H 90 8.356 8.040 0.316 1 1 1236 . 9 1 1 A 91 91 SER HA H 90 4.614 4.786 -0.172 1 1 1239 . 9 1 1 A 91 91 SER C C 90 175.841 172.550 3.291 1 1 1240 . 9 1 1 A 91 91 SER CA C 90 57.860 56.595 1.265 1 1 1241 . 9 1 1 A 91 91 SER CB C 90 63.398 64.497 -1.099 1 1 1242 . 9 1 1 A 91 91 SER N N 90 116.676 113.386 3.290 1 1 1243 . 9 1 1 A 92 92 VAL H H 91 8.158 8.925 -0.767 1 1 1244 . 9 1 1 A 92 92 VAL HA H 91 4.245 4.756 -0.511 1 1 1252 . 9 1 1 A 92 92 VAL C C 91 175.856 175.502 0.354 1 1 1253 . 9 1 1 A 92 92 VAL CA C 91 63.121 61.433 1.688 1 1 1254 . 9 1 1 A 92 92 VAL CB C 91 31.872 33.010 -1.138 1 1 1257 . 9 1 1 A 92 92 VAL N N 91 119.994 127.873 -7.879 1 1 1258 . 9 1 1 A 93 93 SER H H 92 8.368 8.867 -0.499 1 1 1259 . 9 1 1 A 93 93 SER HA H 92 4.581 4.785 -0.204 1 1 1262 . 9 1 1 A 93 93 SER C C 92 174.154 173.566 0.588 1 1 1263 . 9 1 1 A 93 93 SER CA C 92 57.706 57.301 0.405 1 1 1264 . 9 1 1 A 93 93 SER CB C 92 63.126 64.185 -1.059 1 1 1265 . 9 1 1 A 93 93 SER N N 92 116.504 126.511 -10.007 1 1 1266 . 9 1 1 A 94 94 THR H H 93 7.427 7.638 -0.211 1 1 1267 . 9 1 1 A 94 94 THR HA H 93 4.464 4.668 -0.204 1 1 1272 . 9 1 1 A 94 94 THR CA C 93 61.032 59.133 1.899 1 1 1273 . 9 1 1 A 94 94 THR CB C 93 70.505 71.483 -0.978 1 1 1275 . 9 1 1 A 94 94 THR N N 93 119.172 116.264 2.908 1 1 1276 . 9 1 1 A 95 95 PRO HA H 94 4.426 4.695 -0.269 1 1 1283 . 9 1 1 A 95 95 PRO C C 94 178.692 178.009 0.683 1 1 1284 . 9 1 1 A 95 95 PRO CA C 94 62.921 62.688 0.233 1 1 1285 . 9 1 1 A 95 95 PRO CB C 94 32.774 32.449 0.325 1 1 1288 . 9 1 1 A 96 96 ILE H H 95 9.324 9.024 0.300 1 1 1289 . 9 1 1 A 96 96 ILE HA H 95 3.956 3.986 -0.030 1 1 1299 . 9 1 1 A 96 96 ILE C C 95 176.415 176.836 -0.421 1 1 1300 . 9 1 1 A 96 96 ILE CA C 95 63.880 63.481 0.399 1 1 1301 . 9 1 1 A 96 96 ILE CB C 95 38.055 37.975 0.080 1 1 1305 . 9 1 1 A 96 96 ILE N N 95 123.862 125.527 -1.665 1 1 1306 . 9 1 1 A 97 97 SER H H 96 8.211 8.305 -0.094 1 1 1307 . 9 1 1 A 97 97 SER HA H 96 3.978 4.054 -0.076 1 1 1310 . 9 1 1 A 97 97 SER C C 96 176.494 177.313 -0.819 1 1 1311 . 9 1 1 A 97 97 SER CA C 96 61.576 61.510 0.066 1 1 1312 . 9 1 1 A 97 97 SER CB C 96 61.262 62.307 -1.045 1 1 1313 . 9 1 1 A 97 97 SER N N 96 116.529 117.368 -0.839 1 1 1314 . 9 1 1 A 98 98 GLU H H 97 7.329 8.052 -0.723 1 1 1315 . 9 1 1 A 98 98 GLU HA H 97 4.290 4.235 0.055 1 1 1320 . 9 1 1 A 98 98 GLU C C 97 179.288 178.829 0.459 1 1 1321 . 9 1 1 A 98 98 GLU CA C 97 58.705 59.139 -0.434 1 1 1322 . 9 1 1 A 98 98 GLU CB C 97 29.791 30.255 -0.464 1 1 1324 . 9 1 1 A 98 98 GLU N N 97 122.955 122.801 0.154 1 1 1325 . 9 1 1 A 99 99 VAL H H 98 7.386 8.521 -1.135 1 1 1326 . 9 1 1 A 99 99 VAL HA H 98 3.815 3.761 0.054 1 1 1334 . 9 1 1 A 99 99 VAL C C 98 177.662 178.069 -0.407 1 1 1335 . 9 1 1 A 99 99 VAL CA C 98 65.774 66.127 -0.353 1 1 1336 . 9 1 1 A 99 99 VAL CB C 98 32.047 31.699 0.348 1 1 1339 . 9 1 1 A 99 99 VAL N N 98 120.888 120.566 0.322 1 1 1340 . 9 1 1 A 100 100 TYR H H 99 8.984 7.663 1.321 1 1 1341 . 9 1 1 A 100 100 TYR HA H 99 4.013 4.289 -0.276 1 1 1348 . 9 1 1 A 100 100 TYR C C 99 176.355 177.995 -1.640 1 1 1349 . 9 1 1 A 100 100 TYR CA C 99 62.118 60.722 1.396 1 1 1350 . 9 1 1 A 100 100 TYR CB C 99 38.921 38.624 0.297 1 1 1353 . 9 1 1 A 100 100 TYR N N 99 118.874 120.845 -1.971 1 1 1354 . 9 1 1 A 101 101 GLU H H 100 7.433 8.811 -1.378 1 1 1355 . 9 1 1 A 101 101 GLU HA H 100 3.833 4.241 -0.408 1 1 1360 . 9 1 1 A 101 101 GLU C C 100 177.674 176.825 0.849 1 1 1361 . 9 1 1 A 101 101 GLU CA C 100 58.895 58.006 0.889 1 1 1362 . 9 1 1 A 101 101 GLU CB C 100 29.577 28.782 0.795 1 1 1364 . 9 1 1 A 101 101 GLU N N 100 114.383 118.213 -3.830 1 1 1365 . 9 1 1 A 102 102 SER H H 101 7.423 7.903 -0.480 1 1 1366 . 9 1 1 A 102 102 SER HA H 101 4.552 4.709 -0.157 1 1 1369 . 9 1 1 A 102 102 SER C C 101 176.554 174.676 1.878 1 1 1370 . 9 1 1 A 102 102 SER CA C 101 60.200 58.417 1.783 1 1 1371 . 9 1 1 A 102 102 SER CB C 101 64.828 64.143 0.685 1 1 1372 . 9 1 1 A 102 102 SER N N 101 108.722 115.260 -6.538 1 1 1373 . 9 1 1 A 103 103 GLU H H 102 8.488 7.754 0.734 1 1 1374 . 9 1 1 A 103 103 GLU HA H 102 4.752 4.433 0.319 1 1 1379 . 9 1 1 A 103 103 GLU C C 102 176.653 176.345 0.308 1 1 1380 . 9 1 1 A 103 103 GLU CA C 102 55.464 57.304 -1.840 1 1 1381 . 9 1 1 A 103 103 GLU CB C 102 30.611 32.168 -1.557 1 1 1383 . 9 1 1 A 103 103 GLU N N 102 116.116 118.364 -2.248 1 1 1384 . 9 1 1 A 104 104 ARG H H 103 7.511 7.705 -0.194 1 1 1385 . 9 1 1 A 104 104 ARG HA H 103 4.241 4.175 0.066 1 1 1392 . 9 1 1 A 104 104 ARG C C 103 174.634 175.521 -0.887 1 1 1393 . 9 1 1 A 104 104 ARG CA C 103 56.926 56.139 0.787 1 1 1394 . 9 1 1 A 104 104 ARG CB C 103 29.713 29.861 -0.148 1 1 1397 . 9 1 1 A 104 104 ARG N N 103 117.180 118.132 -0.952 1 1 1398 . 9 1 1 A 105 105 ASP H H 104 9.069 8.869 0.200 1 1 1399 . 9 1 1 A 105 105 ASP HA H 104 4.774 5.079 -0.305 1 1 1402 . 9 1 1 A 105 105 ASP C C 104 177.460 176.889 0.571 1 1 1403 . 9 1 1 A 105 105 ASP CA C 104 53.852 52.466 1.386 1 1 1404 . 9 1 1 A 105 105 ASP CB C 104 43.424 43.475 -0.051 1 1 1405 . 9 1 1 A 105 105 ASP N N 104 123.349 122.199 1.150 1 1 1406 . 9 1 1 A 106 106 GLU H H 105 8.982 8.992 -0.010 1 1 1407 . 9 1 1 A 106 106 GLU HA H 105 4.199 4.002 0.197 1 1 1412 . 9 1 1 A 106 106 GLU C C 105 177.398 178.082 -0.684 1 1 1413 . 9 1 1 A 106 106 GLU CA C 105 59.413 60.006 -0.593 1 1 1414 . 9 1 1 A 106 106 GLU CB C 105 29.983 29.583 0.400 1 1 1416 . 9 1 1 A 106 106 GLU N N 105 125.197 120.838 4.359 1 1 1417 . 9 1 1 A 107 107 ASP H H 106 9.873 7.824 2.049 1 1 1418 . 9 1 1 A 107 107 ASP HA H 106 4.211 4.219 -0.008 1 1 1421 . 9 1 1 A 107 107 ASP C C 106 175.775 176.750 -0.975 1 1 1422 . 9 1 1 A 107 107 ASP CA C 106 54.698 54.968 -0.270 1 1 1423 . 9 1 1 A 107 107 ASP CB C 106 40.187 41.317 -1.130 1 1 1424 . 9 1 1 A 107 107 ASP N N 106 118.717 116.884 1.833 1 1 1425 . 9 1 1 A 108 108 GLY H H 107 7.971 8.086 -0.115 1 1 1426 . 9 1 1 A 108 108 GLY HA2 H 107 3.431 3.892 -0.461 1 1 1427 . 9 1 1 A 108 108 GLY HA3 H 107 4.526 3.944 0.582 1 1 1428 . 9 1 1 A 108 108 GLY C C 107 175.138 174.253 0.885 1 1 1429 . 9 1 1 A 108 108 GLY CA C 107 45.029 45.527 -0.498 1 1 1430 . 9 1 1 A 108 108 GLY N N 107 105.017 108.836 -3.819 1 1 1431 . 9 1 1 A 109 109 PHE H H 108 9.799 7.860 1.939 1 1 1432 . 9 1 1 A 109 109 PHE HA H 108 4.607 4.746 -0.139 1 1 1440 . 9 1 1 A 109 109 PHE C C 108 175.171 175.200 -0.029 1 1 1441 . 9 1 1 A 109 109 PHE CA C 108 60.222 57.364 2.858 1 1 1442 . 9 1 1 A 109 109 PHE CB C 108 40.433 41.345 -0.912 1 1 1446 . 9 1 1 A 109 109 PHE N N 108 123.309 118.504 4.805 1 1 1447 . 9 1 1 A 110 110 LEU H H 109 8.061 8.639 -0.578 1 1 1448 . 9 1 1 A 110 110 LEU HA H 109 5.022 4.516 0.506 1 1 1458 . 9 1 1 A 110 110 LEU C C 109 174.033 175.945 -1.912 1 1 1459 . 9 1 1 A 110 110 LEU CA C 109 53.539 55.058 -1.519 1 1 1460 . 9 1 1 A 110 110 LEU CB C 109 45.284 42.550 2.734 1 1 1464 . 9 1 1 A 110 110 LEU N N 109 119.999 125.243 -5.244 1 1 1465 . 9 1 1 A 111 111 TYR H H 110 9.363 9.319 0.044 1 1 1466 . 9 1 1 A 111 111 TYR HA H 110 4.906 5.105 -0.199 1 1 1473 . 9 1 1 A 111 111 TYR C C 110 176.538 174.985 1.553 1 1 1474 . 9 1 1 A 111 111 TYR CA C 110 59.335 56.695 2.640 1 1 1475 . 9 1 1 A 111 111 TYR CB C 110 39.485 39.758 -0.273 1 1 1478 . 9 1 1 A 111 111 TYR N N 110 126.322 124.069 2.253 1 1 1479 . 9 1 1 A 112 112 MET H H 111 9.496 8.455 1.041 1 1 1480 . 9 1 1 A 112 112 MET HA H 111 5.522 5.195 0.327 1 1 1488 . 9 1 1 A 112 112 MET C C 111 175.676 174.234 1.442 1 1 1489 . 9 1 1 A 112 112 MET CA C 111 54.216 54.426 -0.210 1 1 1490 . 9 1 1 A 112 112 MET CB C 111 36.821 37.240 -0.419 1 1 1493 . 9 1 1 A 112 112 MET N N 111 119.003 123.660 -4.657 1 1 1494 . 9 1 1 A 113 113 VAL H H 112 8.749 8.697 0.052 1 1 1495 . 9 1 1 A 113 113 VAL HA H 112 5.967 5.017 0.950 1 1 1503 . 9 1 1 A 113 113 VAL C C 112 174.893 175.004 -0.111 1 1 1504 . 9 1 1 A 113 113 VAL CA C 112 58.896 61.190 -2.294 1 1 1505 . 9 1 1 A 113 113 VAL CB C 112 36.149 34.340 1.809 1 1 1508 . 9 1 1 A 113 113 VAL N N 112 119.658 121.759 -2.101 1 1 1509 . 9 1 1 A 114 114 TYR H H 113 8.210 8.547 -0.337 1 1 1510 . 9 1 1 A 114 114 TYR HA H 113 6.141 6.083 0.058 1 1 1517 . 9 1 1 A 114 114 TYR C C 113 173.353 173.637 -0.284 1 1 1518 . 9 1 1 A 114 114 TYR CA C 113 54.161 54.930 -0.769 1 1 1519 . 9 1 1 A 114 114 TYR CB C 113 43.538 42.233 1.305 1 1 1522 . 9 1 1 A 114 114 TYR N N 113 118.947 122.417 -3.470 1 1 1523 . 9 1 1 A 115 115 ALA H H 114 8.483 8.790 -0.307 1 1 1524 . 9 1 1 A 115 115 ALA HA H 114 4.762 4.691 0.071 1 1 1528 . 9 1 1 A 115 115 ALA C C 114 176.033 177.307 -1.274 1 1 1529 . 9 1 1 A 115 115 ALA CA C 114 51.223 51.188 0.035 1 1 1530 . 9 1 1 A 115 115 ALA CB C 114 24.521 22.741 1.780 1 1 1531 . 9 1 1 A 115 115 ALA N N 114 119.557 121.482 -1.925 1 1 1532 . 9 1 1 A 116 116 SER H H 115 9.835 8.613 1.222 1 1 1533 . 9 1 1 A 116 116 SER HA H 115 4.497 5.125 -0.628 1 1 1536 . 9 1 1 A 116 116 SER C C 115 172.664 173.823 -1.159 1 1 1537 . 9 1 1 A 116 116 SER CA C 115 58.669 57.988 0.681 1 1 1538 . 9 1 1 A 116 116 SER CB C 115 63.570 63.671 -0.101 1 1 1539 . 9 1 1 A 116 116 SER N N 115 114.435 114.597 -0.162 1 1 1540 . 9 1 1 A 117 117 GLN H H 116 7.180 7.563 -0.383 1 1 1541 . 9 1 1 A 117 117 GLN HA H 116 4.460 4.974 -0.514 1 1 1548 . 9 1 1 A 117 117 GLN C C 116 172.901 175.160 -2.259 1 1 1549 . 9 1 1 A 117 117 GLN CA C 116 53.974 55.388 -1.414 1 1 1550 . 9 1 1 A 117 117 GLN CB C 116 32.192 32.435 -0.243 1 1 1553 . 9 1 1 A 117 117 GLN N N 116 116.449 120.666 -4.217 1 1 1555 . 9 1 1 A 118 118 GLU H H 117 7.878 8.783 -0.905 1 1 1556 . 9 1 1 A 118 118 GLU HA H 117 3.259 4.651 -1.392 1 1 1561 . 9 1 1 A 118 118 GLU C C 117 175.233 176.800 -1.567 1 1 1562 . 9 1 1 A 118 118 GLU CA C 117 56.890 56.143 0.747 1 1 1563 . 9 1 1 A 118 118 GLU CB C 117 30.325 30.245 0.080 1 1 1565 . 9 1 1 A 118 118 GLU N N 117 117.687 123.470 -5.783 1 1 1566 . 9 1 1 A 119 119 THR H H 118 6.968 7.680 -0.712 1 1 1567 . 9 1 1 A 119 119 THR HA H 118 4.082 4.514 -0.432 1 1 1572 . 9 1 1 A 119 119 THR C C 118 173.134 174.847 -1.713 1 1 1573 . 9 1 1 A 119 119 THR CA C 118 60.123 59.792 0.331 1 1 1574 . 9 1 1 A 119 119 THR CB C 118 70.147 68.490 1.657 1 1 1576 . 9 1 1 A 119 119 THR N N 118 109.548 108.239 1.309 1 1 1577 . 9 1 1 A 120 120 PHE H H 119 8.138 7.586 0.552 1 1 1578 . 9 1 1 A 120 120 PHE HA H 119 4.436 4.463 -0.027 1 1 1586 . 9 1 1 A 120 120 PHE C C 119 174.902 177.039 -2.137 1 1 1587 . 9 1 1 A 120 120 PHE CA C 119 56.750 57.616 -0.866 1 1 1588 . 9 1 1 A 120 120 PHE CB C 119 39.411 39.403 0.008 1 1 1592 . 9 1 1 A 120 120 PHE N N 119 121.777 121.182 0.595 1 1 1607 . 9 2 2 B 2 2 SER H H 332 8.471 8.730 -0.259 1 1 1608 . 9 2 2 B 2 2 SER HA H 332 4.484 4.144 0.340 1 1 1611 . 9 2 2 B 2 2 SER C C 332 174.962 174.710 0.252 1 1 1612 . 9 2 2 B 2 2 SER CA C 332 88.436 60.819 27.617 1 1 1613 . 9 2 2 B 2 2 SER CB C 332 93.927 63.421 30.506 1 1 1614 . 9 2 2 B 2 2 SER N N 332 147.261 116.988 30.273 1 1 1615 . 9 2 2 B 3 3 GLY H H 333 8.601 7.471 1.130 1 1 1616 . 9 2 2 B 3 3 GLY HA2 H 333 4.022 4.130 -0.108 1 1 1617 . 9 2 2 B 3 3 GLY HA3 H 333 4.022 4.130 -0.108 1 1 1618 . 9 2 2 B 3 3 GLY C C 333 174.774 173.389 1.385 1 1 1619 . 9 2 2 B 3 3 GLY CA C 333 75.465 45.622 29.843 1 1 1620 . 9 2 2 B 3 3 GLY N N 333 141.077 107.401 33.676 1 1 1621 . 9 2 2 B 4 4 GLY H H 334 8.372 8.127 0.245 1 1 1622 . 9 2 2 B 4 4 GLY HA2 H 334 3.980 4.166 -0.186 1 1 1623 . 9 2 2 B 4 4 GLY HA3 H 334 3.980 4.168 -0.188 1 1 1624 . 9 2 2 B 4 4 GLY C C 334 174.758 171.981 2.777 1 1 1625 . 9 2 2 B 4 4 GLY CA C 334 75.674 45.087 30.587 1 1 1626 . 9 2 2 B 4 4 GLY N N 334 138.894 109.305 29.589 1 1 1627 . 9 2 2 B 5 5 ASP H H 335 8.429 8.599 -0.170 1 1 1628 . 9 2 2 B 5 5 ASP HA H 335 4.610 5.026 -0.416 1 1 1631 . 9 2 2 B 5 5 ASP CA C 335 85.066 52.858 32.208 1 1 1632 . 9 2 2 B 5 5 ASP CB C 335 71.191 39.841 31.350 1 1 1633 . 9 2 2 B 5 5 ASP N N 335 149.637 120.285 29.352 1 1 1634 . 9 2 2 B 6 6 ASP H H 336 8.244 8.374 -0.130 1 1 1635 . 9 2 2 B 6 6 ASP HA H 336 4.559 4.324 0.235 1 1 1638 . 9 2 2 B 6 6 ASP C C 336 175.432 175.643 -0.211 1 1 1639 . 9 2 2 B 6 6 ASP CA C 336 84.708 57.912 26.796 1 1 1640 . 9 2 2 B 6 6 ASP CB C 336 71.552 41.330 30.222 1 1 1641 . 9 2 2 B 6 6 ASP N N 336 148.885 125.512 23.373 1 1 1642 . 9 2 2 B 7 7 ASP H H 337 7.803 7.898 -0.095 1 1 1643 . 9 2 2 B 7 7 ASP HA H 337 4.655 4.899 -0.244 1 1 1646 . 9 2 2 B 7 7 ASP C C 337 175.362 176.313 -0.951 1 1 1647 . 9 2 2 B 7 7 ASP CA C 337 83.670 52.525 31.145 1 1 1648 . 9 2 2 B 7 7 ASP CB C 337 71.933 43.810 28.123 1 1 1649 . 9 2 2 B 7 7 ASP N N 337 149.563 113.507 36.056 1 1 1650 . 9 2 2 B 8 8 TRP H H 338 8.472 8.453 0.019 1 1 1651 . 9 2 2 B 8 8 TRP HA H 338 4.174 4.344 -0.170 1 1 1660 . 9 2 2 B 8 8 TRP C C 338 175.959 176.056 -0.097 1 1 1661 . 9 2 2 B 8 8 TRP CA C 338 87.020 59.746 27.274 1 1 1662 . 9 2 2 B 8 8 TRP CB C 338 61.223 29.637 31.586 1 1 1668 . 9 2 2 B 8 8 TRP N N 338 150.172 124.036 26.136 1 1 1670 . 9 2 2 B 9 9 THR H H 339 7.994 7.589 0.405 1 1 1671 . 9 2 2 B 9 9 THR HA H 339 4.533 4.168 0.365 1 1 1676 . 9 2 2 B 9 9 THR C C 339 174.035 172.026 2.009 1 1 1677 . 9 2 2 B 9 9 THR CA C 339 92.659 60.124 32.535 1 1 1678 . 9 2 2 B 9 9 THR CB C 339 99.436 69.580 29.856 1 1 1680 . 9 2 2 B 9 9 THR N N 339 149.503 109.850 39.653 1 1 1681 . 9 2 2 B 10 10 HIS H H 340 9.463 8.515 0.948 1 1 1682 . 9 2 2 B 10 10 HIS HA H 340 4.677 5.036 -0.359 1 1 1687 . 9 2 2 B 10 10 HIS C C 340 175.606 174.224 1.382 1 1 1688 . 9 2 2 B 10 10 HIS CA C 340 87.024 54.539 32.485 1 1 1689 . 9 2 2 B 10 10 HIS CB C 340 61.368 31.958 29.410 1 1 1692 . 9 2 2 B 10 10 HIS N N 340 159.135 119.768 39.367 1 1 1693 . 9 2 2 B 11 11 LEU H H 341 8.398 9.080 -0.682 1 1 1694 . 9 2 2 B 11 11 LEU HA H 341 4.848 4.729 0.119 1 1 1704 . 9 2 2 B 11 11 LEU C C 341 175.919 175.909 0.010 1 1 1705 . 9 2 2 B 11 11 LEU CA C 341 83.684 54.288 29.396 1 1 1706 . 9 2 2 B 11 11 LEU CB C 341 73.601 40.636 32.965 1 1 1710 . 9 2 2 B 11 11 LEU N N 341 153.300 126.183 27.117 1 1 1711 . 9 2 2 B 12 12 SER H H 342 8.382 8.653 -0.271 1 1 1712 . 9 2 2 B 12 12 SER HA H 342 4.652 4.765 -0.113 1 1 1715 . 9 2 2 B 12 12 SER C C 342 174.263 175.268 -1.005 1 1 1716 . 9 2 2 B 12 12 SER CA C 342 86.841 58.420 28.421 1 1 1717 . 9 2 2 B 12 12 SER CB C 342 95.113 63.856 31.257 1 1 1718 . 9 2 2 B 12 12 SER N N 342 144.018 122.316 21.702 1 1 1719 . 9 2 2 B 13 13 SER H H 343 8.937 9.016 -0.079 1 1 1720 . 9 2 2 B 13 13 SER HA H 343 4.291 4.439 -0.148 1 1 1723 . 9 2 2 B 13 13 SER C C 343 174.652 175.487 -0.835 1 1 1724 . 9 2 2 B 13 13 SER CA C 343 89.546 60.344 29.202 1 1 1725 . 9 2 2 B 13 13 SER CB C 343 93.470 63.143 30.327 1 1 1726 . 9 2 2 B 13 13 SER N N 343 148.575 119.400 29.175 1 1 1727 . 9 2 2 B 14 14 LYS H H 344 8.250 8.525 -0.275 1 1 1728 . 9 2 2 B 14 14 LYS HA H 344 4.319 4.115 0.204 1 1 1737 . 9 2 2 B 14 14 LYS C C 344 176.699 177.905 -1.206 1 1 1738 . 9 2 2 B 14 14 LYS CA C 344 86.716 58.935 27.781 1 1 1739 . 9 2 2 B 14 14 LYS CB C 344 62.831 32.515 30.316 1 1 1743 . 9 2 2 B 14 14 LYS N N 344 151.908 121.932 29.976 1 1 1744 . 9 2 2 B 15 15 GLU H H 345 8.256 7.865 0.391 1 1 1745 . 9 2 2 B 15 15 GLU HA H 345 4.240 4.309 -0.069 1 1 1750 . 9 2 2 B 15 15 GLU C C 345 176.152 176.310 -0.158 1 1 1751 . 9 2 2 B 15 15 GLU CA C 345 87.152 57.668 29.484 1 1 1752 . 9 2 2 B 15 15 GLU CB C 345 60.176 29.644 30.532 1 1 1754 . 9 2 2 B 15 15 GLU N N 345 150.679 118.017 32.662 1 1 1755 . 9 2 2 B 16 16 VAL H H 346 7.762 7.258 0.504 1 1 1756 . 9 2 2 B 16 16 VAL HA H 346 4.161 4.513 -0.352 1 1 1764 . 9 2 2 B 16 16 VAL C C 346 174.646 174.312 0.334 1 1 1765 . 9 2 2 B 16 16 VAL CA C 346 91.707 59.918 31.789 1 1 1766 . 9 2 2 B 16 16 VAL CB C 346 63.107 34.064 29.043 1 1 1769 . 9 2 2 B 16 16 VAL N N 346 146.718 114.573 32.145 1 1 9 . 10 1 1 A 2 2 MET H H 1 8.414 8.094 0.320 1 1 10 . 10 1 1 A 2 2 MET HA H 1 4.826 4.534 0.292 1 1 18 . 10 1 1 A 2 2 MET CA C 1 53.382 55.088 -1.706 1 1 19 . 10 1 1 A 2 2 MET CB C 1 32.478 32.135 0.343 1 1 22 . 10 1 1 A 2 2 MET N N 1 122.882 119.608 3.274 1 1 23 . 10 1 1 A 3 3 PRO HA H 2 4.425 4.338 0.087 1 1 30 . 10 1 1 A 3 3 PRO C C 2 176.847 177.101 -0.254 1 1 31 . 10 1 1 A 3 3 PRO CA C 2 63.386 65.492 -2.106 1 1 32 . 10 1 1 A 3 3 PRO CB C 2 32.077 31.584 0.493 1 1 35 . 10 1 1 A 4 4 SER H H 3 8.347 7.787 0.560 1 1 36 . 10 1 1 A 4 4 SER HA H 3 4.391 4.363 0.028 1 1 39 . 10 1 1 A 4 4 SER C C 3 174.643 173.871 0.772 1 1 40 . 10 1 1 A 4 4 SER CA C 3 58.336 58.833 -0.497 1 1 41 . 10 1 1 A 4 4 SER CB C 3 63.798 63.440 0.358 1 1 42 . 10 1 1 A 4 4 SER N N 3 115.234 113.450 1.784 1 1 43 . 10 1 1 A 5 5 GLU H H 4 8.472 8.866 -0.394 1 1 44 . 10 1 1 A 5 5 GLU HA H 4 4.297 4.862 -0.565 1 1 49 . 10 1 1 A 5 5 GLU C C 4 176.352 175.332 1.020 1 1 50 . 10 1 1 A 5 5 GLU CA C 4 56.572 54.262 2.310 1 1 51 . 10 1 1 A 5 5 GLU CB C 4 30.285 33.260 -2.975 1 1 53 . 10 1 1 A 5 5 GLU N N 4 123.045 122.094 0.951 1 1 54 . 10 1 1 A 6 6 LYS H H 5 8.214 8.264 -0.050 1 1 55 . 10 1 1 A 6 6 LYS HA H 5 4.500 4.434 0.066 1 1 64 . 10 1 1 A 6 6 LYS C C 5 177.243 175.807 1.436 1 1 65 . 10 1 1 A 6 6 LYS CA C 5 55.943 56.426 -0.483 1 1 66 . 10 1 1 A 6 6 LYS CB C 5 34.621 33.511 1.110 1 1 70 . 10 1 1 A 6 6 LYS N N 5 121.467 121.410 0.057 1 1 71 . 10 1 1 A 7 7 THR H H 6 8.431 8.288 0.143 1 1 72 . 10 1 1 A 7 7 THR HA H 6 4.383 4.986 -0.603 1 1 77 . 10 1 1 A 7 7 THR C C 6 175.360 175.981 -0.621 1 1 78 . 10 1 1 A 7 7 THR CA C 6 61.124 59.102 2.022 1 1 79 . 10 1 1 A 7 7 THR CB C 6 69.863 71.711 -1.848 1 1 81 . 10 1 1 A 7 7 THR N N 6 114.691 111.237 3.454 1 1 82 . 10 1 1 A 8 8 PHE H H 7 10.194 9.515 0.679 1 1 83 . 10 1 1 A 8 8 PHE HA H 7 3.904 4.261 -0.357 1 1 88 . 10 1 1 A 8 8 PHE C C 7 177.000 177.792 -0.792 1 1 89 . 10 1 1 A 8 8 PHE CA C 7 63.388 60.879 2.509 1 1 90 . 10 1 1 A 8 8 PHE CB C 7 39.586 38.865 0.721 1 1 92 . 10 1 1 A 8 8 PHE N N 7 124.861 123.082 1.779 1 1 93 . 10 1 1 A 9 9 LYS H H 8 8.707 8.365 0.342 1 1 94 . 10 1 1 A 9 9 LYS HA H 8 3.761 4.245 -0.484 1 1 103 . 10 1 1 A 9 9 LYS C C 8 177.496 178.962 -1.466 1 1 104 . 10 1 1 A 9 9 LYS CA C 8 59.945 59.391 0.554 1 1 105 . 10 1 1 A 9 9 LYS CB C 8 33.870 31.986 1.884 1 1 109 . 10 1 1 A 9 9 LYS N N 8 114.189 117.649 -3.460 1 1 110 . 10 1 1 A 10 10 GLN H H 9 7.284 8.134 -0.850 1 1 111 . 10 1 1 A 10 10 GLN HA H 9 4.113 4.140 -0.027 1 1 118 . 10 1 1 A 10 10 GLN C C 9 177.416 178.164 -0.748 1 1 119 . 10 1 1 A 10 10 GLN CA C 9 56.743 58.361 -1.618 1 1 120 . 10 1 1 A 10 10 GLN CB C 9 30.002 29.021 0.981 1 1 123 . 10 1 1 A 10 10 GLN N N 9 112.843 119.068 -6.225 1 1 125 . 10 1 1 A 11 11 ARG H H 10 7.889 8.423 -0.534 1 1 126 . 10 1 1 A 11 11 ARG HA H 10 4.255 3.969 0.286 1 1 133 . 10 1 1 A 11 11 ARG C C 10 175.059 176.646 -1.587 1 1 134 . 10 1 1 A 11 11 ARG CA C 10 57.018 59.599 -2.581 1 1 135 . 10 1 1 A 11 11 ARG CB C 10 31.628 30.328 1.300 1 1 138 . 10 1 1 A 11 11 ARG N N 10 117.567 120.906 -3.339 1 1 139 . 10 1 1 A 12 12 ARG H H 11 7.443 7.832 -0.389 1 1 140 . 10 1 1 A 12 12 ARG HA H 11 4.493 4.377 0.116 1 1 147 . 10 1 1 A 12 12 ARG CA C 11 54.172 56.657 -2.485 1 1 148 . 10 1 1 A 12 12 ARG CB C 11 32.857 30.681 2.176 1 1 151 . 10 1 1 A 12 12 ARG N N 11 122.786 120.142 2.644 1 1 152 . 10 1 1 A 13 13 SER HA H 12 4.403 4.496 -0.093 1 1 155 . 10 1 1 A 13 13 SER C C 12 174.222 175.477 -1.255 1 1 156 . 10 1 1 A 13 13 SER CA C 12 58.274 60.299 -2.025 1 1 157 . 10 1 1 A 13 13 SER CB C 12 64.821 63.304 1.517 1 1 158 . 10 1 1 A 14 14 PHE H H 13 9.239 9.148 0.091 1 1 159 . 10 1 1 A 14 14 PHE HA H 13 4.035 4.131 -0.096 1 1 165 . 10 1 1 A 14 14 PHE C C 13 176.023 176.865 -0.842 1 1 166 . 10 1 1 A 14 14 PHE CA C 13 62.790 62.749 0.041 1 1 167 . 10 1 1 A 14 14 PHE CB C 13 39.580 39.881 -0.301 1 1 169 . 10 1 1 A 14 14 PHE N N 13 123.729 127.078 -3.349 1 1 170 . 10 1 1 A 15 15 GLU H H 14 9.093 8.572 0.521 1 1 171 . 10 1 1 A 15 15 GLU HA H 14 3.813 3.898 -0.085 1 1 176 . 10 1 1 A 15 15 GLU C C 14 179.549 178.751 0.798 1 1 177 . 10 1 1 A 15 15 GLU CA C 14 60.444 60.189 0.255 1 1 178 . 10 1 1 A 15 15 GLU CB C 14 28.804 29.372 -0.568 1 1 180 . 10 1 1 A 15 15 GLU N N 14 115.336 117.633 -2.297 1 1 181 . 10 1 1 A 16 16 GLN H H 15 7.752 8.306 -0.554 1 1 182 . 10 1 1 A 16 16 GLN HA H 15 4.044 4.156 -0.112 1 1 189 . 10 1 1 A 16 16 GLN C C 15 177.931 178.052 -0.121 1 1 190 . 10 1 1 A 16 16 GLN CA C 15 58.486 59.011 -0.525 1 1 191 . 10 1 1 A 16 16 GLN CB C 15 29.393 28.569 0.824 1 1 194 . 10 1 1 A 16 16 GLN N N 15 119.145 119.660 -0.515 1 1 196 . 10 1 1 A 17 17 ARG H H 16 8.577 8.440 0.137 1 1 197 . 10 1 1 A 17 17 ARG HA H 16 4.280 4.265 0.015 1 1 202 . 10 1 1 A 17 17 ARG C C 16 177.128 179.254 -2.126 1 1 203 . 10 1 1 A 17 17 ARG CA C 16 61.442 58.832 2.610 1 1 204 . 10 1 1 A 17 17 ARG N N 16 121.288 120.336 0.952 1 1 205 . 10 1 1 A 18 18 VAL H H 17 8.329 7.810 0.519 1 1 206 . 10 1 1 A 18 18 VAL HA H 17 3.938 3.537 0.401 1 1 214 . 10 1 1 A 18 18 VAL C C 17 179.744 177.908 1.836 1 1 215 . 10 1 1 A 18 18 VAL CA C 17 65.441 66.103 -0.662 1 1 216 . 10 1 1 A 18 18 VAL CB C 17 32.080 31.625 0.455 1 1 219 . 10 1 1 A 18 18 VAL N N 17 116.752 120.068 -3.316 1 1 220 . 10 1 1 A 19 19 GLU H H 18 7.445 8.201 -0.756 1 1 221 . 10 1 1 A 19 19 GLU HA H 18 4.270 4.061 0.209 1 1 226 . 10 1 1 A 19 19 GLU C C 18 177.625 178.160 -0.535 1 1 227 . 10 1 1 A 19 19 GLU CA C 18 58.637 59.084 -0.447 1 1 228 . 10 1 1 A 19 19 GLU CB C 18 29.398 28.908 0.490 1 1 230 . 10 1 1 A 19 19 GLU N N 18 120.323 120.048 0.275 1 1 231 . 10 1 1 A 20 20 ASP H H 19 8.690 8.158 0.532 1 1 232 . 10 1 1 A 20 20 ASP HA H 19 4.514 4.345 0.169 1 1 235 . 10 1 1 A 20 20 ASP C C 19 179.877 178.006 1.871 1 1 236 . 10 1 1 A 20 20 ASP CA C 19 57.224 57.537 -0.313 1 1 237 . 10 1 1 A 20 20 ASP CB C 19 41.487 41.546 -0.059 1 1 238 . 10 1 1 A 20 20 ASP N N 19 120.313 120.561 -0.248 1 1 239 . 10 1 1 A 21 21 VAL H H 20 7.731 8.109 -0.378 1 1 240 . 10 1 1 A 21 21 VAL HA H 20 3.394 3.289 0.105 1 1 248 . 10 1 1 A 21 21 VAL C C 20 176.989 178.028 -1.039 1 1 249 . 10 1 1 A 21 21 VAL CA C 20 65.989 64.999 0.990 1 1 250 . 10 1 1 A 21 21 VAL CB C 20 31.291 30.829 0.462 1 1 253 . 10 1 1 A 21 21 VAL N N 20 119.119 118.295 0.824 1 1 254 . 10 1 1 A 22 22 ARG H H 21 8.313 8.071 0.242 1 1 255 . 10 1 1 A 22 22 ARG HA H 21 3.825 3.954 -0.129 1 1 263 . 10 1 1 A 22 22 ARG C C 21 180.178 178.743 1.435 1 1 264 . 10 1 1 A 22 22 ARG CA C 21 59.821 59.236 0.585 1 1 265 . 10 1 1 A 22 22 ARG CB C 21 30.164 29.920 0.244 1 1 269 . 10 1 1 A 22 22 ARG N N 21 120.772 121.599 -0.827 1 1 271 . 10 1 1 A 23 23 LEU H H 22 8.306 8.131 0.175 1 1 272 . 10 1 1 A 23 23 LEU HA H 22 4.076 3.933 0.143 1 1 282 . 10 1 1 A 23 23 LEU C C 22 180.221 178.897 1.324 1 1 283 . 10 1 1 A 23 23 LEU CA C 22 57.541 58.089 -0.548 1 1 284 . 10 1 1 A 23 23 LEU CB C 22 42.300 41.682 0.618 1 1 288 . 10 1 1 A 23 23 LEU N N 22 116.413 119.248 -2.835 1 1 289 . 10 1 1 A 24 24 ILE H H 23 7.864 7.759 0.105 1 1 290 . 10 1 1 A 24 24 ILE HA H 23 4.090 3.860 0.230 1 1 300 . 10 1 1 A 24 24 ILE C C 23 177.922 178.368 -0.446 1 1 301 . 10 1 1 A 24 24 ILE CA C 23 60.190 64.217 -4.027 1 1 302 . 10 1 1 A 24 24 ILE CB C 23 38.072 37.248 0.824 1 1 306 . 10 1 1 A 24 24 ILE N N 23 121.259 117.718 3.541 1 1 307 . 10 1 1 A 25 25 ARG H H 24 8.339 8.403 -0.064 1 1 308 . 10 1 1 A 25 25 ARG HA H 24 3.973 4.024 -0.051 1 1 316 . 10 1 1 A 25 25 ARG C C 24 178.479 178.028 0.451 1 1 317 . 10 1 1 A 25 25 ARG CA C 24 57.337 59.189 -1.852 1 1 318 . 10 1 1 A 25 25 ARG CB C 24 28.663 30.183 -1.520 1 1 322 . 10 1 1 A 25 25 ARG N N 24 121.816 121.513 0.303 1 1 324 . 10 1 1 A 26 26 GLU H H 25 7.133 8.312 -1.179 1 1 325 . 10 1 1 A 26 26 GLU HA H 25 4.052 4.263 -0.211 1 1 330 . 10 1 1 A 26 26 GLU C C 25 178.158 177.369 0.789 1 1 331 . 10 1 1 A 26 26 GLU CA C 25 58.367 57.330 1.037 1 1 332 . 10 1 1 A 26 26 GLU CB C 25 29.903 29.944 -0.041 1 1 334 . 10 1 1 A 26 26 GLU N N 25 116.794 117.167 -0.373 1 1 335 . 10 1 1 A 27 27 GLN H H 26 7.283 8.241 -0.958 1 1 336 . 10 1 1 A 27 27 GLN HA H 26 3.888 4.408 -0.520 1 1 343 . 10 1 1 A 27 27 GLN C C 26 176.088 176.196 -0.108 1 1 344 . 10 1 1 A 27 27 GLN CA C 26 57.676 57.051 0.625 1 1 345 . 10 1 1 A 27 27 GLN CB C 26 30.382 30.859 -0.477 1 1 348 . 10 1 1 A 27 27 GLN N N 26 116.373 117.940 -1.567 1 1 350 . 10 1 1 A 28 28 HIS H H 27 8.223 8.522 -0.299 1 1 351 . 10 1 1 A 28 28 HIS HA H 27 4.941 5.113 -0.172 1 1 356 . 10 1 1 A 28 28 HIS CA C 27 53.278 53.214 0.064 1 1 357 . 10 1 1 A 28 28 HIS CB C 27 30.933 29.715 1.218 1 1 360 . 10 1 1 A 28 28 HIS N N 27 115.408 116.534 -1.126 1 1 361 . 10 1 1 A 29 29 PRO HA H 28 4.562 4.367 0.195 1 1 368 . 10 1 1 A 29 29 PRO C C 28 178.046 177.731 0.315 1 1 369 . 10 1 1 A 29 29 PRO CA C 28 64.821 64.402 0.419 1 1 370 . 10 1 1 A 29 29 PRO CB C 28 32.447 31.929 0.518 1 1 373 . 10 1 1 A 30 30 THR H H 29 7.820 7.775 0.045 1 1 374 . 10 1 1 A 30 30 THR HA H 29 4.583 4.355 0.228 1 1 379 . 10 1 1 A 30 30 THR C C 29 172.723 173.321 -0.598 1 1 380 . 10 1 1 A 30 30 THR CA C 29 60.826 61.982 -1.156 1 1 381 . 10 1 1 A 30 30 THR CB C 29 68.641 69.167 -0.526 1 1 383 . 10 1 1 A 30 30 THR N N 29 106.682 107.935 -1.253 1 1 384 . 10 1 1 A 31 31 LYS H H 30 7.453 7.142 0.311 1 1 385 . 10 1 1 A 31 31 LYS HA H 30 4.850 4.820 0.030 1 1 394 . 10 1 1 A 31 31 LYS C C 30 174.296 174.950 -0.654 1 1 395 . 10 1 1 A 31 31 LYS CA C 30 53.944 54.687 -0.743 1 1 396 . 10 1 1 A 31 31 LYS CB C 30 36.098 37.305 -1.207 1 1 400 . 10 1 1 A 31 31 LYS N N 30 117.809 120.342 -2.533 1 1 401 . 10 1 1 A 32 32 ILE H H 31 9.265 9.366 -0.101 1 1 402 . 10 1 1 A 32 32 ILE HA H 31 4.106 4.113 -0.007 1 1 412 . 10 1 1 A 32 32 ILE CA C 31 54.606 57.483 -2.877 1 1 413 . 10 1 1 A 32 32 ILE CB C 31 38.448 39.256 -0.808 1 1 417 . 10 1 1 A 32 32 ILE N N 31 122.497 121.988 0.509 1 1 418 . 10 1 1 A 33 33 PRO HA H 32 5.252 4.922 0.330 1 1 425 . 10 1 1 A 33 33 PRO C C 32 174.652 176.746 -2.094 1 1 426 . 10 1 1 A 33 33 PRO CA C 32 61.704 62.489 -0.785 1 1 427 . 10 1 1 A 33 33 PRO CB C 32 31.873 31.950 -0.077 1 1 430 . 10 1 1 A 34 34 VAL H H 33 9.359 8.329 1.030 1 1 431 . 10 1 1 A 34 34 VAL HA H 33 5.298 5.184 0.114 1 1 439 . 10 1 1 A 34 34 VAL C C 33 173.633 174.722 -1.089 1 1 440 . 10 1 1 A 34 34 VAL CA C 33 59.830 59.638 0.192 1 1 441 . 10 1 1 A 34 34 VAL CB C 33 36.154 36.446 -0.292 1 1 444 . 10 1 1 A 34 34 VAL N N 33 124.496 116.699 7.797 1 1 445 . 10 1 1 A 35 35 ILE H H 34 8.667 8.995 -0.328 1 1 446 . 10 1 1 A 35 35 ILE HA H 34 4.867 4.893 -0.026 1 1 456 . 10 1 1 A 35 35 ILE C C 34 175.770 174.278 1.492 1 1 457 . 10 1 1 A 35 35 ILE CA C 34 56.320 59.891 -3.571 1 1 458 . 10 1 1 A 35 35 ILE CB C 34 36.909 39.756 -2.847 1 1 462 . 10 1 1 A 35 35 ILE N N 34 127.447 121.764 5.683 1 1 463 . 10 1 1 A 36 36 ILE H H 35 8.422 9.342 -0.920 1 1 464 . 10 1 1 A 36 36 ILE HA H 35 4.890 4.910 -0.020 1 1 474 . 10 1 1 A 36 36 ILE C C 35 175.098 174.729 0.369 1 1 475 . 10 1 1 A 36 36 ILE CA C 35 60.806 59.295 1.511 1 1 476 . 10 1 1 A 36 36 ILE CB C 35 39.357 39.676 -0.319 1 1 480 . 10 1 1 A 36 36 ILE N N 35 124.267 129.513 -5.246 1 1 481 . 10 1 1 A 37 37 GLU H H 36 8.335 8.695 -0.360 1 1 482 . 10 1 1 A 37 37 GLU HA H 36 4.820 4.999 -0.179 1 1 487 . 10 1 1 A 37 37 GLU C C 36 173.502 175.097 -1.595 1 1 488 . 10 1 1 A 37 37 GLU CA C 36 54.214 54.501 -0.287 1 1 489 . 10 1 1 A 37 37 GLU CB C 36 35.547 33.021 2.526 1 1 491 . 10 1 1 A 37 37 GLU N N 36 123.296 124.043 -0.747 1 1 492 . 10 1 1 A 38 38 ARG H H 37 8.891 8.350 0.541 1 1 493 . 10 1 1 A 38 38 ARG HA H 37 2.755 3.364 -0.609 1 1 501 . 10 1 1 A 38 38 ARG C C 37 176.165 175.346 0.819 1 1 502 . 10 1 1 A 38 38 ARG CA C 37 56.235 55.973 0.262 1 1 503 . 10 1 1 A 38 38 ARG CB C 37 31.328 30.223 1.105 1 1 507 . 10 1 1 A 38 38 ARG N N 37 123.143 120.619 2.524 1 1 509 . 10 1 1 A 39 39 TYR H H 38 8.681 7.949 0.732 1 1 510 . 10 1 1 A 39 39 TYR HA H 38 4.331 4.628 -0.297 1 1 517 . 10 1 1 A 39 39 TYR C C 38 177.064 175.763 1.301 1 1 518 . 10 1 1 A 39 39 TYR CA C 38 57.769 58.903 -1.134 1 1 519 . 10 1 1 A 39 39 TYR CB C 38 39.552 39.403 0.149 1 1 522 . 10 1 1 A 39 39 TYR N N 38 128.699 122.402 6.297 1 1 523 . 10 1 1 A 40 40 LYS H H 39 8.454 8.225 0.229 1 1 524 . 10 1 1 A 40 40 LYS HA H 39 3.841 3.747 0.094 1 1 533 . 10 1 1 A 40 40 LYS C C 39 176.290 177.117 -0.827 1 1 534 . 10 1 1 A 40 40 LYS CA C 39 58.772 57.962 0.810 1 1 535 . 10 1 1 A 40 40 LYS CB C 39 31.738 31.345 0.393 1 1 539 . 10 1 1 A 40 40 LYS N N 39 130.022 125.850 4.172 1 1 540 . 10 1 1 A 41 41 GLY H H 40 5.457 8.694 -3.237 1 1 541 . 10 1 1 A 41 41 GLY HA2 H 40 3.306 4.072 -0.766 1 1 542 . 10 1 1 A 41 41 GLY HA3 H 40 3.999 4.180 -0.181 1 1 543 . 10 1 1 A 41 41 GLY C C 40 173.426 174.118 -0.692 1 1 544 . 10 1 1 A 41 41 GLY CA C 40 44.673 45.356 -0.683 1 1 545 . 10 1 1 A 41 41 GLY N N 40 104.628 113.026 -8.398 1 1 546 . 10 1 1 A 42 42 GLU H H 41 7.440 8.359 -0.919 1 1 547 . 10 1 1 A 42 42 GLU HA H 41 4.278 4.685 -0.407 1 1 552 . 10 1 1 A 42 42 GLU C C 41 176.306 176.563 -0.257 1 1 553 . 10 1 1 A 42 42 GLU CA C 41 56.358 55.198 1.160 1 1 554 . 10 1 1 A 42 42 GLU CB C 41 31.014 30.680 0.334 1 1 556 . 10 1 1 A 42 42 GLU N N 41 122.648 120.704 1.944 1 1 557 . 10 1 1 A 43 43 LYS H H 42 8.912 8.475 0.437 1 1 558 . 10 1 1 A 43 43 LYS HA H 42 4.680 4.619 0.061 1 1 567 . 10 1 1 A 43 43 LYS C C 42 177.063 178.463 -1.400 1 1 568 . 10 1 1 A 43 43 LYS CA C 42 55.652 57.113 -1.461 1 1 569 . 10 1 1 A 43 43 LYS CB C 42 34.871 33.935 0.936 1 1 573 . 10 1 1 A 43 43 LYS N N 42 123.569 123.358 0.211 1 1 574 . 10 1 1 A 44 44 GLN H H 43 8.446 8.152 0.294 1 1 575 . 10 1 1 A 44 44 GLN HA H 43 4.545 4.034 0.511 1 1 582 . 10 1 1 A 44 44 GLN C C 43 177.152 177.152 0.000 1 1 583 . 10 1 1 A 44 44 GLN CA C 43 57.561 59.136 -1.575 1 1 584 . 10 1 1 A 44 44 GLN CB C 43 30.671 28.643 2.028 1 1 587 . 10 1 1 A 44 44 GLN N N 43 118.990 118.756 0.234 1 1 589 . 10 1 1 A 45 45 LEU H H 44 9.043 8.433 0.610 1 1 590 . 10 1 1 A 45 45 LEU HA H 44 4.716 4.467 0.249 1 1 600 . 10 1 1 A 45 45 LEU CA C 44 53.078 53.986 -0.908 1 1 601 . 10 1 1 A 45 45 LEU CB C 44 43.614 41.238 2.376 1 1 605 . 10 1 1 A 45 45 LEU N N 44 120.375 120.323 0.052 1 1 606 . 10 1 1 A 46 46 PRO HA H 45 4.723 4.642 0.081 1 1 613 . 10 1 1 A 46 46 PRO C C 45 175.883 176.478 -0.595 1 1 614 . 10 1 1 A 46 46 PRO CA C 45 62.005 62.273 -0.268 1 1 615 . 10 1 1 A 46 46 PRO CB C 45 32.609 32.395 0.214 1 1 618 . 10 1 1 A 47 47 VAL H H 46 8.437 8.485 -0.048 1 1 619 . 10 1 1 A 47 47 VAL HA H 46 3.914 4.306 -0.392 1 1 627 . 10 1 1 A 47 47 VAL C C 46 175.367 176.255 -0.888 1 1 628 . 10 1 1 A 47 47 VAL CA C 46 62.700 62.462 0.238 1 1 629 . 10 1 1 A 47 47 VAL CB C 46 32.927 31.953 0.974 1 1 632 . 10 1 1 A 47 47 VAL N N 46 118.440 121.516 -3.076 1 1 633 . 10 1 1 A 48 48 LEU H H 47 7.863 8.743 -0.880 1 1 634 . 10 1 1 A 48 48 LEU HA H 47 4.384 4.227 0.157 1 1 644 . 10 1 1 A 48 48 LEU C C 47 176.088 177.668 -1.580 1 1 645 . 10 1 1 A 48 48 LEU CA C 47 54.851 55.779 -0.928 1 1 646 . 10 1 1 A 48 48 LEU CB C 47 43.841 43.501 0.340 1 1 650 . 10 1 1 A 48 48 LEU N N 47 129.127 128.451 0.676 1 1 651 . 10 1 1 A 49 49 ASP H H 48 8.699 8.861 -0.162 1 1 652 . 10 1 1 A 49 49 ASP HA H 48 4.293 4.278 0.015 1 1 655 . 10 1 1 A 49 49 ASP C C 48 175.121 175.790 -0.669 1 1 656 . 10 1 1 A 49 49 ASP CA C 48 55.717 57.689 -1.972 1 1 657 . 10 1 1 A 49 49 ASP CB C 48 40.260 40.815 -0.555 1 1 658 . 10 1 1 A 49 49 ASP N N 48 121.389 126.996 -5.607 1 1 659 . 10 1 1 A 50 50 LYS H H 49 7.251 7.396 -0.145 1 1 660 . 10 1 1 A 50 50 LYS HA H 49 4.540 4.584 -0.044 1 1 669 . 10 1 1 A 50 50 LYS C C 49 174.664 175.381 -0.717 1 1 670 . 10 1 1 A 50 50 LYS CA C 49 53.211 55.125 -1.914 1 1 671 . 10 1 1 A 50 50 LYS CB C 49 35.514 34.544 0.970 1 1 675 . 10 1 1 A 50 50 LYS N N 49 118.260 113.043 5.217 1 1 676 . 10 1 1 A 51 51 THR H H 50 8.162 8.196 -0.034 1 1 677 . 10 1 1 A 51 51 THR HA H 50 4.685 5.213 -0.528 1 1 682 . 10 1 1 A 51 51 THR C C 50 171.631 173.801 -2.170 1 1 683 . 10 1 1 A 51 51 THR CA C 50 63.581 61.881 1.700 1 1 684 . 10 1 1 A 51 51 THR CB C 50 71.587 70.051 1.536 1 1 686 . 10 1 1 A 51 51 THR N N 50 112.535 112.638 -0.103 1 1 687 . 10 1 1 A 52 52 LYS H H 51 6.971 7.523 -0.552 1 1 688 . 10 1 1 A 52 52 LYS HA H 51 4.443 5.046 -0.603 1 1 697 . 10 1 1 A 52 52 LYS C C 51 175.417 175.354 0.063 1 1 698 . 10 1 1 A 52 52 LYS CA C 51 55.209 54.698 0.511 1 1 699 . 10 1 1 A 52 52 LYS CB C 51 33.309 35.196 -1.887 1 1 703 . 10 1 1 A 52 52 LYS N N 51 120.227 120.122 0.105 1 1 704 . 10 1 1 A 53 53 PHE H H 52 9.688 9.031 0.657 1 1 705 . 10 1 1 A 53 53 PHE HA H 52 5.675 5.076 0.599 1 1 712 . 10 1 1 A 53 53 PHE C C 52 174.348 174.935 -0.587 1 1 713 . 10 1 1 A 53 53 PHE CA C 52 56.625 56.588 0.037 1 1 714 . 10 1 1 A 53 53 PHE CB C 52 43.109 43.810 -0.701 1 1 716 . 10 1 1 A 53 53 PHE N N 52 124.646 121.606 3.040 1 1 717 . 10 1 1 A 54 54 LEU H H 53 8.470 9.133 -0.663 1 1 718 . 10 1 1 A 54 54 LEU HA H 53 5.044 4.841 0.203 1 1 728 . 10 1 1 A 54 54 LEU C C 53 176.144 175.838 0.306 1 1 729 . 10 1 1 A 54 54 LEU CA C 53 52.954 53.481 -0.527 1 1 730 . 10 1 1 A 54 54 LEU CB C 53 45.081 42.945 2.136 1 1 734 . 10 1 1 A 54 54 LEU N N 53 119.430 122.685 -3.255 1 1 735 . 10 1 1 A 55 55 VAL H H 54 8.802 8.736 0.066 1 1 736 . 10 1 1 A 55 55 VAL HA H 54 4.640 4.534 0.106 1 1 744 . 10 1 1 A 55 55 VAL CA C 54 58.549 59.560 -1.011 1 1 745 . 10 1 1 A 55 55 VAL CB C 54 35.342 31.948 3.394 1 1 748 . 10 1 1 A 55 55 VAL N N 54 123.841 126.006 -2.165 1 1 749 . 10 1 1 A 56 56 PRO HA H 55 4.439 4.877 -0.438 1 1 756 . 10 1 1 A 56 56 PRO C C 55 176.666 176.812 -0.146 1 1 757 . 10 1 1 A 56 56 PRO CA C 55 64.256 62.497 1.759 1 1 758 . 10 1 1 A 56 56 PRO CB C 55 32.783 31.953 0.830 1 1 761 . 10 1 1 A 57 57 ASP H H 56 8.412 7.991 0.421 1 1 762 . 10 1 1 A 57 57 ASP HA H 56 3.848 4.569 -0.721 1 1 765 . 10 1 1 A 57 57 ASP C C 56 175.417 176.706 -1.289 1 1 766 . 10 1 1 A 57 57 ASP CA C 56 56.616 54.147 2.469 1 1 767 . 10 1 1 A 57 57 ASP CB C 56 40.410 39.765 0.645 1 1 768 . 10 1 1 A 57 57 ASP N N 56 120.415 123.053 -2.638 1 1 769 . 10 1 1 A 58 58 HIS H H 57 7.373 8.254 -0.881 1 1 770 . 10 1 1 A 58 58 HIS HA H 57 4.770 4.825 -0.055 1 1 775 . 10 1 1 A 58 58 HIS C C 57 176.594 174.115 2.479 1 1 776 . 10 1 1 A 58 58 HIS CA C 57 55.584 54.964 0.620 1 1 777 . 10 1 1 A 58 58 HIS CB C 57 30.628 30.961 -0.333 1 1 780 . 10 1 1 A 58 58 HIS N N 57 113.439 114.208 -0.769 1 1 781 . 10 1 1 A 59 59 VAL H H 58 7.249 7.568 -0.319 1 1 782 . 10 1 1 A 59 59 VAL HA H 58 3.903 4.678 -0.775 1 1 790 . 10 1 1 A 59 59 VAL C C 58 175.014 173.525 1.489 1 1 791 . 10 1 1 A 59 59 VAL CA C 58 62.726 59.175 3.551 1 1 792 . 10 1 1 A 59 59 VAL CB C 58 32.190 35.598 -3.408 1 1 795 . 10 1 1 A 59 59 VAL N N 58 122.597 115.605 6.992 1 1 796 . 10 1 1 A 60 60 ASN H H 59 8.677 8.366 0.311 1 1 797 . 10 1 1 A 60 60 ASN HA H 59 5.187 5.176 0.011 1 1 802 . 10 1 1 A 60 60 ASN C C 59 176.477 176.710 -0.233 1 1 803 . 10 1 1 A 60 60 ASN CA C 59 51.181 51.185 -0.004 1 1 804 . 10 1 1 A 60 60 ASN CB C 59 39.947 41.465 -1.518 1 1 806 . 10 1 1 A 60 60 ASN N N 59 122.962 117.809 5.153 1 1 808 . 10 1 1 A 61 61 MET H H 60 8.038 8.961 -0.923 1 1 809 . 10 1 1 A 61 61 MET HA H 60 4.426 4.216 0.210 1 1 817 . 10 1 1 A 61 61 MET C C 60 177.996 178.407 -0.411 1 1 818 . 10 1 1 A 61 61 MET CA C 60 57.118 58.101 -0.983 1 1 819 . 10 1 1 A 61 61 MET CB C 60 29.998 32.143 -2.145 1 1 822 . 10 1 1 A 61 61 MET N N 60 116.814 119.850 -3.036 1 1 823 . 10 1 1 A 62 62 SER H H 61 8.401 8.151 0.250 1 1 824 . 10 1 1 A 62 62 SER HA H 61 4.132 4.131 0.001 1 1 827 . 10 1 1 A 62 62 SER C C 61 177.255 177.342 -0.087 1 1 828 . 10 1 1 A 62 62 SER CA C 61 61.559 61.429 0.130 1 1 829 . 10 1 1 A 62 62 SER CB C 61 62.430 63.044 -0.614 1 1 830 . 10 1 1 A 62 62 SER N N 61 114.109 116.880 -2.771 1 1 831 . 10 1 1 A 63 63 GLU H H 62 8.014 8.267 -0.253 1 1 832 . 10 1 1 A 63 63 GLU HA H 62 4.016 4.088 -0.072 1 1 837 . 10 1 1 A 63 63 GLU C C 62 178.327 178.973 -0.646 1 1 838 . 10 1 1 A 63 63 GLU CA C 62 58.787 59.290 -0.503 1 1 839 . 10 1 1 A 63 63 GLU CB C 62 29.814 29.262 0.552 1 1 841 . 10 1 1 A 63 63 GLU N N 62 122.806 121.869 0.937 1 1 842 . 10 1 1 A 64 64 LEU H H 63 8.254 8.097 0.157 1 1 843 . 10 1 1 A 64 64 LEU HA H 63 3.932 4.049 -0.117 1 1 853 . 10 1 1 A 64 64 LEU C C 63 178.029 178.463 -0.434 1 1 854 . 10 1 1 A 64 64 LEU CA C 63 57.986 57.868 0.118 1 1 855 . 10 1 1 A 64 64 LEU CB C 63 41.377 41.767 -0.390 1 1 859 . 10 1 1 A 64 64 LEU N N 63 120.526 121.711 -1.185 1 1 860 . 10 1 1 A 65 65 ILE H H 64 8.415 7.800 0.615 1 1 861 . 10 1 1 A 65 65 ILE HA H 64 3.377 3.768 -0.391 1 1 871 . 10 1 1 A 65 65 ILE C C 64 177.078 178.476 -1.398 1 1 872 . 10 1 1 A 65 65 ILE CA C 64 66.699 65.313 1.386 1 1 873 . 10 1 1 A 65 65 ILE CB C 64 38.128 37.590 0.538 1 1 877 . 10 1 1 A 65 65 ILE N N 64 118.349 119.566 -1.217 1 1 878 . 10 1 1 A 66 66 LYS H H 65 7.366 8.406 -1.040 1 1 879 . 10 1 1 A 66 66 LYS HA H 65 3.696 4.079 -0.383 1 1 888 . 10 1 1 A 66 66 LYS C C 65 179.260 179.377 -0.117 1 1 889 . 10 1 1 A 66 66 LYS CA C 65 60.593 59.376 1.217 1 1 890 . 10 1 1 A 66 66 LYS CB C 65 32.421 32.477 -0.056 1 1 894 . 10 1 1 A 66 66 LYS N N 65 118.334 120.116 -1.782 1 1 895 . 10 1 1 A 67 67 ILE H H 66 8.179 8.445 -0.266 1 1 896 . 10 1 1 A 67 67 ILE HA H 66 3.546 3.718 -0.172 1 1 906 . 10 1 1 A 67 67 ILE C C 66 178.784 178.741 0.043 1 1 907 . 10 1 1 A 67 67 ILE CA C 66 65.488 64.850 0.638 1 1 908 . 10 1 1 A 67 67 ILE CB C 66 38.593 37.024 1.569 1 1 912 . 10 1 1 A 67 67 ILE N N 66 119.791 120.603 -0.812 1 1 913 . 10 1 1 A 68 68 ILE H H 67 8.279 8.045 0.234 1 1 914 . 10 1 1 A 68 68 ILE HA H 67 3.391 3.435 -0.044 1 1 924 . 10 1 1 A 68 68 ILE C C 67 177.403 177.583 -0.180 1 1 925 . 10 1 1 A 68 68 ILE CA C 67 63.144 64.688 -1.544 1 1 926 . 10 1 1 A 68 68 ILE CB C 67 35.269 37.440 -2.171 1 1 930 . 10 1 1 A 68 68 ILE N N 67 120.267 122.058 -1.791 1 1 931 . 10 1 1 A 69 69 ARG H H 68 8.454 7.515 0.939 1 1 932 . 10 1 1 A 69 69 ARG HA H 68 2.966 3.171 -0.205 1 1 939 . 10 1 1 A 69 69 ARG C C 68 178.385 177.952 0.433 1 1 940 . 10 1 1 A 69 69 ARG CA C 68 60.642 58.261 2.381 1 1 941 . 10 1 1 A 69 69 ARG CB C 68 30.442 29.508 0.934 1 1 944 . 10 1 1 A 69 69 ARG N N 68 118.881 119.981 -1.100 1 1 945 . 10 1 1 A 70 70 ARG H H 69 7.492 7.877 -0.385 1 1 946 . 10 1 1 A 70 70 ARG HA H 69 4.164 4.011 0.153 1 1 954 . 10 1 1 A 70 70 ARG C C 69 180.253 179.007 1.246 1 1 955 . 10 1 1 A 70 70 ARG CA C 69 58.510 59.599 -1.089 1 1 956 . 10 1 1 A 70 70 ARG CB C 69 29.587 30.067 -0.480 1 1 960 . 10 1 1 A 70 70 ARG N N 69 116.411 118.889 -2.478 1 1 962 . 10 1 1 A 71 71 ARG H H 70 8.086 8.059 0.027 1 1 963 . 10 1 1 A 71 71 ARG HA H 70 4.025 4.010 0.015 1 1 970 . 10 1 1 A 71 71 ARG C C 70 178.558 178.735 -0.177 1 1 971 . 10 1 1 A 71 71 ARG CA C 70 59.428 58.679 0.749 1 1 972 . 10 1 1 A 71 71 ARG CB C 70 30.235 29.804 0.431 1 1 975 . 10 1 1 A 71 71 ARG N N 70 122.779 119.465 3.314 1 1 976 . 10 1 1 A 72 72 LEU H H 71 7.755 7.356 0.399 1 1 977 . 10 1 1 A 72 72 LEU HA H 71 4.081 4.038 0.043 1 1 987 . 10 1 1 A 72 72 LEU C C 71 174.852 176.578 -1.726 1 1 988 . 10 1 1 A 72 72 LEU CA C 71 55.060 56.168 -1.108 1 1 989 . 10 1 1 A 72 72 LEU CB C 71 43.109 41.338 1.771 1 1 993 . 10 1 1 A 72 72 LEU N N 71 116.551 119.031 -2.480 1 1 994 . 10 1 1 A 73 73 GLN H H 72 7.740 7.782 -0.042 1 1 995 . 10 1 1 A 73 73 GLN HA H 72 3.853 3.937 -0.084 1 1 1002 . 10 1 1 A 73 73 GLN C C 72 175.619 174.862 0.757 1 1 1003 . 10 1 1 A 73 73 GLN CA C 72 56.273 56.530 -0.257 1 1 1004 . 10 1 1 A 73 73 GLN CB C 72 25.939 26.472 -0.533 1 1 1007 . 10 1 1 A 73 73 GLN N N 72 114.737 117.856 -3.119 1 1 1009 . 10 1 1 A 74 74 LEU H H 73 7.525 7.930 -0.405 1 1 1010 . 10 1 1 A 74 74 LEU HA H 73 4.242 4.426 -0.184 1 1 1020 . 10 1 1 A 74 74 LEU C C 73 178.611 175.517 3.094 1 1 1021 . 10 1 1 A 74 74 LEU CA C 73 54.382 54.322 0.060 1 1 1022 . 10 1 1 A 74 74 LEU CB C 73 41.995 42.018 -0.023 1 1 1026 . 10 1 1 A 74 74 LEU N N 73 114.861 120.468 -5.607 1 1 1027 . 10 1 1 A 75 75 ASN H H 74 8.970 8.753 0.217 1 1 1028 . 10 1 1 A 75 75 ASN HA H 74 4.694 5.092 -0.398 1 1 1033 . 10 1 1 A 75 75 ASN C C 74 176.527 175.600 0.927 1 1 1034 . 10 1 1 A 75 75 ASN CA C 74 52.686 51.072 1.614 1 1 1035 . 10 1 1 A 75 75 ASN CB C 74 39.583 41.519 -1.936 1 1 1037 . 10 1 1 A 75 75 ASN N N 74 121.274 117.041 4.233 1 1 1039 . 10 1 1 A 76 76 ALA H H 75 8.697 8.643 0.054 1 1 1040 . 10 1 1 A 76 76 ALA HA H 75 3.966 4.041 -0.075 1 1 1044 . 10 1 1 A 76 76 ALA C C 75 178.002 179.751 -1.749 1 1 1045 . 10 1 1 A 76 76 ALA CA C 75 54.797 55.553 -0.756 1 1 1046 . 10 1 1 A 76 76 ALA CB C 75 18.669 18.084 0.585 1 1 1047 . 10 1 1 A 76 76 ALA N N 75 123.590 120.694 2.896 1 1 1048 . 10 1 1 A 77 77 ASN H H 76 8.344 8.194 0.150 1 1 1049 . 10 1 1 A 77 77 ASN HA H 76 4.585 4.455 0.130 1 1 1054 . 10 1 1 A 77 77 ASN C C 76 175.371 176.167 -0.796 1 1 1055 . 10 1 1 A 77 77 ASN CA C 76 53.183 56.653 -3.470 1 1 1056 . 10 1 1 A 77 77 ASN CB C 76 38.277 38.383 -0.106 1 1 1058 . 10 1 1 A 77 77 ASN N N 76 112.004 116.433 -4.429 1 1 1060 . 10 1 1 A 78 78 GLN H H 77 7.532 7.592 -0.060 1 1 1061 . 10 1 1 A 78 78 GLN HA H 77 4.281 4.659 -0.378 1 1 1068 . 10 1 1 A 78 78 GLN C C 77 175.001 174.773 0.228 1 1 1069 . 10 1 1 A 78 78 GLN CA C 77 55.875 55.667 0.208 1 1 1070 . 10 1 1 A 78 78 GLN CB C 77 30.227 30.228 -0.001 1 1 1073 . 10 1 1 A 78 78 GLN N N 77 120.237 118.832 1.405 1 1 1075 . 10 1 1 A 79 79 ALA H H 78 8.732 8.749 -0.017 1 1 1076 . 10 1 1 A 79 79 ALA HA H 78 4.183 5.406 -1.223 1 1 1080 . 10 1 1 A 79 79 ALA C C 78 176.367 175.524 0.843 1 1 1081 . 10 1 1 A 79 79 ALA CA C 78 52.798 50.199 2.599 1 1 1082 . 10 1 1 A 79 79 ALA CB C 78 20.051 21.455 -1.404 1 1 1083 . 10 1 1 A 79 79 ALA N N 78 130.399 128.772 1.627 1 1 1084 . 10 1 1 A 80 80 PHE H H 79 7.603 8.903 -1.300 1 1 1085 . 10 1 1 A 80 80 PHE HA H 79 4.449 5.274 -0.825 1 1 1093 . 10 1 1 A 80 80 PHE C C 79 171.709 173.358 -1.649 1 1 1094 . 10 1 1 A 80 80 PHE CA C 79 59.101 56.325 2.776 1 1 1095 . 10 1 1 A 80 80 PHE CB C 79 42.282 42.389 -0.107 1 1 1099 . 10 1 1 A 80 80 PHE N N 79 118.988 124.729 -5.741 1 1 1100 . 10 1 1 A 81 81 PHE H H 80 8.507 9.079 -0.572 1 1 1101 . 10 1 1 A 81 81 PHE HA H 80 4.421 4.428 -0.007 1 1 1109 . 10 1 1 A 81 81 PHE C C 80 172.644 173.878 -1.234 1 1 1110 . 10 1 1 A 81 81 PHE CA C 80 56.711 55.869 0.842 1 1 1111 . 10 1 1 A 81 81 PHE CB C 80 41.880 42.296 -0.416 1 1 1115 . 10 1 1 A 81 81 PHE N N 80 126.042 125.137 0.905 1 1 1116 . 10 1 1 A 82 82 LEU H H 81 8.199 8.508 -0.309 1 1 1117 . 10 1 1 A 82 82 LEU HA H 81 4.883 5.049 -0.166 1 1 1127 . 10 1 1 A 82 82 LEU C C 81 174.440 174.602 -0.162 1 1 1128 . 10 1 1 A 82 82 LEU CA C 81 53.153 54.188 -1.035 1 1 1129 . 10 1 1 A 82 82 LEU CB C 81 45.520 44.643 0.877 1 1 1133 . 10 1 1 A 82 82 LEU N N 81 121.512 125.433 -3.921 1 1 1134 . 10 1 1 A 83 83 LEU H H 82 9.349 9.596 -0.247 1 1 1135 . 10 1 1 A 83 83 LEU HA H 82 4.810 4.908 -0.098 1 1 1145 . 10 1 1 A 83 83 LEU C C 82 177.075 175.965 1.110 1 1 1146 . 10 1 1 A 83 83 LEU CA C 82 54.122 53.941 0.181 1 1 1147 . 10 1 1 A 83 83 LEU CB C 82 43.394 43.153 0.241 1 1 1151 . 10 1 1 A 83 83 LEU N N 82 125.253 126.626 -1.373 1 1 1152 . 10 1 1 A 84 84 VAL H H 83 8.681 8.683 -0.002 1 1 1153 . 10 1 1 A 84 84 VAL HA H 83 4.411 3.687 0.724 1 1 1161 . 10 1 1 A 84 84 VAL C C 83 175.797 176.258 -0.461 1 1 1162 . 10 1 1 A 84 84 VAL CA C 83 61.630 62.954 -1.324 1 1 1163 . 10 1 1 A 84 84 VAL CB C 83 33.647 31.085 2.562 1 1 1166 . 10 1 1 A 84 84 VAL N N 83 123.543 125.851 -2.308 1 1 1167 . 10 1 1 A 85 85 ASN H H 84 9.622 9.672 -0.050 1 1 1168 . 10 1 1 A 85 85 ASN HA H 84 4.399 4.381 0.018 1 1 1173 . 10 1 1 A 85 85 ASN C C 84 175.042 175.048 -0.006 1 1 1174 . 10 1 1 A 85 85 ASN CA C 84 54.610 54.266 0.344 1 1 1175 . 10 1 1 A 85 85 ASN CB C 84 37.927 36.878 1.049 1 1 1177 . 10 1 1 A 85 85 ASN N N 84 125.848 127.208 -1.360 1 1 1179 . 10 1 1 A 86 86 GLY H H 85 8.551 8.312 0.239 1 1 1180 . 10 1 1 A 86 86 GLY HA2 H 85 3.368 3.780 -0.412 1 1 1181 . 10 1 1 A 86 86 GLY HA3 H 85 4.064 3.811 0.253 1 1 1182 . 10 1 1 A 86 86 GLY C C 85 173.524 173.595 -0.071 1 1 1183 . 10 1 1 A 86 86 GLY CA C 85 45.588 45.332 0.256 1 1 1184 . 10 1 1 A 86 86 GLY N N 85 101.093 104.036 -2.943 1 1 1185 . 10 1 1 A 87 87 HIS H H 86 7.906 7.266 0.640 1 1 1186 . 10 1 1 A 87 87 HIS HA H 86 5.003 5.198 -0.195 1 1 1191 . 10 1 1 A 87 87 HIS C C 86 173.910 174.339 -0.429 1 1 1192 . 10 1 1 A 87 87 HIS CA C 86 54.213 53.785 0.428 1 1 1193 . 10 1 1 A 87 87 HIS CB C 86 31.482 32.915 -1.433 1 1 1196 . 10 1 1 A 87 87 HIS N N 86 117.253 115.337 1.916 1 1 1197 . 10 1 1 A 88 88 SER H H 87 8.846 9.023 -0.177 1 1 1198 . 10 1 1 A 88 88 SER HA H 87 4.702 4.506 0.196 1 1 1201 . 10 1 1 A 88 88 SER C C 87 175.739 175.462 0.277 1 1 1202 . 10 1 1 A 88 88 SER CA C 87 58.245 58.180 0.065 1 1 1203 . 10 1 1 A 88 88 SER CB C 87 63.764 65.010 -1.246 1 1 1204 . 10 1 1 A 88 88 SER N N 87 117.469 115.073 2.396 1 1 1205 . 10 1 1 A 89 89 MET H H 88 9.174 8.540 0.634 1 1 1206 . 10 1 1 A 89 89 MET HA H 88 4.820 4.869 -0.049 1 1 1214 . 10 1 1 A 89 89 MET C C 88 176.294 176.447 -0.153 1 1 1215 . 10 1 1 A 89 89 MET CA C 88 54.853 54.453 0.400 1 1 1216 . 10 1 1 A 89 89 MET CB C 88 33.183 32.848 0.335 1 1 1219 . 10 1 1 A 89 89 MET N N 88 125.111 117.732 7.379 1 1 1220 . 10 1 1 A 90 90 VAL H H 89 8.217 7.421 0.796 1 1 1221 . 10 1 1 A 90 90 VAL HA H 89 4.063 3.779 0.284 1 1 1229 . 10 1 1 A 90 90 VAL C C 89 176.249 176.972 -0.723 1 1 1230 . 10 1 1 A 90 90 VAL CA C 89 63.377 63.743 -0.366 1 1 1231 . 10 1 1 A 90 90 VAL CB C 89 32.473 31.610 0.863 1 1 1234 . 10 1 1 A 90 90 VAL N N 89 120.477 122.090 -1.613 1 1 1235 . 10 1 1 A 91 91 SER H H 90 8.356 8.931 -0.575 1 1 1236 . 10 1 1 A 91 91 SER HA H 90 4.614 4.191 0.423 1 1 1239 . 10 1 1 A 91 91 SER C C 90 175.841 174.850 0.991 1 1 1240 . 10 1 1 A 91 91 SER CA C 90 57.860 59.149 -1.289 1 1 1241 . 10 1 1 A 91 91 SER CB C 90 63.398 62.313 1.085 1 1 1242 . 10 1 1 A 91 91 SER N N 90 116.676 124.514 -7.838 1 1 1243 . 10 1 1 A 92 92 VAL H H 91 8.158 7.851 0.307 1 1 1244 . 10 1 1 A 92 92 VAL HA H 91 4.245 3.641 0.604 1 1 1252 . 10 1 1 A 92 92 VAL C C 91 175.856 175.997 -0.141 1 1 1253 . 10 1 1 A 92 92 VAL CA C 91 63.121 66.091 -2.970 1 1 1254 . 10 1 1 A 92 92 VAL CB C 91 31.872 31.741 0.131 1 1 1257 . 10 1 1 A 92 92 VAL N N 91 119.994 121.435 -1.441 1 1 1258 . 10 1 1 A 93 93 SER H H 92 8.368 8.037 0.331 1 1 1259 . 10 1 1 A 93 93 SER HA H 92 4.581 4.180 0.401 1 1 1262 . 10 1 1 A 93 93 SER C C 92 174.154 173.122 1.032 1 1 1263 . 10 1 1 A 93 93 SER CA C 92 57.706 59.166 -1.460 1 1 1264 . 10 1 1 A 93 93 SER CB C 92 63.126 61.391 1.735 1 1 1265 . 10 1 1 A 93 93 SER N N 92 116.504 115.575 0.929 1 1 1266 . 10 1 1 A 94 94 THR H H 93 7.427 7.686 -0.259 1 1 1267 . 10 1 1 A 94 94 THR HA H 93 4.464 4.814 -0.350 1 1 1272 . 10 1 1 A 94 94 THR CA C 93 61.032 59.416 1.616 1 1 1273 . 10 1 1 A 94 94 THR CB C 93 70.505 72.699 -2.194 1 1 1275 . 10 1 1 A 94 94 THR N N 93 119.172 114.909 4.263 1 1 1276 . 10 1 1 A 95 95 PRO HA H 94 4.426 4.815 -0.389 1 1 1283 . 10 1 1 A 95 95 PRO C C 94 178.692 178.049 0.643 1 1 1284 . 10 1 1 A 95 95 PRO CA C 94 62.921 62.700 0.221 1 1 1285 . 10 1 1 A 95 95 PRO CB C 94 32.774 32.280 0.494 1 1 1288 . 10 1 1 A 96 96 ILE H H 95 9.324 9.068 0.256 1 1 1289 . 10 1 1 A 96 96 ILE HA H 95 3.956 3.991 -0.035 1 1 1299 . 10 1 1 A 96 96 ILE C C 95 176.415 176.925 -0.510 1 1 1300 . 10 1 1 A 96 96 ILE CA C 95 63.880 63.485 0.395 1 1 1301 . 10 1 1 A 96 96 ILE CB C 95 38.055 38.042 0.013 1 1 1305 . 10 1 1 A 96 96 ILE N N 95 123.862 125.761 -1.899 1 1 1306 . 10 1 1 A 97 97 SER H H 96 8.211 8.351 -0.140 1 1 1307 . 10 1 1 A 97 97 SER HA H 96 3.978 4.134 -0.156 1 1 1310 . 10 1 1 A 97 97 SER C C 96 176.494 177.315 -0.821 1 1 1311 . 10 1 1 A 97 97 SER CA C 96 61.576 61.578 -0.002 1 1 1312 . 10 1 1 A 97 97 SER CB C 96 61.262 62.458 -1.196 1 1 1313 . 10 1 1 A 97 97 SER N N 96 116.529 117.348 -0.819 1 1 1314 . 10 1 1 A 98 98 GLU H H 97 7.329 7.907 -0.578 1 1 1315 . 10 1 1 A 98 98 GLU HA H 97 4.290 4.263 0.027 1 1 1320 . 10 1 1 A 98 98 GLU C C 97 179.288 178.915 0.373 1 1 1321 . 10 1 1 A 98 98 GLU CA C 97 58.705 59.212 -0.507 1 1 1322 . 10 1 1 A 98 98 GLU CB C 97 29.791 30.191 -0.400 1 1 1324 . 10 1 1 A 98 98 GLU N N 97 122.955 122.787 0.168 1 1 1325 . 10 1 1 A 99 99 VAL H H 98 7.386 8.585 -1.199 1 1 1326 . 10 1 1 A 99 99 VAL HA H 98 3.815 3.811 0.004 1 1 1334 . 10 1 1 A 99 99 VAL C C 98 177.662 177.819 -0.157 1 1 1335 . 10 1 1 A 99 99 VAL CA C 98 65.774 65.882 -0.108 1 1 1336 . 10 1 1 A 99 99 VAL CB C 98 32.047 31.769 0.278 1 1 1339 . 10 1 1 A 99 99 VAL N N 98 120.888 120.748 0.140 1 1 1340 . 10 1 1 A 100 100 TYR H H 99 8.984 7.908 1.076 1 1 1341 . 10 1 1 A 100 100 TYR HA H 99 4.013 4.282 -0.269 1 1 1348 . 10 1 1 A 100 100 TYR C C 99 176.355 178.018 -1.663 1 1 1349 . 10 1 1 A 100 100 TYR CA C 99 62.118 60.928 1.190 1 1 1350 . 10 1 1 A 100 100 TYR CB C 99 38.921 38.488 0.433 1 1 1353 . 10 1 1 A 100 100 TYR N N 99 118.874 121.118 -2.244 1 1 1354 . 10 1 1 A 101 101 GLU H H 100 7.433 8.228 -0.795 1 1 1355 . 10 1 1 A 101 101 GLU HA H 100 3.833 4.111 -0.278 1 1 1360 . 10 1 1 A 101 101 GLU C C 100 177.674 176.834 0.840 1 1 1361 . 10 1 1 A 101 101 GLU CA C 100 58.895 57.751 1.144 1 1 1362 . 10 1 1 A 101 101 GLU CB C 100 29.577 29.042 0.535 1 1 1364 . 10 1 1 A 101 101 GLU N N 100 114.383 117.640 -3.257 1 1 1365 . 10 1 1 A 102 102 SER H H 101 7.423 8.027 -0.604 1 1 1366 . 10 1 1 A 102 102 SER HA H 101 4.552 4.720 -0.168 1 1 1369 . 10 1 1 A 102 102 SER C C 101 176.554 174.811 1.743 1 1 1370 . 10 1 1 A 102 102 SER CA C 101 60.200 58.432 1.768 1 1 1371 . 10 1 1 A 102 102 SER CB C 101 64.828 64.163 0.665 1 1 1372 . 10 1 1 A 102 102 SER N N 101 108.722 115.196 -6.474 1 1 1373 . 10 1 1 A 103 103 GLU H H 102 8.488 8.023 0.465 1 1 1374 . 10 1 1 A 103 103 GLU HA H 102 4.752 4.502 0.250 1 1 1379 . 10 1 1 A 103 103 GLU C C 102 176.653 176.353 0.300 1 1 1380 . 10 1 1 A 103 103 GLU CA C 102 55.464 57.314 -1.850 1 1 1381 . 10 1 1 A 103 103 GLU CB C 102 30.611 32.375 -1.764 1 1 1383 . 10 1 1 A 103 103 GLU N N 102 116.116 118.626 -2.510 1 1 1384 . 10 1 1 A 104 104 ARG H H 103 7.511 7.743 -0.232 1 1 1385 . 10 1 1 A 104 104 ARG HA H 103 4.241 4.205 0.036 1 1 1392 . 10 1 1 A 104 104 ARG C C 103 174.634 175.680 -1.046 1 1 1393 . 10 1 1 A 104 104 ARG CA C 103 56.926 56.236 0.690 1 1 1394 . 10 1 1 A 104 104 ARG CB C 103 29.713 30.108 -0.395 1 1 1397 . 10 1 1 A 104 104 ARG N N 103 117.180 118.258 -1.078 1 1 1398 . 10 1 1 A 105 105 ASP H H 104 9.069 8.877 0.192 1 1 1399 . 10 1 1 A 105 105 ASP HA H 104 4.774 5.093 -0.319 1 1 1402 . 10 1 1 A 105 105 ASP C C 104 177.460 176.938 0.522 1 1 1403 . 10 1 1 A 105 105 ASP CA C 104 53.852 52.471 1.381 1 1 1404 . 10 1 1 A 105 105 ASP CB C 104 43.424 43.436 -0.012 1 1 1405 . 10 1 1 A 105 105 ASP N N 104 123.349 122.039 1.310 1 1 1406 . 10 1 1 A 106 106 GLU H H 105 8.982 8.978 0.004 1 1 1407 . 10 1 1 A 106 106 GLU HA H 105 4.199 4.024 0.175 1 1 1412 . 10 1 1 A 106 106 GLU C C 105 177.398 178.055 -0.657 1 1 1413 . 10 1 1 A 106 106 GLU CA C 105 59.413 59.970 -0.557 1 1 1414 . 10 1 1 A 106 106 GLU CB C 105 29.983 29.588 0.395 1 1 1416 . 10 1 1 A 106 106 GLU N N 105 125.197 121.071 4.126 1 1 1417 . 10 1 1 A 107 107 ASP H H 106 9.873 8.086 1.787 1 1 1418 . 10 1 1 A 107 107 ASP HA H 106 4.211 4.026 0.185 1 1 1421 . 10 1 1 A 107 107 ASP C C 106 175.775 176.688 -0.913 1 1 1422 . 10 1 1 A 107 107 ASP CA C 106 54.698 54.943 -0.245 1 1 1423 . 10 1 1 A 107 107 ASP CB C 106 40.187 41.400 -1.213 1 1 1424 . 10 1 1 A 107 107 ASP N N 106 118.717 116.751 1.966 1 1 1425 . 10 1 1 A 108 108 GLY H H 107 7.971 8.390 -0.419 1 1 1426 . 10 1 1 A 108 108 GLY HA2 H 107 3.431 3.870 -0.439 1 1 1427 . 10 1 1 A 108 108 GLY HA3 H 107 4.526 3.897 0.629 1 1 1428 . 10 1 1 A 108 108 GLY C C 107 175.138 173.908 1.230 1 1 1429 . 10 1 1 A 108 108 GLY CA C 107 45.029 45.478 -0.449 1 1 1430 . 10 1 1 A 108 108 GLY N N 107 105.017 108.685 -3.668 1 1 1431 . 10 1 1 A 109 109 PHE H H 108 9.799 8.138 1.661 1 1 1432 . 10 1 1 A 109 109 PHE HA H 108 4.607 4.723 -0.116 1 1 1440 . 10 1 1 A 109 109 PHE C C 108 175.171 174.634 0.537 1 1 1441 . 10 1 1 A 109 109 PHE CA C 108 60.222 57.003 3.219 1 1 1442 . 10 1 1 A 109 109 PHE CB C 108 40.433 41.051 -0.618 1 1 1446 . 10 1 1 A 109 109 PHE N N 108 123.309 119.570 3.739 1 1 1447 . 10 1 1 A 110 110 LEU H H 109 8.061 9.143 -1.082 1 1 1448 . 10 1 1 A 110 110 LEU HA H 109 5.022 4.451 0.571 1 1 1458 . 10 1 1 A 110 110 LEU C C 109 174.033 175.906 -1.873 1 1 1459 . 10 1 1 A 110 110 LEU CA C 109 53.539 55.119 -1.580 1 1 1460 . 10 1 1 A 110 110 LEU CB C 109 45.284 42.339 2.945 1 1 1464 . 10 1 1 A 110 110 LEU N N 109 119.999 125.852 -5.853 1 1 1465 . 10 1 1 A 111 111 TYR H H 110 9.363 9.344 0.019 1 1 1466 . 10 1 1 A 111 111 TYR HA H 110 4.906 5.075 -0.169 1 1 1473 . 10 1 1 A 111 111 TYR C C 110 176.538 174.956 1.582 1 1 1474 . 10 1 1 A 111 111 TYR CA C 110 59.335 56.615 2.720 1 1 1475 . 10 1 1 A 111 111 TYR CB C 110 39.485 40.626 -1.141 1 1 1478 . 10 1 1 A 111 111 TYR N N 110 126.322 124.029 2.293 1 1 1479 . 10 1 1 A 112 112 MET H H 111 9.496 8.959 0.537 1 1 1480 . 10 1 1 A 112 112 MET HA H 111 5.522 5.440 0.082 1 1 1488 . 10 1 1 A 112 112 MET C C 111 175.676 174.639 1.037 1 1 1489 . 10 1 1 A 112 112 MET CA C 111 54.216 54.377 -0.161 1 1 1490 . 10 1 1 A 112 112 MET CB C 111 36.821 37.162 -0.341 1 1 1493 . 10 1 1 A 112 112 MET N N 111 119.003 121.631 -2.628 1 1 1494 . 10 1 1 A 113 113 VAL H H 112 8.749 9.193 -0.444 1 1 1495 . 10 1 1 A 113 113 VAL HA H 112 5.967 5.177 0.790 1 1 1503 . 10 1 1 A 113 113 VAL C C 112 174.893 175.136 -0.243 1 1 1504 . 10 1 1 A 113 113 VAL CA C 112 58.896 61.216 -2.320 1 1 1505 . 10 1 1 A 113 113 VAL CB C 112 36.149 34.756 1.393 1 1 1508 . 10 1 1 A 113 113 VAL N N 112 119.658 121.273 -1.615 1 1 1509 . 10 1 1 A 114 114 TYR H H 113 8.210 8.447 -0.237 1 1 1510 . 10 1 1 A 114 114 TYR HA H 113 6.141 6.184 -0.043 1 1 1517 . 10 1 1 A 114 114 TYR C C 113 173.353 174.339 -0.986 1 1 1518 . 10 1 1 A 114 114 TYR CA C 113 54.161 55.253 -1.092 1 1 1519 . 10 1 1 A 114 114 TYR CB C 113 43.538 42.154 1.384 1 1 1522 . 10 1 1 A 114 114 TYR N N 113 118.947 124.938 -5.991 1 1 1523 . 10 1 1 A 115 115 ALA H H 114 8.483 9.338 -0.855 1 1 1524 . 10 1 1 A 115 115 ALA HA H 114 4.762 4.762 0.000 1 1 1528 . 10 1 1 A 115 115 ALA C C 114 176.033 177.170 -1.137 1 1 1529 . 10 1 1 A 115 115 ALA CA C 114 51.223 51.255 -0.032 1 1 1530 . 10 1 1 A 115 115 ALA CB C 114 24.521 22.839 1.682 1 1 1531 . 10 1 1 A 115 115 ALA N N 114 119.557 121.618 -2.061 1 1 1532 . 10 1 1 A 116 116 SER H H 115 9.835 8.744 1.091 1 1 1533 . 10 1 1 A 116 116 SER HA H 115 4.497 5.018 -0.521 1 1 1536 . 10 1 1 A 116 116 SER C C 115 172.664 173.548 -0.884 1 1 1537 . 10 1 1 A 116 116 SER CA C 115 58.669 58.053 0.616 1 1 1538 . 10 1 1 A 116 116 SER CB C 115 63.570 63.617 -0.047 1 1 1539 . 10 1 1 A 116 116 SER N N 115 114.435 114.074 0.361 1 1 1540 . 10 1 1 A 117 117 GLN H H 116 7.180 7.347 -0.167 1 1 1541 . 10 1 1 A 117 117 GLN HA H 116 4.460 4.664 -0.204 1 1 1548 . 10 1 1 A 117 117 GLN C C 116 172.901 175.098 -2.197 1 1 1549 . 10 1 1 A 117 117 GLN CA C 116 53.974 54.761 -0.787 1 1 1550 . 10 1 1 A 117 117 GLN CB C 116 32.192 31.598 0.594 1 1 1553 . 10 1 1 A 117 117 GLN N N 116 116.449 119.452 -3.003 1 1 1555 . 10 1 1 A 118 118 GLU H H 117 7.878 8.341 -0.463 1 1 1556 . 10 1 1 A 118 118 GLU HA H 117 3.259 4.524 -1.265 1 1 1561 . 10 1 1 A 118 118 GLU C C 117 175.233 177.245 -2.012 1 1 1562 . 10 1 1 A 118 118 GLU CA C 117 56.890 56.069 0.821 1 1 1563 . 10 1 1 A 118 118 GLU CB C 117 30.325 30.057 0.268 1 1 1565 . 10 1 1 A 118 118 GLU N N 117 117.687 123.699 -6.012 1 1 1566 . 10 1 1 A 119 119 THR H H 118 6.968 7.521 -0.553 1 1 1567 . 10 1 1 A 119 119 THR HA H 118 4.082 4.436 -0.354 1 1 1572 . 10 1 1 A 119 119 THR C C 118 173.134 176.455 -3.321 1 1 1573 . 10 1 1 A 119 119 THR CA C 118 60.123 62.756 -2.633 1 1 1574 . 10 1 1 A 119 119 THR CB C 118 70.147 69.793 0.354 1 1 1576 . 10 1 1 A 119 119 THR N N 118 109.548 108.432 1.116 1 1 1577 . 10 1 1 A 120 120 PHE H H 119 8.138 8.228 -0.090 1 1 1578 . 10 1 1 A 120 120 PHE HA H 119 4.436 4.340 0.096 1 1 1586 . 10 1 1 A 120 120 PHE C C 119 174.902 176.980 -2.078 1 1 1587 . 10 1 1 A 120 120 PHE CA C 119 56.750 59.682 -2.932 1 1 1588 . 10 1 1 A 120 120 PHE CB C 119 39.411 39.413 -0.002 1 1 1592 . 10 1 1 A 120 120 PHE N N 119 121.777 118.862 2.915 1 1 1607 . 10 2 2 B 2 2 SER H H 332 8.471 8.548 -0.077 1 1 1608 . 10 2 2 B 2 2 SER HA H 332 4.484 4.646 -0.162 1 1 1611 . 10 2 2 B 2 2 SER C C 332 174.962 175.190 -0.228 1 1 1612 . 10 2 2 B 2 2 SER CA C 332 88.436 56.998 31.438 1 1 1613 . 10 2 2 B 2 2 SER CB C 332 93.927 63.607 30.320 1 1 1614 . 10 2 2 B 2 2 SER N N 332 147.261 115.619 31.642 1 1 1615 . 10 2 2 B 3 3 GLY H H 333 8.601 9.048 -0.447 1 1 1616 . 10 2 2 B 3 3 GLY HA2 H 333 4.022 4.199 -0.177 1 1 1617 . 10 2 2 B 3 3 GLY HA3 H 333 4.022 4.201 -0.179 1 1 1618 . 10 2 2 B 3 3 GLY C C 333 174.774 174.543 0.231 1 1 1619 . 10 2 2 B 3 3 GLY CA C 333 75.465 45.452 30.013 1 1 1620 . 10 2 2 B 3 3 GLY N N 333 141.077 115.461 25.616 1 1 1621 . 10 2 2 B 4 4 GLY H H 334 8.372 7.985 0.387 1 1 1622 . 10 2 2 B 4 4 GLY HA2 H 334 3.980 4.063 -0.083 1 1 1623 . 10 2 2 B 4 4 GLY HA3 H 334 3.980 4.068 -0.088 1 1 1624 . 10 2 2 B 4 4 GLY C C 334 174.758 174.381 0.377 1 1 1625 . 10 2 2 B 4 4 GLY CA C 334 75.674 45.017 30.657 1 1 1626 . 10 2 2 B 4 4 GLY N N 334 138.894 107.159 31.735 1 1 1627 . 10 2 2 B 5 5 ASP H H 335 8.429 8.503 -0.074 1 1 1628 . 10 2 2 B 5 5 ASP HA H 335 4.610 4.979 -0.369 1 1 1631 . 10 2 2 B 5 5 ASP CA C 335 85.066 53.221 31.845 1 1 1632 . 10 2 2 B 5 5 ASP CB C 335 71.191 39.337 31.854 1 1 1633 . 10 2 2 B 5 5 ASP N N 335 149.637 120.688 28.949 1 1 1634 . 10 2 2 B 6 6 ASP H H 336 8.244 8.104 0.140 1 1 1635 . 10 2 2 B 6 6 ASP HA H 336 4.559 4.288 0.271 1 1 1638 . 10 2 2 B 6 6 ASP C C 336 175.432 176.131 -0.699 1 1 1639 . 10 2 2 B 6 6 ASP CA C 336 84.708 57.801 26.907 1 1 1640 . 10 2 2 B 6 6 ASP CB C 336 71.552 40.960 30.592 1 1 1641 . 10 2 2 B 6 6 ASP N N 336 148.885 121.790 27.095 1 1 1642 . 10 2 2 B 7 7 ASP H H 337 7.803 7.910 -0.107 1 1 1643 . 10 2 2 B 7 7 ASP HA H 337 4.655 4.875 -0.220 1 1 1646 . 10 2 2 B 7 7 ASP C C 337 175.362 176.210 -0.848 1 1 1647 . 10 2 2 B 7 7 ASP CA C 337 83.670 52.813 30.857 1 1 1648 . 10 2 2 B 7 7 ASP CB C 337 71.933 43.259 28.674 1 1 1649 . 10 2 2 B 7 7 ASP N N 337 149.563 113.910 35.653 1 1 1650 . 10 2 2 B 8 8 TRP H H 338 8.472 8.564 -0.092 1 1 1651 . 10 2 2 B 8 8 TRP HA H 338 4.174 4.318 -0.144 1 1 1660 . 10 2 2 B 8 8 TRP C C 338 175.959 176.678 -0.719 1 1 1661 . 10 2 2 B 8 8 TRP CA C 338 87.020 59.926 27.094 1 1 1662 . 10 2 2 B 8 8 TRP CB C 338 61.223 29.714 31.509 1 1 1668 . 10 2 2 B 8 8 TRP N N 338 150.172 126.104 24.068 1 1 1670 . 10 2 2 B 9 9 THR H H 339 7.994 7.588 0.406 1 1 1671 . 10 2 2 B 9 9 THR HA H 339 4.533 4.411 0.122 1 1 1676 . 10 2 2 B 9 9 THR C C 339 174.035 172.289 1.746 1 1 1677 . 10 2 2 B 9 9 THR CA C 339 92.659 61.309 31.350 1 1 1678 . 10 2 2 B 9 9 THR CB C 339 99.436 71.598 27.838 1 1 1680 . 10 2 2 B 9 9 THR N N 339 149.503 109.697 39.806 1 1 1681 . 10 2 2 B 10 10 HIS H H 340 9.463 7.983 1.480 1 1 1682 . 10 2 2 B 10 10 HIS HA H 340 4.677 4.794 -0.117 1 1 1687 . 10 2 2 B 10 10 HIS C C 340 175.606 175.074 0.532 1 1 1688 . 10 2 2 B 10 10 HIS CA C 340 87.024 55.471 31.553 1 1 1689 . 10 2 2 B 10 10 HIS CB C 340 61.368 30.265 31.103 1 1 1692 . 10 2 2 B 10 10 HIS N N 340 159.135 125.502 33.633 1 1 1693 . 10 2 2 B 11 11 LEU H H 341 8.398 8.812 -0.414 1 1 1694 . 10 2 2 B 11 11 LEU HA H 341 4.848 4.565 0.283 1 1 1704 . 10 2 2 B 11 11 LEU C C 341 175.919 175.903 0.016 1 1 1705 . 10 2 2 B 11 11 LEU CA C 341 83.684 54.866 28.818 1 1 1706 . 10 2 2 B 11 11 LEU CB C 341 73.601 41.306 32.295 1 1 1710 . 10 2 2 B 11 11 LEU N N 341 153.300 126.662 26.638 1 1 1711 . 10 2 2 B 12 12 SER H H 342 8.382 8.911 -0.529 1 1 1712 . 10 2 2 B 12 12 SER HA H 342 4.652 5.101 -0.449 1 1 1715 . 10 2 2 B 12 12 SER C C 342 174.263 174.898 -0.635 1 1 1716 . 10 2 2 B 12 12 SER CA C 342 86.841 57.605 29.236 1 1 1717 . 10 2 2 B 12 12 SER CB C 342 95.113 64.397 30.716 1 1 1718 . 10 2 2 B 12 12 SER N N 342 144.018 123.145 20.873 1 1 1719 . 10 2 2 B 13 13 SER H H 343 8.937 9.013 -0.076 1 1 1720 . 10 2 2 B 13 13 SER HA H 343 4.291 4.579 -0.288 1 1 1723 . 10 2 2 B 13 13 SER C C 343 174.652 174.935 -0.283 1 1 1724 . 10 2 2 B 13 13 SER CA C 343 89.546 59.362 30.184 1 1 1725 . 10 2 2 B 13 13 SER CB C 343 93.470 63.389 30.081 1 1 1726 . 10 2 2 B 13 13 SER N N 343 148.575 121.002 27.573 1 1 1727 . 10 2 2 B 14 14 LYS H H 344 8.250 8.106 0.144 1 1 1728 . 10 2 2 B 14 14 LYS HA H 344 4.319 4.396 -0.077 1 1 1737 . 10 2 2 B 14 14 LYS C C 344 176.699 177.477 -0.778 1 1 1738 . 10 2 2 B 14 14 LYS CA C 344 86.716 57.348 29.368 1 1 1739 . 10 2 2 B 14 14 LYS CB C 344 62.831 33.627 29.204 1 1 1743 . 10 2 2 B 14 14 LYS N N 344 151.908 119.348 32.560 1 1 1744 . 10 2 2 B 15 15 GLU H H 345 8.256 7.687 0.569 1 1 1745 . 10 2 2 B 15 15 GLU HA H 345 4.240 4.424 -0.184 1 1 1750 . 10 2 2 B 15 15 GLU C C 345 176.152 176.192 -0.040 1 1 1751 . 10 2 2 B 15 15 GLU CA C 345 87.152 56.259 30.893 1 1 1752 . 10 2 2 B 15 15 GLU CB C 345 60.176 30.518 29.658 1 1 1754 . 10 2 2 B 15 15 GLU N N 345 150.679 118.036 32.643 1 1 1755 . 10 2 2 B 16 16 VAL H H 346 7.762 7.298 0.464 1 1 1756 . 10 2 2 B 16 16 VAL HA H 346 4.161 4.163 -0.002 1 1 1764 . 10 2 2 B 16 16 VAL C C 346 174.646 175.998 -1.352 1 1 1765 . 10 2 2 B 16 16 VAL CA C 346 91.707 60.854 30.853 1 1 1766 . 10 2 2 B 16 16 VAL CB C 346 63.107 33.889 29.218 1 1 1769 . 10 2 2 B 16 16 VAL N N 346 146.718 116.778 29.940 1 1 9 . 11 1 1 A 2 2 MET H H 1 8.414 7.446 0.968 1 1 10 . 11 1 1 A 2 2 MET HA H 1 4.826 4.504 0.322 1 1 18 . 11 1 1 A 2 2 MET CA C 1 53.382 54.262 -0.880 1 1 19 . 11 1 1 A 2 2 MET CB C 1 32.478 32.591 -0.113 1 1 22 . 11 1 1 A 2 2 MET N N 1 122.882 120.585 2.297 1 1 23 . 11 1 1 A 3 3 PRO HA H 2 4.425 4.386 0.039 1 1 30 . 11 1 1 A 3 3 PRO C C 2 176.847 176.793 0.054 1 1 31 . 11 1 1 A 3 3 PRO CA C 2 63.386 66.072 -2.686 1 1 32 . 11 1 1 A 3 3 PRO CB C 2 32.077 31.435 0.642 1 1 35 . 11 1 1 A 4 4 SER H H 3 8.347 7.978 0.369 1 1 36 . 11 1 1 A 4 4 SER HA H 3 4.391 4.449 -0.058 1 1 39 . 11 1 1 A 4 4 SER C C 3 174.643 173.942 0.701 1 1 40 . 11 1 1 A 4 4 SER CA C 3 58.336 58.409 -0.073 1 1 41 . 11 1 1 A 4 4 SER CB C 3 63.798 63.531 0.267 1 1 42 . 11 1 1 A 4 4 SER N N 3 115.234 113.544 1.690 1 1 43 . 11 1 1 A 5 5 GLU H H 4 8.472 8.399 0.073 1 1 44 . 11 1 1 A 5 5 GLU HA H 4 4.297 4.428 -0.131 1 1 49 . 11 1 1 A 5 5 GLU C C 4 176.352 176.476 -0.124 1 1 50 . 11 1 1 A 5 5 GLU CA C 4 56.572 56.113 0.459 1 1 51 . 11 1 1 A 5 5 GLU CB C 4 30.285 30.777 -0.492 1 1 53 . 11 1 1 A 5 5 GLU N N 4 123.045 121.834 1.211 1 1 54 . 11 1 1 A 6 6 LYS H H 5 8.214 8.351 -0.137 1 1 55 . 11 1 1 A 6 6 LYS HA H 5 4.500 4.278 0.222 1 1 64 . 11 1 1 A 6 6 LYS C C 5 177.243 176.619 0.624 1 1 65 . 11 1 1 A 6 6 LYS CA C 5 55.943 56.860 -0.917 1 1 66 . 11 1 1 A 6 6 LYS CB C 5 34.621 33.452 1.169 1 1 70 . 11 1 1 A 6 6 LYS N N 5 121.467 122.239 -0.772 1 1 71 . 11 1 1 A 7 7 THR H H 6 8.431 8.305 0.126 1 1 72 . 11 1 1 A 7 7 THR HA H 6 4.383 5.013 -0.630 1 1 77 . 11 1 1 A 7 7 THR C C 6 175.360 176.320 -0.960 1 1 78 . 11 1 1 A 7 7 THR CA C 6 61.124 59.510 1.614 1 1 79 . 11 1 1 A 7 7 THR CB C 6 69.863 71.741 -1.878 1 1 81 . 11 1 1 A 7 7 THR N N 6 114.691 112.176 2.515 1 1 82 . 11 1 1 A 8 8 PHE H H 7 10.194 9.453 0.741 1 1 83 . 11 1 1 A 8 8 PHE HA H 7 3.904 4.238 -0.334 1 1 88 . 11 1 1 A 8 8 PHE C C 7 177.000 177.680 -0.680 1 1 89 . 11 1 1 A 8 8 PHE CA C 7 63.388 60.527 2.861 1 1 90 . 11 1 1 A 8 8 PHE CB C 7 39.586 38.769 0.817 1 1 92 . 11 1 1 A 8 8 PHE N N 7 124.861 123.263 1.598 1 1 93 . 11 1 1 A 9 9 LYS H H 8 8.707 8.355 0.352 1 1 94 . 11 1 1 A 9 9 LYS HA H 8 3.761 3.941 -0.180 1 1 103 . 11 1 1 A 9 9 LYS C C 8 177.496 178.687 -1.191 1 1 104 . 11 1 1 A 9 9 LYS CA C 8 59.945 59.212 0.733 1 1 105 . 11 1 1 A 9 9 LYS CB C 8 33.870 31.984 1.886 1 1 109 . 11 1 1 A 9 9 LYS N N 8 114.189 117.540 -3.351 1 1 110 . 11 1 1 A 10 10 GLN H H 9 7.284 8.221 -0.937 1 1 111 . 11 1 1 A 10 10 GLN HA H 9 4.113 4.198 -0.085 1 1 118 . 11 1 1 A 10 10 GLN C C 9 177.416 178.267 -0.851 1 1 119 . 11 1 1 A 10 10 GLN CA C 9 56.743 57.927 -1.184 1 1 120 . 11 1 1 A 10 10 GLN CB C 9 30.002 29.079 0.923 1 1 123 . 11 1 1 A 10 10 GLN N N 9 112.843 119.081 -6.238 1 1 125 . 11 1 1 A 11 11 ARG H H 10 7.889 8.306 -0.417 1 1 126 . 11 1 1 A 11 11 ARG HA H 10 4.255 3.950 0.305 1 1 133 . 11 1 1 A 11 11 ARG C C 10 175.059 176.673 -1.614 1 1 134 . 11 1 1 A 11 11 ARG CA C 10 57.018 59.498 -2.480 1 1 135 . 11 1 1 A 11 11 ARG CB C 10 31.628 30.321 1.307 1 1 138 . 11 1 1 A 11 11 ARG N N 10 117.567 120.798 -3.231 1 1 139 . 11 1 1 A 12 12 ARG H H 11 7.443 7.826 -0.383 1 1 140 . 11 1 1 A 12 12 ARG HA H 11 4.493 4.253 0.240 1 1 147 . 11 1 1 A 12 12 ARG CA C 11 54.172 56.782 -2.610 1 1 148 . 11 1 1 A 12 12 ARG CB C 11 32.857 30.720 2.137 1 1 151 . 11 1 1 A 12 12 ARG N N 11 122.786 120.307 2.479 1 1 152 . 11 1 1 A 13 13 SER HA H 12 4.403 4.465 -0.062 1 1 155 . 11 1 1 A 13 13 SER C C 12 174.222 175.475 -1.253 1 1 156 . 11 1 1 A 13 13 SER CA C 12 58.274 59.976 -1.702 1 1 157 . 11 1 1 A 13 13 SER CB C 12 64.821 63.425 1.396 1 1 158 . 11 1 1 A 14 14 PHE H H 13 9.239 9.258 -0.019 1 1 159 . 11 1 1 A 14 14 PHE HA H 13 4.035 4.080 -0.045 1 1 165 . 11 1 1 A 14 14 PHE C C 13 176.023 177.026 -1.003 1 1 166 . 11 1 1 A 14 14 PHE CA C 13 62.790 62.780 0.010 1 1 167 . 11 1 1 A 14 14 PHE CB C 13 39.580 39.886 -0.306 1 1 169 . 11 1 1 A 14 14 PHE N N 13 123.729 126.092 -2.363 1 1 170 . 11 1 1 A 15 15 GLU H H 14 9.093 8.531 0.562 1 1 171 . 11 1 1 A 15 15 GLU HA H 14 3.813 3.929 -0.116 1 1 176 . 11 1 1 A 15 15 GLU C C 14 179.549 178.612 0.937 1 1 177 . 11 1 1 A 15 15 GLU CA C 14 60.444 60.093 0.351 1 1 178 . 11 1 1 A 15 15 GLU CB C 14 28.804 29.218 -0.414 1 1 180 . 11 1 1 A 15 15 GLU N N 14 115.336 117.630 -2.294 1 1 181 . 11 1 1 A 16 16 GLN H H 15 7.752 8.362 -0.610 1 1 182 . 11 1 1 A 16 16 GLN HA H 15 4.044 4.226 -0.182 1 1 189 . 11 1 1 A 16 16 GLN C C 15 177.931 177.558 0.373 1 1 190 . 11 1 1 A 16 16 GLN CA C 15 58.486 58.073 0.413 1 1 191 . 11 1 1 A 16 16 GLN CB C 15 29.393 28.538 0.855 1 1 194 . 11 1 1 A 16 16 GLN N N 15 119.145 118.717 0.428 1 1 196 . 11 1 1 A 17 17 ARG H H 16 8.577 8.274 0.303 1 1 197 . 11 1 1 A 17 17 ARG HA H 16 4.280 4.362 -0.082 1 1 202 . 11 1 1 A 17 17 ARG C C 16 177.128 178.867 -1.739 1 1 203 . 11 1 1 A 17 17 ARG CA C 16 61.442 57.677 3.765 1 1 204 . 11 1 1 A 17 17 ARG N N 16 121.288 118.955 2.333 1 1 205 . 11 1 1 A 18 18 VAL H H 17 8.329 8.126 0.203 1 1 206 . 11 1 1 A 18 18 VAL HA H 17 3.938 3.790 0.148 1 1 214 . 11 1 1 A 18 18 VAL C C 17 179.744 178.065 1.679 1 1 215 . 11 1 1 A 18 18 VAL CA C 17 65.441 65.125 0.316 1 1 216 . 11 1 1 A 18 18 VAL CB C 17 32.080 31.423 0.657 1 1 219 . 11 1 1 A 18 18 VAL N N 17 116.752 117.676 -0.924 1 1 220 . 11 1 1 A 19 19 GLU H H 18 7.445 7.974 -0.529 1 1 221 . 11 1 1 A 19 19 GLU HA H 18 4.270 4.066 0.204 1 1 226 . 11 1 1 A 19 19 GLU C C 18 177.625 178.395 -0.770 1 1 227 . 11 1 1 A 19 19 GLU CA C 18 58.637 58.868 -0.231 1 1 228 . 11 1 1 A 19 19 GLU CB C 18 29.398 29.724 -0.326 1 1 230 . 11 1 1 A 19 19 GLU N N 18 120.323 121.929 -1.606 1 1 231 . 11 1 1 A 20 20 ASP H H 19 8.690 8.028 0.662 1 1 232 . 11 1 1 A 20 20 ASP HA H 19 4.514 4.413 0.101 1 1 235 . 11 1 1 A 20 20 ASP C C 19 179.877 178.071 1.806 1 1 236 . 11 1 1 A 20 20 ASP CA C 19 57.224 57.088 0.136 1 1 237 . 11 1 1 A 20 20 ASP CB C 19 41.487 41.179 0.308 1 1 238 . 11 1 1 A 20 20 ASP N N 19 120.313 119.920 0.393 1 1 239 . 11 1 1 A 21 21 VAL H H 20 7.731 7.594 0.137 1 1 240 . 11 1 1 A 21 21 VAL HA H 20 3.394 3.332 0.062 1 1 248 . 11 1 1 A 21 21 VAL C C 20 176.989 178.075 -1.086 1 1 249 . 11 1 1 A 21 21 VAL CA C 20 65.989 65.209 0.780 1 1 250 . 11 1 1 A 21 21 VAL CB C 20 31.291 30.861 0.430 1 1 253 . 11 1 1 A 21 21 VAL N N 20 119.119 118.552 0.567 1 1 254 . 11 1 1 A 22 22 ARG H H 21 8.313 7.931 0.382 1 1 255 . 11 1 1 A 22 22 ARG HA H 21 3.825 3.947 -0.122 1 1 263 . 11 1 1 A 22 22 ARG C C 21 180.178 178.360 1.818 1 1 264 . 11 1 1 A 22 22 ARG CA C 21 59.821 58.857 0.964 1 1 265 . 11 1 1 A 22 22 ARG CB C 21 30.164 30.041 0.123 1 1 269 . 11 1 1 A 22 22 ARG N N 21 120.772 121.575 -0.803 1 1 271 . 11 1 1 A 23 23 LEU H H 22 8.306 8.244 0.062 1 1 272 . 11 1 1 A 23 23 LEU HA H 22 4.076 3.923 0.153 1 1 282 . 11 1 1 A 23 23 LEU C C 22 180.221 179.033 1.188 1 1 283 . 11 1 1 A 23 23 LEU CA C 22 57.541 58.028 -0.487 1 1 284 . 11 1 1 A 23 23 LEU CB C 22 42.300 41.592 0.708 1 1 288 . 11 1 1 A 23 23 LEU N N 22 116.413 119.400 -2.987 1 1 289 . 11 1 1 A 24 24 ILE H H 23 7.864 8.105 -0.241 1 1 290 . 11 1 1 A 24 24 ILE HA H 23 4.090 3.842 0.248 1 1 300 . 11 1 1 A 24 24 ILE C C 23 177.922 178.425 -0.503 1 1 301 . 11 1 1 A 24 24 ILE CA C 23 60.190 64.614 -4.424 1 1 302 . 11 1 1 A 24 24 ILE CB C 23 38.072 37.372 0.700 1 1 306 . 11 1 1 A 24 24 ILE N N 23 121.259 117.881 3.378 1 1 307 . 11 1 1 A 25 25 ARG H H 24 8.339 8.362 -0.023 1 1 308 . 11 1 1 A 25 25 ARG HA H 24 3.973 4.022 -0.049 1 1 316 . 11 1 1 A 25 25 ARG C C 24 178.479 178.173 0.306 1 1 317 . 11 1 1 A 25 25 ARG CA C 24 57.337 59.414 -2.077 1 1 318 . 11 1 1 A 25 25 ARG CB C 24 28.663 30.133 -1.470 1 1 322 . 11 1 1 A 25 25 ARG N N 24 121.816 121.251 0.565 1 1 324 . 11 1 1 A 26 26 GLU H H 25 7.133 8.463 -1.330 1 1 325 . 11 1 1 A 26 26 GLU HA H 25 4.052 4.263 -0.211 1 1 330 . 11 1 1 A 26 26 GLU C C 25 178.158 177.028 1.130 1 1 331 . 11 1 1 A 26 26 GLU CA C 25 58.367 57.341 1.026 1 1 332 . 11 1 1 A 26 26 GLU CB C 25 29.903 30.035 -0.132 1 1 334 . 11 1 1 A 26 26 GLU N N 25 116.794 117.207 -0.413 1 1 335 . 11 1 1 A 27 27 GLN H H 26 7.283 8.148 -0.865 1 1 336 . 11 1 1 A 27 27 GLN HA H 26 3.888 4.395 -0.507 1 1 343 . 11 1 1 A 27 27 GLN C C 26 176.088 175.976 0.112 1 1 344 . 11 1 1 A 27 27 GLN CA C 26 57.676 57.229 0.447 1 1 345 . 11 1 1 A 27 27 GLN CB C 26 30.382 30.456 -0.074 1 1 348 . 11 1 1 A 27 27 GLN N N 26 116.373 118.061 -1.688 1 1 350 . 11 1 1 A 28 28 HIS H H 27 8.223 8.577 -0.354 1 1 351 . 11 1 1 A 28 28 HIS HA H 27 4.941 5.064 -0.123 1 1 356 . 11 1 1 A 28 28 HIS CA C 27 53.278 53.155 0.123 1 1 357 . 11 1 1 A 28 28 HIS CB C 27 30.933 29.842 1.091 1 1 360 . 11 1 1 A 28 28 HIS N N 27 115.408 116.264 -0.856 1 1 361 . 11 1 1 A 29 29 PRO HA H 28 4.562 4.359 0.203 1 1 368 . 11 1 1 A 29 29 PRO C C 28 178.046 177.621 0.425 1 1 369 . 11 1 1 A 29 29 PRO CA C 28 64.821 64.458 0.363 1 1 370 . 11 1 1 A 29 29 PRO CB C 28 32.447 31.981 0.466 1 1 373 . 11 1 1 A 30 30 THR H H 29 7.820 7.754 0.066 1 1 374 . 11 1 1 A 30 30 THR HA H 29 4.583 4.364 0.219 1 1 379 . 11 1 1 A 30 30 THR C C 29 172.723 173.298 -0.575 1 1 380 . 11 1 1 A 30 30 THR CA C 29 60.826 61.519 -0.693 1 1 381 . 11 1 1 A 30 30 THR CB C 29 68.641 69.149 -0.508 1 1 383 . 11 1 1 A 30 30 THR N N 29 106.682 107.878 -1.196 1 1 384 . 11 1 1 A 31 31 LYS H H 30 7.453 7.139 0.314 1 1 385 . 11 1 1 A 31 31 LYS HA H 30 4.850 4.832 0.018 1 1 394 . 11 1 1 A 31 31 LYS C C 30 174.296 174.856 -0.560 1 1 395 . 11 1 1 A 31 31 LYS CA C 30 53.944 54.717 -0.773 1 1 396 . 11 1 1 A 31 31 LYS CB C 30 36.098 37.677 -1.579 1 1 400 . 11 1 1 A 31 31 LYS N N 30 117.809 120.344 -2.535 1 1 401 . 11 1 1 A 32 32 ILE H H 31 9.265 9.346 -0.081 1 1 402 . 11 1 1 A 32 32 ILE HA H 31 4.106 4.122 -0.016 1 1 412 . 11 1 1 A 32 32 ILE CA C 31 54.606 57.282 -2.676 1 1 413 . 11 1 1 A 32 32 ILE CB C 31 38.448 39.736 -1.288 1 1 417 . 11 1 1 A 32 32 ILE N N 31 122.497 121.790 0.707 1 1 418 . 11 1 1 A 33 33 PRO HA H 32 5.252 4.877 0.375 1 1 425 . 11 1 1 A 33 33 PRO C C 32 174.652 176.675 -2.023 1 1 426 . 11 1 1 A 33 33 PRO CA C 32 61.704 62.486 -0.782 1 1 427 . 11 1 1 A 33 33 PRO CB C 32 31.873 31.749 0.124 1 1 430 . 11 1 1 A 34 34 VAL H H 33 9.359 8.358 1.001 1 1 431 . 11 1 1 A 34 34 VAL HA H 33 5.298 5.065 0.233 1 1 439 . 11 1 1 A 34 34 VAL C C 33 173.633 174.802 -1.169 1 1 440 . 11 1 1 A 34 34 VAL CA C 33 59.830 59.581 0.249 1 1 441 . 11 1 1 A 34 34 VAL CB C 33 36.154 36.108 0.046 1 1 444 . 11 1 1 A 34 34 VAL N N 33 124.496 116.729 7.767 1 1 445 . 11 1 1 A 35 35 ILE H H 34 8.667 9.079 -0.412 1 1 446 . 11 1 1 A 35 35 ILE HA H 34 4.867 4.872 -0.005 1 1 456 . 11 1 1 A 35 35 ILE C C 34 175.770 174.778 0.992 1 1 457 . 11 1 1 A 35 35 ILE CA C 34 56.320 60.069 -3.749 1 1 458 . 11 1 1 A 35 35 ILE CB C 34 36.909 39.351 -2.442 1 1 462 . 11 1 1 A 35 35 ILE N N 34 127.447 122.420 5.027 1 1 463 . 11 1 1 A 36 36 ILE H H 35 8.422 8.748 -0.326 1 1 464 . 11 1 1 A 36 36 ILE HA H 35 4.890 5.102 -0.212 1 1 474 . 11 1 1 A 36 36 ILE C C 35 175.098 175.739 -0.641 1 1 475 . 11 1 1 A 36 36 ILE CA C 35 60.806 60.234 0.572 1 1 476 . 11 1 1 A 36 36 ILE CB C 35 39.357 38.396 0.961 1 1 480 . 11 1 1 A 36 36 ILE N N 35 124.267 128.613 -4.346 1 1 481 . 11 1 1 A 37 37 GLU H H 36 8.335 8.628 -0.293 1 1 482 . 11 1 1 A 37 37 GLU HA H 36 4.820 4.866 -0.046 1 1 487 . 11 1 1 A 37 37 GLU C C 36 173.502 175.485 -1.983 1 1 488 . 11 1 1 A 37 37 GLU CA C 36 54.214 54.199 0.015 1 1 489 . 11 1 1 A 37 37 GLU CB C 36 35.547 33.770 1.777 1 1 491 . 11 1 1 A 37 37 GLU N N 36 123.296 125.618 -2.322 1 1 492 . 11 1 1 A 38 38 ARG H H 37 8.891 8.112 0.779 1 1 493 . 11 1 1 A 38 38 ARG HA H 37 2.755 3.487 -0.732 1 1 501 . 11 1 1 A 38 38 ARG C C 37 176.165 175.383 0.782 1 1 502 . 11 1 1 A 38 38 ARG CA C 37 56.235 55.827 0.408 1 1 503 . 11 1 1 A 38 38 ARG CB C 37 31.328 30.448 0.880 1 1 507 . 11 1 1 A 38 38 ARG N N 37 123.143 120.825 2.318 1 1 509 . 11 1 1 A 39 39 TYR H H 38 8.681 7.949 0.732 1 1 510 . 11 1 1 A 39 39 TYR HA H 38 4.331 4.418 -0.087 1 1 517 . 11 1 1 A 39 39 TYR C C 38 177.064 175.341 1.723 1 1 518 . 11 1 1 A 39 39 TYR CA C 38 57.769 58.997 -1.228 1 1 519 . 11 1 1 A 39 39 TYR CB C 38 39.552 39.025 0.527 1 1 522 . 11 1 1 A 39 39 TYR N N 38 128.699 122.659 6.040 1 1 523 . 11 1 1 A 40 40 LYS H H 39 8.454 7.850 0.604 1 1 524 . 11 1 1 A 40 40 LYS HA H 39 3.841 3.923 -0.082 1 1 533 . 11 1 1 A 40 40 LYS C C 39 176.290 176.716 -0.426 1 1 534 . 11 1 1 A 40 40 LYS CA C 39 58.772 56.662 2.110 1 1 535 . 11 1 1 A 40 40 LYS CB C 39 31.738 31.371 0.367 1 1 539 . 11 1 1 A 40 40 LYS N N 39 130.022 123.014 7.008 1 1 540 . 11 1 1 A 41 41 GLY H H 40 5.457 8.654 -3.197 1 1 541 . 11 1 1 A 41 41 GLY HA2 H 40 3.306 4.032 -0.726 1 1 542 . 11 1 1 A 41 41 GLY HA3 H 40 3.999 4.122 -0.123 1 1 543 . 11 1 1 A 41 41 GLY C C 40 173.426 174.067 -0.641 1 1 544 . 11 1 1 A 41 41 GLY CA C 40 44.673 45.300 -0.627 1 1 545 . 11 1 1 A 41 41 GLY N N 40 104.628 113.162 -8.534 1 1 546 . 11 1 1 A 42 42 GLU H H 41 7.440 8.220 -0.780 1 1 547 . 11 1 1 A 42 42 GLU HA H 41 4.278 4.648 -0.370 1 1 552 . 11 1 1 A 42 42 GLU C C 41 176.306 176.461 -0.155 1 1 553 . 11 1 1 A 42 42 GLU CA C 41 56.358 55.155 1.203 1 1 554 . 11 1 1 A 42 42 GLU CB C 41 31.014 30.618 0.396 1 1 556 . 11 1 1 A 42 42 GLU N N 41 122.648 120.646 2.002 1 1 557 . 11 1 1 A 43 43 LYS H H 42 8.912 8.457 0.455 1 1 558 . 11 1 1 A 43 43 LYS HA H 42 4.680 4.604 0.076 1 1 567 . 11 1 1 A 43 43 LYS C C 42 177.063 178.497 -1.434 1 1 568 . 11 1 1 A 43 43 LYS CA C 42 55.652 57.037 -1.385 1 1 569 . 11 1 1 A 43 43 LYS CB C 42 34.871 33.998 0.873 1 1 573 . 11 1 1 A 43 43 LYS N N 42 123.569 123.358 0.211 1 1 574 . 11 1 1 A 44 44 GLN H H 43 8.446 8.148 0.298 1 1 575 . 11 1 1 A 44 44 GLN HA H 43 4.545 4.035 0.510 1 1 582 . 11 1 1 A 44 44 GLN C C 43 177.152 177.109 0.043 1 1 583 . 11 1 1 A 44 44 GLN CA C 43 57.561 59.133 -1.572 1 1 584 . 11 1 1 A 44 44 GLN CB C 43 30.671 28.679 1.992 1 1 587 . 11 1 1 A 44 44 GLN N N 43 118.990 118.829 0.161 1 1 589 . 11 1 1 A 45 45 LEU H H 44 9.043 8.134 0.909 1 1 590 . 11 1 1 A 45 45 LEU HA H 44 4.716 4.455 0.261 1 1 600 . 11 1 1 A 45 45 LEU CA C 44 53.078 53.977 -0.899 1 1 601 . 11 1 1 A 45 45 LEU CB C 44 43.614 41.184 2.430 1 1 605 . 11 1 1 A 45 45 LEU N N 44 120.375 120.177 0.198 1 1 606 . 11 1 1 A 46 46 PRO HA H 45 4.723 4.631 0.092 1 1 613 . 11 1 1 A 46 46 PRO C C 45 175.883 176.148 -0.265 1 1 614 . 11 1 1 A 46 46 PRO CA C 45 62.005 62.307 -0.302 1 1 615 . 11 1 1 A 46 46 PRO CB C 45 32.609 32.265 0.344 1 1 618 . 11 1 1 A 47 47 VAL H H 46 8.437 8.557 -0.120 1 1 619 . 11 1 1 A 47 47 VAL HA H 46 3.914 4.570 -0.656 1 1 627 . 11 1 1 A 47 47 VAL C C 46 175.367 175.758 -0.391 1 1 628 . 11 1 1 A 47 47 VAL CA C 46 62.700 61.822 0.878 1 1 629 . 11 1 1 A 47 47 VAL CB C 46 32.927 31.865 1.062 1 1 632 . 11 1 1 A 47 47 VAL N N 46 118.440 121.416 -2.976 1 1 633 . 11 1 1 A 48 48 LEU H H 47 7.863 8.555 -0.692 1 1 634 . 11 1 1 A 48 48 LEU HA H 47 4.384 4.100 0.284 1 1 644 . 11 1 1 A 48 48 LEU C C 47 176.088 178.009 -1.921 1 1 645 . 11 1 1 A 48 48 LEU CA C 47 54.851 56.045 -1.194 1 1 646 . 11 1 1 A 48 48 LEU CB C 47 43.841 43.613 0.228 1 1 650 . 11 1 1 A 48 48 LEU N N 47 129.127 129.180 -0.053 1 1 651 . 11 1 1 A 49 49 ASP H H 48 8.699 8.959 -0.260 1 1 652 . 11 1 1 A 49 49 ASP HA H 48 4.293 4.317 -0.024 1 1 655 . 11 1 1 A 49 49 ASP C C 48 175.121 175.712 -0.591 1 1 656 . 11 1 1 A 49 49 ASP CA C 48 55.717 57.517 -1.800 1 1 657 . 11 1 1 A 49 49 ASP CB C 48 40.260 41.080 -0.820 1 1 658 . 11 1 1 A 49 49 ASP N N 48 121.389 126.596 -5.207 1 1 659 . 11 1 1 A 50 50 LYS H H 49 7.251 7.498 -0.247 1 1 660 . 11 1 1 A 50 50 LYS HA H 49 4.540 4.532 0.008 1 1 669 . 11 1 1 A 50 50 LYS C C 49 174.664 175.501 -0.837 1 1 670 . 11 1 1 A 50 50 LYS CA C 49 53.211 55.111 -1.900 1 1 671 . 11 1 1 A 50 50 LYS CB C 49 35.514 33.404 2.110 1 1 675 . 11 1 1 A 50 50 LYS N N 49 118.260 112.977 5.283 1 1 676 . 11 1 1 A 51 51 THR H H 50 8.162 8.065 0.097 1 1 677 . 11 1 1 A 51 51 THR HA H 50 4.685 4.602 0.083 1 1 682 . 11 1 1 A 51 51 THR C C 50 171.631 174.428 -2.797 1 1 683 . 11 1 1 A 51 51 THR CA C 50 63.581 62.823 0.758 1 1 684 . 11 1 1 A 51 51 THR CB C 50 71.587 69.925 1.662 1 1 686 . 11 1 1 A 51 51 THR N N 50 112.535 112.446 0.089 1 1 687 . 11 1 1 A 52 52 LYS H H 51 6.971 7.412 -0.441 1 1 688 . 11 1 1 A 52 52 LYS HA H 51 4.443 4.774 -0.331 1 1 697 . 11 1 1 A 52 52 LYS C C 51 175.417 175.620 -0.203 1 1 698 . 11 1 1 A 52 52 LYS CA C 51 55.209 55.125 0.084 1 1 699 . 11 1 1 A 52 52 LYS CB C 51 33.309 33.919 -0.610 1 1 703 . 11 1 1 A 52 52 LYS N N 51 120.227 118.991 1.236 1 1 704 . 11 1 1 A 53 53 PHE H H 52 9.688 9.056 0.632 1 1 705 . 11 1 1 A 53 53 PHE HA H 52 5.675 5.008 0.667 1 1 712 . 11 1 1 A 53 53 PHE C C 52 174.348 174.589 -0.241 1 1 713 . 11 1 1 A 53 53 PHE CA C 52 56.625 56.666 -0.041 1 1 714 . 11 1 1 A 53 53 PHE CB C 52 43.109 43.096 0.013 1 1 716 . 11 1 1 A 53 53 PHE N N 52 124.646 121.457 3.189 1 1 717 . 11 1 1 A 54 54 LEU H H 53 8.470 9.063 -0.593 1 1 718 . 11 1 1 A 54 54 LEU HA H 53 5.044 4.870 0.174 1 1 728 . 11 1 1 A 54 54 LEU C C 53 176.144 176.010 0.134 1 1 729 . 11 1 1 A 54 54 LEU CA C 53 52.954 53.337 -0.383 1 1 730 . 11 1 1 A 54 54 LEU CB C 53 45.081 42.306 2.775 1 1 734 . 11 1 1 A 54 54 LEU N N 53 119.430 124.120 -4.690 1 1 735 . 11 1 1 A 55 55 VAL H H 54 8.802 8.734 0.068 1 1 736 . 11 1 1 A 55 55 VAL HA H 54 4.640 4.501 0.139 1 1 744 . 11 1 1 A 55 55 VAL CA C 54 58.549 59.889 -1.340 1 1 745 . 11 1 1 A 55 55 VAL CB C 54 35.342 31.714 3.628 1 1 748 . 11 1 1 A 55 55 VAL N N 54 123.841 125.970 -2.129 1 1 749 . 11 1 1 A 56 56 PRO HA H 55 4.439 4.665 -0.226 1 1 756 . 11 1 1 A 56 56 PRO C C 55 176.666 176.410 0.256 1 1 757 . 11 1 1 A 56 56 PRO CA C 55 64.256 62.393 1.863 1 1 758 . 11 1 1 A 56 56 PRO CB C 55 32.783 31.556 1.227 1 1 761 . 11 1 1 A 57 57 ASP H H 56 8.412 8.493 -0.081 1 1 762 . 11 1 1 A 57 57 ASP HA H 56 3.848 4.425 -0.577 1 1 765 . 11 1 1 A 57 57 ASP C C 56 175.417 176.605 -1.188 1 1 766 . 11 1 1 A 57 57 ASP CA C 56 56.616 54.142 2.474 1 1 767 . 11 1 1 A 57 57 ASP CB C 56 40.410 39.675 0.735 1 1 768 . 11 1 1 A 57 57 ASP N N 56 120.415 123.348 -2.933 1 1 769 . 11 1 1 A 58 58 HIS H H 57 7.373 7.500 -0.127 1 1 770 . 11 1 1 A 58 58 HIS HA H 57 4.770 4.673 0.097 1 1 775 . 11 1 1 A 58 58 HIS C C 57 176.594 174.356 2.238 1 1 776 . 11 1 1 A 58 58 HIS CA C 57 55.584 56.082 -0.498 1 1 777 . 11 1 1 A 58 58 HIS CB C 57 30.628 30.683 -0.055 1 1 780 . 11 1 1 A 58 58 HIS N N 57 113.439 114.368 -0.929 1 1 781 . 11 1 1 A 59 59 VAL H H 58 7.249 6.770 0.479 1 1 782 . 11 1 1 A 59 59 VAL HA H 58 3.903 4.717 -0.814 1 1 790 . 11 1 1 A 59 59 VAL C C 58 175.014 174.521 0.493 1 1 791 . 11 1 1 A 59 59 VAL CA C 58 62.726 59.638 3.088 1 1 792 . 11 1 1 A 59 59 VAL CB C 58 32.190 34.997 -2.807 1 1 795 . 11 1 1 A 59 59 VAL N N 58 122.597 115.684 6.913 1 1 796 . 11 1 1 A 60 60 ASN H H 59 8.677 8.548 0.129 1 1 797 . 11 1 1 A 60 60 ASN HA H 59 5.187 5.108 0.079 1 1 802 . 11 1 1 A 60 60 ASN C C 59 176.477 176.390 0.087 1 1 803 . 11 1 1 A 60 60 ASN CA C 59 51.181 51.679 -0.498 1 1 804 . 11 1 1 A 60 60 ASN CB C 59 39.947 41.294 -1.347 1 1 806 . 11 1 1 A 60 60 ASN N N 59 122.962 119.224 3.738 1 1 808 . 11 1 1 A 61 61 MET H H 60 8.038 8.405 -0.367 1 1 809 . 11 1 1 A 61 61 MET HA H 60 4.426 4.224 0.202 1 1 817 . 11 1 1 A 61 61 MET C C 60 177.996 178.539 -0.543 1 1 818 . 11 1 1 A 61 61 MET CA C 60 57.118 58.084 -0.966 1 1 819 . 11 1 1 A 61 61 MET CB C 60 29.998 32.231 -2.233 1 1 822 . 11 1 1 A 61 61 MET N N 60 116.814 121.287 -4.473 1 1 823 . 11 1 1 A 62 62 SER H H 61 8.401 8.149 0.252 1 1 824 . 11 1 1 A 62 62 SER HA H 61 4.132 4.134 -0.002 1 1 827 . 11 1 1 A 62 62 SER C C 61 177.255 177.160 0.095 1 1 828 . 11 1 1 A 62 62 SER CA C 61 61.559 61.437 0.122 1 1 829 . 11 1 1 A 62 62 SER CB C 61 62.430 63.115 -0.685 1 1 830 . 11 1 1 A 62 62 SER N N 61 114.109 115.191 -1.082 1 1 831 . 11 1 1 A 63 63 GLU H H 62 8.014 8.114 -0.100 1 1 832 . 11 1 1 A 63 63 GLU HA H 62 4.016 3.973 0.043 1 1 837 . 11 1 1 A 63 63 GLU C C 62 178.327 179.084 -0.757 1 1 838 . 11 1 1 A 63 63 GLU CA C 62 58.787 59.442 -0.655 1 1 839 . 11 1 1 A 63 63 GLU CB C 62 29.814 29.286 0.528 1 1 841 . 11 1 1 A 63 63 GLU N N 62 122.806 121.054 1.752 1 1 842 . 11 1 1 A 64 64 LEU H H 63 8.254 7.759 0.495 1 1 843 . 11 1 1 A 64 64 LEU HA H 63 3.932 4.030 -0.098 1 1 853 . 11 1 1 A 64 64 LEU C C 63 178.029 178.504 -0.475 1 1 854 . 11 1 1 A 64 64 LEU CA C 63 57.986 58.021 -0.035 1 1 855 . 11 1 1 A 64 64 LEU CB C 63 41.377 41.673 -0.296 1 1 859 . 11 1 1 A 64 64 LEU N N 63 120.526 121.904 -1.378 1 1 860 . 11 1 1 A 65 65 ILE H H 64 8.415 8.564 -0.149 1 1 861 . 11 1 1 A 65 65 ILE HA H 64 3.377 3.696 -0.319 1 1 871 . 11 1 1 A 65 65 ILE C C 64 177.078 177.676 -0.598 1 1 872 . 11 1 1 A 65 65 ILE CA C 64 66.699 65.483 1.216 1 1 873 . 11 1 1 A 65 65 ILE CB C 64 38.128 37.844 0.284 1 1 877 . 11 1 1 A 65 65 ILE N N 64 118.349 119.616 -1.267 1 1 878 . 11 1 1 A 66 66 LYS H H 65 7.366 7.851 -0.485 1 1 879 . 11 1 1 A 66 66 LYS HA H 65 3.696 4.031 -0.335 1 1 888 . 11 1 1 A 66 66 LYS C C 65 179.260 179.130 0.130 1 1 889 . 11 1 1 A 66 66 LYS CA C 65 60.593 59.309 1.284 1 1 890 . 11 1 1 A 66 66 LYS CB C 65 32.421 32.653 -0.232 1 1 894 . 11 1 1 A 66 66 LYS N N 65 118.334 119.161 -0.827 1 1 895 . 11 1 1 A 67 67 ILE H H 66 8.179 7.829 0.350 1 1 896 . 11 1 1 A 67 67 ILE HA H 66 3.546 3.651 -0.105 1 1 906 . 11 1 1 A 67 67 ILE C C 66 178.784 177.708 1.076 1 1 907 . 11 1 1 A 67 67 ILE CA C 66 65.488 65.208 0.280 1 1 908 . 11 1 1 A 67 67 ILE CB C 66 38.593 38.010 0.583 1 1 912 . 11 1 1 A 67 67 ILE N N 66 119.791 120.260 -0.469 1 1 913 . 11 1 1 A 68 68 ILE H H 67 8.279 8.434 -0.155 1 1 914 . 11 1 1 A 68 68 ILE HA H 67 3.391 3.370 0.021 1 1 924 . 11 1 1 A 68 68 ILE C C 67 177.403 177.533 -0.130 1 1 925 . 11 1 1 A 68 68 ILE CA C 67 63.144 65.455 -2.311 1 1 926 . 11 1 1 A 68 68 ILE CB C 67 35.269 37.441 -2.172 1 1 930 . 11 1 1 A 68 68 ILE N N 67 120.267 120.526 -0.259 1 1 931 . 11 1 1 A 69 69 ARG H H 68 8.454 8.335 0.119 1 1 932 . 11 1 1 A 69 69 ARG HA H 68 2.966 3.333 -0.367 1 1 939 . 11 1 1 A 69 69 ARG C C 68 178.385 178.948 -0.563 1 1 940 . 11 1 1 A 69 69 ARG CA C 68 60.642 59.693 0.949 1 1 941 . 11 1 1 A 69 69 ARG CB C 68 30.442 29.865 0.577 1 1 944 . 11 1 1 A 69 69 ARG N N 68 118.881 118.795 0.086 1 1 945 . 11 1 1 A 70 70 ARG H H 69 7.492 8.174 -0.682 1 1 946 . 11 1 1 A 70 70 ARG HA H 69 4.164 3.927 0.237 1 1 954 . 11 1 1 A 70 70 ARG C C 69 180.253 178.965 1.288 1 1 955 . 11 1 1 A 70 70 ARG CA C 69 58.510 59.592 -1.082 1 1 956 . 11 1 1 A 70 70 ARG CB C 69 29.587 30.030 -0.443 1 1 960 . 11 1 1 A 70 70 ARG N N 69 116.411 119.412 -3.001 1 1 962 . 11 1 1 A 71 71 ARG H H 70 8.086 8.047 0.039 1 1 963 . 11 1 1 A 71 71 ARG HA H 70 4.025 4.006 0.019 1 1 970 . 11 1 1 A 71 71 ARG C C 70 178.558 178.372 0.186 1 1 971 . 11 1 1 A 71 71 ARG CA C 70 59.428 59.031 0.397 1 1 972 . 11 1 1 A 71 71 ARG CB C 70 30.235 30.372 -0.137 1 1 975 . 11 1 1 A 71 71 ARG N N 70 122.779 119.303 3.476 1 1 976 . 11 1 1 A 72 72 LEU H H 71 7.755 7.773 -0.018 1 1 977 . 11 1 1 A 72 72 LEU HA H 71 4.081 3.960 0.121 1 1 987 . 11 1 1 A 72 72 LEU C C 71 174.852 176.791 -1.939 1 1 988 . 11 1 1 A 72 72 LEU CA C 71 55.060 56.350 -1.290 1 1 989 . 11 1 1 A 72 72 LEU CB C 71 43.109 41.686 1.423 1 1 993 . 11 1 1 A 72 72 LEU N N 71 116.551 119.044 -2.493 1 1 994 . 11 1 1 A 73 73 GLN H H 72 7.740 7.981 -0.241 1 1 995 . 11 1 1 A 73 73 GLN HA H 72 3.853 3.935 -0.082 1 1 1002 . 11 1 1 A 73 73 GLN C C 72 175.619 174.803 0.816 1 1 1003 . 11 1 1 A 73 73 GLN CA C 72 56.273 56.522 -0.249 1 1 1004 . 11 1 1 A 73 73 GLN CB C 72 25.939 26.339 -0.400 1 1 1007 . 11 1 1 A 73 73 GLN N N 72 114.737 117.578 -2.841 1 1 1009 . 11 1 1 A 74 74 LEU H H 73 7.525 7.812 -0.287 1 1 1010 . 11 1 1 A 74 74 LEU HA H 73 4.242 4.563 -0.321 1 1 1020 . 11 1 1 A 74 74 LEU C C 73 178.611 176.234 2.377 1 1 1021 . 11 1 1 A 74 74 LEU CA C 73 54.382 53.948 0.434 1 1 1022 . 11 1 1 A 74 74 LEU CB C 73 41.995 42.663 -0.668 1 1 1026 . 11 1 1 A 74 74 LEU N N 73 114.861 120.204 -5.343 1 1 1027 . 11 1 1 A 75 75 ASN H H 74 8.970 8.722 0.248 1 1 1028 . 11 1 1 A 75 75 ASN HA H 74 4.694 5.056 -0.362 1 1 1033 . 11 1 1 A 75 75 ASN C C 74 176.527 176.308 0.219 1 1 1034 . 11 1 1 A 75 75 ASN CA C 74 52.686 51.735 0.951 1 1 1035 . 11 1 1 A 75 75 ASN CB C 74 39.583 41.184 -1.601 1 1 1037 . 11 1 1 A 75 75 ASN N N 74 121.274 117.583 3.691 1 1 1039 . 11 1 1 A 76 76 ALA H H 75 8.697 8.565 0.132 1 1 1040 . 11 1 1 A 76 76 ALA HA H 75 3.966 4.176 -0.210 1 1 1044 . 11 1 1 A 76 76 ALA C C 75 178.002 178.436 -0.434 1 1 1045 . 11 1 1 A 76 76 ALA CA C 75 54.797 53.545 1.252 1 1 1046 . 11 1 1 A 76 76 ALA CB C 75 18.669 18.781 -0.112 1 1 1047 . 11 1 1 A 76 76 ALA N N 75 123.590 122.229 1.361 1 1 1048 . 11 1 1 A 77 77 ASN H H 76 8.344 8.020 0.324 1 1 1049 . 11 1 1 A 77 77 ASN HA H 76 4.585 4.703 -0.118 1 1 1054 . 11 1 1 A 77 77 ASN C C 76 175.371 175.441 -0.070 1 1 1055 . 11 1 1 A 77 77 ASN CA C 76 53.183 54.702 -1.519 1 1 1056 . 11 1 1 A 77 77 ASN CB C 76 38.277 39.567 -1.290 1 1 1058 . 11 1 1 A 77 77 ASN N N 76 112.004 116.013 -4.009 1 1 1060 . 11 1 1 A 78 78 GLN H H 77 7.532 7.649 -0.117 1 1 1061 . 11 1 1 A 78 78 GLN HA H 77 4.281 4.393 -0.112 1 1 1068 . 11 1 1 A 78 78 GLN C C 77 175.001 175.092 -0.091 1 1 1069 . 11 1 1 A 78 78 GLN CA C 77 55.875 56.172 -0.297 1 1 1070 . 11 1 1 A 78 78 GLN CB C 77 30.227 29.348 0.879 1 1 1073 . 11 1 1 A 78 78 GLN N N 77 120.237 119.301 0.936 1 1 1075 . 11 1 1 A 79 79 ALA H H 78 8.732 8.731 0.001 1 1 1076 . 11 1 1 A 79 79 ALA HA H 78 4.183 5.327 -1.144 1 1 1080 . 11 1 1 A 79 79 ALA C C 78 176.367 175.912 0.455 1 1 1081 . 11 1 1 A 79 79 ALA CA C 78 52.798 50.232 2.566 1 1 1082 . 11 1 1 A 79 79 ALA CB C 78 20.051 22.124 -2.073 1 1 1083 . 11 1 1 A 79 79 ALA N N 78 130.399 127.904 2.495 1 1 1084 . 11 1 1 A 80 80 PHE H H 79 7.603 8.462 -0.859 1 1 1085 . 11 1 1 A 80 80 PHE HA H 79 4.449 5.069 -0.620 1 1 1093 . 11 1 1 A 80 80 PHE C C 79 171.709 172.985 -1.276 1 1 1094 . 11 1 1 A 80 80 PHE CA C 79 59.101 57.211 1.890 1 1 1095 . 11 1 1 A 80 80 PHE CB C 79 42.282 42.646 -0.364 1 1 1099 . 11 1 1 A 80 80 PHE N N 79 118.988 122.112 -3.124 1 1 1100 . 11 1 1 A 81 81 PHE H H 80 8.507 9.073 -0.566 1 1 1101 . 11 1 1 A 81 81 PHE HA H 80 4.421 4.501 -0.080 1 1 1109 . 11 1 1 A 81 81 PHE C C 80 172.644 173.858 -1.214 1 1 1110 . 11 1 1 A 81 81 PHE CA C 80 56.711 55.837 0.874 1 1 1111 . 11 1 1 A 81 81 PHE CB C 80 41.880 41.690 0.190 1 1 1115 . 11 1 1 A 81 81 PHE N N 80 126.042 125.072 0.970 1 1 1116 . 11 1 1 A 82 82 LEU H H 81 8.199 8.459 -0.260 1 1 1117 . 11 1 1 A 82 82 LEU HA H 81 4.883 4.851 0.032 1 1 1127 . 11 1 1 A 82 82 LEU C C 81 174.440 174.641 -0.201 1 1 1128 . 11 1 1 A 82 82 LEU CA C 81 53.153 54.167 -1.014 1 1 1129 . 11 1 1 A 82 82 LEU CB C 81 45.520 43.581 1.939 1 1 1133 . 11 1 1 A 82 82 LEU N N 81 121.512 126.292 -4.780 1 1 1134 . 11 1 1 A 83 83 LEU H H 82 9.349 9.738 -0.389 1 1 1135 . 11 1 1 A 83 83 LEU HA H 82 4.810 5.115 -0.305 1 1 1145 . 11 1 1 A 83 83 LEU C C 82 177.075 175.538 1.537 1 1 1146 . 11 1 1 A 83 83 LEU CA C 82 54.122 53.419 0.703 1 1 1147 . 11 1 1 A 83 83 LEU CB C 82 43.394 42.377 1.017 1 1 1151 . 11 1 1 A 83 83 LEU N N 82 125.253 128.538 -3.285 1 1 1152 . 11 1 1 A 84 84 VAL H H 83 8.681 9.076 -0.395 1 1 1153 . 11 1 1 A 84 84 VAL HA H 83 4.411 4.221 0.190 1 1 1161 . 11 1 1 A 84 84 VAL C C 83 175.797 176.147 -0.350 1 1 1162 . 11 1 1 A 84 84 VAL CA C 83 61.630 61.453 0.177 1 1 1163 . 11 1 1 A 84 84 VAL CB C 83 33.647 31.158 2.489 1 1 1166 . 11 1 1 A 84 84 VAL N N 83 123.543 125.038 -1.495 1 1 1167 . 11 1 1 A 85 85 ASN H H 84 9.622 9.045 0.577 1 1 1168 . 11 1 1 A 85 85 ASN HA H 84 4.399 4.603 -0.204 1 1 1173 . 11 1 1 A 85 85 ASN C C 84 175.042 175.006 0.036 1 1 1174 . 11 1 1 A 85 85 ASN CA C 84 54.610 54.244 0.366 1 1 1175 . 11 1 1 A 85 85 ASN CB C 84 37.927 36.923 1.004 1 1 1177 . 11 1 1 A 85 85 ASN N N 84 125.848 127.233 -1.385 1 1 1179 . 11 1 1 A 86 86 GLY H H 85 8.551 8.287 0.264 1 1 1180 . 11 1 1 A 86 86 GLY HA2 H 85 3.368 3.928 -0.560 1 1 1181 . 11 1 1 A 86 86 GLY HA3 H 85 4.064 3.928 0.136 1 1 1182 . 11 1 1 A 86 86 GLY C C 85 173.524 173.681 -0.157 1 1 1183 . 11 1 1 A 86 86 GLY CA C 85 45.588 45.248 0.340 1 1 1184 . 11 1 1 A 86 86 GLY N N 85 101.093 104.326 -3.233 1 1 1185 . 11 1 1 A 87 87 HIS H H 86 7.906 7.271 0.635 1 1 1186 . 11 1 1 A 87 87 HIS HA H 86 5.003 5.229 -0.226 1 1 1191 . 11 1 1 A 87 87 HIS C C 86 173.910 174.323 -0.413 1 1 1192 . 11 1 1 A 87 87 HIS CA C 86 54.213 53.669 0.544 1 1 1193 . 11 1 1 A 87 87 HIS CB C 86 31.482 32.689 -1.207 1 1 1196 . 11 1 1 A 87 87 HIS N N 86 117.253 115.930 1.323 1 1 1197 . 11 1 1 A 88 88 SER H H 87 8.846 9.045 -0.199 1 1 1198 . 11 1 1 A 88 88 SER HA H 87 4.702 4.502 0.200 1 1 1201 . 11 1 1 A 88 88 SER C C 87 175.739 175.283 0.456 1 1 1202 . 11 1 1 A 88 88 SER CA C 87 58.245 58.130 0.115 1 1 1203 . 11 1 1 A 88 88 SER CB C 87 63.764 64.953 -1.189 1 1 1204 . 11 1 1 A 88 88 SER N N 87 117.469 115.597 1.872 1 1 1205 . 11 1 1 A 89 89 MET H H 88 9.174 8.451 0.723 1 1 1206 . 11 1 1 A 89 89 MET HA H 88 4.820 4.928 -0.108 1 1 1214 . 11 1 1 A 89 89 MET C C 88 176.294 177.109 -0.815 1 1 1215 . 11 1 1 A 89 89 MET CA C 88 54.853 54.157 0.696 1 1 1216 . 11 1 1 A 89 89 MET CB C 88 33.183 32.133 1.050 1 1 1219 . 11 1 1 A 89 89 MET N N 88 125.111 118.727 6.384 1 1 1220 . 11 1 1 A 90 90 VAL H H 89 8.217 7.785 0.432 1 1 1221 . 11 1 1 A 90 90 VAL HA H 89 4.063 3.769 0.294 1 1 1229 . 11 1 1 A 90 90 VAL C C 89 176.249 175.876 0.373 1 1 1230 . 11 1 1 A 90 90 VAL CA C 89 63.377 64.865 -1.488 1 1 1231 . 11 1 1 A 90 90 VAL CB C 89 32.473 31.714 0.759 1 1 1234 . 11 1 1 A 90 90 VAL N N 89 120.477 120.301 0.176 1 1 1235 . 11 1 1 A 91 91 SER H H 90 8.356 7.824 0.532 1 1 1236 . 11 1 1 A 91 91 SER HA H 90 4.614 4.875 -0.261 1 1 1239 . 11 1 1 A 91 91 SER C C 90 175.841 172.539 3.302 1 1 1240 . 11 1 1 A 91 91 SER CA C 90 57.860 56.699 1.161 1 1 1241 . 11 1 1 A 91 91 SER CB C 90 63.398 64.050 -0.652 1 1 1242 . 11 1 1 A 91 91 SER N N 90 116.676 116.263 0.413 1 1 1243 . 11 1 1 A 92 92 VAL H H 91 8.158 8.953 -0.795 1 1 1244 . 11 1 1 A 92 92 VAL HA H 91 4.245 4.718 -0.473 1 1 1252 . 11 1 1 A 92 92 VAL C C 91 175.856 176.092 -0.236 1 1 1253 . 11 1 1 A 92 92 VAL CA C 91 63.121 61.376 1.745 1 1 1254 . 11 1 1 A 92 92 VAL CB C 91 31.872 32.777 -0.905 1 1 1257 . 11 1 1 A 92 92 VAL N N 91 119.994 129.606 -9.612 1 1 1258 . 11 1 1 A 93 93 SER H H 92 8.368 8.532 -0.164 1 1 1259 . 11 1 1 A 93 93 SER HA H 92 4.581 4.814 -0.233 1 1 1262 . 11 1 1 A 93 93 SER C C 92 174.154 173.727 0.427 1 1 1263 . 11 1 1 A 93 93 SER CA C 92 57.706 57.101 0.605 1 1 1264 . 11 1 1 A 93 93 SER CB C 92 63.126 64.598 -1.472 1 1 1265 . 11 1 1 A 93 93 SER N N 92 116.504 121.836 -5.332 1 1 1266 . 11 1 1 A 94 94 THR H H 93 7.427 7.634 -0.207 1 1 1267 . 11 1 1 A 94 94 THR HA H 93 4.464 4.647 -0.183 1 1 1272 . 11 1 1 A 94 94 THR CA C 93 61.032 59.139 1.893 1 1 1273 . 11 1 1 A 94 94 THR CB C 93 70.505 71.458 -0.953 1 1 1275 . 11 1 1 A 94 94 THR N N 93 119.172 116.767 2.405 1 1 1276 . 11 1 1 A 95 95 PRO HA H 94 4.426 4.714 -0.288 1 1 1283 . 11 1 1 A 95 95 PRO C C 94 178.692 178.060 0.632 1 1 1284 . 11 1 1 A 95 95 PRO CA C 94 62.921 62.735 0.186 1 1 1285 . 11 1 1 A 95 95 PRO CB C 94 32.774 32.362 0.412 1 1 1288 . 11 1 1 A 96 96 ILE H H 95 9.324 8.979 0.345 1 1 1289 . 11 1 1 A 96 96 ILE HA H 95 3.956 3.987 -0.031 1 1 1299 . 11 1 1 A 96 96 ILE C C 95 176.415 177.077 -0.662 1 1 1300 . 11 1 1 A 96 96 ILE CA C 95 63.880 63.589 0.291 1 1 1301 . 11 1 1 A 96 96 ILE CB C 95 38.055 37.925 0.130 1 1 1305 . 11 1 1 A 96 96 ILE N N 95 123.862 125.744 -1.882 1 1 1306 . 11 1 1 A 97 97 SER H H 96 8.211 8.384 -0.173 1 1 1307 . 11 1 1 A 97 97 SER HA H 96 3.978 4.108 -0.130 1 1 1310 . 11 1 1 A 97 97 SER C C 96 176.494 177.388 -0.894 1 1 1311 . 11 1 1 A 97 97 SER CA C 96 61.576 61.399 0.177 1 1 1312 . 11 1 1 A 97 97 SER CB C 96 61.262 62.357 -1.095 1 1 1313 . 11 1 1 A 97 97 SER N N 96 116.529 117.293 -0.764 1 1 1314 . 11 1 1 A 98 98 GLU H H 97 7.329 7.993 -0.664 1 1 1315 . 11 1 1 A 98 98 GLU HA H 97 4.290 4.220 0.070 1 1 1320 . 11 1 1 A 98 98 GLU C C 97 179.288 179.074 0.214 1 1 1321 . 11 1 1 A 98 98 GLU CA C 97 58.705 59.369 -0.664 1 1 1322 . 11 1 1 A 98 98 GLU CB C 97 29.791 30.218 -0.427 1 1 1324 . 11 1 1 A 98 98 GLU N N 97 122.955 122.590 0.365 1 1 1325 . 11 1 1 A 99 99 VAL H H 98 7.386 8.270 -0.884 1 1 1326 . 11 1 1 A 99 99 VAL HA H 98 3.815 3.773 0.042 1 1 1334 . 11 1 1 A 99 99 VAL C C 98 177.662 178.161 -0.499 1 1 1335 . 11 1 1 A 99 99 VAL CA C 98 65.774 66.024 -0.250 1 1 1336 . 11 1 1 A 99 99 VAL CB C 98 32.047 31.722 0.325 1 1 1339 . 11 1 1 A 99 99 VAL N N 98 120.888 120.596 0.292 1 1 1340 . 11 1 1 A 100 100 TYR H H 99 8.984 7.768 1.216 1 1 1341 . 11 1 1 A 100 100 TYR HA H 99 4.013 4.192 -0.179 1 1 1348 . 11 1 1 A 100 100 TYR C C 99 176.355 178.228 -1.873 1 1 1349 . 11 1 1 A 100 100 TYR CA C 99 62.118 61.630 0.488 1 1 1350 . 11 1 1 A 100 100 TYR CB C 99 38.921 38.746 0.175 1 1 1353 . 11 1 1 A 100 100 TYR N N 99 118.874 120.774 -1.900 1 1 1354 . 11 1 1 A 101 101 GLU H H 100 7.433 8.619 -1.186 1 1 1355 . 11 1 1 A 101 101 GLU HA H 100 3.833 4.010 -0.177 1 1 1360 . 11 1 1 A 101 101 GLU C C 100 177.674 176.822 0.852 1 1 1361 . 11 1 1 A 101 101 GLU CA C 100 58.895 57.945 0.950 1 1 1362 . 11 1 1 A 101 101 GLU CB C 100 29.577 28.531 1.046 1 1 1364 . 11 1 1 A 101 101 GLU N N 100 114.383 117.671 -3.288 1 1 1365 . 11 1 1 A 102 102 SER H H 101 7.423 8.188 -0.765 1 1 1366 . 11 1 1 A 102 102 SER HA H 101 4.552 4.651 -0.099 1 1 1369 . 11 1 1 A 102 102 SER C C 101 176.554 174.618 1.936 1 1 1370 . 11 1 1 A 102 102 SER CA C 101 60.200 58.638 1.562 1 1 1371 . 11 1 1 A 102 102 SER CB C 101 64.828 64.144 0.684 1 1 1372 . 11 1 1 A 102 102 SER N N 101 108.722 115.213 -6.491 1 1 1373 . 11 1 1 A 103 103 GLU H H 102 8.488 7.937 0.551 1 1 1374 . 11 1 1 A 103 103 GLU HA H 102 4.752 4.469 0.283 1 1 1379 . 11 1 1 A 103 103 GLU C C 102 176.653 176.394 0.259 1 1 1380 . 11 1 1 A 103 103 GLU CA C 102 55.464 57.438 -1.974 1 1 1381 . 11 1 1 A 103 103 GLU CB C 102 30.611 31.741 -1.130 1 1 1383 . 11 1 1 A 103 103 GLU N N 102 116.116 118.443 -2.327 1 1 1384 . 11 1 1 A 104 104 ARG H H 103 7.511 7.694 -0.183 1 1 1385 . 11 1 1 A 104 104 ARG HA H 103 4.241 4.272 -0.031 1 1 1392 . 11 1 1 A 104 104 ARG C C 103 174.634 174.998 -0.364 1 1 1393 . 11 1 1 A 104 104 ARG CA C 103 56.926 56.213 0.713 1 1 1394 . 11 1 1 A 104 104 ARG CB C 103 29.713 30.043 -0.330 1 1 1397 . 11 1 1 A 104 104 ARG N N 103 117.180 118.712 -1.532 1 1 1398 . 11 1 1 A 105 105 ASP H H 104 9.069 8.187 0.882 1 1 1399 . 11 1 1 A 105 105 ASP HA H 104 4.774 4.978 -0.204 1 1 1402 . 11 1 1 A 105 105 ASP C C 104 177.460 176.496 0.964 1 1 1403 . 11 1 1 A 105 105 ASP CA C 104 53.852 52.012 1.840 1 1 1404 . 11 1 1 A 105 105 ASP CB C 104 43.424 44.193 -0.769 1 1 1405 . 11 1 1 A 105 105 ASP N N 104 123.349 122.484 0.865 1 1 1406 . 11 1 1 A 106 106 GLU H H 105 8.982 8.942 0.040 1 1 1407 . 11 1 1 A 106 106 GLU HA H 105 4.199 3.982 0.217 1 1 1412 . 11 1 1 A 106 106 GLU C C 105 177.398 177.972 -0.574 1 1 1413 . 11 1 1 A 106 106 GLU CA C 105 59.413 59.998 -0.585 1 1 1414 . 11 1 1 A 106 106 GLU CB C 105 29.983 29.410 0.573 1 1 1416 . 11 1 1 A 106 106 GLU N N 105 125.197 123.114 2.083 1 1 1417 . 11 1 1 A 107 107 ASP H H 106 9.873 7.902 1.971 1 1 1418 . 11 1 1 A 107 107 ASP HA H 106 4.211 4.200 0.011 1 1 1421 . 11 1 1 A 107 107 ASP C C 106 175.775 176.749 -0.974 1 1 1422 . 11 1 1 A 107 107 ASP CA C 106 54.698 55.572 -0.874 1 1 1423 . 11 1 1 A 107 107 ASP CB C 106 40.187 41.002 -0.815 1 1 1424 . 11 1 1 A 107 107 ASP N N 106 118.717 117.104 1.613 1 1 1425 . 11 1 1 A 108 108 GLY H H 107 7.971 8.409 -0.438 1 1 1426 . 11 1 1 A 108 108 GLY HA2 H 107 3.431 3.889 -0.458 1 1 1427 . 11 1 1 A 108 108 GLY HA3 H 107 4.526 3.922 0.604 1 1 1428 . 11 1 1 A 108 108 GLY C C 107 175.138 173.928 1.210 1 1 1429 . 11 1 1 A 108 108 GLY CA C 107 45.029 45.584 -0.555 1 1 1430 . 11 1 1 A 108 108 GLY N N 107 105.017 108.625 -3.608 1 1 1431 . 11 1 1 A 109 109 PHE H H 108 9.799 7.619 2.180 1 1 1432 . 11 1 1 A 109 109 PHE HA H 108 4.607 4.910 -0.303 1 1 1440 . 11 1 1 A 109 109 PHE C C 108 175.171 174.689 0.482 1 1 1441 . 11 1 1 A 109 109 PHE CA C 108 60.222 56.715 3.507 1 1 1442 . 11 1 1 A 109 109 PHE CB C 108 40.433 42.541 -2.108 1 1 1446 . 11 1 1 A 109 109 PHE N N 108 123.309 119.142 4.167 1 1 1447 . 11 1 1 A 110 110 LEU H H 109 8.061 8.708 -0.647 1 1 1448 . 11 1 1 A 110 110 LEU HA H 109 5.022 4.361 0.661 1 1 1458 . 11 1 1 A 110 110 LEU C C 109 174.033 175.576 -1.543 1 1 1459 . 11 1 1 A 110 110 LEU CA C 109 53.539 54.731 -1.192 1 1 1460 . 11 1 1 A 110 110 LEU CB C 109 45.284 42.742 2.542 1 1 1464 . 11 1 1 A 110 110 LEU N N 109 119.999 125.999 -6.000 1 1 1465 . 11 1 1 A 111 111 TYR H H 110 9.363 9.154 0.209 1 1 1466 . 11 1 1 A 111 111 TYR HA H 110 4.906 5.290 -0.384 1 1 1473 . 11 1 1 A 111 111 TYR C C 110 176.538 174.698 1.840 1 1 1474 . 11 1 1 A 111 111 TYR CA C 110 59.335 56.635 2.700 1 1 1475 . 11 1 1 A 111 111 TYR CB C 110 39.485 40.463 -0.978 1 1 1478 . 11 1 1 A 111 111 TYR N N 110 126.322 121.374 4.948 1 1 1479 . 11 1 1 A 112 112 MET H H 111 9.496 8.951 0.545 1 1 1480 . 11 1 1 A 112 112 MET HA H 111 5.522 5.376 0.146 1 1 1488 . 11 1 1 A 112 112 MET C C 111 175.676 174.462 1.214 1 1 1489 . 11 1 1 A 112 112 MET CA C 111 54.216 54.338 -0.122 1 1 1490 . 11 1 1 A 112 112 MET CB C 111 36.821 36.916 -0.095 1 1 1493 . 11 1 1 A 112 112 MET N N 111 119.003 124.008 -5.005 1 1 1494 . 11 1 1 A 113 113 VAL H H 112 8.749 8.869 -0.120 1 1 1495 . 11 1 1 A 113 113 VAL HA H 112 5.967 4.929 1.038 1 1 1503 . 11 1 1 A 113 113 VAL C C 112 174.893 175.172 -0.279 1 1 1504 . 11 1 1 A 113 113 VAL CA C 112 58.896 61.222 -2.326 1 1 1505 . 11 1 1 A 113 113 VAL CB C 112 36.149 34.142 2.007 1 1 1508 . 11 1 1 A 113 113 VAL N N 112 119.658 121.933 -2.275 1 1 1509 . 11 1 1 A 114 114 TYR H H 113 8.210 8.532 -0.322 1 1 1510 . 11 1 1 A 114 114 TYR HA H 113 6.141 5.971 0.170 1 1 1517 . 11 1 1 A 114 114 TYR C C 113 173.353 173.977 -0.624 1 1 1518 . 11 1 1 A 114 114 TYR CA C 113 54.161 55.045 -0.884 1 1 1519 . 11 1 1 A 114 114 TYR CB C 113 43.538 42.426 1.112 1 1 1522 . 11 1 1 A 114 114 TYR N N 113 118.947 124.620 -5.673 1 1 1523 . 11 1 1 A 115 115 ALA H H 114 8.483 8.712 -0.229 1 1 1524 . 11 1 1 A 115 115 ALA HA H 114 4.762 4.830 -0.068 1 1 1528 . 11 1 1 A 115 115 ALA C C 114 176.033 176.829 -0.796 1 1 1529 . 11 1 1 A 115 115 ALA CA C 114 51.223 51.343 -0.120 1 1 1530 . 11 1 1 A 115 115 ALA CB C 114 24.521 22.590 1.931 1 1 1531 . 11 1 1 A 115 115 ALA N N 114 119.557 121.819 -2.262 1 1 1532 . 11 1 1 A 116 116 SER H H 115 9.835 8.789 1.046 1 1 1533 . 11 1 1 A 116 116 SER HA H 115 4.497 4.721 -0.224 1 1 1536 . 11 1 1 A 116 116 SER C C 115 172.664 173.764 -1.100 1 1 1537 . 11 1 1 A 116 116 SER CA C 115 58.669 58.027 0.642 1 1 1538 . 11 1 1 A 116 116 SER CB C 115 63.570 63.449 0.121 1 1 1539 . 11 1 1 A 116 116 SER N N 115 114.435 114.598 -0.163 1 1 1540 . 11 1 1 A 117 117 GLN H H 116 7.180 7.532 -0.352 1 1 1541 . 11 1 1 A 117 117 GLN HA H 116 4.460 4.910 -0.450 1 1 1548 . 11 1 1 A 117 117 GLN C C 116 172.901 175.296 -2.395 1 1 1549 . 11 1 1 A 117 117 GLN CA C 116 53.974 54.524 -0.550 1 1 1550 . 11 1 1 A 117 117 GLN CB C 116 32.192 31.873 0.319 1 1 1553 . 11 1 1 A 117 117 GLN N N 116 116.449 117.358 -0.909 1 1 1555 . 11 1 1 A 118 118 GLU H H 117 7.878 8.833 -0.955 1 1 1556 . 11 1 1 A 118 118 GLU HA H 117 3.259 4.485 -1.226 1 1 1561 . 11 1 1 A 118 118 GLU C C 117 175.233 176.797 -1.564 1 1 1562 . 11 1 1 A 118 118 GLU CA C 117 56.890 56.684 0.206 1 1 1563 . 11 1 1 A 118 118 GLU CB C 117 30.325 30.518 -0.193 1 1 1565 . 11 1 1 A 118 118 GLU N N 117 117.687 122.881 -5.194 1 1 1566 . 11 1 1 A 119 119 THR H H 118 6.968 7.517 -0.549 1 1 1567 . 11 1 1 A 119 119 THR HA H 118 4.082 4.476 -0.394 1 1 1572 . 11 1 1 A 119 119 THR C C 118 173.134 174.671 -1.537 1 1 1573 . 11 1 1 A 119 119 THR CA C 118 60.123 59.739 0.384 1 1 1574 . 11 1 1 A 119 119 THR CB C 118 70.147 68.583 1.564 1 1 1576 . 11 1 1 A 119 119 THR N N 118 109.548 108.809 0.739 1 1 1577 . 11 1 1 A 120 120 PHE H H 119 8.138 8.161 -0.023 1 1 1578 . 11 1 1 A 120 120 PHE HA H 119 4.436 4.701 -0.265 1 1 1586 . 11 1 1 A 120 120 PHE C C 119 174.902 177.089 -2.187 1 1 1587 . 11 1 1 A 120 120 PHE CA C 119 56.750 57.897 -1.147 1 1 1588 . 11 1 1 A 120 120 PHE CB C 119 39.411 41.090 -1.679 1 1 1592 . 11 1 1 A 120 120 PHE N N 119 121.777 120.962 0.815 1 1 1607 . 11 2 2 B 2 2 SER H H 332 8.471 8.904 -0.433 1 1 1608 . 11 2 2 B 2 2 SER HA H 332 4.484 5.173 -0.689 1 1 1611 . 11 2 2 B 2 2 SER C C 332 174.962 173.385 1.577 1 1 1612 . 11 2 2 B 2 2 SER CA C 332 88.436 57.296 31.140 1 1 1613 . 11 2 2 B 2 2 SER CB C 332 93.927 64.968 28.959 1 1 1614 . 11 2 2 B 2 2 SER N N 332 147.261 122.489 24.772 1 1 1615 . 11 2 2 B 3 3 GLY H H 333 8.601 9.009 -0.408 1 1 1616 . 11 2 2 B 3 3 GLY HA2 H 333 4.022 4.137 -0.115 1 1 1617 . 11 2 2 B 3 3 GLY HA3 H 333 4.022 4.138 -0.116 1 1 1618 . 11 2 2 B 3 3 GLY C C 333 174.774 173.944 0.830 1 1 1619 . 11 2 2 B 3 3 GLY CA C 333 75.465 45.131 30.334 1 1 1620 . 11 2 2 B 3 3 GLY N N 333 141.077 113.871 27.206 1 1 1621 . 11 2 2 B 4 4 GLY H H 334 8.372 8.449 -0.077 1 1 1622 . 11 2 2 B 4 4 GLY HA2 H 334 3.980 4.204 -0.224 1 1 1623 . 11 2 2 B 4 4 GLY HA3 H 334 3.980 4.206 -0.226 1 1 1624 . 11 2 2 B 4 4 GLY C C 334 174.758 173.184 1.574 1 1 1625 . 11 2 2 B 4 4 GLY CA C 334 75.674 45.339 30.335 1 1 1626 . 11 2 2 B 4 4 GLY N N 334 138.894 111.308 27.586 1 1 1627 . 11 2 2 B 5 5 ASP H H 335 8.429 8.936 -0.507 1 1 1628 . 11 2 2 B 5 5 ASP HA H 335 4.610 5.243 -0.633 1 1 1631 . 11 2 2 B 5 5 ASP CA C 335 85.066 53.643 31.423 1 1 1632 . 11 2 2 B 5 5 ASP CB C 335 71.191 41.156 30.035 1 1 1633 . 11 2 2 B 5 5 ASP N N 335 149.637 121.400 28.237 1 1 1634 . 11 2 2 B 6 6 ASP H H 336 8.244 8.150 0.094 1 1 1635 . 11 2 2 B 6 6 ASP HA H 336 4.559 4.554 0.005 1 1 1638 . 11 2 2 B 6 6 ASP C C 336 175.432 175.929 -0.497 1 1 1639 . 11 2 2 B 6 6 ASP CA C 336 84.708 56.545 28.163 1 1 1640 . 11 2 2 B 6 6 ASP CB C 336 71.552 41.997 29.555 1 1 1641 . 11 2 2 B 6 6 ASP N N 336 148.885 119.425 29.460 1 1 1642 . 11 2 2 B 7 7 ASP H H 337 7.803 7.876 -0.073 1 1 1643 . 11 2 2 B 7 7 ASP HA H 337 4.655 5.032 -0.377 1 1 1646 . 11 2 2 B 7 7 ASP C C 337 175.362 175.064 0.298 1 1 1647 . 11 2 2 B 7 7 ASP CA C 337 83.670 52.670 31.000 1 1 1648 . 11 2 2 B 7 7 ASP CB C 337 71.933 42.727 29.206 1 1 1649 . 11 2 2 B 7 7 ASP N N 337 149.563 117.427 32.136 1 1 1650 . 11 2 2 B 8 8 TRP H H 338 8.472 8.472 0.000 1 1 1651 . 11 2 2 B 8 8 TRP HA H 338 4.174 4.788 -0.614 1 1 1660 . 11 2 2 B 8 8 TRP C C 338 175.959 176.421 -0.462 1 1 1661 . 11 2 2 B 8 8 TRP CA C 338 87.020 57.597 29.423 1 1 1662 . 11 2 2 B 8 8 TRP CB C 338 61.223 30.184 31.039 1 1 1668 . 11 2 2 B 8 8 TRP N N 338 150.172 125.611 24.561 1 1 1670 . 11 2 2 B 9 9 THR H H 339 7.994 8.535 -0.541 1 1 1671 . 11 2 2 B 9 9 THR HA H 339 4.533 4.646 -0.113 1 1 1676 . 11 2 2 B 9 9 THR C C 339 174.035 174.065 -0.030 1 1 1677 . 11 2 2 B 9 9 THR CA C 339 92.659 60.756 31.903 1 1 1678 . 11 2 2 B 9 9 THR CB C 339 99.436 70.678 28.758 1 1 1680 . 11 2 2 B 9 9 THR N N 339 149.503 115.503 34.000 1 1 1681 . 11 2 2 B 10 10 HIS H H 340 9.463 8.151 1.312 1 1 1682 . 11 2 2 B 10 10 HIS HA H 340 4.677 5.641 -0.964 1 1 1687 . 11 2 2 B 10 10 HIS C C 340 175.606 174.357 1.249 1 1 1688 . 11 2 2 B 10 10 HIS CA C 340 87.024 53.789 33.235 1 1 1689 . 11 2 2 B 10 10 HIS CB C 340 61.368 31.928 29.440 1 1 1692 . 11 2 2 B 10 10 HIS N N 340 159.135 119.286 39.849 1 1 1693 . 11 2 2 B 11 11 LEU H H 341 8.398 9.065 -0.667 1 1 1694 . 11 2 2 B 11 11 LEU HA H 341 4.848 5.015 -0.167 1 1 1704 . 11 2 2 B 11 11 LEU C C 341 175.919 176.025 -0.106 1 1 1705 . 11 2 2 B 11 11 LEU CA C 341 83.684 53.721 29.963 1 1 1706 . 11 2 2 B 11 11 LEU CB C 341 73.601 43.041 30.560 1 1 1710 . 11 2 2 B 11 11 LEU N N 341 153.300 125.000 28.300 1 1 1711 . 11 2 2 B 12 12 SER H H 342 8.382 9.301 -0.919 1 1 1712 . 11 2 2 B 12 12 SER HA H 342 4.652 5.168 -0.516 1 1 1715 . 11 2 2 B 12 12 SER C C 342 174.263 174.517 -0.254 1 1 1716 . 11 2 2 B 12 12 SER CA C 342 86.841 57.748 29.093 1 1 1717 . 11 2 2 B 12 12 SER CB C 342 95.113 65.083 30.030 1 1 1718 . 11 2 2 B 12 12 SER N N 342 144.018 123.058 20.960 1 1 1719 . 11 2 2 B 13 13 SER H H 343 8.937 8.894 0.043 1 1 1720 . 11 2 2 B 13 13 SER HA H 343 4.291 4.474 -0.183 1 1 1723 . 11 2 2 B 13 13 SER C C 343 174.652 175.022 -0.370 1 1 1724 . 11 2 2 B 13 13 SER CA C 343 89.546 59.643 29.903 1 1 1725 . 11 2 2 B 13 13 SER CB C 343 93.470 63.372 30.098 1 1 1726 . 11 2 2 B 13 13 SER N N 343 148.575 120.652 27.923 1 1 1727 . 11 2 2 B 14 14 LYS H H 344 8.250 8.165 0.085 1 1 1728 . 11 2 2 B 14 14 LYS HA H 344 4.319 4.387 -0.068 1 1 1737 . 11 2 2 B 14 14 LYS C C 344 176.699 177.497 -0.798 1 1 1738 . 11 2 2 B 14 14 LYS CA C 344 86.716 57.728 28.988 1 1 1739 . 11 2 2 B 14 14 LYS CB C 344 62.831 33.582 29.249 1 1 1743 . 11 2 2 B 14 14 LYS N N 344 151.908 119.365 32.543 1 1 1744 . 11 2 2 B 15 15 GLU H H 345 8.256 7.721 0.535 1 1 1745 . 11 2 2 B 15 15 GLU HA H 345 4.240 4.428 -0.188 1 1 1750 . 11 2 2 B 15 15 GLU C C 345 176.152 176.156 -0.004 1 1 1751 . 11 2 2 B 15 15 GLU CA C 345 87.152 56.375 30.777 1 1 1752 . 11 2 2 B 15 15 GLU CB C 345 60.176 30.407 29.769 1 1 1754 . 11 2 2 B 15 15 GLU N N 345 150.679 117.998 32.681 1 1 1755 . 11 2 2 B 16 16 VAL H H 346 7.762 7.360 0.402 1 1 1756 . 11 2 2 B 16 16 VAL HA H 346 4.161 4.147 0.014 1 1 1764 . 11 2 2 B 16 16 VAL C C 346 174.646 175.603 -0.957 1 1 1765 . 11 2 2 B 16 16 VAL CA C 346 91.707 61.355 30.352 1 1 1766 . 11 2 2 B 16 16 VAL CB C 346 63.107 33.407 29.700 1 1 1769 . 11 2 2 B 16 16 VAL N N 346 146.718 117.336 29.382 1 1 9 . 12 1 1 A 2 2 MET H H 1 8.414 8.879 -0.465 1 1 10 . 12 1 1 A 2 2 MET HA H 1 4.826 4.949 -0.123 1 1 18 . 12 1 1 A 2 2 MET CA C 1 53.382 53.024 0.358 1 1 19 . 12 1 1 A 2 2 MET CB C 1 32.478 35.505 -3.027 1 1 22 . 12 1 1 A 2 2 MET N N 1 122.882 125.770 -2.888 1 1 23 . 12 1 1 A 3 3 PRO HA H 2 4.425 4.375 0.050 1 1 30 . 12 1 1 A 3 3 PRO C C 2 176.847 176.378 0.469 1 1 31 . 12 1 1 A 3 3 PRO CA C 2 63.386 66.076 -2.690 1 1 32 . 12 1 1 A 3 3 PRO CB C 2 32.077 31.443 0.634 1 1 35 . 12 1 1 A 4 4 SER H H 3 8.347 8.098 0.249 1 1 36 . 12 1 1 A 4 4 SER HA H 3 4.391 4.854 -0.463 1 1 39 . 12 1 1 A 4 4 SER C C 3 174.643 173.097 1.546 1 1 40 . 12 1 1 A 4 4 SER CA C 3 58.336 55.900 2.436 1 1 41 . 12 1 1 A 4 4 SER CB C 3 63.798 65.439 -1.641 1 1 42 . 12 1 1 A 4 4 SER N N 3 115.234 111.514 3.720 1 1 43 . 12 1 1 A 5 5 GLU H H 4 8.472 8.352 0.120 1 1 44 . 12 1 1 A 5 5 GLU HA H 4 4.297 4.240 0.057 1 1 49 . 12 1 1 A 5 5 GLU C C 4 176.352 176.640 -0.288 1 1 50 . 12 1 1 A 5 5 GLU CA C 4 56.572 56.986 -0.414 1 1 51 . 12 1 1 A 5 5 GLU CB C 4 30.285 29.850 0.435 1 1 53 . 12 1 1 A 5 5 GLU N N 4 123.045 123.480 -0.435 1 1 54 . 12 1 1 A 6 6 LYS H H 5 8.214 8.469 -0.255 1 1 55 . 12 1 1 A 6 6 LYS HA H 5 4.500 4.339 0.161 1 1 64 . 12 1 1 A 6 6 LYS C C 5 177.243 176.019 1.224 1 1 65 . 12 1 1 A 6 6 LYS CA C 5 55.943 56.536 -0.593 1 1 66 . 12 1 1 A 6 6 LYS CB C 5 34.621 33.233 1.388 1 1 70 . 12 1 1 A 6 6 LYS N N 5 121.467 126.325 -4.858 1 1 71 . 12 1 1 A 7 7 THR H H 6 8.431 8.271 0.160 1 1 72 . 12 1 1 A 7 7 THR HA H 6 4.383 4.684 -0.301 1 1 77 . 12 1 1 A 7 7 THR C C 6 175.360 175.532 -0.172 1 1 78 . 12 1 1 A 7 7 THR CA C 6 61.124 59.767 1.357 1 1 79 . 12 1 1 A 7 7 THR CB C 6 69.863 70.510 -0.647 1 1 81 . 12 1 1 A 7 7 THR N N 6 114.691 115.021 -0.330 1 1 82 . 12 1 1 A 8 8 PHE H H 7 10.194 9.227 0.967 1 1 83 . 12 1 1 A 8 8 PHE HA H 7 3.904 4.233 -0.329 1 1 88 . 12 1 1 A 8 8 PHE C C 7 177.000 177.754 -0.754 1 1 89 . 12 1 1 A 8 8 PHE CA C 7 63.388 60.815 2.573 1 1 90 . 12 1 1 A 8 8 PHE CB C 7 39.586 38.859 0.727 1 1 92 . 12 1 1 A 8 8 PHE N N 7 124.861 127.816 -2.955 1 1 93 . 12 1 1 A 9 9 LYS H H 8 8.707 8.274 0.433 1 1 94 . 12 1 1 A 9 9 LYS HA H 8 3.761 4.099 -0.338 1 1 103 . 12 1 1 A 9 9 LYS C C 8 177.496 178.909 -1.413 1 1 104 . 12 1 1 A 9 9 LYS CA C 8 59.945 59.242 0.703 1 1 105 . 12 1 1 A 9 9 LYS CB C 8 33.870 31.749 2.121 1 1 109 . 12 1 1 A 9 9 LYS N N 8 114.189 117.639 -3.450 1 1 110 . 12 1 1 A 10 10 GLN H H 9 7.284 8.233 -0.949 1 1 111 . 12 1 1 A 10 10 GLN HA H 9 4.113 4.102 0.011 1 1 118 . 12 1 1 A 10 10 GLN C C 9 177.416 178.032 -0.616 1 1 119 . 12 1 1 A 10 10 GLN CA C 9 56.743 58.400 -1.657 1 1 120 . 12 1 1 A 10 10 GLN CB C 9 30.002 28.852 1.150 1 1 123 . 12 1 1 A 10 10 GLN N N 9 112.843 119.092 -6.249 1 1 125 . 12 1 1 A 11 11 ARG H H 10 7.889 8.493 -0.604 1 1 126 . 12 1 1 A 11 11 ARG HA H 10 4.255 3.936 0.319 1 1 133 . 12 1 1 A 11 11 ARG C C 10 175.059 176.755 -1.696 1 1 134 . 12 1 1 A 11 11 ARG CA C 10 57.018 59.608 -2.590 1 1 135 . 12 1 1 A 11 11 ARG CB C 10 31.628 30.321 1.307 1 1 138 . 12 1 1 A 11 11 ARG N N 10 117.567 120.637 -3.070 1 1 139 . 12 1 1 A 12 12 ARG H H 11 7.443 7.911 -0.468 1 1 140 . 12 1 1 A 12 12 ARG HA H 11 4.493 4.272 0.221 1 1 147 . 12 1 1 A 12 12 ARG CA C 11 54.172 57.038 -2.866 1 1 148 . 12 1 1 A 12 12 ARG CB C 11 32.857 30.435 2.422 1 1 151 . 12 1 1 A 12 12 ARG N N 11 122.786 120.453 2.333 1 1 152 . 12 1 1 A 13 13 SER HA H 12 4.403 4.488 -0.085 1 1 155 . 12 1 1 A 13 13 SER C C 12 174.222 175.526 -1.304 1 1 156 . 12 1 1 A 13 13 SER CA C 12 58.274 60.076 -1.802 1 1 157 . 12 1 1 A 13 13 SER CB C 12 64.821 63.457 1.364 1 1 158 . 12 1 1 A 14 14 PHE H H 13 9.239 9.292 -0.053 1 1 159 . 12 1 1 A 14 14 PHE HA H 13 4.035 4.174 -0.139 1 1 165 . 12 1 1 A 14 14 PHE C C 13 176.023 177.019 -0.996 1 1 166 . 12 1 1 A 14 14 PHE CA C 13 62.790 62.530 0.260 1 1 167 . 12 1 1 A 14 14 PHE CB C 13 39.580 40.005 -0.425 1 1 169 . 12 1 1 A 14 14 PHE N N 13 123.729 126.631 -2.902 1 1 170 . 12 1 1 A 15 15 GLU H H 14 9.093 8.592 0.501 1 1 171 . 12 1 1 A 15 15 GLU HA H 14 3.813 3.886 -0.073 1 1 176 . 12 1 1 A 15 15 GLU C C 14 179.549 179.563 -0.014 1 1 177 . 12 1 1 A 15 15 GLU CA C 14 60.444 60.225 0.219 1 1 178 . 12 1 1 A 15 15 GLU CB C 14 28.804 29.184 -0.380 1 1 180 . 12 1 1 A 15 15 GLU N N 14 115.336 117.273 -1.937 1 1 181 . 12 1 1 A 16 16 GLN H H 15 7.752 8.327 -0.575 1 1 182 . 12 1 1 A 16 16 GLN HA H 15 4.044 4.210 -0.166 1 1 189 . 12 1 1 A 16 16 GLN C C 15 177.931 178.649 -0.718 1 1 190 . 12 1 1 A 16 16 GLN CA C 15 58.486 58.470 0.016 1 1 191 . 12 1 1 A 16 16 GLN CB C 15 29.393 28.569 0.824 1 1 194 . 12 1 1 A 16 16 GLN N N 15 119.145 119.283 -0.138 1 1 196 . 12 1 1 A 17 17 ARG H H 16 8.577 8.179 0.398 1 1 197 . 12 1 1 A 17 17 ARG HA H 16 4.280 4.407 -0.127 1 1 202 . 12 1 1 A 17 17 ARG C C 16 177.128 178.952 -1.824 1 1 203 . 12 1 1 A 17 17 ARG CA C 16 61.442 58.645 2.797 1 1 204 . 12 1 1 A 17 17 ARG N N 16 121.288 119.570 1.718 1 1 205 . 12 1 1 A 18 18 VAL H H 17 8.329 8.157 0.172 1 1 206 . 12 1 1 A 18 18 VAL HA H 17 3.938 3.599 0.339 1 1 214 . 12 1 1 A 18 18 VAL C C 17 179.744 178.170 1.574 1 1 215 . 12 1 1 A 18 18 VAL CA C 17 65.441 66.402 -0.961 1 1 216 . 12 1 1 A 18 18 VAL CB C 17 32.080 31.357 0.723 1 1 219 . 12 1 1 A 18 18 VAL N N 17 116.752 120.362 -3.610 1 1 220 . 12 1 1 A 19 19 GLU H H 18 7.445 7.867 -0.422 1 1 221 . 12 1 1 A 19 19 GLU HA H 18 4.270 4.003 0.267 1 1 226 . 12 1 1 A 19 19 GLU C C 18 177.625 178.145 -0.520 1 1 227 . 12 1 1 A 19 19 GLU CA C 18 58.637 59.104 -0.467 1 1 228 . 12 1 1 A 19 19 GLU CB C 18 29.398 29.205 0.193 1 1 230 . 12 1 1 A 19 19 GLU N N 18 120.323 120.033 0.290 1 1 231 . 12 1 1 A 20 20 ASP H H 19 8.690 8.423 0.267 1 1 232 . 12 1 1 A 20 20 ASP HA H 19 4.514 4.336 0.178 1 1 235 . 12 1 1 A 20 20 ASP C C 19 179.877 178.132 1.745 1 1 236 . 12 1 1 A 20 20 ASP CA C 19 57.224 57.840 -0.616 1 1 237 . 12 1 1 A 20 20 ASP CB C 19 41.487 41.918 -0.431 1 1 238 . 12 1 1 A 20 20 ASP N N 19 120.313 120.416 -0.103 1 1 239 . 12 1 1 A 21 21 VAL H H 20 7.731 7.663 0.068 1 1 240 . 12 1 1 A 21 21 VAL HA H 20 3.394 3.362 0.032 1 1 248 . 12 1 1 A 21 21 VAL C C 20 176.989 177.654 -0.665 1 1 249 . 12 1 1 A 21 21 VAL CA C 20 65.989 65.198 0.791 1 1 250 . 12 1 1 A 21 21 VAL CB C 20 31.291 31.107 0.184 1 1 253 . 12 1 1 A 21 21 VAL N N 20 119.119 118.096 1.023 1 1 254 . 12 1 1 A 22 22 ARG H H 21 8.313 8.140 0.173 1 1 255 . 12 1 1 A 22 22 ARG HA H 21 3.825 3.984 -0.159 1 1 263 . 12 1 1 A 22 22 ARG C C 21 180.178 178.086 2.092 1 1 264 . 12 1 1 A 22 22 ARG CA C 21 59.821 58.900 0.921 1 1 265 . 12 1 1 A 22 22 ARG CB C 21 30.164 30.001 0.163 1 1 269 . 12 1 1 A 22 22 ARG N N 21 120.772 121.438 -0.666 1 1 271 . 12 1 1 A 23 23 LEU H H 22 8.306 7.515 0.791 1 1 272 . 12 1 1 A 23 23 LEU HA H 22 4.076 3.924 0.152 1 1 282 . 12 1 1 A 23 23 LEU C C 22 180.221 179.127 1.094 1 1 283 . 12 1 1 A 23 23 LEU CA C 22 57.541 57.843 -0.302 1 1 284 . 12 1 1 A 23 23 LEU CB C 22 42.300 41.508 0.792 1 1 288 . 12 1 1 A 23 23 LEU N N 22 116.413 120.138 -3.725 1 1 289 . 12 1 1 A 24 24 ILE H H 23 7.864 7.681 0.183 1 1 290 . 12 1 1 A 24 24 ILE HA H 23 4.090 3.847 0.243 1 1 300 . 12 1 1 A 24 24 ILE C C 23 177.922 178.396 -0.474 1 1 301 . 12 1 1 A 24 24 ILE CA C 23 60.190 64.623 -4.433 1 1 302 . 12 1 1 A 24 24 ILE CB C 23 38.072 37.508 0.564 1 1 306 . 12 1 1 A 24 24 ILE N N 23 121.259 118.593 2.666 1 1 307 . 12 1 1 A 25 25 ARG H H 24 8.339 8.249 0.090 1 1 308 . 12 1 1 A 25 25 ARG HA H 24 3.973 3.949 0.024 1 1 316 . 12 1 1 A 25 25 ARG C C 24 178.479 178.355 0.124 1 1 317 . 12 1 1 A 25 25 ARG CA C 24 57.337 59.523 -2.186 1 1 318 . 12 1 1 A 25 25 ARG CB C 24 28.663 29.744 -1.081 1 1 322 . 12 1 1 A 25 25 ARG N N 24 121.816 121.742 0.074 1 1 324 . 12 1 1 A 26 26 GLU H H 25 7.133 8.480 -1.347 1 1 325 . 12 1 1 A 26 26 GLU HA H 25 4.052 4.181 -0.129 1 1 330 . 12 1 1 A 26 26 GLU C C 25 178.158 178.324 -0.166 1 1 331 . 12 1 1 A 26 26 GLU CA C 25 58.367 58.979 -0.612 1 1 332 . 12 1 1 A 26 26 GLU CB C 25 29.903 29.976 -0.073 1 1 334 . 12 1 1 A 26 26 GLU N N 25 116.794 118.248 -1.454 1 1 335 . 12 1 1 A 27 27 GLN H H 26 7.283 8.486 -1.203 1 1 336 . 12 1 1 A 27 27 GLN HA H 26 3.888 4.153 -0.265 1 1 343 . 12 1 1 A 27 27 GLN C C 26 176.088 175.972 0.116 1 1 344 . 12 1 1 A 27 27 GLN CA C 26 57.676 57.714 -0.038 1 1 345 . 12 1 1 A 27 27 GLN CB C 26 30.382 29.679 0.703 1 1 348 . 12 1 1 A 27 27 GLN N N 26 116.373 117.705 -1.332 1 1 350 . 12 1 1 A 28 28 HIS H H 27 8.223 8.408 -0.185 1 1 351 . 12 1 1 A 28 28 HIS HA H 27 4.941 5.068 -0.127 1 1 356 . 12 1 1 A 28 28 HIS CA C 27 53.278 53.272 0.006 1 1 357 . 12 1 1 A 28 28 HIS CB C 27 30.933 29.700 1.233 1 1 360 . 12 1 1 A 28 28 HIS N N 27 115.408 116.797 -1.389 1 1 361 . 12 1 1 A 29 29 PRO HA H 28 4.562 4.356 0.206 1 1 368 . 12 1 1 A 29 29 PRO C C 28 178.046 177.823 0.223 1 1 369 . 12 1 1 A 29 29 PRO CA C 28 64.821 64.586 0.235 1 1 370 . 12 1 1 A 29 29 PRO CB C 28 32.447 31.949 0.498 1 1 373 . 12 1 1 A 30 30 THR H H 29 7.820 7.741 0.079 1 1 374 . 12 1 1 A 30 30 THR HA H 29 4.583 4.360 0.223 1 1 379 . 12 1 1 A 30 30 THR C C 29 172.723 173.408 -0.685 1 1 380 . 12 1 1 A 30 30 THR CA C 29 60.826 62.038 -1.212 1 1 381 . 12 1 1 A 30 30 THR CB C 29 68.641 69.228 -0.587 1 1 383 . 12 1 1 A 30 30 THR N N 29 106.682 107.895 -1.213 1 1 384 . 12 1 1 A 31 31 LYS H H 30 7.453 7.257 0.196 1 1 385 . 12 1 1 A 31 31 LYS HA H 30 4.850 4.802 0.048 1 1 394 . 12 1 1 A 31 31 LYS C C 30 174.296 175.273 -0.977 1 1 395 . 12 1 1 A 31 31 LYS CA C 30 53.944 54.513 -0.569 1 1 396 . 12 1 1 A 31 31 LYS CB C 30 36.098 36.624 -0.526 1 1 400 . 12 1 1 A 31 31 LYS N N 30 117.809 120.235 -2.426 1 1 401 . 12 1 1 A 32 32 ILE H H 31 9.265 9.321 -0.056 1 1 402 . 12 1 1 A 32 32 ILE HA H 31 4.106 4.202 -0.096 1 1 412 . 12 1 1 A 32 32 ILE CA C 31 54.606 57.106 -2.500 1 1 413 . 12 1 1 A 32 32 ILE CB C 31 38.448 40.341 -1.893 1 1 417 . 12 1 1 A 32 32 ILE N N 31 122.497 121.914 0.583 1 1 418 . 12 1 1 A 33 33 PRO HA H 32 5.252 4.928 0.324 1 1 425 . 12 1 1 A 33 33 PRO C C 32 174.652 176.686 -2.034 1 1 426 . 12 1 1 A 33 33 PRO CA C 32 61.704 62.461 -0.757 1 1 427 . 12 1 1 A 33 33 PRO CB C 32 31.873 31.610 0.263 1 1 430 . 12 1 1 A 34 34 VAL H H 33 9.359 8.451 0.908 1 1 431 . 12 1 1 A 34 34 VAL HA H 33 5.298 5.226 0.072 1 1 439 . 12 1 1 A 34 34 VAL C C 33 173.633 175.018 -1.385 1 1 440 . 12 1 1 A 34 34 VAL CA C 33 59.830 59.360 0.470 1 1 441 . 12 1 1 A 34 34 VAL CB C 33 36.154 36.225 -0.071 1 1 444 . 12 1 1 A 34 34 VAL N N 33 124.496 116.656 7.840 1 1 445 . 12 1 1 A 35 35 ILE H H 34 8.667 9.079 -0.412 1 1 446 . 12 1 1 A 35 35 ILE HA H 34 4.867 5.217 -0.350 1 1 456 . 12 1 1 A 35 35 ILE C C 34 175.770 174.486 1.284 1 1 457 . 12 1 1 A 35 35 ILE CA C 34 56.320 60.012 -3.692 1 1 458 . 12 1 1 A 35 35 ILE CB C 34 36.909 40.345 -3.436 1 1 462 . 12 1 1 A 35 35 ILE N N 34 127.447 122.077 5.370 1 1 463 . 12 1 1 A 36 36 ILE H H 35 8.422 9.528 -1.106 1 1 464 . 12 1 1 A 36 36 ILE HA H 35 4.890 4.922 -0.032 1 1 474 . 12 1 1 A 36 36 ILE C C 35 175.098 175.555 -0.457 1 1 475 . 12 1 1 A 36 36 ILE CA C 35 60.806 60.102 0.704 1 1 476 . 12 1 1 A 36 36 ILE CB C 35 39.357 38.697 0.660 1 1 480 . 12 1 1 A 36 36 ILE N N 35 124.267 129.256 -4.989 1 1 481 . 12 1 1 A 37 37 GLU H H 36 8.335 8.924 -0.589 1 1 482 . 12 1 1 A 37 37 GLU HA H 36 4.820 4.770 0.050 1 1 487 . 12 1 1 A 37 37 GLU C C 36 173.502 175.295 -1.793 1 1 488 . 12 1 1 A 37 37 GLU CA C 36 54.214 54.077 0.137 1 1 489 . 12 1 1 A 37 37 GLU CB C 36 35.547 33.793 1.754 1 1 491 . 12 1 1 A 37 37 GLU N N 36 123.296 125.802 -2.506 1 1 492 . 12 1 1 A 38 38 ARG H H 37 8.891 8.158 0.733 1 1 493 . 12 1 1 A 38 38 ARG HA H 37 2.755 3.714 -0.959 1 1 501 . 12 1 1 A 38 38 ARG C C 37 176.165 175.237 0.928 1 1 502 . 12 1 1 A 38 38 ARG CA C 37 56.235 55.670 0.565 1 1 503 . 12 1 1 A 38 38 ARG CB C 37 31.328 30.369 0.959 1 1 507 . 12 1 1 A 38 38 ARG N N 37 123.143 121.590 1.553 1 1 509 . 12 1 1 A 39 39 TYR H H 38 8.681 8.354 0.327 1 1 510 . 12 1 1 A 39 39 TYR HA H 38 4.331 4.292 0.039 1 1 517 . 12 1 1 A 39 39 TYR C C 38 177.064 175.323 1.741 1 1 518 . 12 1 1 A 39 39 TYR CA C 38 57.769 59.221 -1.452 1 1 519 . 12 1 1 A 39 39 TYR CB C 38 39.552 38.912 0.640 1 1 522 . 12 1 1 A 39 39 TYR N N 38 128.699 123.247 5.452 1 1 523 . 12 1 1 A 40 40 LYS H H 39 8.454 7.929 0.525 1 1 524 . 12 1 1 A 40 40 LYS HA H 39 3.841 3.850 -0.009 1 1 533 . 12 1 1 A 40 40 LYS C C 39 176.290 176.413 -0.123 1 1 534 . 12 1 1 A 40 40 LYS CA C 39 58.772 56.572 2.200 1 1 535 . 12 1 1 A 40 40 LYS CB C 39 31.738 31.448 0.290 1 1 539 . 12 1 1 A 40 40 LYS N N 39 130.022 123.622 6.400 1 1 540 . 12 1 1 A 41 41 GLY H H 40 5.457 8.806 -3.349 1 1 541 . 12 1 1 A 41 41 GLY HA2 H 40 3.306 3.920 -0.614 1 1 542 . 12 1 1 A 41 41 GLY HA3 H 40 3.999 3.924 0.075 1 1 543 . 12 1 1 A 41 41 GLY C C 40 173.426 174.463 -1.037 1 1 544 . 12 1 1 A 41 41 GLY CA C 40 44.673 44.952 -0.279 1 1 545 . 12 1 1 A 41 41 GLY N N 40 104.628 113.280 -8.652 1 1 546 . 12 1 1 A 42 42 GLU H H 41 7.440 8.427 -0.987 1 1 547 . 12 1 1 A 42 42 GLU HA H 41 4.278 4.611 -0.333 1 1 552 . 12 1 1 A 42 42 GLU C C 41 176.306 176.459 -0.153 1 1 553 . 12 1 1 A 42 42 GLU CA C 41 56.358 56.137 0.221 1 1 554 . 12 1 1 A 42 42 GLU CB C 41 31.014 30.279 0.735 1 1 556 . 12 1 1 A 42 42 GLU N N 41 122.648 121.022 1.626 1 1 557 . 12 1 1 A 43 43 LYS H H 42 8.912 8.512 0.400 1 1 558 . 12 1 1 A 43 43 LYS HA H 42 4.680 4.609 0.071 1 1 567 . 12 1 1 A 43 43 LYS C C 42 177.063 178.147 -1.084 1 1 568 . 12 1 1 A 43 43 LYS CA C 42 55.652 56.525 -0.873 1 1 569 . 12 1 1 A 43 43 LYS CB C 42 34.871 34.271 0.600 1 1 573 . 12 1 1 A 43 43 LYS N N 42 123.569 123.115 0.454 1 1 574 . 12 1 1 A 44 44 GLN H H 43 8.446 8.260 0.186 1 1 575 . 12 1 1 A 44 44 GLN HA H 43 4.545 4.070 0.475 1 1 582 . 12 1 1 A 44 44 GLN C C 43 177.152 177.045 0.107 1 1 583 . 12 1 1 A 44 44 GLN CA C 43 57.561 58.767 -1.206 1 1 584 . 12 1 1 A 44 44 GLN CB C 43 30.671 28.722 1.949 1 1 587 . 12 1 1 A 44 44 GLN N N 43 118.990 118.595 0.395 1 1 589 . 12 1 1 A 45 45 LEU H H 44 9.043 8.080 0.963 1 1 590 . 12 1 1 A 45 45 LEU HA H 44 4.716 4.508 0.208 1 1 600 . 12 1 1 A 45 45 LEU CA C 44 53.078 53.909 -0.831 1 1 601 . 12 1 1 A 45 45 LEU CB C 44 43.614 41.550 2.064 1 1 605 . 12 1 1 A 45 45 LEU N N 44 120.375 120.234 0.141 1 1 606 . 12 1 1 A 46 46 PRO HA H 45 4.723 4.647 0.076 1 1 613 . 12 1 1 A 46 46 PRO C C 45 175.883 176.035 -0.152 1 1 614 . 12 1 1 A 46 46 PRO CA C 45 62.005 62.267 -0.262 1 1 615 . 12 1 1 A 46 46 PRO CB C 45 32.609 32.424 0.185 1 1 618 . 12 1 1 A 47 47 VAL H H 46 8.437 8.493 -0.056 1 1 619 . 12 1 1 A 47 47 VAL HA H 46 3.914 4.286 -0.372 1 1 627 . 12 1 1 A 47 47 VAL C C 46 175.367 176.272 -0.905 1 1 628 . 12 1 1 A 47 47 VAL CA C 46 62.700 61.871 0.829 1 1 629 . 12 1 1 A 47 47 VAL CB C 46 32.927 31.220 1.707 1 1 632 . 12 1 1 A 47 47 VAL N N 46 118.440 121.654 -3.214 1 1 633 . 12 1 1 A 48 48 LEU H H 47 7.863 8.354 -0.491 1 1 634 . 12 1 1 A 48 48 LEU HA H 47 4.384 4.139 0.245 1 1 644 . 12 1 1 A 48 48 LEU C C 47 176.088 177.901 -1.813 1 1 645 . 12 1 1 A 48 48 LEU CA C 47 54.851 56.017 -1.166 1 1 646 . 12 1 1 A 48 48 LEU CB C 47 43.841 44.150 -0.309 1 1 650 . 12 1 1 A 48 48 LEU N N 47 129.127 129.400 -0.273 1 1 651 . 12 1 1 A 49 49 ASP H H 48 8.699 8.909 -0.210 1 1 652 . 12 1 1 A 49 49 ASP HA H 48 4.293 4.332 -0.039 1 1 655 . 12 1 1 A 49 49 ASP C C 48 175.121 175.822 -0.701 1 1 656 . 12 1 1 A 49 49 ASP CA C 48 55.717 57.641 -1.924 1 1 657 . 12 1 1 A 49 49 ASP CB C 48 40.260 40.995 -0.735 1 1 658 . 12 1 1 A 49 49 ASP N N 48 121.389 125.325 -3.936 1 1 659 . 12 1 1 A 50 50 LYS H H 49 7.251 7.403 -0.152 1 1 660 . 12 1 1 A 50 50 LYS HA H 49 4.540 4.553 -0.013 1 1 669 . 12 1 1 A 50 50 LYS C C 49 174.664 174.979 -0.315 1 1 670 . 12 1 1 A 50 50 LYS CA C 49 53.211 55.046 -1.835 1 1 671 . 12 1 1 A 50 50 LYS CB C 49 35.514 34.351 1.163 1 1 675 . 12 1 1 A 50 50 LYS N N 49 118.260 113.017 5.243 1 1 676 . 12 1 1 A 51 51 THR H H 50 8.162 8.026 0.136 1 1 677 . 12 1 1 A 51 51 THR HA H 50 4.685 4.600 0.085 1 1 682 . 12 1 1 A 51 51 THR C C 50 171.631 174.488 -2.857 1 1 683 . 12 1 1 A 51 51 THR CA C 50 63.581 62.818 0.763 1 1 684 . 12 1 1 A 51 51 THR CB C 50 71.587 70.327 1.260 1 1 686 . 12 1 1 A 51 51 THR N N 50 112.535 113.313 -0.778 1 1 687 . 12 1 1 A 52 52 LYS H H 51 6.971 7.442 -0.471 1 1 688 . 12 1 1 A 52 52 LYS HA H 51 4.443 4.489 -0.046 1 1 697 . 12 1 1 A 52 52 LYS C C 51 175.417 175.933 -0.516 1 1 698 . 12 1 1 A 52 52 LYS CA C 51 55.209 55.932 -0.723 1 1 699 . 12 1 1 A 52 52 LYS CB C 51 33.309 33.481 -0.172 1 1 703 . 12 1 1 A 52 52 LYS N N 51 120.227 119.816 0.411 1 1 704 . 12 1 1 A 53 53 PHE H H 52 9.688 9.059 0.629 1 1 705 . 12 1 1 A 53 53 PHE HA H 52 5.675 4.992 0.683 1 1 712 . 12 1 1 A 53 53 PHE C C 52 174.348 174.611 -0.263 1 1 713 . 12 1 1 A 53 53 PHE CA C 52 56.625 56.658 -0.033 1 1 714 . 12 1 1 A 53 53 PHE CB C 52 43.109 43.084 0.025 1 1 716 . 12 1 1 A 53 53 PHE N N 52 124.646 121.169 3.477 1 1 717 . 12 1 1 A 54 54 LEU H H 53 8.470 9.068 -0.598 1 1 718 . 12 1 1 A 54 54 LEU HA H 53 5.044 4.857 0.187 1 1 728 . 12 1 1 A 54 54 LEU C C 53 176.144 175.974 0.170 1 1 729 . 12 1 1 A 54 54 LEU CA C 53 52.954 53.310 -0.356 1 1 730 . 12 1 1 A 54 54 LEU CB C 53 45.081 42.230 2.851 1 1 734 . 12 1 1 A 54 54 LEU N N 53 119.430 124.022 -4.592 1 1 735 . 12 1 1 A 55 55 VAL H H 54 8.802 8.764 0.038 1 1 736 . 12 1 1 A 55 55 VAL HA H 54 4.640 4.520 0.120 1 1 744 . 12 1 1 A 55 55 VAL CA C 54 58.549 59.697 -1.148 1 1 745 . 12 1 1 A 55 55 VAL CB C 54 35.342 31.723 3.619 1 1 748 . 12 1 1 A 55 55 VAL N N 54 123.841 126.015 -2.174 1 1 749 . 12 1 1 A 56 56 PRO HA H 55 4.439 4.769 -0.330 1 1 756 . 12 1 1 A 56 56 PRO C C 55 176.666 176.435 0.231 1 1 757 . 12 1 1 A 56 56 PRO CA C 55 64.256 62.511 1.745 1 1 758 . 12 1 1 A 56 56 PRO CB C 55 32.783 32.153 0.630 1 1 761 . 12 1 1 A 57 57 ASP H H 56 8.412 8.031 0.381 1 1 762 . 12 1 1 A 57 57 ASP HA H 56 3.848 4.594 -0.746 1 1 765 . 12 1 1 A 57 57 ASP C C 56 175.417 176.718 -1.301 1 1 766 . 12 1 1 A 57 57 ASP CA C 56 56.616 53.766 2.850 1 1 767 . 12 1 1 A 57 57 ASP CB C 56 40.410 40.389 0.021 1 1 768 . 12 1 1 A 57 57 ASP N N 56 120.415 122.356 -1.941 1 1 769 . 12 1 1 A 58 58 HIS H H 57 7.373 7.884 -0.511 1 1 770 . 12 1 1 A 58 58 HIS HA H 57 4.770 4.916 -0.146 1 1 775 . 12 1 1 A 58 58 HIS C C 57 176.594 174.166 2.428 1 1 776 . 12 1 1 A 58 58 HIS CA C 57 55.584 55.102 0.482 1 1 777 . 12 1 1 A 58 58 HIS CB C 57 30.628 31.599 -0.971 1 1 780 . 12 1 1 A 58 58 HIS N N 57 113.439 114.763 -1.324 1 1 781 . 12 1 1 A 59 59 VAL H H 58 7.249 7.481 -0.232 1 1 782 . 12 1 1 A 59 59 VAL HA H 58 3.903 4.689 -0.786 1 1 790 . 12 1 1 A 59 59 VAL C C 58 175.014 174.402 0.612 1 1 791 . 12 1 1 A 59 59 VAL CA C 58 62.726 58.881 3.845 1 1 792 . 12 1 1 A 59 59 VAL CB C 58 32.190 36.041 -3.851 1 1 795 . 12 1 1 A 59 59 VAL N N 58 122.597 115.139 7.458 1 1 796 . 12 1 1 A 60 60 ASN H H 59 8.677 8.662 0.015 1 1 797 . 12 1 1 A 60 60 ASN HA H 59 5.187 5.134 0.053 1 1 802 . 12 1 1 A 60 60 ASN C C 59 176.477 176.620 -0.143 1 1 803 . 12 1 1 A 60 60 ASN CA C 59 51.181 51.796 -0.615 1 1 804 . 12 1 1 A 60 60 ASN CB C 59 39.947 41.170 -1.223 1 1 806 . 12 1 1 A 60 60 ASN N N 59 122.962 118.837 4.125 1 1 808 . 12 1 1 A 61 61 MET H H 60 8.038 8.457 -0.419 1 1 809 . 12 1 1 A 61 61 MET HA H 60 4.426 4.205 0.221 1 1 817 . 12 1 1 A 61 61 MET C C 60 177.996 178.426 -0.430 1 1 818 . 12 1 1 A 61 61 MET CA C 60 57.118 57.913 -0.795 1 1 819 . 12 1 1 A 61 61 MET CB C 60 29.998 32.095 -2.097 1 1 822 . 12 1 1 A 61 61 MET N N 60 116.814 121.994 -5.180 1 1 823 . 12 1 1 A 62 62 SER H H 61 8.401 8.318 0.083 1 1 824 . 12 1 1 A 62 62 SER HA H 61 4.132 4.111 0.021 1 1 827 . 12 1 1 A 62 62 SER C C 61 177.255 176.868 0.387 1 1 828 . 12 1 1 A 62 62 SER CA C 61 61.559 61.443 0.116 1 1 829 . 12 1 1 A 62 62 SER CB C 61 62.430 62.766 -0.336 1 1 830 . 12 1 1 A 62 62 SER N N 61 114.109 117.352 -3.243 1 1 831 . 12 1 1 A 63 63 GLU H H 62 8.014 7.831 0.183 1 1 832 . 12 1 1 A 63 63 GLU HA H 62 4.016 3.954 0.062 1 1 837 . 12 1 1 A 63 63 GLU C C 62 178.327 178.831 -0.504 1 1 838 . 12 1 1 A 63 63 GLU CA C 62 58.787 59.452 -0.665 1 1 839 . 12 1 1 A 63 63 GLU CB C 62 29.814 29.248 0.566 1 1 841 . 12 1 1 A 63 63 GLU N N 62 122.806 121.151 1.655 1 1 842 . 12 1 1 A 64 64 LEU H H 63 8.254 8.179 0.075 1 1 843 . 12 1 1 A 64 64 LEU HA H 63 3.932 3.960 -0.028 1 1 853 . 12 1 1 A 64 64 LEU C C 63 178.029 178.507 -0.478 1 1 854 . 12 1 1 A 64 64 LEU CA C 63 57.986 58.254 -0.268 1 1 855 . 12 1 1 A 64 64 LEU CB C 63 41.377 41.884 -0.507 1 1 859 . 12 1 1 A 64 64 LEU N N 63 120.526 121.859 -1.333 1 1 860 . 12 1 1 A 65 65 ILE H H 64 8.415 8.292 0.123 1 1 861 . 12 1 1 A 65 65 ILE HA H 64 3.377 3.640 -0.263 1 1 871 . 12 1 1 A 65 65 ILE C C 64 177.078 177.845 -0.767 1 1 872 . 12 1 1 A 65 65 ILE CA C 64 66.699 65.788 0.911 1 1 873 . 12 1 1 A 65 65 ILE CB C 64 38.128 37.832 0.296 1 1 877 . 12 1 1 A 65 65 ILE N N 64 118.349 120.068 -1.719 1 1 878 . 12 1 1 A 66 66 LYS H H 65 7.366 8.054 -0.688 1 1 879 . 12 1 1 A 66 66 LYS HA H 65 3.696 4.024 -0.328 1 1 888 . 12 1 1 A 66 66 LYS C C 65 179.260 179.207 0.053 1 1 889 . 12 1 1 A 66 66 LYS CA C 65 60.593 59.120 1.473 1 1 890 . 12 1 1 A 66 66 LYS CB C 65 32.421 31.324 1.097 1 1 894 . 12 1 1 A 66 66 LYS N N 65 118.334 118.844 -0.510 1 1 895 . 12 1 1 A 67 67 ILE H H 66 8.179 7.957 0.222 1 1 896 . 12 1 1 A 67 67 ILE HA H 66 3.546 3.636 -0.090 1 1 906 . 12 1 1 A 67 67 ILE C C 66 178.784 177.616 1.168 1 1 907 . 12 1 1 A 67 67 ILE CA C 66 65.488 65.239 0.249 1 1 908 . 12 1 1 A 67 67 ILE CB C 66 38.593 37.886 0.707 1 1 912 . 12 1 1 A 67 67 ILE N N 66 119.791 119.626 0.165 1 1 913 . 12 1 1 A 68 68 ILE H H 67 8.279 8.452 -0.173 1 1 914 . 12 1 1 A 68 68 ILE HA H 67 3.391 3.323 0.068 1 1 924 . 12 1 1 A 68 68 ILE C C 67 177.403 177.587 -0.184 1 1 925 . 12 1 1 A 68 68 ILE CA C 67 63.144 65.115 -1.971 1 1 926 . 12 1 1 A 68 68 ILE CB C 67 35.269 37.599 -2.330 1 1 930 . 12 1 1 A 68 68 ILE N N 67 120.267 119.947 0.320 1 1 931 . 12 1 1 A 69 69 ARG H H 68 8.454 8.026 0.428 1 1 932 . 12 1 1 A 69 69 ARG HA H 68 2.966 3.359 -0.393 1 1 939 . 12 1 1 A 69 69 ARG C C 68 178.385 177.836 0.549 1 1 940 . 12 1 1 A 69 69 ARG CA C 68 60.642 58.417 2.225 1 1 941 . 12 1 1 A 69 69 ARG CB C 68 30.442 29.985 0.457 1 1 944 . 12 1 1 A 69 69 ARG N N 68 118.881 120.284 -1.403 1 1 945 . 12 1 1 A 70 70 ARG H H 69 7.492 7.592 -0.100 1 1 946 . 12 1 1 A 70 70 ARG HA H 69 4.164 4.070 0.094 1 1 954 . 12 1 1 A 70 70 ARG C C 69 180.253 178.779 1.474 1 1 955 . 12 1 1 A 70 70 ARG CA C 69 58.510 58.875 -0.365 1 1 956 . 12 1 1 A 70 70 ARG CB C 69 29.587 29.920 -0.333 1 1 960 . 12 1 1 A 70 70 ARG N N 69 116.411 118.914 -2.503 1 1 962 . 12 1 1 A 71 71 ARG H H 70 8.086 8.168 -0.082 1 1 963 . 12 1 1 A 71 71 ARG HA H 70 4.025 4.019 0.006 1 1 970 . 12 1 1 A 71 71 ARG C C 70 178.558 178.556 0.002 1 1 971 . 12 1 1 A 71 71 ARG CA C 70 59.428 58.974 0.454 1 1 972 . 12 1 1 A 71 71 ARG CB C 70 30.235 30.543 -0.308 1 1 975 . 12 1 1 A 71 71 ARG N N 70 122.779 119.389 3.390 1 1 976 . 12 1 1 A 72 72 LEU H H 71 7.755 7.710 0.045 1 1 977 . 12 1 1 A 72 72 LEU HA H 71 4.081 4.089 -0.008 1 1 987 . 12 1 1 A 72 72 LEU C C 71 174.852 176.477 -1.625 1 1 988 . 12 1 1 A 72 72 LEU CA C 71 55.060 55.319 -0.259 1 1 989 . 12 1 1 A 72 72 LEU CB C 71 43.109 41.660 1.449 1 1 993 . 12 1 1 A 72 72 LEU N N 71 116.551 118.354 -1.803 1 1 994 . 12 1 1 A 73 73 GLN H H 72 7.740 7.554 0.186 1 1 995 . 12 1 1 A 73 73 GLN HA H 72 3.853 3.941 -0.088 1 1 1002 . 12 1 1 A 73 73 GLN C C 72 175.619 174.871 0.748 1 1 1003 . 12 1 1 A 73 73 GLN CA C 72 56.273 56.539 -0.266 1 1 1004 . 12 1 1 A 73 73 GLN CB C 72 25.939 26.340 -0.401 1 1 1007 . 12 1 1 A 73 73 GLN N N 72 114.737 117.818 -3.081 1 1 1009 . 12 1 1 A 74 74 LEU H H 73 7.525 7.410 0.115 1 1 1010 . 12 1 1 A 74 74 LEU HA H 73 4.242 4.470 -0.228 1 1 1020 . 12 1 1 A 74 74 LEU C C 73 178.611 175.687 2.924 1 1 1021 . 12 1 1 A 74 74 LEU CA C 73 54.382 54.132 0.250 1 1 1022 . 12 1 1 A 74 74 LEU CB C 73 41.995 42.224 -0.229 1 1 1026 . 12 1 1 A 74 74 LEU N N 73 114.861 120.467 -5.606 1 1 1027 . 12 1 1 A 75 75 ASN H H 74 8.970 8.464 0.506 1 1 1028 . 12 1 1 A 75 75 ASN HA H 74 4.694 5.080 -0.386 1 1 1033 . 12 1 1 A 75 75 ASN C C 74 176.527 175.698 0.829 1 1 1034 . 12 1 1 A 75 75 ASN CA C 74 52.686 51.069 1.617 1 1 1035 . 12 1 1 A 75 75 ASN CB C 74 39.583 41.989 -2.406 1 1 1037 . 12 1 1 A 75 75 ASN N N 74 121.274 118.276 2.998 1 1 1039 . 12 1 1 A 76 76 ALA H H 75 8.697 8.666 0.031 1 1 1040 . 12 1 1 A 76 76 ALA HA H 75 3.966 4.002 -0.036 1 1 1044 . 12 1 1 A 76 76 ALA C C 75 178.002 179.753 -1.751 1 1 1045 . 12 1 1 A 76 76 ALA CA C 75 54.797 55.166 -0.369 1 1 1046 . 12 1 1 A 76 76 ALA CB C 75 18.669 18.046 0.623 1 1 1047 . 12 1 1 A 76 76 ALA N N 75 123.590 125.033 -1.443 1 1 1048 . 12 1 1 A 77 77 ASN H H 76 8.344 8.236 0.108 1 1 1049 . 12 1 1 A 77 77 ASN HA H 76 4.585 4.576 0.009 1 1 1054 . 12 1 1 A 77 77 ASN C C 76 175.371 175.872 -0.501 1 1 1055 . 12 1 1 A 77 77 ASN CA C 76 53.183 56.124 -2.941 1 1 1056 . 12 1 1 A 77 77 ASN CB C 76 38.277 38.054 0.223 1 1 1058 . 12 1 1 A 77 77 ASN N N 76 112.004 114.984 -2.980 1 1 1060 . 12 1 1 A 78 78 GLN H H 77 7.532 7.567 -0.035 1 1 1061 . 12 1 1 A 78 78 GLN HA