data_10191_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10191 _Entry.PDB_ID 2EOP _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 8 8 THR CA C 8 61.809 63.544 -1.735 1 1 2 . 1 1 1 A 8 8 THR HA H 8 4.339 4.435 -0.096 1 1 3 . 1 1 1 A 8 8 THR CB C 8 69.833 70.076 -0.243 1 1 9 . 1 1 1 A 8 8 THR C C 8 175.270 174.702 0.568 1 1 10 . 1 1 1 A 9 9 GLY N N 9 111.063 105.766 5.297 1 1 11 . 1 1 1 A 9 9 GLY H H 9 8.444 7.281 1.163 1 1 12 . 1 1 1 A 9 9 GLY CA C 9 45.198 45.400 -0.202 1 1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.925 3.975 -0.050 1 1 14 . 1 1 1 A 9 9 GLY HA3 H 9 3.888 3.985 -0.097 1 1 15 . 1 1 1 A 9 9 GLY C C 9 174.015 171.974 2.041 1 1 16 . 1 1 1 A 10 10 GLU N N 10 120.294 120.595 -0.301 1 1 17 . 1 1 1 A 10 10 GLU H H 10 8.193 8.297 -0.104 1 1 18 . 1 1 1 A 10 10 GLU CA C 10 56.635 56.066 0.569 1 1 19 . 1 1 1 A 10 10 GLU HA H 10 4.170 4.736 -0.566 1 1 20 . 1 1 1 A 10 10 GLU CB C 10 30.501 30.764 -0.263 1 1 26 . 1 1 1 A 10 10 GLU C C 10 176.395 175.808 0.587 1 1 27 . 1 1 1 A 11 11 LYS N N 11 122.626 125.210 -2.584 1 1 28 . 1 1 1 A 11 11 LYS H H 11 8.329 8.487 -0.158 1 1 29 . 1 1 1 A 11 11 LYS CA C 11 53.922 53.153 0.769 1 1 30 . 1 1 1 A 11 11 LYS HA H 11 4.446 4.753 -0.307 1 1 31 . 1 1 1 A 11 11 LYS CB C 11 32.479 33.735 -1.256 1 1 43 . 1 1 1 A 11 11 LYS C C 11 174.018 176.229 -2.211 1 1 44 . 1 1 1 A 12 12 PRO CA C 12 63.321 63.709 -0.388 1 1 45 . 1 1 1 A 12 12 PRO HA H 12 4.283 4.338 -0.055 1 1 46 . 1 1 1 A 12 12 PRO CB C 12 32.313 31.059 1.254 1 1 55 . 1 1 1 A 12 12 PRO C C 12 176.149 175.900 0.249 1 1 56 . 1 1 1 A 13 13 HIS N N 13 119.256 117.229 2.027 1 1 57 . 1 1 1 A 13 13 HIS H H 13 8.026 7.438 0.588 1 1 58 . 1 1 1 A 13 13 HIS CA C 13 55.275 54.846 0.429 1 1 59 . 1 1 1 A 13 13 HIS HA H 13 4.602 5.137 -0.535 1 1 60 . 1 1 1 A 13 13 HIS CB C 13 30.264 32.039 -1.775 1 1 67 . 1 1 1 A 13 13 HIS C C 13 174.072 173.546 0.526 1 1 68 . 1 1 1 A 14 14 GLU N N 14 124.697 125.557 -0.860 1 1 69 . 1 1 1 A 14 14 GLU H H 14 8.462 9.266 -0.804 1 1 70 . 1 1 1 A 14 14 GLU CA C 14 55.194 54.927 0.267 1 1 71 . 1 1 1 A 14 14 GLU HA H 14 4.702 5.384 -0.682 1 1 72 . 1 1 1 A 14 14 GLU CB C 14 32.794 32.841 -0.047 1 1 78 . 1 1 1 A 14 14 GLU C C 14 175.024 175.139 -0.115 1 1 79 . 1 1 1 A 15 15 CYS N N 15 126.805 125.194 1.611 1 1 80 . 1 1 1 A 15 15 CYS H H 15 9.220 9.282 -0.062 1 1 81 . 1 1 1 A 15 15 CYS CA C 15 59.261 57.900 1.361 1 1 82 . 1 1 1 A 15 15 CYS HA H 15 4.564 4.728 -0.164 1 1 83 . 1 1 1 A 15 15 CYS CB C 15 29.450 27.566 1.884 1 1 86 . 1 1 1 A 15 15 CYS C C 15 177.227 175.330 1.897 1 1 87 . 1 1 1 A 16 16 ARG N N 16 114.338 127.859 -13.521 1 1 88 . 1 1 1 A 16 16 ARG H H 16 9.348 8.548 0.800 1 1 89 . 1 1 1 A 16 16 ARG CA C 16 58.121 58.631 -0.510 1 1 90 . 1 1 1 A 16 16 ARG HA H 16 4.164 3.957 0.207 1 1 91 . 1 1 1 A 16 16 ARG CB C 16 29.789 30.169 -0.380 1 1 99 . 1 1 1 A 16 16 ARG C C 16 176.716 177.725 -1.009 1 1 100 . 1 1 1 A 17 17 GLU N N 17 119.673 117.756 1.917 1 1 101 . 1 1 1 A 17 17 GLU H H 17 8.516 7.885 0.631 1 1 102 . 1 1 1 A 17 17 GLU CA C 17 58.332 58.937 -0.605 1 1 103 . 1 1 1 A 17 17 GLU HA H 17 4.146 3.934 0.212 1 1 104 . 1 1 1 A 17 17 GLU CB C 17 29.305 29.345 -0.040 1 1 110 . 1 1 1 A 17 17 GLU C C 17 177.290 177.934 -0.644 1 1 111 . 1 1 1 A 18 18 CYS N N 18 114.190 114.790 -0.600 1 1 112 . 1 1 1 A 18 18 CYS H H 18 7.848 7.973 -0.125 1 1 113 . 1 1 1 A 18 18 CYS CA C 18 58.352 59.604 -1.252 1 1 114 . 1 1 1 A 18 18 CYS HA H 18 5.141 4.714 0.427 1 1 115 . 1 1 1 A 18 18 CYS CB C 18 32.546 30.058 2.488 1 1 118 . 1 1 1 A 18 18 CYS C C 18 176.195 175.498 0.697 1 1 119 . 1 1 1 A 19 19 GLY N N 19 113.563 109.860 3.703 1 1 120 . 1 1 1 A 19 19 GLY H H 19 8.233 8.043 0.190 1 1 121 . 1 1 1 A 19 19 GLY CA C 19 46.147 44.983 1.164 1 1 122 . 1 1 1 A 19 19 GLY HA2 H 19 3.839 4.090 -0.251 1 1 123 . 1 1 1 A 19 19 GLY HA3 H 19 4.195 4.099 0.096 1 1 124 . 1 1 1 A 19 19 GLY C C 19 173.979 174.526 -0.547 1 1 125 . 1 1 1 A 20 20 LYS N N 20 122.714 120.975 1.739 1 1 126 . 1 1 1 A 20 20 LYS H H 20 7.906 7.402 0.504 1 1 127 . 1 1 1 A 20 20 LYS CA C 20 57.773 56.319 1.454 1 1 128 . 1 1 1 A 20 20 LYS HA H 20 4.016 4.261 -0.245 1 1 129 . 1 1 1 A 20 20 LYS CB C 20 33.694 34.062 -0.368 1 1 141 . 1 1 1 A 20 20 LYS C C 20 174.181 175.409 -1.228 1 1 142 . 1 1 1 A 21 21 SER N N 21 114.889 112.570 2.319 1 1 143 . 1 1 1 A 21 21 SER H H 21 7.770 8.246 -0.476 1 1 144 . 1 1 1 A 21 21 SER CA C 21 56.643 56.802 -0.159 1 1 145 . 1 1 1 A 21 21 SER HA H 21 5.178 5.584 -0.406 1 1 146 . 1 1 1 A 21 21 SER CB C 21 65.863 65.842 0.021 1 1 149 . 1 1 1 A 21 21 SER C C 21 173.075 172.818 0.257 1 1 150 . 1 1 1 A 22 22 PHE N N 22 118.070 121.111 -3.041 1 1 151 . 1 1 1 A 22 22 PHE H H 22 8.425 9.431 -1.006 1 1 152 . 1 1 1 A 22 22 PHE CA C 22 57.274 56.432 0.842 1 1 153 . 1 1 1 A 22 22 PHE HA H 22 4.717 5.039 -0.322 1 1 154 . 1 1 1 A 22 22 PHE CB C 22 43.580 41.911 1.669 1 1 167 . 1 1 1 A 22 22 PHE C C 22 175.562 176.292 -0.730 1 1 168 . 1 1 1 A 23 23 SER N N 23 117.719 118.375 -0.656 1 1 169 . 1 1 1 A 23 23 SER H H 23 8.890 8.836 0.054 1 1 170 . 1 1 1 A 23 23 SER CA C 23 61.814 62.566 -0.752 1 1 171 . 1 1 1 A 23 23 SER HA H 23 4.259 4.427 -0.168 1 1 172 . 1 1 1 A 23 23 SER CB C 23 63.470 63.169 0.301 1 1 175 . 1 1 1 A 23 23 SER C C 23 173.419 174.982 -1.563 1 1 176 . 1 1 1 A 24 24 PHE N N 24 114.646 118.242 -3.596 1 1 177 . 1 1 1 A 24 24 PHE H H 24 7.747 8.377 -0.630 1 1 178 . 1 1 1 A 24 24 PHE CA C 24 55.800 56.887 -1.087 1 1 179 . 1 1 1 A 24 24 PHE HA H 24 4.891 5.225 -0.334 1 1 180 . 1 1 1 A 24 24 PHE CB C 24 42.497 41.779 0.718 1 1 193 . 1 1 1 A 24 24 PHE C C 24 176.175 175.592 0.583 1 1 194 . 1 1 1 A 25 25 ASN CA C 25 56.980 55.801 1.179 1 1 195 . 1 1 1 A 25 25 ASN HA H 25 3.746 3.585 0.161 1 1 196 . 1 1 1 A 25 25 ASN CB C 25 38.999 38.340 0.659 1 1 202 . 1 1 1 A 26 26 SER CA C 26 61.136 61.825 -0.689 1 1 203 . 1 1 1 A 26 26 SER HA H 26 3.884 4.195 -0.311 1 1 204 . 1 1 1 A 26 26 SER CB C 26 61.259 62.926 -1.667 1 1 207 . 1 1 1 A 26 26 SER C C 26 176.598 176.892 -0.294 1 1 208 . 1 1 1 A 27 27 GLN N N 27 119.387 121.828 -2.441 1 1 209 . 1 1 1 A 27 27 GLN H H 27 6.763 7.948 -1.185 1 1 210 . 1 1 1 A 27 27 GLN CA C 27 57.426 58.644 -1.218 1 1 211 . 1 1 1 A 27 27 GLN HA H 27 3.946 3.934 0.012 1 1 212 . 1 1 1 A 27 27 GLN CB C 27 28.943 28.532 0.411 1 1 221 . 1 1 1 A 27 27 GLN C C 27 178.638 177.736 0.902 1 1 222 . 1 1 1 A 28 28 LEU N N 28 122.438 120.869 1.569 1 1 223 . 1 1 1 A 28 28 LEU H H 28 6.991 7.386 -0.395 1 1 224 . 1 1 1 A 28 28 LEU CA C 28 57.746 57.051 0.695 1 1 225 . 1 1 1 A 28 28 LEU HA H 28 3.313 2.553 0.760 1 1 226 . 1 1 1 A 28 28 LEU CB C 28 40.505 41.711 -1.206 1 1 239 . 1 1 1 A 28 28 LEU C C 28 177.395 178.458 -1.063 1 1 240 . 1 1 1 A 29 29 ILE N N 29 118.379 118.908 -0.529 1 1 241 . 1 1 1 A 29 29 ILE H H 29 7.976 7.729 0.247 1 1 242 . 1 1 1 A 29 29 ILE CA C 29 64.459 64.882 -0.423 1 1 243 . 1 1 1 A 29 29 ILE HA H 29 3.726 3.620 0.106 1 1 244 . 1 1 1 A 29 29 ILE CB C 29 37.373 37.725 -0.352 1 1 257 . 1 1 1 A 29 29 ILE C C 29 178.970 178.073 0.897 1 1 258 . 1 1 1 A 30 30 VAL N N 30 118.496 120.100 -1.604 1 1 259 . 1 1 1 A 30 30 VAL H H 30 7.047 7.907 -0.860 1 1 260 . 1 1 1 A 30 30 VAL CA C 30 66.457 66.411 0.046 1 1 261 . 1 1 1 A 30 30 VAL HA H 30 3.491 3.542 -0.051 1 1 262 . 1 1 1 A 30 30 VAL CB C 30 32.038 31.429 0.609 1 1 272 . 1 1 1 A 30 30 VAL C C 30 178.763 178.060 0.703 1 1 273 . 1 1 1 A 31 31 HIS N N 31 119.928 119.942 -0.014 1 1 274 . 1 1 1 A 31 31 HIS H H 31 7.577 7.692 -0.115 1 1 275 . 1 1 1 A 31 31 HIS CA C 31 59.301 59.523 -0.222 1 1 276 . 1 1 1 A 31 31 HIS HA H 31 4.113 4.207 -0.094 1 1 277 . 1 1 1 A 31 31 HIS CB C 31 28.544 29.957 -1.413 1 1 284 . 1 1 1 A 31 31 HIS C C 31 176.226 177.382 -1.156 1 1 285 . 1 1 1 A 32 32 GLN N N 32 114.793 118.237 -3.444 1 1 286 . 1 1 1 A 32 32 GLN H H 32 8.456 8.460 -0.004 1 1 287 . 1 1 1 A 32 32 GLN CA C 32 59.269 59.048 0.221 1 1 288 . 1 1 1 A 32 32 GLN HA H 32 3.645 3.899 -0.254 1 1 289 . 1 1 1 A 32 32 GLN CB C 32 28.282 28.249 0.033 1 1 298 . 1 1 1 A 32 32 GLN C C 32 177.376 178.406 -1.030 1 1 299 . 1 1 1 A 33 33 ARG N N 33 117.873 118.150 -0.277 1 1 300 . 1 1 1 A 33 33 ARG H H 33 7.186 7.791 -0.605 1 1 301 . 1 1 1 A 33 33 ARG CA C 33 58.401 58.206 0.195 1 1 302 . 1 1 1 A 33 33 ARG HA H 33 4.125 4.041 0.084 1 1 303 . 1 1 1 A 33 33 ARG CB C 33 30.016 30.008 0.008 1 1 312 . 1 1 1 A 33 33 ARG C C 33 178.684 177.628 1.056 1 1 313 . 1 1 1 A 34 34 ILE N N 34 116.164 115.427 0.737 1 1 314 . 1 1 1 A 34 34 ILE H H 34 7.837 7.793 0.044 1 1 315 . 1 1 1 A 34 34 ILE CA C 34 63.143 63.888 -0.745 1 1 316 . 1 1 1 A 34 34 ILE HA H 34 3.937 3.782 0.155 1 1 317 . 1 1 1 A 34 34 ILE CB C 34 37.689 37.294 0.395 1 1 330 . 1 1 1 A 34 34 ILE C C 34 177.369 178.128 -0.759 1 1 331 . 1 1 1 A 35 35 HIS N N 35 117.537 120.805 -3.268 1 1 332 . 1 1 1 A 35 35 HIS H H 35 7.184 7.660 -0.476 1 1 333 . 1 1 1 A 35 35 HIS CA C 35 55.178 59.417 -4.239 1 1 334 . 1 1 1 A 35 35 HIS HA H 35 4.842 4.407 0.435 1 1 335 . 1 1 1 A 35 35 HIS CB C 35 28.550 30.327 -1.777 1 1 342 . 1 1 1 A 35 35 HIS C C 35 175.800 178.040 -2.240 1 1 343 . 1 1 1 A 36 36 THR N N 36 111.364 113.259 -1.895 1 1 344 . 1 1 1 A 36 36 THR H H 36 7.747 7.587 0.160 1 1 345 . 1 1 1 A 36 36 THR CA C 36 62.359 65.166 -2.807 1 1 346 . 1 1 1 A 36 36 THR HA H 36 4.337 3.949 0.388 1 1 347 . 1 1 1 A 36 36 THR CB C 36 69.835 68.666 1.169 1 1 353 . 1 1 1 A 36 36 THR C C 36 175.474 176.755 -1.281 1 1 354 . 1 1 1 A 37 37 GLY N N 37 110.552 107.903 2.649 1 1 355 . 1 1 1 A 37 37 GLY H H 37 8.181 8.328 -0.147 1 1 356 . 1 1 1 A 37 37 GLY CA C 37 45.346 47.479 -2.133 1 1 357 . 1 1 1 A 37 37 GLY HA2 H 37 4.001 3.733 0.268 1 1 358 . 1 1 1 A 37 37 GLY HA3 H 37 3.922 3.746 0.176 1 1 359 . 1 1 1 A 37 37 GLY C C 37 174.041 173.864 0.177 1 1 360 . 1 1 1 A 38 38 GLU N N 38 120.135 115.399 4.736 1 1 361 . 1 1 1 A 38 38 GLU H H 38 8.080 7.669 0.411 1 1 362 . 1 1 1 A 38 38 GLU CA C 38 56.450 54.264 2.186 1 1 363 . 1 1 1 A 38 38 GLU HA H 38 4.205 4.934 -0.729 1 1 364 . 1 1 1 A 38 38 GLU CB C 38 30.467 31.704 -1.237 1 1 370 . 1 1 1 A 38 38 GLU C C 38 175.932 175.314 0.618 1 1 371 . 1 1 1 A 39 39 ASN N N 39 120.503 118.389 2.114 1 1 372 . 1 1 1 A 39 39 ASN H H 39 8.511 8.691 -0.180 1 1 373 . 1 1 1 A 39 39 ASN CA C 39 51.313 50.782 0.531 1 1 374 . 1 1 1 A 39 39 ASN HA H 39 4.931 5.445 -0.514 1 1 375 . 1 1 1 A 39 39 ASN CB C 39 38.883 39.288 -0.405 1 1 381 . 1 1 1 A 39 39 ASN C C 39 173.367 172.717 0.650 1 1 382 . 1 1 1 A 40 40 PRO CA C 40 63.564 62.306 1.258 1 1 383 . 1 1 1 A 40 40 PRO HA H 40 4.419 4.654 -0.235 1 1 384 . 1 1 1 A 40 40 PRO CB C 40 32.140 33.335 -1.195 1 1 391 . 1 1 1 A 40 40 PRO C C 40 177.061 175.853 1.208 1 1 392 . 1 1 1 A 41 41 SER N N 41 115.581 117.182 -1.601 1 1 393 . 1 1 1 A 41 41 SER H H 41 8.354 8.388 -0.034 1 1 394 . 1 1 1 A 41 41 SER CA C 41 58.463 59.340 -0.877 1 1 395 . 1 1 1 A 41 41 SER HA H 41 4.442 4.298 0.144 1 1 396 . 1 1 1 A 41 41 SER CB C 41 63.856 62.100 1.756 1 1 399 . 1 1 1 A 41 41 SER C C 41 174.582 175.048 -0.466 1 1 400 . 1 1 1 A 42 42 GLY N N 42 110.438 115.081 -4.643 1 1 401 . 1 1 1 A 42 42 GLY H H 42 8.097 8.575 -0.478 1 1 402 . 1 1 1 A 42 42 GLY CA C 42 44.649 46.981 -2.332 1 1 403 . 1 1 1 A 42 42 GLY HA2 H 42 4.121 3.909 0.212 1 1 404 . 1 1 1 A 42 42 GLY HA3 H 42 4.072 3.909 0.163 1 1 405 . 1 1 1 A 42 42 GLY C C 42 171.675 175.618 -3.943 1 1 406 . 1 1 1 A 43 43 PRO CA C 43 63.436 64.851 -1.415 1 1 407 . 1 1 1 A 43 43 PRO HA H 43 4.421 4.479 -0.058 1 1 408 . 1 1 1 A 43 43 PRO CB C 43 32.168 32.110 0.058 1 1 417 . 1 1 1 A 43 43 PRO C C 43 177.358 175.923 1.435 1 1 418 . 1 1 1 A 44 44 SER N N 44 116.459 108.228 8.231 1 1 419 . 1 1 1 A 44 44 SER H H 44 8.513 7.547 0.966 1 1 420 . 1 1 1 A 44 44 SER CA C 44 58.367 57.151 1.216 1 1 421 . 1 1 1 A 44 44 SER HA H 44 4.465 4.690 -0.225 1 1 422 . 1 1 1 A 44 44 SER CB C 44 63.692 65.631 -1.939 1 1 425 . 1 1 1 A 44 44 SER C C 44 174.649 174.490 0.159 1 1 426 . 1 1 1 A 45 45 SER N N 45 117.890 117.652 0.238 1 1 427 . 1 1 1 A 45 45 SER H H 45 8.318 8.917 -0.599 1 1 1 . 2 1 1 A 8 8 THR CA C 8 61.809 64.628 -2.819 1 1 2 . 2 1 1 A 8 8 THR HA H 8 4.339 4.183 0.156 1 1 3 . 2 1 1 A 8 8 THR CB C 8 69.833 69.034 0.799 1 1 9 . 2 1 1 A 8 8 THR C C 8 175.270 175.494 -0.224 1 1 10 . 2 1 1 A 9 9 GLY N N 9 111.063 110.260 0.803 1 1 11 . 2 1 1 A 9 9 GLY H H 9 8.444 7.752 0.692 1 1 12 . 2 1 1 A 9 9 GLY CA C 9 45.198 45.002 0.196 1 1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.925 4.068 -0.143 1 1 14 . 2 1 1 A 9 9 GLY HA3 H 9 3.888 4.070 -0.182 1 1 15 . 2 1 1 A 9 9 GLY C C 9 174.015 172.679 1.336 1 1 16 . 2 1 1 A 10 10 GLU N N 10 120.294 120.847 -0.553 1 1 17 . 2 1 1 A 10 10 GLU H H 10 8.193 8.524 -0.331 1 1 18 . 2 1 1 A 10 10 GLU CA C 10 56.635 54.814 1.821 1 1 19 . 2 1 1 A 10 10 GLU HA H 10 4.170 5.065 -0.895 1 1 20 . 2 1 1 A 10 10 GLU CB C 10 30.501 33.408 -2.907 1 1 26 . 2 1 1 A 10 10 GLU C C 10 176.395 174.443 1.952 1 1 27 . 2 1 1 A 11 11 LYS N N 11 122.626 122.895 -0.269 1 1 28 . 2 1 1 A 11 11 LYS H H 11 8.329 8.530 -0.201 1 1 29 . 2 1 1 A 11 11 LYS CA C 11 53.922 53.151 0.771 1 1 30 . 2 1 1 A 11 11 LYS HA H 11 4.446 4.755 -0.309 1 1 31 . 2 1 1 A 11 11 LYS CB C 11 32.479 33.983 -1.504 1 1 43 . 2 1 1 A 11 11 LYS C C 11 174.018 176.242 -2.224 1 1 44 . 2 1 1 A 12 12 PRO CA C 12 63.321 63.712 -0.391 1 1 45 . 2 1 1 A 12 12 PRO HA H 12 4.283 4.340 -0.057 1 1 46 . 2 1 1 A 12 12 PRO CB C 12 32.313 31.061 1.252 1 1 55 . 2 1 1 A 12 12 PRO C C 12 176.149 175.901 0.248 1 1 56 . 2 1 1 A 13 13 HIS N N 13 119.256 117.048 2.208 1 1 57 . 2 1 1 A 13 13 HIS H H 13 8.026 7.442 0.584 1 1 58 . 2 1 1 A 13 13 HIS CA C 13 55.275 54.926 0.349 1 1 59 . 2 1 1 A 13 13 HIS HA H 13 4.602 5.104 -0.502 1 1 60 . 2 1 1 A 13 13 HIS CB C 13 30.264 32.044 -1.780 1 1 67 . 2 1 1 A 13 13 HIS C C 13 174.072 173.548 0.524 1 1 68 . 2 1 1 A 14 14 GLU N N 14 124.697 125.552 -0.855 1 1 69 . 2 1 1 A 14 14 GLU H H 14 8.462 9.257 -0.795 1 1 70 . 2 1 1 A 14 14 GLU CA C 14 55.194 55.046 0.148 1 1 71 . 2 1 1 A 14 14 GLU HA H 14 4.702 5.338 -0.636 1 1 72 . 2 1 1 A 14 14 GLU CB C 14 32.794 32.573 0.221 1 1 78 . 2 1 1 A 14 14 GLU C C 14 175.024 175.324 -0.300 1 1 79 . 2 1 1 A 15 15 CYS N N 15 126.805 124.892 1.913 1 1 80 . 2 1 1 A 15 15 CYS H H 15 9.220 9.268 -0.048 1 1 81 . 2 1 1 A 15 15 CYS CA C 15 59.261 57.901 1.360 1 1 82 . 2 1 1 A 15 15 CYS HA H 15 4.564 4.694 -0.130 1 1 83 . 2 1 1 A 15 15 CYS CB C 15 29.450 27.493 1.957 1 1 86 . 2 1 1 A 15 15 CYS C C 15 177.227 175.487 1.740 1 1 87 . 2 1 1 A 16 16 ARG N N 16 114.338 127.854 -13.516 1 1 88 . 2 1 1 A 16 16 ARG H H 16 9.348 8.549 0.799 1 1 89 . 2 1 1 A 16 16 ARG CA C 16 58.121 58.596 -0.475 1 1 90 . 2 1 1 A 16 16 ARG HA H 16 4.164 3.956 0.208 1 1 91 . 2 1 1 A 16 16 ARG CB C 16 29.789 30.175 -0.386 1 1 99 . 2 1 1 A 16 16 ARG C C 16 176.716 177.723 -1.007 1 1 100 . 2 1 1 A 17 17 GLU N N 17 119.673 117.761 1.912 1 1 101 . 2 1 1 A 17 17 GLU H H 17 8.516 8.026 0.490 1 1 102 . 2 1 1 A 17 17 GLU CA C 17 58.332 58.931 -0.599 1 1 103 . 2 1 1 A 17 17 GLU HA H 17 4.146 3.917 0.229 1 1 104 . 2 1 1 A 17 17 GLU CB C 17 29.305 29.297 0.008 1 1 110 . 2 1 1 A 17 17 GLU C C 17 177.290 177.983 -0.693 1 1 111 . 2 1 1 A 18 18 CYS N N 18 114.190 114.930 -0.740 1 1 112 . 2 1 1 A 18 18 CYS H H 18 7.848 7.969 -0.121 1 1 113 . 2 1 1 A 18 18 CYS CA C 18 58.352 59.564 -1.212 1 1 114 . 2 1 1 A 18 18 CYS HA H 18 5.141 4.690 0.451 1 1 115 . 2 1 1 A 18 18 CYS CB C 18 32.546 29.995 2.551 1 1 118 . 2 1 1 A 18 18 CYS C C 18 176.195 175.494 0.701 1 1 119 . 2 1 1 A 19 19 GLY N N 19 113.563 109.870 3.693 1 1 120 . 2 1 1 A 19 19 GLY H H 19 8.233 8.015 0.218 1 1 121 . 2 1 1 A 19 19 GLY CA C 19 46.147 44.923 1.224 1 1 122 . 2 1 1 A 19 19 GLY HA2 H 19 3.839 4.097 -0.258 1 1 123 . 2 1 1 A 19 19 GLY HA3 H 19 4.195 4.106 0.089 1 1 124 . 2 1 1 A 19 19 GLY C C 19 173.979 174.510 -0.531 1 1 125 . 2 1 1 A 20 20 LYS N N 20 122.714 120.793 1.921 1 1 126 . 2 1 1 A 20 20 LYS H H 20 7.906 7.300 0.606 1 1 127 . 2 1 1 A 20 20 LYS CA C 20 57.773 56.035 1.738 1 1 128 . 2 1 1 A 20 20 LYS HA H 20 4.016 4.289 -0.273 1 1 129 . 2 1 1 A 20 20 LYS CB C 20 33.694 34.183 -0.489 1 1 141 . 2 1 1 A 20 20 LYS C C 20 174.181 175.448 -1.267 1 1 142 . 2 1 1 A 21 21 SER N N 21 114.889 112.368 2.521 1 1 143 . 2 1 1 A 21 21 SER H H 21 7.770 8.330 -0.560 1 1 144 . 2 1 1 A 21 21 SER CA C 21 56.643 56.825 -0.182 1 1 145 . 2 1 1 A 21 21 SER HA H 21 5.178 5.619 -0.441 1 1 146 . 2 1 1 A 21 21 SER CB C 21 65.863 65.913 -0.050 1 1 149 . 2 1 1 A 21 21 SER C C 21 173.075 172.723 0.352 1 1 150 . 2 1 1 A 22 22 PHE N N 22 118.070 121.129 -3.059 1 1 151 . 2 1 1 A 22 22 PHE H H 22 8.425 9.477 -1.052 1 1 152 . 2 1 1 A 22 22 PHE CA C 22 57.274 56.633 0.641 1 1 153 . 2 1 1 A 22 22 PHE HA H 22 4.717 5.024 -0.307 1 1 154 . 2 1 1 A 22 22 PHE CB C 22 43.580 41.807 1.773 1 1 167 . 2 1 1 A 22 22 PHE C C 22 175.562 176.169 -0.607 1 1 168 . 2 1 1 A 23 23 SER N N 23 117.719 119.391 -1.672 1 1 169 . 2 1 1 A 23 23 SER H H 23 8.890 8.944 -0.054 1 1 170 . 2 1 1 A 23 23 SER CA C 23 61.814 61.543 0.271 1 1 171 . 2 1 1 A 23 23 SER HA H 23 4.259 4.330 -0.071 1 1 172 . 2 1 1 A 23 23 SER CB C 23 63.470 63.222 0.248 1 1 175 . 2 1 1 A 23 23 SER C C 23 173.419 174.873 -1.454 1 1 176 . 2 1 1 A 24 24 PHE N N 24 114.646 120.499 -5.853 1 1 177 . 2 1 1 A 24 24 PHE H H 24 7.747 8.379 -0.632 1 1 178 . 2 1 1 A 24 24 PHE CA C 24 55.800 56.922 -1.122 1 1 179 . 2 1 1 A 24 24 PHE HA H 24 4.891 5.123 -0.232 1 1 180 . 2 1 1 A 24 24 PHE CB C 24 42.497 41.959 0.538 1 1 193 . 2 1 1 A 24 24 PHE C C 24 176.175 175.831 0.344 1 1 194 . 2 1 1 A 25 25 ASN CA C 25 56.980 55.681 1.299 1 1 195 . 2 1 1 A 25 25 ASN HA H 25 3.746 3.550 0.196 1 1 196 . 2 1 1 A 25 25 ASN CB C 25 38.999 38.295 0.704 1 1 202 . 2 1 1 A 26 26 SER CA C 26 61.136 61.836 -0.700 1 1 203 . 2 1 1 A 26 26 SER HA H 26 3.884 4.198 -0.314 1 1 204 . 2 1 1 A 26 26 SER CB C 26 61.259 63.053 -1.794 1 1 207 . 2 1 1 A 26 26 SER C C 26 176.598 176.957 -0.359 1 1 208 . 2 1 1 A 27 27 GLN N N 27 119.387 121.827 -2.440 1 1 209 . 2 1 1 A 27 27 GLN H H 27 6.763 7.949 -1.186 1 1 210 . 2 1 1 A 27 27 GLN CA C 27 57.426 58.676 -1.250 1 1 211 . 2 1 1 A 27 27 GLN HA H 27 3.946 3.941 0.005 1 1 212 . 2 1 1 A 27 27 GLN CB C 27 28.943 28.586 0.357 1 1 221 . 2 1 1 A 27 27 GLN C C 27 178.638 177.744 0.894 1 1 222 . 2 1 1 A 28 28 LEU N N 28 122.438 120.937 1.501 1 1 223 . 2 1 1 A 28 28 LEU H H 28 6.991 7.371 -0.380 1 1 224 . 2 1 1 A 28 28 LEU CA C 28 57.746 56.990 0.756 1 1 225 . 2 1 1 A 28 28 LEU HA H 28 3.313 2.382 0.931 1 1 226 . 2 1 1 A 28 28 LEU CB C 28 40.505 41.683 -1.178 1 1 239 . 2 1 1 A 28 28 LEU C C 28 177.395 178.393 -0.998 1 1 240 . 2 1 1 A 29 29 ILE N N 29 118.379 118.896 -0.517 1 1 241 . 2 1 1 A 29 29 ILE H H 29 7.976 7.783 0.193 1 1 242 . 2 1 1 A 29 29 ILE CA C 29 64.459 64.850 -0.391 1 1 243 . 2 1 1 A 29 29 ILE HA H 29 3.726 3.596 0.130 1 1 244 . 2 1 1 A 29 29 ILE CB C 29 37.373 37.665 -0.292 1 1 257 . 2 1 1 A 29 29 ILE C C 29 178.970 178.025 0.945 1 1 258 . 2 1 1 A 30 30 VAL N N 30 118.496 120.383 -1.887 1 1 259 . 2 1 1 A 30 30 VAL H H 30 7.047 7.967 -0.920 1 1 260 . 2 1 1 A 30 30 VAL CA C 30 66.457 66.412 0.045 1 1 261 . 2 1 1 A 30 30 VAL HA H 30 3.491 3.543 -0.052 1 1 262 . 2 1 1 A 30 30 VAL CB C 30 32.038 31.409 0.629 1 1 272 . 2 1 1 A 30 30 VAL C C 30 178.763 178.097 0.666 1 1 273 . 2 1 1 A 31 31 HIS N N 31 119.928 119.945 -0.017 1 1 274 . 2 1 1 A 31 31 HIS H H 31 7.577 7.687 -0.110 1 1 275 . 2 1 1 A 31 31 HIS CA C 31 59.301 59.434 -0.133 1 1 276 . 2 1 1 A 31 31 HIS HA H 31 4.113 4.214 -0.101 1 1 277 . 2 1 1 A 31 31 HIS CB C 31 28.544 29.987 -1.443 1 1 284 . 2 1 1 A 31 31 HIS C C 31 176.226 177.384 -1.158 1 1 285 . 2 1 1 A 32 32 GLN N N 32 114.793 118.237 -3.444 1 1 286 . 2 1 1 A 32 32 GLN H H 32 8.456 8.437 0.019 1 1 287 . 2 1 1 A 32 32 GLN CA C 32 59.269 58.945 0.324 1 1 288 . 2 1 1 A 32 32 GLN HA H 32 3.645 3.883 -0.238 1 1 289 . 2 1 1 A 32 32 GLN CB C 32 28.282 28.311 -0.029 1 1 298 . 2 1 1 A 32 32 GLN C C 32 177.376 178.410 -1.034 1 1 299 . 2 1 1 A 33 33 ARG N N 33 117.873 118.144 -0.271 1 1 300 . 2 1 1 A 33 33 ARG H H 33 7.186 7.779 -0.593 1 1 301 . 2 1 1 A 33 33 ARG CA C 33 58.401 58.149 0.252 1 1 302 . 2 1 1 A 33 33 ARG HA H 33 4.125 4.062 0.063 1 1 303 . 2 1 1 A 33 33 ARG CB C 33 30.016 30.012 0.004 1 1 312 . 2 1 1 A 33 33 ARG C C 33 178.684 177.703 0.981 1 1 313 . 2 1 1 A 34 34 ILE N N 34 116.164 115.317 0.847 1 1 314 . 2 1 1 A 34 34 ILE H H 34 7.837 7.809 0.028 1 1 315 . 2 1 1 A 34 34 ILE CA C 34 63.143 64.172 -1.029 1 1 316 . 2 1 1 A 34 34 ILE HA H 34 3.937 3.742 0.195 1 1 317 . 2 1 1 A 34 34 ILE CB C 34 37.689 37.320 0.369 1 1 330 . 2 1 1 A 34 34 ILE C C 34 177.369 178.092 -0.723 1 1 331 . 2 1 1 A 35 35 HIS N N 35 117.537 119.622 -2.085 1 1 332 . 2 1 1 A 35 35 HIS H H 35 7.184 7.629 -0.445 1 1 333 . 2 1 1 A 35 35 HIS CA C 35 55.178 59.372 -4.194 1 1 334 . 2 1 1 A 35 35 HIS HA H 35 4.842 4.314 0.528 1 1 335 . 2 1 1 A 35 35 HIS CB C 35 28.550 30.724 -2.174 1 1 342 . 2 1 1 A 35 35 HIS C C 35 175.800 176.620 -0.820 1 1 343 . 2 1 1 A 36 36 THR N N 36 111.364 111.521 -0.157 1 1 344 . 2 1 1 A 36 36 THR H H 36 7.747 7.652 0.095 1 1 345 . 2 1 1 A 36 36 THR CA C 36 62.359 61.951 0.408 1 1 346 . 2 1 1 A 36 36 THR HA H 36 4.337 4.240 0.097 1 1 347 . 2 1 1 A 36 36 THR CB C 36 69.835 68.022 1.813 1 1 353 . 2 1 1 A 36 36 THR C C 36 175.474 174.903 0.571 1 1 354 . 2 1 1 A 37 37 GLY N N 37 110.552 113.058 -2.506 1 1 355 . 2 1 1 A 37 37 GLY H H 37 8.181 8.070 0.111 1 1 356 . 2 1 1 A 37 37 GLY CA C 37 45.346 45.473 -0.127 1 1 357 . 2 1 1 A 37 37 GLY HA2 H 37 4.001 4.010 -0.009 1 1 358 . 2 1 1 A 37 37 GLY HA3 H 37 3.922 4.017 -0.095 1 1 359 . 2 1 1 A 37 37 GLY C C 37 174.041 174.137 -0.096 1 1 360 . 2 1 1 A 38 38 GLU N N 38 120.135 116.803 3.332 1 1 361 . 2 1 1 A 38 38 GLU H H 38 8.080 7.962 0.118 1 1 362 . 2 1 1 A 38 38 GLU CA C 38 56.450 55.417 1.033 1 1 363 . 2 1 1 A 38 38 GLU HA H 38 4.205 4.722 -0.517 1 1 364 . 2 1 1 A 38 38 GLU CB C 38 30.467 31.208 -0.741 1 1 370 . 2 1 1 A 38 38 GLU C C 38 175.932 174.842 1.090 1 1 371 . 2 1 1 A 39 39 ASN N N 39 120.503 124.555 -4.052 1 1 372 . 2 1 1 A 39 39 ASN H H 39 8.511 8.831 -0.320 1 1 373 . 2 1 1 A 39 39 ASN CA C 39 51.313 50.741 0.572 1 1 374 . 2 1 1 A 39 39 ASN HA H 39 4.931 5.365 -0.434 1 1 375 . 2 1 1 A 39 39 ASN CB C 39 38.883 39.294 -0.411 1 1 381 . 2 1 1 A 39 39 ASN C C 39 173.367 172.990 0.377 1 1 382 . 2 1 1 A 40 40 PRO CA C 40 63.564 62.853 0.711 1 1 383 . 2 1 1 A 40 40 PRO HA H 40 4.419 4.453 -0.034 1 1 384 . 2 1 1 A 40 40 PRO CB C 40 32.140 32.155 -0.015 1 1 391 . 2 1 1 A 40 40 PRO C C 40 177.061 177.072 -0.011 1 1 392 . 2 1 1 A 41 41 SER N N 41 115.581 118.409 -2.828 1 1 393 . 2 1 1 A 41 41 SER H H 41 8.354 8.614 -0.260 1 1 394 . 2 1 1 A 41 41 SER CA C 41 58.463 60.102 -1.639 1 1 395 . 2 1 1 A 41 41 SER HA H 41 4.442 4.130 0.312 1 1 396 . 2 1 1 A 41 41 SER CB C 41 63.856 62.841 1.015 1 1 399 . 2 1 1 A 41 41 SER C C 41 174.582 175.254 -0.672 1 1 400 . 2 1 1 A 42 42 GLY N N 42 110.438 115.557 -5.119 1 1 401 . 2 1 1 A 42 42 GLY H H 42 8.097 8.881 -0.784 1 1 402 . 2 1 1 A 42 42 GLY CA C 42 44.649 45.566 -0.917 1 1 403 . 2 1 1 A 42 42 GLY HA2 H 42 4.121 3.953 0.168 1 1 404 . 2 1 1 A 42 42 GLY HA3 H 42 4.072 3.956 0.116 1 1 405 . 2 1 1 A 42 42 GLY C C 42 171.675 174.833 -3.158 1 1 406 . 2 1 1 A 43 43 PRO CA C 43 63.436 63.656 -0.220 1 1 407 . 2 1 1 A 43 43 PRO HA H 43 4.421 4.541 -0.120 1 1 408 . 2 1 1 A 43 43 PRO CB C 43 32.168 31.930 0.238 1 1 417 . 2 1 1 A 43 43 PRO C C 43 177.358 176.323 1.035 1 1 418 . 2 1 1 A 44 44 SER N N 44 116.459 116.589 -0.130 1 1 419 . 2 1 1 A 44 44 SER H H 44 8.513 7.814 0.699 1 1 420 . 2 1 1 A 44 44 SER CA C 44 58.367 60.666 -2.299 1 1 421 . 2 1 1 A 44 44 SER HA H 44 4.465 4.360 0.105 1 1 422 . 2 1 1 A 44 44 SER CB C 44 63.692 63.707 -0.015 1 1 425 . 2 1 1 A 44 44 SER C C 44 174.649 174.029 0.620 1 1 426 . 2 1 1 A 45 45 SER N N 45 117.890 123.942 -6.052 1 1 427 . 2 1 1 A 45 45 SER H H 45 8.318 8.818 -0.500 1 1 1 . 3 1 1 A 8 8 THR CA C 8 61.809 60.789 1.020 1 1 2 . 3 1 1 A 8 8 THR HA H 8 4.339 4.566 -0.227 1 1 3 . 3 1 1 A 8 8 THR CB C 8 69.833 71.286 -1.453 1 1 9 . 3 1 1 A 8 8 THR C C 8 175.270 173.410 1.860 1 1 10 . 3 1 1 A 9 9 GLY N N 9 111.063 114.467 -3.404 1 1 11 . 3 1 1 A 9 9 GLY H H 9 8.444 8.581 -0.137 1 1 12 . 3 1 1 A 9 9 GLY CA C 9 45.198 45.744 -0.546 1 1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.925 4.089 -0.164 1 1 14 . 3 1 1 A 9 9 GLY HA3 H 9 3.888 4.094 -0.206 1 1 15 . 3 1 1 A 9 9 GLY C C 9 174.015 174.391 -0.376 1 1 16 . 3 1 1 A 10 10 GLU N N 10 120.294 121.046 -0.752 1 1 17 . 3 1 1 A 10 10 GLU H H 10 8.193 8.247 -0.054 1 1 18 . 3 1 1 A 10 10 GLU CA C 10 56.635 55.301 1.334 1 1 19 . 3 1 1 A 10 10 GLU HA H 10 4.170 4.678 -0.508 1 1 20 . 3 1 1 A 10 10 GLU CB C 10 30.501 31.788 -1.287 1 1 26 . 3 1 1 A 10 10 GLU C C 10 176.395 176.044 0.351 1 1 27 . 3 1 1 A 11 11 LYS N N 11 122.626 125.213 -2.587 1 1 28 . 3 1 1 A 11 11 LYS H H 11 8.329 8.909 -0.580 1 1 29 . 3 1 1 A 11 11 LYS CA C 11 53.922 53.751 0.171 1 1 30 . 3 1 1 A 11 11 LYS HA H 11 4.446 4.655 -0.209 1 1 31 . 3 1 1 A 11 11 LYS CB C 11 32.479 31.971 0.508 1 1 43 . 3 1 1 A 11 11 LYS C C 11 174.018 176.358 -2.340 1 1 44 . 3 1 1 A 12 12 PRO CA C 12 63.321 63.868 -0.547 1 1 45 . 3 1 1 A 12 12 PRO HA H 12 4.283 4.297 -0.014 1 1 46 . 3 1 1 A 12 12 PRO CB C 12 32.313 31.134 1.179 1 1 55 . 3 1 1 A 12 12 PRO C C 12 176.149 175.902 0.247 1 1 56 . 3 1 1 A 13 13 HIS N N 13 119.256 117.004 2.252 1 1 57 . 3 1 1 A 13 13 HIS H H 13 8.026 7.430 0.596 1 1 58 . 3 1 1 A 13 13 HIS CA C 13 55.275 54.901 0.374 1 1 59 . 3 1 1 A 13 13 HIS HA H 13 4.602 5.082 -0.480 1 1 60 . 3 1 1 A 13 13 HIS CB C 13 30.264 32.069 -1.805 1 1 67 . 3 1 1 A 13 13 HIS C C 13 174.072 173.631 0.441 1 1 68 . 3 1 1 A 14 14 GLU N N 14 124.697 125.619 -0.922 1 1 69 . 3 1 1 A 14 14 GLU H H 14 8.462 9.270 -0.808 1 1 70 . 3 1 1 A 14 14 GLU CA C 14 55.194 54.920 0.274 1 1 71 . 3 1 1 A 14 14 GLU HA H 14 4.702 5.289 -0.587 1 1 72 . 3 1 1 A 14 14 GLU CB C 14 32.794 32.920 -0.126 1 1 78 . 3 1 1 A 14 14 GLU C C 14 175.024 175.442 -0.418 1 1 79 . 3 1 1 A 15 15 CYS N N 15 126.805 124.715 2.090 1 1 80 . 3 1 1 A 15 15 CYS H H 15 9.220 9.326 -0.106 1 1 81 . 3 1 1 A 15 15 CYS CA C 15 59.261 58.155 1.106 1 1 82 . 3 1 1 A 15 15 CYS HA H 15 4.564 4.653 -0.089 1 1 83 . 3 1 1 A 15 15 CYS CB C 15 29.450 27.366 2.084 1 1 86 . 3 1 1 A 15 15 CYS C C 15 177.227 175.183 2.044 1 1 87 . 3 1 1 A 16 16 ARG N N 16 114.338 127.462 -13.124 1 1 88 . 3 1 1 A 16 16 ARG H H 16 9.348 8.154 1.194 1 1 89 . 3 1 1 A 16 16 ARG CA C 16 58.121 59.299 -1.178 1 1 90 . 3 1 1 A 16 16 ARG HA H 16 4.164 4.074 0.090 1 1 91 . 3 1 1 A 16 16 ARG CB C 16 29.789 29.957 -0.168 1 1 99 . 3 1 1 A 16 16 ARG C C 16 176.716 178.104 -1.388 1 1 100 . 3 1 1 A 17 17 GLU N N 17 119.673 118.258 1.415 1 1 101 . 3 1 1 A 17 17 GLU H H 17 8.516 8.059 0.457 1 1 102 . 3 1 1 A 17 17 GLU CA C 17 58.332 58.703 -0.371 1 1 103 . 3 1 1 A 17 17 GLU HA H 17 4.146 3.929 0.217 1 1 104 . 3 1 1 A 17 17 GLU CB C 17 29.305 29.098 0.207 1 1 110 . 3 1 1 A 17 17 GLU C C 17 177.290 177.974 -0.684 1 1 111 . 3 1 1 A 18 18 CYS N N 18 114.190 114.735 -0.545 1 1 112 . 3 1 1 A 18 18 CYS H H 18 7.848 7.611 0.237 1 1 113 . 3 1 1 A 18 18 CYS CA C 18 58.352 59.517 -1.165 1 1 114 . 3 1 1 A 18 18 CYS HA H 18 5.141 4.702 0.439 1 1 115 . 3 1 1 A 18 18 CYS CB C 18 32.546 30.083 2.463 1 1 118 . 3 1 1 A 18 18 CYS C C 18 176.195 175.405 0.790 1 1 119 . 3 1 1 A 19 19 GLY N N 19 113.563 109.849 3.714 1 1 120 . 3 1 1 A 19 19 GLY H H 19 8.233 8.316 -0.083 1 1 121 . 3 1 1 A 19 19 GLY CA C 19 46.147 45.147 1.000 1 1 122 . 3 1 1 A 19 19 GLY HA2 H 19 3.839 4.052 -0.213 1 1 123 . 3 1 1 A 19 19 GLY HA3 H 19 4.195 4.061 0.134 1 1 124 . 3 1 1 A 19 19 GLY C C 19 173.979 174.653 -0.674 1 1 125 . 3 1 1 A 20 20 LYS N N 20 122.714 121.504 1.210 1 1 126 . 3 1 1 A 20 20 LYS H H 20 7.906 7.588 0.318 1 1 127 . 3 1 1 A 20 20 LYS CA C 20 57.773 56.705 1.068 1 1 128 . 3 1 1 A 20 20 LYS HA H 20 4.016 4.147 -0.131 1 1 129 . 3 1 1 A 20 20 LYS CB C 20 33.694 33.420 0.274 1 1 141 . 3 1 1 A 20 20 LYS C C 20 174.181 175.494 -1.313 1 1 142 . 3 1 1 A 21 21 SER N N 21 114.889 112.640 2.249 1 1 143 . 3 1 1 A 21 21 SER H H 21 7.770 8.146 -0.376 1 1 144 . 3 1 1 A 21 21 SER CA C 21 56.643 56.680 -0.037 1 1 145 . 3 1 1 A 21 21 SER HA H 21 5.178 5.396 -0.218 1 1 146 . 3 1 1 A 21 21 SER CB C 21 65.863 65.859 0.004 1 1 149 . 3 1 1 A 21 21 SER C C 21 173.075 172.853 0.222 1 1 150 . 3 1 1 A 22 22 PHE N N 22 118.070 121.124 -3.054 1 1 151 . 3 1 1 A 22 22 PHE H H 22 8.425 9.444 -1.019 1 1 152 . 3 1 1 A 22 22 PHE CA C 22 57.274 56.437 0.837 1 1 153 . 3 1 1 A 22 22 PHE HA H 22 4.717 5.045 -0.328 1 1 154 . 3 1 1 A 22 22 PHE CB C 22 43.580 41.912 1.668 1 1 167 . 3 1 1 A 22 22 PHE C C 22 175.562 175.998 -0.436 1 1 168 . 3 1 1 A 23 23 SER N N 23 117.719 120.121 -2.402 1 1 169 . 3 1 1 A 23 23 SER H H 23 8.890 8.981 -0.091 1 1 170 . 3 1 1 A 23 23 SER CA C 23 61.814 60.496 1.318 1 1 171 . 3 1 1 A 23 23 SER HA H 23 4.259 4.482 -0.223 1 1 172 . 3 1 1 A 23 23 SER CB C 23 63.470 63.510 -0.040 1 1 175 . 3 1 1 A 23 23 SER C C 23 173.419 174.007 -0.588 1 1 176 . 3 1 1 A 24 24 PHE N N 24 114.646 118.553 -3.907 1 1 177 . 3 1 1 A 24 24 PHE H H 24 7.747 8.370 -0.623 1 1 178 . 3 1 1 A 24 24 PHE CA C 24 55.800 56.240 -0.440 1 1 179 . 3 1 1 A 24 24 PHE HA H 24 4.891 5.274 -0.383 1 1 180 . 3 1 1 A 24 24 PHE CB C 24 42.497 42.276 0.221 1 1 193 . 3 1 1 A 24 24 PHE C C 24 176.175 175.514 0.661 1 1 194 . 3 1 1 A 25 25 ASN CA C 25 56.980 55.850 1.130 1 1 195 . 3 1 1 A 25 25 ASN HA H 25 3.746 3.593 0.153 1 1 196 . 3 1 1 A 25 25 ASN CB C 25 38.999 38.201 0.798 1 1 202 . 3 1 1 A 26 26 SER CA C 26 61.136 61.828 -0.692 1 1 203 . 3 1 1 A 26 26 SER HA H 26 3.884 4.193 -0.309 1 1 204 . 3 1 1 A 26 26 SER CB C 26 61.259 63.046 -1.787 1 1 207 . 3 1 1 A 26 26 SER C C 26 176.598 176.934 -0.336 1 1 208 . 3 1 1 A 27 27 GLN N N 27 119.387 121.847 -2.460 1 1 209 . 3 1 1 A 27 27 GLN H H 27 6.763 7.969 -1.206 1 1 210 . 3 1 1 A 27 27 GLN CA C 27 57.426 58.619 -1.193 1 1 211 . 3 1 1 A 27 27 GLN HA H 27 3.946 3.913 0.033 1 1 212 . 3 1 1 A 27 27 GLN CB C 27 28.943 28.496 0.447 1 1 221 . 3 1 1 A 27 27 GLN C C 27 178.638 177.717 0.921 1 1 222 . 3 1 1 A 28 28 LEU N N 28 122.438 120.851 1.587 1 1 223 . 3 1 1 A 28 28 LEU H H 28 6.991 7.370 -0.379 1 1 224 . 3 1 1 A 28 28 LEU CA C 28 57.746 57.081 0.665 1 1 225 . 3 1 1 A 28 28 LEU HA H 28 3.313 2.663 0.650 1 1 226 . 3 1 1 A 28 28 LEU CB C 28 40.505 41.828 -1.323 1 1 239 . 3 1 1 A 28 28 LEU C C 28 177.395 178.197 -0.802 1 1 240 . 3 1 1 A 29 29 ILE N N 29 118.379 118.945 -0.566 1 1 241 . 3 1 1 A 29 29 ILE H H 29 7.976 7.715 0.261 1 1 242 . 3 1 1 A 29 29 ILE CA C 29 64.459 64.871 -0.412 1 1 243 . 3 1 1 A 29 29 ILE HA H 29 3.726 3.620 0.106 1 1 244 . 3 1 1 A 29 29 ILE CB C 29 37.373 37.686 -0.313 1 1 257 . 3 1 1 A 29 29 ILE C C 29 178.970 178.100 0.870 1 1 258 . 3 1 1 A 30 30 VAL N N 30 118.496 120.490 -1.994 1 1 259 . 3 1 1 A 30 30 VAL H H 30 7.047 7.953 -0.906 1 1 260 . 3 1 1 A 30 30 VAL CA C 30 66.457 66.132 0.325 1 1 261 . 3 1 1 A 30 30 VAL HA H 30 3.491 3.564 -0.073 1 1 262 . 3 1 1 A 30 30 VAL CB C 30 32.038 31.263 0.775 1 1 272 . 3 1 1 A 30 30 VAL C C 30 178.763 178.104 0.659 1 1 273 . 3 1 1 A 31 31 HIS N N 31 119.928 119.943 -0.015 1 1 274 . 3 1 1 A 31 31 HIS H H 31 7.577 7.763 -0.186 1 1 275 . 3 1 1 A 31 31 HIS CA C 31 59.301 59.277 0.024 1 1 276 . 3 1 1 A 31 31 HIS HA H 31 4.113 4.194 -0.081 1 1 277 . 3 1 1 A 31 31 HIS CB C 31 28.544 29.923 -1.379 1 1 284 . 3 1 1 A 31 31 HIS C C 31 176.226 177.352 -1.126 1 1 285 . 3 1 1 A 32 32 GLN N N 32 114.793 118.226 -3.433 1 1 286 . 3 1 1 A 32 32 GLN H H 32 8.456 8.587 -0.131 1 1 287 . 3 1 1 A 32 32 GLN CA C 32 59.269 58.949 0.320 1 1 288 . 3 1 1 A 32 32 GLN HA H 32 3.645 3.888 -0.243 1 1 289 . 3 1 1 A 32 32 GLN CB C 32 28.282 28.313 -0.031 1 1 298 . 3 1 1 A 32 32 GLN C C 32 177.376 178.411 -1.035 1 1 299 . 3 1 1 A 33 33 ARG N N 33 117.873 118.145 -0.272 1 1 300 . 3 1 1 A 33 33 ARG H H 33 7.186 7.785 -0.599 1 1 301 . 3 1 1 A 33 33 ARG CA C 33 58.401 58.218 0.183 1 1 302 . 3 1 1 A 33 33 ARG HA H 33 4.125 4.047 0.078 1 1 303 . 3 1 1 A 33 33 ARG CB C 33 30.016 30.013 0.003 1 1 312 . 3 1 1 A 33 33 ARG C C 33 178.684 177.696 0.988 1 1 313 . 3 1 1 A 34 34 ILE N N 34 116.164 115.325 0.839 1 1 314 . 3 1 1 A 34 34 ILE H H 34 7.837 7.784 0.053 1 1 315 . 3 1 1 A 34 34 ILE CA C 34 63.143 64.180 -1.037 1 1 316 . 3 1 1 A 34 34 ILE HA H 34 3.937 3.767 0.170 1 1 317 . 3 1 1 A 34 34 ILE CB C 34 37.689 37.401 0.288 1 1 330 . 3 1 1 A 34 34 ILE C C 34 177.369 178.082 -0.713 1 1 331 . 3 1 1 A 35 35 HIS N N 35 117.537 120.930 -3.393 1 1 332 . 3 1 1 A 35 35 HIS H H 35 7.184 7.752 -0.568 1 1 333 . 3 1 1 A 35 35 HIS CA C 35 55.178 59.945 -4.767 1 1 334 . 3 1 1 A 35 35 HIS HA H 35 4.842 4.330 0.512 1 1 335 . 3 1 1 A 35 35 HIS CB C 35 28.550 30.046 -1.496 1 1 342 . 3 1 1 A 35 35 HIS C C 35 175.800 177.987 -2.187 1 1 343 . 3 1 1 A 36 36 THR N N 36 111.364 114.126 -2.762 1 1 344 . 3 1 1 A 36 36 THR H H 36 7.747 7.645 0.102 1 1 345 . 3 1 1 A 36 36 THR CA C 36 62.359 65.506 -3.147 1 1 346 . 3 1 1 A 36 36 THR HA H 36 4.337 3.948 0.389 1 1 347 . 3 1 1 A 36 36 THR CB C 36 69.835 68.511 1.324 1 1 353 . 3 1 1 A 36 36 THR C C 36 175.474 176.770 -1.296 1 1 354 . 3 1 1 A 37 37 GLY N N 37 110.552 108.471 2.081 1 1 355 . 3 1 1 A 37 37 GLY H H 37 8.181 8.332 -0.151 1 1 356 . 3 1 1 A 37 37 GLY CA C 37 45.346 47.304 -1.958 1 1 357 . 3 1 1 A 37 37 GLY HA2 H 37 4.001 3.653 0.348 1 1 358 . 3 1 1 A 37 37 GLY HA3 H 37 3.922 3.664 0.258 1 1 359 . 3 1 1 A 37 37 GLY C C 37 174.041 174.670 -0.629 1 1 360 . 3 1 1 A 38 38 GLU N N 38 120.135 117.023 3.112 1 1 361 . 3 1 1 A 38 38 GLU H H 38 8.080 7.800 0.280 1 1 362 . 3 1 1 A 38 38 GLU CA C 38 56.450 54.992 1.458 1 1 363 . 3 1 1 A 38 38 GLU HA H 38 4.205 4.404 -0.199 1 1 364 . 3 1 1 A 38 38 GLU CB C 38 30.467 30.514 -0.047 1 1 370 . 3 1 1 A 38 38 GLU C C 38 175.932 176.394 -0.462 1 1 371 . 3 1 1 A 39 39 ASN N N 39 120.503 119.078 1.425 1 1 372 . 3 1 1 A 39 39 ASN H H 39 8.511 8.520 -0.009 1 1 373 . 3 1 1 A 39 39 ASN CA C 39 51.313 52.154 -0.841 1 1 374 . 3 1 1 A 39 39 ASN HA H 39 4.931 4.617 0.314 1 1 375 . 3 1 1 A 39 39 ASN CB C 39 38.883 37.995 0.888 1 1 381 . 3 1 1 A 39 39 ASN C C 39 173.367 173.668 -0.301 1 1 382 . 3 1 1 A 40 40 PRO CA C 40 63.564 62.346 1.218 1 1 383 . 3 1 1 A 40 40 PRO HA H 40 4.419 4.612 -0.193 1 1 384 . 3 1 1 A 40 40 PRO CB C 40 32.140 33.355 -1.215 1 1 391 . 3 1 1 A 40 40 PRO C C 40 177.061 176.060 1.001 1 1 392 . 3 1 1 A 41 41 SER N N 41 115.581 112.764 2.817 1 1 393 . 3 1 1 A 41 41 SER H H 41 8.354 8.371 -0.017 1 1 394 . 3 1 1 A 41 41 SER CA C 41 58.463 57.683 0.780 1 1 395 . 3 1 1 A 41 41 SER HA H 41 4.442 4.433 0.009 1 1 396 . 3 1 1 A 41 41 SER CB C 41 63.856 62.802 1.054 1 1 399 . 3 1 1 A 41 41 SER C C 41 174.582 174.492 0.090 1 1 400 . 3 1 1 A 42 42 GLY N N 42 110.438 110.891 -0.453 1 1 401 . 3 1 1 A 42 42 GLY H H 42 8.097 8.325 -0.228 1 1 402 . 3 1 1 A 42 42 GLY CA C 42 44.649 46.661 -2.012 1 1 403 . 3 1 1 A 42 42 GLY HA2 H 42 4.121 3.848 0.273 1 1 404 . 3 1 1 A 42 42 GLY HA3 H 42 4.072 3.848 0.224 1 1 405 . 3 1 1 A 42 42 GLY C C 42 171.675 175.065 -3.390 1 1 406 . 3 1 1 A 43 43 PRO CA C 43 63.436 64.317 -0.881 1 1 407 . 3 1 1 A 43 43 PRO HA H 43 4.421 4.387 0.034 1 1 408 . 3 1 1 A 43 43 PRO CB C 43 32.168 31.590 0.578 1 1 417 . 3 1 1 A 43 43 PRO C C 43 177.358 178.401 -1.043 1 1 418 . 3 1 1 A 44 44 SER N N 44 116.459 113.342 3.117 1 1 419 . 3 1 1 A 44 44 SER H H 44 8.513 8.103 0.410 1 1 420 . 3 1 1 A 44 44 SER CA C 44 58.367 60.996 -2.629 1 1 421 . 3 1 1 A 44 44 SER HA H 44 4.465 4.363 0.102 1 1 422 . 3 1 1 A 44 44 SER CB C 44 63.692 63.101 0.591 1 1 425 . 3 1 1 A 44 44 SER C C 44 174.649 174.847 -0.198 1 1 426 . 3 1 1 A 45 45 SER N N 45 117.890 117.168 0.722 1 1 427 . 3 1 1 A 45 45 SER H H 45 8.318 7.814 0.504 1 1 1 . 4 1 1 A 8 8 THR CA C 8 61.809 60.828 0.981 1 1 2 . 4 1 1 A 8 8 THR HA H 8 4.339 4.736 -0.397 1 1 3 . 4 1 1 A 8 8 THR CB C 8 69.833 71.931 -2.098 1 1 9 . 4 1 1 A 8 8 THR C C 8 175.270 175.041 0.229 1 1 10 . 4 1 1 A 9 9 GLY N N 9 111.063 112.724 -1.661 1 1 11 . 4 1 1 A 9 9 GLY H H 9 8.444 8.590 -0.146 1 1 12 . 4 1 1 A 9 9 GLY CA C 9 45.198 44.422 0.776 1 1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.925 4.022 -0.097 1 1 14 . 4 1 1 A 9 9 GLY HA3 H 9 3.888 4.022 -0.134 1 1 15 . 4 1 1 A 9 9 GLY C C 9 174.015 172.815 1.200 1 1 16 . 4 1 1 A 10 10 GLU N N 10 120.294 118.971 1.323 1 1 17 . 4 1 1 A 10 10 GLU H H 10 8.193 8.885 -0.692 1 1 18 . 4 1 1 A 10 10 GLU CA C 10 56.635 54.502 2.133 1 1 19 . 4 1 1 A 10 10 GLU HA H 10 4.170 5.133 -0.963 1 1 20 . 4 1 1 A 10 10 GLU CB C 10 30.501 33.518 -3.017 1 1 26 . 4 1 1 A 10 10 GLU C C 10 176.395 174.998 1.397 1 1 27 . 4 1 1 A 11 11 LYS N N 11 122.626 122.326 0.300 1 1 28 . 4 1 1 A 11 11 LYS H H 11 8.329 8.642 -0.313 1 1 29 . 4 1 1 A 11 11 LYS CA C 11 53.922 54.201 -0.279 1 1 30 . 4 1 1 A 11 11 LYS HA H 11 4.446 4.507 -0.061 1 1 31 . 4 1 1 A 11 11 LYS CB C 11 32.479 31.586 0.893 1 1 43 . 4 1 1 A 11 11 LYS C C 11 174.018 176.450 -2.432 1 1 44 . 4 1 1 A 12 12 PRO CA C 12 63.321 63.873 -0.552 1 1 45 . 4 1 1 A 12 12 PRO HA H 12 4.283 4.298 -0.015 1 1 46 . 4 1 1 A 12 12 PRO CB C 12 32.313 31.134 1.179 1 1 55 . 4 1 1 A 12 12 PRO C C 12 176.149 175.857 0.292 1 1 56 . 4 1 1 A 13 13 HIS N N 13 119.256 117.028 2.228 1 1 57 . 4 1 1 A 13 13 HIS H H 13 8.026 7.427 0.599 1 1 58 . 4 1 1 A 13 13 HIS CA C 13 55.275 54.845 0.430 1 1 59 . 4 1 1 A 13 13 HIS HA H 13 4.602 5.078 -0.476 1 1 60 . 4 1 1 A 13 13 HIS CB C 13 30.264 32.041 -1.777 1 1 67 . 4 1 1 A 13 13 HIS C C 13 174.072 173.564 0.508 1 1 68 . 4 1 1 A 14 14 GLU N N 14 124.697 125.401 -0.704 1 1 69 . 4 1 1 A 14 14 GLU H H 14 8.462 9.302 -0.840 1 1 70 . 4 1 1 A 14 14 GLU CA C 14 55.194 54.584 0.610 1 1 71 . 4 1 1 A 14 14 GLU HA H 14 4.702 5.206 -0.504 1 1 72 . 4 1 1 A 14 14 GLU CB C 14 32.794 33.163 -0.369 1 1 78 . 4 1 1 A 14 14 GLU C C 14 175.024 175.749 -0.725 1 1 79 . 4 1 1 A 15 15 CYS N N 15 126.805 125.421 1.384 1 1 80 . 4 1 1 A 15 15 CYS H H 15 9.220 9.303 -0.083 1 1 81 . 4 1 1 A 15 15 CYS CA C 15 59.261 58.412 0.849 1 1 82 . 4 1 1 A 15 15 CYS HA H 15 4.564 4.673 -0.109 1 1 83 . 4 1 1 A 15 15 CYS CB C 15 29.450 28.397 1.053 1 1 86 . 4 1 1 A 15 15 CYS C C 15 177.227 176.380 0.847 1 1 87 . 4 1 1 A 16 16 ARG N N 16 114.338 128.088 -13.750 1 1 88 . 4 1 1 A 16 16 ARG H H 16 9.348 8.984 0.364 1 1 89 . 4 1 1 A 16 16 ARG CA C 16 58.121 58.338 -0.217 1 1 90 . 4 1 1 A 16 16 ARG HA H 16 4.164 4.226 -0.062 1 1 91 . 4 1 1 A 16 16 ARG CB C 16 29.789 30.219 -0.430 1 1 99 . 4 1 1 A 16 16 ARG C C 16 176.716 178.135 -1.419 1 1 100 . 4 1 1 A 17 17 GLU N N 17 119.673 118.286 1.387 1 1 101 . 4 1 1 A 17 17 GLU H H 17 8.516 8.013 0.503 1 1 102 . 4 1 1 A 17 17 GLU CA C 17 58.332 58.742 -0.410 1 1 103 . 4 1 1 A 17 17 GLU HA H 17 4.146 3.922 0.224 1 1 104 . 4 1 1 A 17 17 GLU CB C 17 29.305 29.469 -0.164 1 1 110 . 4 1 1 A 17 17 GLU C C 17 177.290 177.877 -0.587 1 1 111 . 4 1 1 A 18 18 CYS N N 18 114.190 114.826 -0.636 1 1 112 . 4 1 1 A 18 18 CYS H H 18 7.848 7.947 -0.099 1 1 113 . 4 1 1 A 18 18 CYS CA C 18 58.352 59.627 -1.275 1 1 114 . 4 1 1 A 18 18 CYS HA H 18 5.141 4.711 0.430 1 1 115 . 4 1 1 A 18 18 CYS CB C 18 32.546 30.008 2.538 1 1 118 . 4 1 1 A 18 18 CYS C C 18 176.195 175.483 0.712 1 1 119 . 4 1 1 A 19 19 GLY N N 19 113.563 109.676 3.887 1 1 120 . 4 1 1 A 19 19 GLY H H 19 8.233 7.727 0.506 1 1 121 . 4 1 1 A 19 19 GLY CA C 19 46.147 45.151 0.996 1 1 122 . 4 1 1 A 19 19 GLY HA2 H 19 3.839 4.053 -0.214 1 1 123 . 4 1 1 A 19 19 GLY HA3 H 19 4.195 4.062 0.133 1 1 124 . 4 1 1 A 19 19 GLY C C 19 173.979 174.743 -0.764 1 1 125 . 4 1 1 A 20 20 LYS N N 20 122.714 121.494 1.220 1 1 126 . 4 1 1 A 20 20 LYS H H 20 7.906 7.517 0.389 1 1 127 . 4 1 1 A 20 20 LYS CA C 20 57.773 56.573 1.200 1 1 128 . 4 1 1 A 20 20 LYS HA H 20 4.016 4.187 -0.171 1 1 129 . 4 1 1 A 20 20 LYS CB C 20 33.694 33.810 -0.116 1 1 141 . 4 1 1 A 20 20 LYS C C 20 174.181 175.003 -0.822 1 1 142 . 4 1 1 A 21 21 SER N N 21 114.889 115.089 -0.200 1 1 143 . 4 1 1 A 21 21 SER H H 21 7.770 8.307 -0.537 1 1 144 . 4 1 1 A 21 21 SER CA C 21 56.643 57.245 -0.602 1 1 145 . 4 1 1 A 21 21 SER HA H 21 5.178 5.179 -0.001 1 1 146 . 4 1 1 A 21 21 SER CB C 21 65.863 66.632 -0.769 1 1 149 . 4 1 1 A 21 21 SER C C 21 173.075 172.444 0.631 1 1 150 . 4 1 1 A 22 22 PHE N N 22 118.070 122.940 -4.870 1 1 151 . 4 1 1 A 22 22 PHE H H 22 8.425 9.455 -1.030 1 1 152 . 4 1 1 A 22 22 PHE CA C 22 57.274 56.776 0.498 1 1 153 . 4 1 1 A 22 22 PHE HA H 22 4.717 4.988 -0.271 1 1 154 . 4 1 1 A 22 22 PHE CB C 22 43.580 42.435 1.145 1 1 167 . 4 1 1 A 22 22 PHE C C 22 175.562 175.908 -0.346 1 1 168 . 4 1 1 A 23 23 SER N N 23 117.719 119.110 -1.391 1 1 169 . 4 1 1 A 23 23 SER H H 23 8.890 9.025 -0.135 1 1 170 . 4 1 1 A 23 23 SER CA C 23 61.814 60.718 1.096 1 1 171 . 4 1 1 A 23 23 SER HA H 23 4.259 4.469 -0.210 1 1 172 . 4 1 1 A 23 23 SER CB C 23 63.470 63.737 -0.267 1 1 175 . 4 1 1 A 23 23 SER C C 23 173.419 173.955 -0.536 1 1 176 . 4 1 1 A 24 24 PHE N N 24 114.646 118.742 -4.096 1 1 177 . 4 1 1 A 24 24 PHE H H 24 7.747 8.424 -0.677 1 1 178 . 4 1 1 A 24 24 PHE CA C 24 55.800 56.758 -0.958 1 1 179 . 4 1 1 A 24 24 PHE HA H 24 4.891 5.121 -0.230 1 1 180 . 4 1 1 A 24 24 PHE CB C 24 42.497 41.418 1.079 1 1 193 . 4 1 1 A 24 24 PHE C C 24 176.175 175.727 0.448 1 1 194 . 4 1 1 A 25 25 ASN CA C 25 56.980 56.351 0.629 1 1 195 . 4 1 1 A 25 25 ASN HA H 25 3.746 3.509 0.237 1 1 196 . 4 1 1 A 25 25 ASN CB C 25 38.999 38.420 0.579 1 1 202 . 4 1 1 A 26 26 SER CA C 26 61.136 61.821 -0.685 1 1 203 . 4 1 1 A 26 26 SER HA H 26 3.884 4.216 -0.332 1 1 204 . 4 1 1 A 26 26 SER CB C 26 61.259 62.869 -1.610 1 1 207 . 4 1 1 A 26 26 SER C C 26 176.598 177.000 -0.402 1 1 208 . 4 1 1 A 27 27 GLN N N 27 119.387 121.824 -2.437 1 1 209 . 4 1 1 A 27 27 GLN H H 27 6.763 7.783 -1.020 1 1 210 . 4 1 1 A 27 27 GLN CA C 27 57.426 58.809 -1.383 1 1 211 . 4 1 1 A 27 27 GLN HA H 27 3.946 3.930 0.016 1 1 212 . 4 1 1 A 27 27 GLN CB C 27 28.943 28.568 0.375 1 1 221 . 4 1 1 A 27 27 GLN C C 27 178.638 177.709 0.929 1 1 222 . 4 1 1 A 28 28 LEU N N 28 122.438 120.906 1.532 1 1 223 . 4 1 1 A 28 28 LEU H H 28 6.991 7.376 -0.385 1 1 224 . 4 1 1 A 28 28 LEU CA C 28 57.746 57.078 0.668 1 1 225 . 4 1 1 A 28 28 LEU HA H 28 3.313 2.482 0.831 1 1 226 . 4 1 1 A 28 28 LEU CB C 28 40.505 41.798 -1.293 1 1 239 . 4 1 1 A 28 28 LEU C C 28 177.395 178.157 -0.762 1 1 240 . 4 1 1 A 29 29 ILE N N 29 118.379 119.099 -0.720 1 1 241 . 4 1 1 A 29 29 ILE H H 29 7.976 7.846 0.130 1 1 242 . 4 1 1 A 29 29 ILE CA C 29 64.459 64.916 -0.457 1 1 243 . 4 1 1 A 29 29 ILE HA H 29 3.726 3.566 0.160 1 1 244 . 4 1 1 A 29 29 ILE CB C 29 37.373 37.618 -0.245 1 1 257 . 4 1 1 A 29 29 ILE C C 29 178.970 178.180 0.790 1 1 258 . 4 1 1 A 30 30 VAL N N 30 118.496 120.618 -2.122 1 1 259 . 4 1 1 A 30 30 VAL H H 30 7.047 7.972 -0.925 1 1 260 . 4 1 1 A 30 30 VAL CA C 30 66.457 65.952 0.505 1 1 261 . 4 1 1 A 30 30 VAL HA H 30 3.491 3.591 -0.100 1 1 262 . 4 1 1 A 30 30 VAL CB C 30 32.038 31.133 0.905 1 1 272 . 4 1 1 A 30 30 VAL C C 30 178.763 178.121 0.642 1 1 273 . 4 1 1 A 31 31 HIS N N 31 119.928 119.938 -0.010 1 1 274 . 4 1 1 A 31 31 HIS H H 31 7.577 7.636 -0.059 1 1 275 . 4 1 1 A 31 31 HIS CA C 31 59.301 59.279 0.022 1 1 276 . 4 1 1 A 31 31 HIS HA H 31 4.113 4.206 -0.093 1 1 277 . 4 1 1 A 31 31 HIS CB C 31 28.544 29.892 -1.348 1 1 284 . 4 1 1 A 31 31 HIS C C 31 176.226 177.386 -1.160 1 1 285 . 4 1 1 A 32 32 GLN N N 32 114.793 118.213 -3.420 1 1 286 . 4 1 1 A 32 32 GLN H H 32 8.456 8.539 -0.083 1 1 287 . 4 1 1 A 32 32 GLN CA C 32 59.269 59.132 0.137 1 1 288 . 4 1 1 A 32 32 GLN HA H 32 3.645 3.892 -0.247 1 1 289 . 4 1 1 A 32 32 GLN CB C 32 28.282 28.243 0.039 1 1 298 . 4 1 1 A 32 32 GLN C C 32 177.376 178.291 -0.915 1 1 299 . 4 1 1 A 33 33 ARG N N 33 117.873 118.100 -0.227 1 1 300 . 4 1 1 A 33 33 ARG H H 33 7.186 7.813 -0.627 1 1 301 . 4 1 1 A 33 33 ARG CA C 33 58.401 58.207 0.194 1 1 302 . 4 1 1 A 33 33 ARG HA H 33 4.125 4.036 0.089 1 1 303 . 4 1 1 A 33 33 ARG CB C 33 30.016 29.951 0.065 1 1 312 . 4 1 1 A 33 33 ARG C C 33 178.684 177.468 1.216 1 1 313 . 4 1 1 A 34 34 ILE N N 34 116.164 114.708 1.456 1 1 314 . 4 1 1 A 34 34 ILE H H 34 7.837 7.762 0.075 1 1 315 . 4 1 1 A 34 34 ILE CA C 34 63.143 64.096 -0.953 1 1 316 . 4 1 1 A 34 34 ILE HA H 34 3.937 3.790 0.147 1 1 317 . 4 1 1 A 34 34 ILE CB C 34 37.689 37.468 0.221 1 1 330 . 4 1 1 A 34 34 ILE C C 34 177.369 177.992 -0.623 1 1 331 . 4 1 1 A 35 35 HIS N N 35 117.537 121.138 -3.601 1 1 332 . 4 1 1 A 35 35 HIS H H 35 7.184 7.712 -0.528 1 1 333 . 4 1 1 A 35 35 HIS CA C 35 55.178 59.301 -4.123 1 1 334 . 4 1 1 A 35 35 HIS HA H 35 4.842 4.359 0.483 1 1 335 . 4 1 1 A 35 35 HIS CB C 35 28.550 29.753 -1.203 1 1 342 . 4 1 1 A 35 35 HIS C C 35 175.800 177.746 -1.946 1 1 343 . 4 1 1 A 36 36 THR N N 36 111.364 113.372 -2.008 1 1 344 . 4 1 1 A 36 36 THR H H 36 7.747 7.706 0.041 1 1 345 . 4 1 1 A 36 36 THR CA C 36 62.359 65.459 -3.100 1 1 346 . 4 1 1 A 36 36 THR HA H 36 4.337 3.934 0.403 1 1 347 . 4 1 1 A 36 36 THR CB C 36 69.835 69.105 0.730 1 1 353 . 4 1 1 A 36 36 THR C C 36 175.474 174.802 0.672 1 1 354 . 4 1 1 A 37 37 GLY N N 37 110.552 109.461 1.091 1 1 355 . 4 1 1 A 37 37 GLY H H 37 8.181 8.056 0.125 1 1 356 . 4 1 1 A 37 37 GLY CA C 37 45.346 46.972 -1.626 1 1 357 . 4 1 1 A 37 37 GLY HA2 H 37 4.001 3.875 0.126 1 1 358 . 4 1 1 A 37 37 GLY HA3 H 37 3.922 3.885 0.037 1 1 359 . 4 1 1 A 37 37 GLY C C 37 174.041 174.529 -0.488 1 1 360 . 4 1 1 A 38 38 GLU N N 38 120.135 121.182 -1.047 1 1 361 . 4 1 1 A 38 38 GLU H H 38 8.080 7.897 0.183 1 1 362 . 4 1 1 A 38 38 GLU CA C 38 56.450 56.433 0.017 1 1 363 . 4 1 1 A 38 38 GLU HA H 38 4.205 4.358 -0.153 1 1 364 . 4 1 1 A 38 38 GLU CB C 38 30.467 30.294 0.173 1 1 370 . 4 1 1 A 38 38 GLU C C 38 175.932 175.718 0.214 1 1 371 . 4 1 1 A 39 39 ASN N N 39 120.503 122.934 -2.431 1 1 372 . 4 1 1 A 39 39 ASN H H 39 8.511 8.798 -0.287 1 1 373 . 4 1 1 A 39 39 ASN CA C 39 51.313 50.409 0.904 1 1 374 . 4 1 1 A 39 39 ASN HA H 39 4.931 5.476 -0.545 1 1 375 . 4 1 1 A 39 39 ASN CB C 39 38.883 41.278 -2.395 1 1 381 . 4 1 1 A 39 39 ASN C C 39 173.367 172.969 0.398 1 1 382 . 4 1 1 A 40 40 PRO CA C 40 63.564 62.421 1.143 1 1 383 . 4 1 1 A 40 40 PRO HA H 40 4.419 4.594 -0.175 1 1 384 . 4 1 1 A 40 40 PRO CB C 40 32.140 32.878 -0.738 1 1 391 . 4 1 1 A 40 40 PRO C C 40 177.061 176.204 0.857 1 1 392 . 4 1 1 A 41 41 SER N N 41 115.581 118.683 -3.102 1 1 393 . 4 1 1 A 41 41 SER H H 41 8.354 8.508 -0.154 1 1 394 . 4 1 1 A 41 41 SER CA C 41 58.463 60.369 -1.906 1 1 395 . 4 1 1 A 41 41 SER HA H 41 4.442 4.073 0.369 1 1 396 . 4 1 1 A 41 41 SER CB C 41 63.856 62.224 1.632 1 1 399 . 4 1 1 A 41 41 SER C C 41 174.582 175.412 -0.830 1 1 400 . 4 1 1 A 42 42 GLY N N 42 110.438 114.695 -4.257 1 1 401 . 4 1 1 A 42 42 GLY H H 42 8.097 8.672 -0.575 1 1 402 . 4 1 1 A 42 42 GLY CA C 42 44.649 46.846 -2.197 1 1 403 . 4 1 1 A 42 42 GLY HA2 H 42 4.121 3.979 0.142 1 1 404 . 4 1 1 A 42 42 GLY HA3 H 42 4.072 3.979 0.093 1 1 405 . 4 1 1 A 42 42 GLY C C 42 171.675 175.320 -3.645 1 1 406 . 4 1 1 A 43 43 PRO CA C 43 63.436 64.964 -1.528 1 1 407 . 4 1 1 A 43 43 PRO HA H 43 4.421 4.317 0.104 1 1 408 . 4 1 1 A 43 43 PRO CB C 43 32.168 31.719 0.449 1 1 417 . 4 1 1 A 43 43 PRO C C 43 177.358 176.503 0.855 1 1 418 . 4 1 1 A 44 44 SER N N 44 116.459 115.391 1.068 1 1 419 . 4 1 1 A 44 44 SER H H 44 8.513 7.828 0.685 1 1 420 . 4 1 1 A 44 44 SER CA C 44 58.367 60.579 -2.212 1 1 421 . 4 1 1 A 44 44 SER HA H 44 4.465 4.326 0.139 1 1 422 . 4 1 1 A 44 44 SER CB C 44 63.692 63.848 -0.156 1 1 425 . 4 1 1 A 44 44 SER C C 44 174.649 174.369 0.280 1 1 426 . 4 1 1 A 45 45 SER N N 45 117.890 119.545 -1.655 1 1 427 . 4 1 1 A 45 45 SER H H 45 8.318 8.921 -0.603 1 1 1 . 5 1 1 A 8 8 THR CA C 8 61.809 62.711 -0.902 1 1 2 . 5 1 1 A 8 8 THR HA H 8 4.339 3.998 0.341 1 1 3 . 5 1 1 A 8 8 THR CB C 8 69.833 67.108 2.725 1 1 9 . 5 1 1 A 8 8 THR C C 8 175.270 174.868 0.402 1 1 10 . 5 1 1 A 9 9 GLY N N 9 111.063 108.753 2.310 1 1 11 . 5 1 1 A 9 9 GLY H H 9 8.444 8.180 0.264 1 1 12 . 5 1 1 A 9 9 GLY CA C 9 45.198 46.179 -0.981 1 1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.925 3.836 0.089 1 1 14 . 5 1 1 A 9 9 GLY HA3 H 9 3.888 3.837 0.051 1 1 15 . 5 1 1 A 9 9 GLY C C 9 174.015 173.756 0.259 1 1 16 . 5 1 1 A 10 10 GLU N N 10 120.294 117.916 2.378 1 1 17 . 5 1 1 A 10 10 GLU H H 10 8.193 7.793 0.400 1 1 18 . 5 1 1 A 10 10 GLU CA C 10 56.635 54.427 2.208 1 1 19 . 5 1 1 A 10 10 GLU HA H 10 4.170 4.968 -0.798 1 1 20 . 5 1 1 A 10 10 GLU CB C 10 30.501 34.297 -3.796 1 1 26 . 5 1 1 A 10 10 GLU C C 10 176.395 174.818 1.577 1 1 27 . 5 1 1 A 11 11 LYS N N 11 122.626 120.372 2.254 1 1 28 . 5 1 1 A 11 11 LYS H H 11 8.329 8.515 -0.186 1 1 29 . 5 1 1 A 11 11 LYS CA C 11 53.922 53.072 0.850 1 1 30 . 5 1 1 A 11 11 LYS HA H 11 4.446 4.798 -0.352 1 1 31 . 5 1 1 A 11 11 LYS CB C 11 32.479 33.733 -1.254 1 1 43 . 5 1 1 A 11 11 LYS C C 11 174.018 176.426 -2.408 1 1 44 . 5 1 1 A 12 12 PRO CA C 12 63.321 63.768 -0.447 1 1 45 . 5 1 1 A 12 12 PRO HA H 12 4.283 4.303 -0.020 1 1 46 . 5 1 1 A 12 12 PRO CB C 12 32.313 31.119 1.194 1 1 55 . 5 1 1 A 12 12 PRO C C 12 176.149 175.846 0.303 1 1 56 . 5 1 1 A 13 13 HIS N N 13 119.256 117.006 2.250 1 1 57 . 5 1 1 A 13 13 HIS H H 13 8.026 7.434 0.592 1 1 58 . 5 1 1 A 13 13 HIS CA C 13 55.275 54.904 0.371 1 1 59 . 5 1 1 A 13 13 HIS HA H 13 4.602 5.083 -0.481 1 1 60 . 5 1 1 A 13 13 HIS CB C 13 30.264 32.072 -1.808 1 1 67 . 5 1 1 A 13 13 HIS C C 13 174.072 173.628 0.444 1 1 68 . 5 1 1 A 14 14 GLU N N 14 124.697 125.617 -0.920 1 1 69 . 5 1 1 A 14 14 GLU H H 14 8.462 9.272 -0.810 1 1 70 . 5 1 1 A 14 14 GLU CA C 14 55.194 54.934 0.260 1 1 71 . 5 1 1 A 14 14 GLU HA H 14 4.702 5.201 -0.499 1 1 72 . 5 1 1 A 14 14 GLU CB C 14 32.794 32.652 0.142 1 1 78 . 5 1 1 A 14 14 GLU C C 14 175.024 175.525 -0.501 1 1 79 . 5 1 1 A 15 15 CYS N N 15 126.805 124.851 1.954 1 1 80 . 5 1 1 A 15 15 CYS H H 15 9.220 9.314 -0.094 1 1 81 . 5 1 1 A 15 15 CYS CA C 15 59.261 57.964 1.297 1 1 82 . 5 1 1 A 15 15 CYS HA H 15 4.564 4.654 -0.090 1 1 83 . 5 1 1 A 15 15 CYS CB C 15 29.450 27.456 1.994 1 1 86 . 5 1 1 A 15 15 CYS C C 15 177.227 175.475 1.752 1 1 87 . 5 1 1 A 16 16 ARG N N 16 114.338 127.190 -12.852 1 1 88 . 5 1 1 A 16 16 ARG H H 16 9.348 8.704 0.644 1 1 89 . 5 1 1 A 16 16 ARG CA C 16 58.121 58.593 -0.472 1 1 90 . 5 1 1 A 16 16 ARG HA H 16 4.164 4.162 0.002 1 1 91 . 5 1 1 A 16 16 ARG CB C 16 29.789 29.884 -0.095 1 1 99 . 5 1 1 A 16 16 ARG C C 16 176.716 178.544 -1.828 1 1 100 . 5 1 1 A 17 17 GLU N N 17 119.673 118.305 1.368 1 1 101 . 5 1 1 A 17 17 GLU H H 17 8.516 7.937 0.579 1 1 102 . 5 1 1 A 17 17 GLU CA C 17 58.332 59.048 -0.716 1 1 103 . 5 1 1 A 17 17 GLU HA H 17 4.146 3.967 0.179 1 1 104 . 5 1 1 A 17 17 GLU CB C 17 29.305 29.482 -0.177 1 1 110 . 5 1 1 A 17 17 GLU C C 17 177.290 177.928 -0.638 1 1 111 . 5 1 1 A 18 18 CYS N N 18 114.190 114.855 -0.665 1 1 112 . 5 1 1 A 18 18 CYS H H 18 7.848 7.926 -0.078 1 1 113 . 5 1 1 A 18 18 CYS CA C 18 58.352 59.653 -1.301 1 1 114 . 5 1 1 A 18 18 CYS HA H 18 5.141 4.671 0.470 1 1 115 . 5 1 1 A 18 18 CYS CB C 18 32.546 30.006 2.540 1 1 118 . 5 1 1 A 18 18 CYS C C 18 176.195 175.381 0.814 1 1 119 . 5 1 1 A 19 19 GLY N N 19 113.563 109.568 3.995 1 1 120 . 5 1 1 A 19 19 GLY H H 19 8.233 7.978 0.255 1 1 121 . 5 1 1 A 19 19 GLY CA C 19 46.147 45.147 1.000 1 1 122 . 5 1 1 A 19 19 GLY HA2 H 19 3.839 4.047 -0.208 1 1 123 . 5 1 1 A 19 19 GLY HA3 H 19 4.195 4.055 0.140 1 1 124 . 5 1 1 A 19 19 GLY C C 19 173.979 174.736 -0.757 1 1 125 . 5 1 1 A 20 20 LYS N N 20 122.714 121.417 1.297 1 1 126 . 5 1 1 A 20 20 LYS H H 20 7.906 7.509 0.397 1 1 127 . 5 1 1 A 20 20 LYS CA C 20 57.773 56.487 1.286 1 1 128 . 5 1 1 A 20 20 LYS HA H 20 4.016 4.201 -0.185 1 1 129 . 5 1 1 A 20 20 LYS CB C 20 33.694 33.818 -0.124 1 1 141 . 5 1 1 A 20 20 LYS C C 20 174.181 174.757 -0.576 1 1 142 . 5 1 1 A 21 21 SER N N 21 114.889 115.004 -0.115 1 1 143 . 5 1 1 A 21 21 SER H H 21 7.770 8.244 -0.474 1 1 144 . 5 1 1 A 21 21 SER CA C 21 56.643 57.311 -0.668 1 1 145 . 5 1 1 A 21 21 SER HA H 21 5.178 5.206 -0.028 1 1 146 . 5 1 1 A 21 21 SER CB C 21 65.863 66.769 -0.906 1 1 149 . 5 1 1 A 21 21 SER C C 21 173.075 172.721 0.354 1 1 150 . 5 1 1 A 22 22 PHE N N 22 118.070 121.749 -3.679 1 1 151 . 5 1 1 A 22 22 PHE H H 22 8.425 9.349 -0.924 1 1 152 . 5 1 1 A 22 22 PHE CA C 22 57.274 57.011 0.263 1 1 153 . 5 1 1 A 22 22 PHE HA H 22 4.717 4.984 -0.267 1 1 154 . 5 1 1 A 22 22 PHE CB C 22 43.580 43.056 0.524 1 1 167 . 5 1 1 A 22 22 PHE C C 22 175.562 176.178 -0.616 1 1 168 . 5 1 1 A 23 23 SER N N 23 117.719 117.194 0.525 1 1 169 . 5 1 1 A 23 23 SER H H 23 8.890 9.004 -0.114 1 1 170 . 5 1 1 A 23 23 SER CA C 23 61.814 60.714 1.100 1 1 171 . 5 1 1 A 23 23 SER HA H 23 4.259 4.394 -0.135 1 1 172 . 5 1 1 A 23 23 SER CB C 23 63.470 63.466 0.004 1 1 175 . 5 1 1 A 23 23 SER C C 23 173.419 174.603 -1.184 1 1 176 . 5 1 1 A 24 24 PHE N N 24 114.646 120.578 -5.932 1 1 177 . 5 1 1 A 24 24 PHE H H 24 7.747 8.098 -0.351 1 1 178 . 5 1 1 A 24 24 PHE CA C 24 55.800 56.451 -0.651 1 1 179 . 5 1 1 A 24 24 PHE HA H 24 4.891 5.198 -0.307 1 1 180 . 5 1 1 A 24 24 PHE CB C 24 42.497 41.664 0.833 1 1 193 . 5 1 1 A 24 24 PHE C C 24 176.175 175.476 0.699 1 1 194 . 5 1 1 A 25 25 ASN CA C 25 56.980 55.940 1.040 1 1 195 . 5 1 1 A 25 25 ASN HA H 25 3.746 3.388 0.358 1 1 196 . 5 1 1 A 25 25 ASN CB C 25 38.999 38.163 0.836 1 1 202 . 5 1 1 A 26 26 SER CA C 26 61.136 61.813 -0.677 1 1 203 . 5 1 1 A 26 26 SER HA H 26 3.884 4.187 -0.303 1 1 204 . 5 1 1 A 26 26 SER CB C 26 61.259 63.032 -1.773 1 1 207 . 5 1 1 A 26 26 SER C C 26 176.598 176.972 -0.374 1 1 208 . 5 1 1 A 27 27 GLN N N 27 119.387 121.834 -2.447 1 1 209 . 5 1 1 A 27 27 GLN H H 27 6.763 7.652 -0.889 1 1 210 . 5 1 1 A 27 27 GLN CA C 27 57.426 58.653 -1.227 1 1 211 . 5 1 1 A 27 27 GLN HA H 27 3.946 3.899 0.047 1 1 212 . 5 1 1 A 27 27 GLN CB C 27 28.943 28.483 0.460 1 1 221 . 5 1 1 A 27 27 GLN C C 27 178.638 177.744 0.894 1 1 222 . 5 1 1 A 28 28 LEU N N 28 122.438 120.708 1.730 1 1 223 . 5 1 1 A 28 28 LEU H H 28 6.991 7.323 -0.332 1 1 224 . 5 1 1 A 28 28 LEU CA C 28 57.746 57.013 0.733 1 1 225 . 5 1 1 A 28 28 LEU HA H 28 3.313 2.494 0.819 1 1 226 . 5 1 1 A 28 28 LEU CB C 28 40.505 41.838 -1.333 1 1 239 . 5 1 1 A 28 28 LEU C C 28 177.395 178.171 -0.776 1 1 240 . 5 1 1 A 29 29 ILE N N 29 118.379 118.920 -0.541 1 1 241 . 5 1 1 A 29 29 ILE H H 29 7.976 7.699 0.277 1 1 242 . 5 1 1 A 29 29 ILE CA C 29 64.459 64.979 -0.520 1 1 243 . 5 1 1 A 29 29 ILE HA H 29 3.726 3.571 0.155 1 1 244 . 5 1 1 A 29 29 ILE CB C 29 37.373 37.612 -0.239 1 1 257 . 5 1 1 A 29 29 ILE C C 29 178.970 178.170 0.800 1 1 258 . 5 1 1 A 30 30 VAL N N 30 118.496 120.082 -1.586 1 1 259 . 5 1 1 A 30 30 VAL H H 30 7.047 7.995 -0.948 1 1 260 . 5 1 1 A 30 30 VAL CA C 30 66.457 66.402 0.055 1 1 261 . 5 1 1 A 30 30 VAL HA H 30 3.491 3.532 -0.041 1 1 262 . 5 1 1 A 30 30 VAL CB C 30 32.038 31.421 0.617 1 1 272 . 5 1 1 A 30 30 VAL C C 30 178.763 178.109 0.654 1 1 273 . 5 1 1 A 31 31 HIS N N 31 119.928 120.029 -0.101 1 1 274 . 5 1 1 A 31 31 HIS H H 31 7.577 7.662 -0.085 1 1 275 . 5 1 1 A 31 31 HIS CA C 31 59.301 59.434 -0.133 1 1 276 . 5 1 1 A 31 31 HIS HA H 31 4.113 4.195 -0.082 1 1 277 . 5 1 1 A 31 31 HIS CB C 31 28.544 29.979 -1.435 1 1 284 . 5 1 1 A 31 31 HIS C C 31 176.226 177.337 -1.111 1 1 285 . 5 1 1 A 32 32 GLN N N 32 114.793 118.215 -3.422 1 1 286 . 5 1 1 A 32 32 GLN H H 32 8.456 8.515 -0.059 1 1 287 . 5 1 1 A 32 32 GLN CA C 32 59.269 58.829 0.440 1 1 288 . 5 1 1 A 32 32 GLN HA H 32 3.645 3.809 -0.164 1 1 289 . 5 1 1 A 32 32 GLN CB C 32 28.282 28.304 -0.022 1 1 298 . 5 1 1 A 32 32 GLN C C 32 177.376 178.367 -0.991 1 1 299 . 5 1 1 A 33 33 ARG N N 33 117.873 118.201 -0.328 1 1 300 . 5 1 1 A 33 33 ARG H H 33 7.186 7.301 -0.115 1 1 301 . 5 1 1 A 33 33 ARG CA C 33 58.401 58.211 0.190 1 1 302 . 5 1 1 A 33 33 ARG HA H 33 4.125 4.050 0.075 1 1 303 . 5 1 1 A 33 33 ARG CB C 33 30.016 29.988 0.028 1 1 312 . 5 1 1 A 33 33 ARG C C 33 178.684 177.662 1.022 1 1 313 . 5 1 1 A 34 34 ILE N N 34 116.164 115.251 0.913 1 1 314 . 5 1 1 A 34 34 ILE H H 34 7.837 7.719 0.118 1 1 315 . 5 1 1 A 34 34 ILE CA C 34 63.143 64.157 -1.014 1 1 316 . 5 1 1 A 34 34 ILE HA H 34 3.937 3.776 0.161 1 1 317 . 5 1 1 A 34 34 ILE CB C 34 37.689 37.388 0.301 1 1 330 . 5 1 1 A 34 34 ILE C C 34 177.369 178.112 -0.743 1 1 331 . 5 1 1 A 35 35 HIS N N 35 117.537 119.592 -2.055 1 1 332 . 5 1 1 A 35 35 HIS H H 35 7.184 7.604 -0.420 1 1 333 . 5 1 1 A 35 35 HIS CA C 35 55.178 59.163 -3.985 1 1 334 . 5 1 1 A 35 35 HIS HA H 35 4.842 4.367 0.475 1 1 335 . 5 1 1 A 35 35 HIS CB C 35 28.550 30.765 -2.215 1 1 342 . 5 1 1 A 35 35 HIS C C 35 175.800 176.539 -0.739 1 1 343 . 5 1 1 A 36 36 THR N N 36 111.364 110.881 0.483 1 1 344 . 5 1 1 A 36 36 THR H H 36 7.747 7.774 -0.027 1 1 345 . 5 1 1 A 36 36 THR CA C 36 62.359 61.064 1.295 1 1 346 . 5 1 1 A 36 36 THR HA H 36 4.337 4.266 0.071 1 1 347 . 5 1 1 A 36 36 THR CB C 36 69.835 67.805 2.030 1 1 353 . 5 1 1 A 36 36 THR C C 36 175.474 174.346 1.128 1 1 354 . 5 1 1 A 37 37 GLY N N 37 110.552 112.522 -1.970 1 1 355 . 5 1 1 A 37 37 GLY H H 37 8.181 7.735 0.446 1 1 356 . 5 1 1 A 37 37 GLY CA C 37 45.346 45.917 -0.571 1 1 357 . 5 1 1 A 37 37 GLY HA2 H 37 4.001 4.083 -0.082 1 1 358 . 5 1 1 A 37 37 GLY HA3 H 37 3.922 4.091 -0.169 1 1 359 . 5 1 1 A 37 37 GLY C C 37 174.041 174.284 -0.243 1 1 360 . 5 1 1 A 38 38 GLU N N 38 120.135 119.908 0.227 1 1 361 . 5 1 1 A 38 38 GLU H H 38 8.080 8.132 -0.052 1 1 362 . 5 1 1 A 38 38 GLU CA C 38 56.450 54.693 1.757 1 1 363 . 5 1 1 A 38 38 GLU HA H 38 4.205 4.866 -0.661 1 1 364 . 5 1 1 A 38 38 GLU CB C 38 30.467 32.530 -2.063 1 1 370 . 5 1 1 A 38 38 GLU C C 38 175.932 175.507 0.425 1 1 371 . 5 1 1 A 39 39 ASN N N 39 120.503 118.557 1.946 1 1 372 . 5 1 1 A 39 39 ASN H H 39 8.511 8.719 -0.208 1 1 373 . 5 1 1 A 39 39 ASN CA C 39 51.313 49.841 1.472 1 1 374 . 5 1 1 A 39 39 ASN HA H 39 4.931 5.291 -0.360 1 1 375 . 5 1 1 A 39 39 ASN CB C 39 38.883 40.960 -2.077 1 1 381 . 5 1 1 A 39 39 ASN C C 39 173.367 172.706 0.661 1 1 382 . 5 1 1 A 40 40 PRO CA C 40 63.564 62.350 1.214 1 1 383 . 5 1 1 A 40 40 PRO HA H 40 4.419 4.614 -0.195 1 1 384 . 5 1 1 A 40 40 PRO CB C 40 32.140 32.770 -0.630 1 1 391 . 5 1 1 A 40 40 PRO C C 40 177.061 176.279 0.782 1 1 392 . 5 1 1 A 41 41 SER N N 41 115.581 118.026 -2.445 1 1 393 . 5 1 1 A 41 41 SER H H 41 8.354 8.561 -0.207 1 1 394 . 5 1 1 A 41 41 SER CA C 41 58.463 60.264 -1.801 1 1 395 . 5 1 1 A 41 41 SER HA H 41 4.442 4.052 0.390 1 1 396 . 5 1 1 A 41 41 SER CB C 41 63.856 62.573 1.283 1 1 399 . 5 1 1 A 41 41 SER C C 41 174.582 175.411 -0.829 1 1 400 . 5 1 1 A 42 42 GLY N N 42 110.438 114.685 -4.247 1 1 401 . 5 1 1 A 42 42 GLY H H 42 8.097 9.013 -0.916 1 1 402 . 5 1 1 A 42 42 GLY CA C 42 44.649 46.956 -2.307 1 1 403 . 5 1 1 A 42 42 GLY HA2 H 42 4.121 3.885 0.236 1 1 404 . 5 1 1 A 42 42 GLY HA3 H 42 4.072 3.885 0.187 1 1 405 . 5 1 1 A 42 42 GLY C C 42 171.675 175.609 -3.934 1 1 406 . 5 1 1 A 43 43 PRO CA C 43 63.436 64.974 -1.538 1 1 407 . 5 1 1 A 43 43 PRO HA H 43 4.421 4.385 0.036 1 1 408 . 5 1 1 A 43 43 PRO CB C 43 32.168 32.172 -0.004 1 1 417 . 5 1 1 A 43 43 PRO C C 43 177.358 176.396 0.962 1 1 418 . 5 1 1 A 44 44 SER N N 44 116.459 114.556 1.903 1 1 419 . 5 1 1 A 44 44 SER H H 44 8.513 8.211 0.302 1 1 420 . 5 1 1 A 44 44 SER CA C 44 58.367 57.468 0.899 1 1 421 . 5 1 1 A 44 44 SER HA H 44 4.465 4.736 -0.271 1 1 422 . 5 1 1 A 44 44 SER CB C 44 63.692 65.408 -1.716 1 1 425 . 5 1 1 A 44 44 SER C C 44 174.649 173.966 0.683 1 1 426 . 5 1 1 A 45 45 SER N N 45 117.890 118.840 -0.950 1 1 427 . 5 1 1 A 45 45 SER H H 45 8.318 8.990 -0.672 1 1 1 . 6 1 1 A 8 8 THR CA C 8 61.809 59.638 2.171 1 1 2 . 6 1 1 A 8 8 THR HA H 8 4.339 5.152 -0.813 1 1 3 . 6 1 1 A 8 8 THR CB C 8 69.833 72.471 -2.638 1 1 9 . 6 1 1 A 8 8 THR C C 8 175.270 172.958 2.312 1 1 10 . 6 1 1 A 9 9 GLY N N 9 111.063 108.500 2.563 1 1 11 . 6 1 1 A 9 9 GLY H H 9 8.444 8.491 -0.047 1 1 12 . 6 1 1 A 9 9 GLY CA C 9 45.198 44.961 0.237 1 1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.925 4.360 -0.435 1 1 14 . 6 1 1 A 9 9 GLY HA3 H 9 3.888 4.366 -0.478 1 1 15 . 6 1 1 A 9 9 GLY C C 9 174.015 172.017 1.998 1 1 16 . 6 1 1 A 10 10 GLU N N 10 120.294 123.305 -3.011 1 1 17 . 6 1 1 A 10 10 GLU H H 10 8.193 8.893 -0.700 1 1 18 . 6 1 1 A 10 10 GLU CA C 10 56.635 55.395 1.240 1 1 19 . 6 1 1 A 10 10 GLU HA H 10 4.170 4.503 -0.333 1 1 20 . 6 1 1 A 10 10 GLU CB C 10 30.501 28.781 1.720 1 1 26 . 6 1 1 A 10 10 GLU C C 10 176.395 174.630 1.765 1 1 27 . 6 1 1 A 11 11 LYS N N 11 122.626 123.425 -0.799 1 1 28 . 6 1 1 A 11 11 LYS H H 11 8.329 7.305 1.024 1 1 29 . 6 1 1 A 11 11 LYS CA C 11 53.922 53.217 0.705 1 1 30 . 6 1 1 A 11 11 LYS HA H 11 4.446 4.692 -0.246 1 1 31 . 6 1 1 A 11 11 LYS CB C 11 32.479 33.508 -1.029 1 1 43 . 6 1 1 A 11 11 LYS C C 11 174.018 176.413 -2.395 1 1 44 . 6 1 1 A 12 12 PRO CA C 12 63.321 63.770 -0.449 1 1 45 . 6 1 1 A 12 12 PRO HA H 12 4.283 4.306 -0.023 1 1 46 . 6 1 1 A 12 12 PRO CB C 12 32.313 31.117 1.196 1 1 55 . 6 1 1 A 12 12 PRO C C 12 176.149 175.864 0.285 1 1 56 . 6 1 1 A 13 13 HIS N N 13 119.256 117.215 2.041 1 1 57 . 6 1 1 A 13 13 HIS H H 13 8.026 7.430 0.596 1 1 58 . 6 1 1 A 13 13 HIS CA C 13 55.275 54.891 0.384 1 1 59 . 6 1 1 A 13 13 HIS HA H 13 4.602 5.100 -0.498 1 1 60 . 6 1 1 A 13 13 HIS CB C 13 30.264 32.038 -1.774 1 1 67 . 6 1 1 A 13 13 HIS C C 13 174.072 173.641 0.431 1 1 68 . 6 1 1 A 14 14 GLU N N 14 124.697 125.458 -0.761 1 1 69 . 6 1 1 A 14 14 GLU H H 14 8.462 9.284 -0.822 1 1 70 . 6 1 1 A 14 14 GLU CA C 14 55.194 54.811 0.383 1 1 71 . 6 1 1 A 14 14 GLU HA H 14 4.702 5.353 -0.651 1 1 72 . 6 1 1 A 14 14 GLU CB C 14 32.794 33.059 -0.265 1 1 78 . 6 1 1 A 14 14 GLU C C 14 175.024 175.040 -0.016 1 1 79 . 6 1 1 A 15 15 CYS N N 15 126.805 124.542 2.263 1 1 80 . 6 1 1 A 15 15 CYS H H 15 9.220 9.274 -0.054 1 1 81 . 6 1 1 A 15 15 CYS CA C 15 59.261 57.884 1.377 1 1 82 . 6 1 1 A 15 15 CYS HA H 15 4.564 4.839 -0.275 1 1 83 . 6 1 1 A 15 15 CYS CB C 15 29.450 28.991 0.459 1 1 86 . 6 1 1 A 15 15 CYS C C 15 177.227 175.759 1.468 1 1 87 . 6 1 1 A 16 16 ARG N N 16 114.338 128.083 -13.745 1 1 88 . 6 1 1 A 16 16 ARG H H 16 9.348 8.815 0.533 1 1 89 . 6 1 1 A 16 16 ARG CA C 16 58.121 58.607 -0.486 1 1 90 . 6 1 1 A 16 16 ARG HA H 16 4.164 4.044 0.120 1 1 91 . 6 1 1 A 16 16 ARG CB C 16 29.789 30.224 -0.435 1 1 99 . 6 1 1 A 16 16 ARG C C 16 176.716 177.878 -1.162 1 1 100 . 6 1 1 A 17 17 GLU N N 17 119.673 117.819 1.854 1 1 101 . 6 1 1 A 17 17 GLU H H 17 8.516 7.965 0.551 1 1 102 . 6 1 1 A 17 17 GLU CA C 17 58.332 58.850 -0.518 1 1 103 . 6 1 1 A 17 17 GLU HA H 17 4.146 3.912 0.234 1 1 104 . 6 1 1 A 17 17 GLU CB C 17 29.305 29.247 0.058 1 1 110 . 6 1 1 A 17 17 GLU C C 17 177.290 177.920 -0.630 1 1 111 . 6 1 1 A 18 18 CYS N N 18 114.190 114.751 -0.561 1 1 112 . 6 1 1 A 18 18 CYS H H 18 7.848 7.947 -0.099 1 1 113 . 6 1 1 A 18 18 CYS CA C 18 58.352 59.587 -1.235 1 1 114 . 6 1 1 A 18 18 CYS HA H 18 5.141 4.693 0.448 1 1 115 . 6 1 1 A 18 18 CYS CB C 18 32.546 30.010 2.536 1 1 118 . 6 1 1 A 18 18 CYS C C 18 176.195 175.508 0.687 1 1 119 . 6 1 1 A 19 19 GLY N N 19 113.563 110.078 3.485 1 1 120 . 6 1 1 A 19 19 GLY H H 19 8.233 7.939 0.294 1 1 121 . 6 1 1 A 19 19 GLY CA C 19 46.147 45.010 1.137 1 1 122 . 6 1 1 A 19 19 GLY HA2 H 19 3.839 4.086 -0.247 1 1 123 . 6 1 1 A 19 19 GLY HA3 H 19 4.195 4.098 0.097 1 1 124 . 6 1 1 A 19 19 GLY C C 19 173.979 174.543 -0.564 1 1 125 . 6 1 1 A 20 20 LYS N N 20 122.714 120.807 1.907 1 1 126 . 6 1 1 A 20 20 LYS H H 20 7.906 7.444 0.462 1 1 127 . 6 1 1 A 20 20 LYS CA C 20 57.773 56.287 1.486 1 1 128 . 6 1 1 A 20 20 LYS HA H 20 4.016 4.259 -0.243 1 1 129 . 6 1 1 A 20 20 LYS CB C 20 33.694 33.998 -0.304 1 1 141 . 6 1 1 A 20 20 LYS C C 20 174.181 175.468 -1.287 1 1 142 . 6 1 1 A 21 21 SER N N 21 114.889 112.593 2.296 1 1 143 . 6 1 1 A 21 21 SER H H 21 7.770 8.241 -0.471 1 1 144 . 6 1 1 A 21 21 SER CA C 21 56.643 56.618 0.025 1 1 145 . 6 1 1 A 21 21 SER HA H 21 5.178 5.501 -0.323 1 1 146 . 6 1 1 A 21 21 SER CB C 21 65.863 65.824 0.039 1 1 149 . 6 1 1 A 21 21 SER C C 21 173.075 172.928 0.147 1 1 150 . 6 1 1 A 22 22 PHE N N 22 118.070 121.095 -3.025 1 1 151 . 6 1 1 A 22 22 PHE H H 22 8.425 9.502 -1.077 1 1 152 . 6 1 1 A 22 22 PHE CA C 22 57.274 56.438 0.836 1 1 153 . 6 1 1 A 22 22 PHE HA H 22 4.717 5.038 -0.321 1 1 154 . 6 1 1 A 22 22 PHE CB C 22 43.580 41.897 1.683 1 1 167 . 6 1 1 A 22 22 PHE C C 22 175.562 176.215 -0.653 1 1 168 . 6 1 1 A 23 23 SER N N 23 117.719 118.322 -0.603 1 1 169 . 6 1 1 A 23 23 SER H H 23 8.890 8.849 0.041 1 1 170 . 6 1 1 A 23 23 SER CA C 23 61.814 62.472 -0.658 1 1 171 . 6 1 1 A 23 23 SER HA H 23 4.259 4.382 -0.123 1 1 172 . 6 1 1 A 23 23 SER CB C 23 63.470 63.261 0.209 1 1 175 . 6 1 1 A 23 23 SER C C 23 173.419 174.838 -1.419 1 1 176 . 6 1 1 A 24 24 PHE N N 24 114.646 118.287 -3.641 1 1 177 . 6 1 1 A 24 24 PHE H H 24 7.747 8.353 -0.606 1 1 178 . 6 1 1 A 24 24 PHE CA C 24 55.800 56.645 -0.845 1 1 179 . 6 1 1 A 24 24 PHE HA H 24 4.891 5.188 -0.297 1 1 180 . 6 1 1 A 24 24 PHE CB C 24 42.497 41.913 0.584 1 1 193 . 6 1 1 A 24 24 PHE C C 24 176.175 175.561 0.614 1 1 194 . 6 1 1 A 25 25 ASN CA C 25 56.980 55.819 1.161 1 1 195 . 6 1 1 A 25 25 ASN HA H 25 3.746 3.564 0.182 1 1 196 . 6 1 1 A 25 25 ASN CB C 25 38.999 38.195 0.804 1 1 202 . 6 1 1 A 26 26 SER CA C 26 61.136 61.826 -0.690 1 1 203 . 6 1 1 A 26 26 SER HA H 26 3.884 4.193 -0.309 1 1 204 . 6 1 1 A 26 26 SER CB C 26 61.259 62.972 -1.713 1 1 207 . 6 1 1 A 26 26 SER C C 26 176.598 176.938 -0.340 1 1 208 . 6 1 1 A 27 27 GLN N N 27 119.387 121.823 -2.436 1 1 209 . 6 1 1 A 27 27 GLN H H 27 6.763 7.944 -1.181 1 1 210 . 6 1 1 A 27 27 GLN CA C 27 57.426 58.643 -1.217 1 1 211 . 6 1 1 A 27 27 GLN HA H 27 3.946 3.931 0.015 1 1 212 . 6 1 1 A 27 27 GLN CB C 27 28.943 28.534 0.409 1 1 221 . 6 1 1 A 27 27 GLN C C 27 178.638 177.739 0.899 1 1 222 . 6 1 1 A 28 28 LEU N N 28 122.438 120.858 1.580 1 1 223 . 6 1 1 A 28 28 LEU H H 28 6.991 7.407 -0.416 1 1 224 . 6 1 1 A 28 28 LEU CA C 28 57.746 57.054 0.692 1 1 225 . 6 1 1 A 28 28 LEU HA H 28 3.313 2.621 0.692 1 1 226 . 6 1 1 A 28 28 LEU CB C 28 40.505 41.716 -1.211 1 1 239 . 6 1 1 A 28 28 LEU C C 28 177.395 178.473 -1.078 1 1 240 . 6 1 1 A 29 29 ILE N N 29 118.379 118.844 -0.465 1 1 241 . 6 1 1 A 29 29 ILE H H 29 7.976 7.727 0.249 1 1 242 . 6 1 1 A 29 29 ILE CA C 29 64.459 64.790 -0.331 1 1 243 . 6 1 1 A 29 29 ILE HA H 29 3.726 3.653 0.073 1 1 244 . 6 1 1 A 29 29 ILE CB C 29 37.373 37.748 -0.375 1 1 257 . 6 1 1 A 29 29 ILE C C 29 178.970 178.187 0.783 1 1 258 . 6 1 1 A 30 30 VAL N N 30 118.496 120.291 -1.795 1 1 259 . 6 1 1 A 30 30 VAL H H 30 7.047 7.896 -0.849 1 1 260 . 6 1 1 A 30 30 VAL CA C 30 66.457 66.134 0.323 1 1 261 . 6 1 1 A 30 30 VAL HA H 30 3.491 3.563 -0.072 1 1 262 . 6 1 1 A 30 30 VAL CB C 30 32.038 31.265 0.773 1 1 272 . 6 1 1 A 30 30 VAL C C 30 178.763 178.088 0.675 1 1 273 . 6 1 1 A 31 31 HIS N N 31 119.928 120.088 -0.160 1 1 274 . 6 1 1 A 31 31 HIS H H 31 7.577 7.734 -0.157 1 1 275 . 6 1 1 A 31 31 HIS CA C 31 59.301 59.526 -0.225 1 1 276 . 6 1 1 A 31 31 HIS HA H 31 4.113 4.217 -0.104 1 1 277 . 6 1 1 A 31 31 HIS CB C 31 28.544 29.924 -1.380 1 1 284 . 6 1 1 A 31 31 HIS C C 31 176.226 177.382 -1.156 1 1 285 . 6 1 1 A 32 32 GLN N N 32 114.793 118.228 -3.435 1 1 286 . 6 1 1 A 32 32 GLN H H 32 8.456 8.439 0.017 1 1 287 . 6 1 1 A 32 32 GLN CA C 32 59.269 58.941 0.328 1 1 288 . 6 1 1 A 32 32 GLN HA H 32 3.645 3.867 -0.222 1 1 289 . 6 1 1 A 32 32 GLN CB C 32 28.282 28.312 -0.030 1 1 298 . 6 1 1 A 32 32 GLN C C 32 177.376 178.400 -1.024 1 1 299 . 6 1 1 A 33 33 ARG N N 33 117.873 118.138 -0.265 1 1 300 . 6 1 1 A 33 33 ARG H H 33 7.186 7.779 -0.593 1 1 301 . 6 1 1 A 33 33 ARG CA C 33 58.401 58.205 0.196 1 1 302 . 6 1 1 A 33 33 ARG HA H 33 4.125 4.049 0.076 1 1 303 . 6 1 1 A 33 33 ARG CB C 33 30.016 30.006 0.010 1 1 312 . 6 1 1 A 33 33 ARG C C 33 178.684 177.644 1.040 1 1 313 . 6 1 1 A 34 34 ILE N N 34 116.164 115.445 0.719 1 1 314 . 6 1 1 A 34 34 ILE H H 34 7.837 7.800 0.037 1 1 315 . 6 1 1 A 34 34 ILE CA C 34 63.143 64.027 -0.884 1 1 316 . 6 1 1 A 34 34 ILE HA H 34 3.937 3.775 0.162 1 1 317 . 6 1 1 A 34 34 ILE CB C 34 37.689 37.363 0.326 1 1 330 . 6 1 1 A 34 34 ILE C C 34 177.369 178.217 -0.848 1 1 331 . 6 1 1 A 35 35 HIS N N 35 117.537 119.813 -2.276 1 1 332 . 6 1 1 A 35 35 HIS H H 35 7.184 7.475 -0.291 1 1 333 . 6 1 1 A 35 35 HIS CA C 35 55.178 58.973 -3.795 1 1 334 . 6 1 1 A 35 35 HIS HA H 35 4.842 4.412 0.430 1 1 335 . 6 1 1 A 35 35 HIS CB C 35 28.550 31.121 -2.571 1 1 342 . 6 1 1 A 35 35 HIS C C 35 175.800 176.404 -0.604 1 1 343 . 6 1 1 A 36 36 THR N N 36 111.364 110.547 0.817 1 1 344 . 6 1 1 A 36 36 THR H H 36 7.747 7.738 0.009 1 1 345 . 6 1 1 A 36 36 THR CA C 36 62.359 60.959 1.400 1 1 346 . 6 1 1 A 36 36 THR HA H 36 4.337 4.293 0.044 1 1 347 . 6 1 1 A 36 36 THR CB C 36 69.835 67.810 2.025 1 1 353 . 6 1 1 A 36 36 THR C C 36 175.474 174.507 0.967 1 1 354 . 6 1 1 A 37 37 GLY N N 37 110.552 111.817 -1.265 1 1 355 . 6 1 1 A 37 37 GLY H H 37 8.181 7.526 0.655 1 1 356 . 6 1 1 A 37 37 GLY CA C 37 45.346 45.512 -0.166 1 1 357 . 6 1 1 A 37 37 GLY HA2 H 37 4.001 4.015 -0.014 1 1 358 . 6 1 1 A 37 37 GLY HA3 H 37 3.922 4.023 -0.101 1 1 359 . 6 1 1 A 37 37 GLY C C 37 174.041 174.409 -0.368 1 1 360 . 6 1 1 A 38 38 GLU N N 38 120.135 122.209 -2.074 1 1 361 . 6 1 1 A 38 38 GLU H H 38 8.080 7.857 0.223 1 1 362 . 6 1 1 A 38 38 GLU CA C 38 56.450 56.443 0.007 1 1 363 . 6 1 1 A 38 38 GLU HA H 38 4.205 4.296 -0.091 1 1 364 . 6 1 1 A 38 38 GLU CB C 38 30.467 30.142 0.325 1 1 370 . 6 1 1 A 38 38 GLU C C 38 175.932 176.101 -0.169 1 1 371 . 6 1 1 A 39 39 ASN N N 39 120.503 125.272 -4.769 1 1 372 . 6 1 1 A 39 39 ASN H H 39 8.511 8.397 0.114 1 1 373 . 6 1 1 A 39 39 ASN CA C 39 51.313 50.371 0.942 1 1 374 . 6 1 1 A 39 39 ASN HA H 39 4.931 5.446 -0.515 1 1 375 . 6 1 1 A 39 39 ASN CB C 39 38.883 39.593 -0.710 1 1 381 . 6 1 1 A 39 39 ASN C C 39 173.367 173.881 -0.514 1 1 382 . 6 1 1 A 40 40 PRO CA C 40 63.564 63.564 0.000 1 1 383 . 6 1 1 A 40 40 PRO HA H 40 4.419 4.442 -0.023 1 1 384 . 6 1 1 A 40 40 PRO CB C 40 32.140 32.090 0.050 1 1 391 . 6 1 1 A 40 40 PRO C C 40 177.061 176.625 0.436 1 1 392 . 6 1 1 A 41 41 SER N N 41 115.581 111.555 4.026 1 1 393 . 6 1 1 A 41 41 SER H H 41 8.354 8.188 0.166 1 1 394 . 6 1 1 A 41 41 SER CA C 41 58.463 59.486 -1.023 1 1 395 . 6 1 1 A 41 41 SER HA H 41 4.442 4.212 0.230 1 1 396 . 6 1 1 A 41 41 SER CB C 41 63.856 60.993 2.863 1 1 399 . 6 1 1 A 41 41 SER C C 41 174.582 174.124 0.458 1 1 400 . 6 1 1 A 42 42 GLY N N 42 110.438 106.678 3.760 1 1 401 . 6 1 1 A 42 42 GLY H H 42 8.097 8.145 -0.048 1 1 402 . 6 1 1 A 42 42 GLY CA C 42 44.649 46.120 -1.471 1 1 403 . 6 1 1 A 42 42 GLY HA2 H 42 4.121 4.104 0.017 1 1 404 . 6 1 1 A 42 42 GLY HA3 H 42 4.072 4.106 -0.034 1 1 405 . 6 1 1 A 42 42 GLY C C 42 171.675 174.713 -3.038 1 1 406 . 6 1 1 A 43 43 PRO CA C 43 63.436 64.287 -0.851 1 1 407 . 6 1 1 A 43 43 PRO HA H 43 4.421 4.415 0.006 1 1 408 . 6 1 1 A 43 43 PRO CB C 43 32.168 31.838 0.330 1 1 417 . 6 1 1 A 43 43 PRO C C 43 177.358 175.614 1.744 1 1 418 . 6 1 1 A 44 44 SER N N 44 116.459 110.122 6.337 1 1 419 . 6 1 1 A 44 44 SER H H 44 8.513 7.430 1.083 1 1 420 . 6 1 1 A 44 44 SER CA C 44 58.367 56.913 1.454 1 1 421 . 6 1 1 A 44 44 SER HA H 44 4.465 5.041 -0.576 1 1 422 . 6 1 1 A 44 44 SER CB C 44 63.692 66.288 -2.596 1 1 425 . 6 1 1 A 44 44 SER C C 44 174.649 173.148 1.501 1 1 426 . 6 1 1 A 45 45 SER N N 45 117.890 115.938 1.952 1 1 427 . 6 1 1 A 45 45 SER H H 45 8.318 8.553 -0.235 1 1 1 . 7 1 1 A 8 8 THR CA C 8 61.809 61.109 0.700 1 1 2 . 7 1 1 A 8 8 THR HA H 8 4.339 4.680 -0.341 1 1 3 . 7 1 1 A 8 8 THR CB C 8 69.833 71.196 -1.363 1 1 9 . 7 1 1 A 8 8 THR C C 8 175.270 174.885 0.385 1 1 10 . 7 1 1 A 9 9 GLY N N 9 111.063 115.101 -4.038 1 1 11 . 7 1 1 A 9 9 GLY H H 9 8.444 8.586 -0.142 1 1 12 . 7 1 1 A 9 9 GLY CA C 9 45.198 46.782 -1.584 1 1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.925 3.906 0.019 1 1 14 . 7 1 1 A 9 9 GLY HA3 H 9 3.888 3.908 -0.020 1 1 15 . 7 1 1 A 9 9 GLY C C 9 174.015 174.349 -0.334 1 1 16 . 7 1 1 A 10 10 GLU N N 10 120.294 118.120 2.174 1 1 17 . 7 1 1 A 10 10 GLU H H 10 8.193 8.119 0.074 1 1 18 . 7 1 1 A 10 10 GLU CA C 10 56.635 56.012 0.623 1 1 19 . 7 1 1 A 10 10 GLU HA H 10 4.170 4.400 -0.230 1 1 20 . 7 1 1 A 10 10 GLU CB C 10 30.501 30.599 -0.098 1 1 26 . 7 1 1 A 10 10 GLU C C 10 176.395 176.067 0.328 1 1 27 . 7 1 1 A 11 11 LYS N N 11 122.626 122.497 0.129 1 1 28 . 7 1 1 A 11 11 LYS H H 11 8.329 8.858 -0.529 1 1 29 . 7 1 1 A 11 11 LYS CA C 11 53.922 54.395 -0.473 1 1 30 . 7 1 1 A 11 11 LYS HA H 11 4.446 4.407 0.039 1 1 31 . 7 1 1 A 11 11 LYS CB C 11 32.479 31.738 0.741 1 1 43 . 7 1 1 A 11 11 LYS C C 11 174.018 176.488 -2.470 1 1 44 . 7 1 1 A 12 12 PRO CA C 12 63.321 63.863 -0.542 1 1 45 . 7 1 1 A 12 12 PRO HA H 12 4.283 4.289 -0.006 1 1 46 . 7 1 1 A 12 12 PRO CB C 12 32.313 31.126 1.187 1 1 55 . 7 1 1 A 12 12 PRO C C 12 176.149 175.842 0.307 1 1 56 . 7 1 1 A 13 13 HIS N N 13 119.256 117.010 2.246 1 1 57 . 7 1 1 A 13 13 HIS H H 13 8.026 7.423 0.603 1 1 58 . 7 1 1 A 13 13 HIS CA C 13 55.275 54.896 0.379 1 1 59 . 7 1 1 A 13 13 HIS HA H 13 4.602 5.081 -0.479 1 1 60 . 7 1 1 A 13 13 HIS CB C 13 30.264 32.064 -1.800 1 1 67 . 7 1 1 A 13 13 HIS C C 13 174.072 173.620 0.452 1 1 68 . 7 1 1 A 14 14 GLU N N 14 124.697 125.594 -0.897 1 1 69 . 7 1 1 A 14 14 GLU H H 14 8.462 9.285 -0.823 1 1 70 . 7 1 1 A 14 14 GLU CA C 14 55.194 54.992 0.202 1 1 71 . 7 1 1 A 14 14 GLU HA H 14 4.702 5.206 -0.504 1 1 72 . 7 1 1 A 14 14 GLU CB C 14 32.794 32.374 0.420 1 1 78 . 7 1 1 A 14 14 GLU C C 14 175.024 175.361 -0.337 1 1 79 . 7 1 1 A 15 15 CYS N N 15 126.805 124.987 1.818 1 1 80 . 7 1 1 A 15 15 CYS H H 15 9.220 9.279 -0.059 1 1 81 . 7 1 1 A 15 15 CYS CA C 15 59.261 58.017 1.244 1 1 82 . 7 1 1 A 15 15 CYS HA H 15 4.564 4.697 -0.133 1 1 83 . 7 1 1 A 15 15 CYS CB C 15 29.450 27.489 1.961 1 1 86 . 7 1 1 A 15 15 CYS C C 15 177.227 175.623 1.604 1 1 87 . 7 1 1 A 16 16 ARG N N 16 114.338 127.886 -13.548 1 1 88 . 7 1 1 A 16 16 ARG H H 16 9.348 8.596 0.752 1 1 89 . 7 1 1 A 16 16 ARG CA C 16 58.121 58.448 -0.327 1 1 90 . 7 1 1 A 16 16 ARG HA H 16 4.164 3.978 0.186 1 1 91 . 7 1 1 A 16 16 ARG CB C 16 29.789 30.206 -0.417 1 1 99 . 7 1 1 A 16 16 ARG C C 16 176.716 177.605 -0.889 1 1 100 . 7 1 1 A 17 17 GLU N N 17 119.673 117.727 1.946 1 1 101 . 7 1 1 A 17 17 GLU H H 17 8.516 7.979 0.537 1 1 102 . 7 1 1 A 17 17 GLU CA C 17 58.332 58.782 -0.450 1 1 103 . 7 1 1 A 17 17 GLU HA H 17 4.146 3.929 0.217 1 1 104 . 7 1 1 A 17 17 GLU CB C 17 29.305 29.481 -0.176 1 1 110 . 7 1 1 A 17 17 GLU C C 17 177.290 177.901 -0.611 1 1 111 . 7 1 1 A 18 18 CYS N N 18 114.190 114.854 -0.664 1 1 112 . 7 1 1 A 18 18 CYS H H 18 7.848 8.063 -0.215 1 1 113 . 7 1 1 A 18 18 CYS CA C 18 58.352 59.644 -1.292 1 1 114 . 7 1 1 A 18 18 CYS HA H 18 5.141 4.713 0.428 1 1 115 . 7 1 1 A 18 18 CYS CB C 18 32.546 30.036 2.510 1 1 118 . 7 1 1 A 18 18 CYS C C 18 176.195 175.490 0.705 1 1 119 . 7 1 1 A 19 19 GLY N N 19 113.563 109.774 3.789 1 1 120 . 7 1 1 A 19 19 GLY H H 19 8.233 7.926 0.307 1 1 121 . 7 1 1 A 19 19 GLY CA C 19 46.147 45.098 1.049 1 1 122 . 7 1 1 A 19 19 GLY HA2 H 19 3.839 4.059 -0.220 1 1 123 . 7 1 1 A 19 19 GLY HA3 H 19 4.195 4.068 0.127 1 1 124 . 7 1 1 A 19 19 GLY C C 19 173.979 174.744 -0.765 1 1 125 . 7 1 1 A 20 20 LYS N N 20 122.714 121.252 1.462 1 1 126 . 7 1 1 A 20 20 LYS H H 20 7.906 7.481 0.425 1 1 127 . 7 1 1 A 20 20 LYS CA C 20 57.773 56.614 1.159 1 1 128 . 7 1 1 A 20 20 LYS HA H 20 4.016 4.155 -0.139 1 1 129 . 7 1 1 A 20 20 LYS CB C 20 33.694 33.731 -0.037 1 1 141 . 7 1 1 A 20 20 LYS C C 20 174.181 175.371 -1.190 1 1 142 . 7 1 1 A 21 21 SER N N 21 114.889 112.526 2.363 1 1 143 . 7 1 1 A 21 21 SER H H 21 7.770 8.125 -0.355 1 1 144 . 7 1 1 A 21 21 SER CA C 21 56.643 56.775 -0.132 1 1 145 . 7 1 1 A 21 21 SER HA H 21 5.178 5.459 -0.281 1 1 146 . 7 1 1 A 21 21 SER CB C 21 65.863 65.861 0.002 1 1 149 . 7 1 1 A 21 21 SER C C 21 173.075 172.745 0.330 1 1 150 . 7 1 1 A 22 22 PHE N N 22 118.070 119.809 -1.739 1 1 151 . 7 1 1 A 22 22 PHE H H 22 8.425 9.297 -0.872 1 1 152 . 7 1 1 A 22 22 PHE CA C 22 57.274 56.521 0.753 1 1 153 . 7 1 1 A 22 22 PHE HA H 22 4.717 5.074 -0.357 1 1 154 . 7 1 1 A 22 22 PHE CB C 22 43.580 41.770 1.810 1 1 167 . 7 1 1 A 22 22 PHE C C 22 175.562 176.251 -0.689 1 1 168 . 7 1 1 A 23 23 SER N N 23 117.719 118.294 -0.575 1 1 169 . 7 1 1 A 23 23 SER H H 23 8.890 8.856 0.034 1 1 170 . 7 1 1 A 23 23 SER CA C 23 61.814 62.596 -0.782 1 1 171 . 7 1 1 A 23 23 SER HA H 23 4.259 4.379 -0.120 1 1 172 . 7 1 1 A 23 23 SER CB C 23 63.470 63.152 0.318 1 1 175 . 7 1 1 A 23 23 SER C C 23 173.419 174.931 -1.512 1 1 176 . 7 1 1 A 24 24 PHE N N 24 114.646 118.224 -3.578 1 1 177 . 7 1 1 A 24 24 PHE H H 24 7.747 8.372 -0.625 1 1 178 . 7 1 1 A 24 24 PHE CA C 24 55.800 56.850 -1.050 1 1 179 . 7 1 1 A 24 24 PHE HA H 24 4.891 5.221 -0.330 1 1 180 . 7 1 1 A 24 24 PHE CB C 24 42.497 42.350 0.147 1 1 193 . 7 1 1 A 24 24 PHE C C 24 176.175 175.629 0.546 1 1 194 . 7 1 1 A 25 25 ASN CA C 25 56.980 55.702 1.278 1 1 195 . 7 1 1 A 25 25 ASN HA H 25 3.746 3.588 0.158 1 1 196 . 7 1 1 A 25 25 ASN CB C 25 38.999 38.294 0.705 1 1 202 . 7 1 1 A 26 26 SER CA C 26 61.136 61.881 -0.745 1 1 203 . 7 1 1 A 26 26 SER HA H 26 3.884 4.189 -0.305 1 1 204 . 7 1 1 A 26 26 SER CB C 26 61.259 62.870 -1.611 1 1 207 . 7 1 1 A 26 26 SER C C 26 176.598 176.912 -0.314 1 1 208 . 7 1 1 A 27 27 GLN N N 27 119.387 121.795 -2.408 1 1 209 . 7 1 1 A 27 27 GLN H H 27 6.763 7.879 -1.116 1 1 210 . 7 1 1 A 27 27 GLN CA C 27 57.426 58.741 -1.315 1 1 211 . 7 1 1 A 27 27 GLN HA H 27 3.946 3.949 -0.003 1 1 212 . 7 1 1 A 27 27 GLN CB C 27 28.943 28.581 0.362 1 1 221 . 7 1 1 A 27 27 GLN C C 27 178.638 177.708 0.930 1 1 222 . 7 1 1 A 28 28 LEU N N 28 122.438 120.918 1.520 1 1 223 . 7 1 1 A 28 28 LEU H H 28 6.991 7.324 -0.333 1 1 224 . 7 1 1 A 28 28 LEU CA C 28 57.746 56.993 0.753 1 1 225 . 7 1 1 A 28 28 LEU HA H 28 3.313 2.542 0.771 1 1 226 . 7 1 1 A 28 28 LEU CB C 28 40.505 41.797 -1.292 1 1 239 . 7 1 1 A 28 28 LEU C C 28 177.395 178.474 -1.079 1 1 240 . 7 1 1 A 29 29 ILE N N 29 118.379 118.637 -0.258 1 1 241 . 7 1 1 A 29 29 ILE H H 29 7.976 7.785 0.191 1 1 242 . 7 1 1 A 29 29 ILE CA C 29 64.459 64.603 -0.144 1 1 243 . 7 1 1 A 29 29 ILE HA H 29 3.726 3.680 0.046 1 1 244 . 7 1 1 A 29 29 ILE CB C 29 37.373 37.478 -0.105 1 1 257 . 7 1 1 A 29 29 ILE C C 29 178.970 178.248 0.722 1 1 258 . 7 1 1 A 30 30 VAL N N 30 118.496 120.768 -2.272 1 1 259 . 7 1 1 A 30 30 VAL H H 30 7.047 7.965 -0.918 1 1 260 . 7 1 1 A 30 30 VAL CA C 30 66.457 66.126 0.331 1 1 261 . 7 1 1 A 30 30 VAL HA H 30 3.491 3.560 -0.069 1 1 262 . 7 1 1 A 30 30 VAL CB C 30 32.038 31.207 0.831 1 1 272 . 7 1 1 A 30 30 VAL C C 30 178.763 178.120 0.643 1 1 273 . 7 1 1 A 31 31 HIS N N 31 119.928 119.937 -0.009 1 1 274 . 7 1 1 A 31 31 HIS H H 31 7.577 7.669 -0.092 1 1 275 . 7 1 1 A 31 31 HIS CA C 31 59.301 59.429 -0.128 1 1 276 . 7 1 1 A 31 31 HIS HA H 31 4.113 4.205 -0.092 1 1 277 . 7 1 1 A 31 31 HIS CB C 31 28.544 29.983 -1.439 1 1 284 . 7 1 1 A 31 31 HIS C C 31 176.226 177.385 -1.159 1 1 285 . 7 1 1 A 32 32 GLN N N 32 114.793 118.213 -3.420 1 1 286 . 7 1 1 A 32 32 GLN H H 32 8.456 8.407 0.049 1 1 287 . 7 1 1 A 32 32 GLN CA C 32 59.269 59.073 0.196 1 1 288 . 7 1 1 A 32 32 GLN HA H 32 3.645 3.886 -0.241 1 1 289 . 7 1 1 A 32 32 GLN CB C 32 28.282 28.240 0.042 1 1 298 . 7 1 1 A 32 32 GLN C C 32 177.376 178.345 -0.969 1 1 299 . 7 1 1 A 33 33 ARG N N 33 117.873 118.143 -0.270 1 1 300 . 7 1 1 A 33 33 ARG H H 33 7.186 7.803 -0.617 1 1 301 . 7 1 1 A 33 33 ARG CA C 33 58.401 58.164 0.237 1 1 302 . 7 1 1 A 33 33 ARG HA H 33 4.125 4.055 0.070 1 1 303 . 7 1 1 A 33 33 ARG CB C 33 30.016 29.942 0.074 1 1 312 . 7 1 1 A 33 33 ARG C C 33 178.684 177.589 1.095 1 1 313 . 7 1 1 A 34 34 ILE N N 34 116.164 115.225 0.939 1 1 314 . 7 1 1 A 34 34 ILE H H 34 7.837 7.795 0.042 1 1 315 . 7 1 1 A 34 34 ILE CA C 34 63.143 64.041 -0.898 1 1 316 . 7 1 1 A 34 34 ILE HA H 34 3.937 3.817 0.120 1 1 317 . 7 1 1 A 34 34 ILE CB C 34 37.689 37.376 0.313 1 1 330 . 7 1 1 A 34 34 ILE C C 34 177.369 178.097 -0.728 1 1 331 . 7 1 1 A 35 35 HIS N N 35 117.537 120.991 -3.454 1 1 332 . 7 1 1 A 35 35 HIS H H 35 7.184 7.742 -0.558 1 1 333 . 7 1 1 A 35 35 HIS CA C 35 55.178 59.411 -4.233 1 1 334 . 7 1 1 A 35 35 HIS HA H 35 4.842 4.361 0.481 1 1 335 . 7 1 1 A 35 35 HIS CB C 35 28.550 29.950 -1.400 1 1 342 . 7 1 1 A 35 35 HIS C C 35 175.800 178.063 -2.263 1 1 343 . 7 1 1 A 36 36 THR N N 36 111.364 113.537 -2.173 1 1 344 . 7 1 1 A 36 36 THR H H 36 7.747 7.691 0.056 1 1 345 . 7 1 1 A 36 36 THR CA C 36 62.359 65.524 -3.165 1 1 346 . 7 1 1 A 36 36 THR HA H 36 4.337 3.901 0.436 1 1 347 . 7 1 1 A 36 36 THR CB C 36 69.835 68.626 1.209 1 1 353 . 7 1 1 A 36 36 THR C C 36 175.474 177.003 -1.529 1 1 354 . 7 1 1 A 37 37 GLY N N 37 110.552 107.631 2.921 1 1 355 . 7 1 1 A 37 37 GLY H H 37 8.181 8.117 0.064 1 1 356 . 7 1 1 A 37 37 GLY CA C 37 45.346 47.123 -1.777 1 1 357 . 7 1 1 A 37 37 GLY HA2 H 37 4.001 3.784 0.217 1 1 358 . 7 1 1 A 37 37 GLY HA3 H 37 3.922 3.795 0.127 1 1 359 . 7 1 1 A 37 37 GLY C C 37 174.041 174.272 -0.231 1 1 360 . 7 1 1 A 38 38 GLU N N 38 120.135 119.830 0.305 1 1 361 . 7 1 1 A 38 38 GLU H H 38 8.080 7.858 0.222 1 1 362 . 7 1 1 A 38 38 GLU CA C 38 56.450 54.779 1.671 1 1 363 . 7 1 1 A 38 38 GLU HA H 38 4.205 4.649 -0.444 1 1 364 . 7 1 1 A 38 38 GLU CB C 38 30.467 31.654 -1.187 1 1 370 . 7 1 1 A 38 38 GLU C C 38 175.932 175.867 0.065 1 1 371 . 7 1 1 A 39 39 ASN N N 39 120.503 125.437 -4.934 1 1 372 . 7 1 1 A 39 39 ASN H H 39 8.511 8.475 0.036 1 1 373 . 7 1 1 A 39 39 ASN CA C 39 51.313 52.263 -0.950 1 1 374 . 7 1 1 A 39 39 ASN HA H 39 4.931 4.662 0.269 1 1 375 . 7 1 1 A 39 39 ASN CB C 39 38.883 38.025 0.858 1 1 381 . 7 1 1 A 39 39 ASN C C 39 173.367 173.816 -0.449 1 1 382 . 7 1 1 A 40 40 PRO CA C 40 63.564 62.872 0.692 1 1 383 . 7 1 1 A 40 40 PRO HA H 40 4.419 4.685 -0.266 1 1 384 . 7 1 1 A 40 40 PRO CB C 40 32.140 32.539 -0.399 1 1 391 . 7 1 1 A 40 40 PRO C C 40 177.061 177.549 -0.488 1 1 392 . 7 1 1 A 41 41 SER N N 41 115.581 117.627 -2.046 1 1 393 . 7 1 1 A 41 41 SER H H 41 8.354 8.708 -0.354 1 1 394 . 7 1 1 A 41 41 SER CA C 41 58.463 62.017 -3.554 1 1 395 . 7 1 1 A 41 41 SER HA H 41 4.442 4.294 0.148 1 1 396 . 7 1 1 A 41 41 SER CB C 41 63.856 63.588 0.268 1 1 399 . 7 1 1 A 41 41 SER C C 41 174.582 175.556 -0.974 1 1 400 . 7 1 1 A 42 42 GLY N N 42 110.438 107.887 2.551 1 1 401 . 7 1 1 A 42 42 GLY H H 42 8.097 7.981 0.116 1 1 402 . 7 1 1 A 42 42 GLY CA C 42 44.649 46.434 -1.785 1 1 403 . 7 1 1 A 42 42 GLY HA2 H 42 4.121 4.264 -0.143 1 1 404 . 7 1 1 A 42 42 GLY HA3 H 42 4.072 4.268 -0.196 1 1 405 . 7 1 1 A 42 42 GLY C C 42 171.675 171.874 -0.199 1 1 406 . 7 1 1 A 43 43 PRO CA C 43 63.436 62.428 1.008 1 1 407 . 7 1 1 A 43 43 PRO HA H 43 4.421 4.636 -0.215 1 1 408 . 7 1 1 A 43 43 PRO CB C 43 32.168 32.835 -0.667 1 1 417 . 7 1 1 A 43 43 PRO C C 43 177.358 176.261 1.097 1 1 418 . 7 1 1 A 44 44 SER N N 44 116.459 117.493 -1.034 1 1 419 . 7 1 1 A 44 44 SER H H 44 8.513 8.465 0.048 1 1 420 . 7 1 1 A 44 44 SER CA C 44 58.367 58.467 -0.100 1 1 421 . 7 1 1 A 44 44 SER HA H 44 4.465 4.716 -0.251 1 1 422 . 7 1 1 A 44 44 SER CB C 44 63.692 63.747 -0.055 1 1 425 . 7 1 1 A 44 44 SER C C 44 174.649 173.524 1.125 1 1 426 . 7 1 1 A 45 45 SER N N 45 117.890 120.112 -2.222 1 1 427 . 7 1 1 A 45 45 SER H H 45 8.318 8.816 -0.498 1 1 1 . 8 1 1 A 8 8 THR CA C 8 61.809 60.424 1.385 1 1 2 . 8 1 1 A 8 8 THR HA H 8 4.339 5.030 -0.691 1 1 3 . 8 1 1 A 8 8 THR CB C 8 69.833 70.234 -0.401 1 1 9 . 8 1 1 A 8 8 THR C C 8 175.270 174.354 0.916 1 1 10 . 8 1 1 A 9 9 GLY N N 9 111.063 112.317 -1.254 1 1 11 . 8 1 1 A 9 9 GLY H H 9 8.444 8.607 -0.163 1 1 12 . 8 1 1 A 9 9 GLY CA C 9 45.198 44.640 0.558 1 1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.925 4.034 -0.109 1 1 14 . 8 1 1 A 9 9 GLY HA3 H 9 3.888 4.034 -0.146 1 1 15 . 8 1 1 A 9 9 GLY C C 9 174.015 172.885 1.130 1 1 16 . 8 1 1 A 10 10 GLU N N 10 120.294 117.287 3.007 1 1 17 . 8 1 1 A 10 10 GLU H H 10 8.193 8.351 -0.158 1 1 18 . 8 1 1 A 10 10 GLU CA C 10 56.635 54.385 2.250 1 1 19 . 8 1 1 A 10 10 GLU HA H 10 4.170 5.213 -1.043 1 1 20 . 8 1 1 A 10 10 GLU CB C 10 30.501 33.225 -2.724 1 1 26 . 8 1 1 A 10 10 GLU C C 10 176.395 174.471 1.924 1 1 27 . 8 1 1 A 11 11 LYS N N 11 122.626 120.968 1.658 1 1 28 . 8 1 1 A 11 11 LYS H H 11 8.329 8.547 -0.218 1 1 29 . 8 1 1 A 11 11 LYS CA C 11 53.922 53.139 0.783 1 1 30 . 8 1 1 A 11 11 LYS HA H 11 4.446 4.804 -0.358 1 1 31 . 8 1 1 A 11 11 LYS CB C 11 32.479 33.583 -1.104 1 1 43 . 8 1 1 A 11 11 LYS C C 11 174.018 176.220 -2.202 1 1 44 . 8 1 1 A 12 12 PRO CA C 12 63.321 63.702 -0.381 1 1 45 . 8 1 1 A 12 12 PRO HA H 12 4.283 4.328 -0.045 1 1 46 . 8 1 1 A 12 12 PRO CB C 12 32.313 31.074 1.239 1 1 55 . 8 1 1 A 12 12 PRO C C 12 176.149 175.890 0.259 1 1 56 . 8 1 1 A 13 13 HIS N N 13 119.256 117.021 2.235 1 1 57 . 8 1 1 A 13 13 HIS H H 13 8.026 7.429 0.597 1 1 58 . 8 1 1 A 13 13 HIS CA C 13 55.275 54.904 0.371 1 1 59 . 8 1 1 A 13 13 HIS HA H 13 4.602 5.079 -0.477 1 1 60 . 8 1 1 A 13 13 HIS CB C 13 30.264 32.127 -1.863 1 1 67 . 8 1 1 A 13 13 HIS C C 13 174.072 173.546 0.526 1 1 68 . 8 1 1 A 14 14 GLU N N 14 124.697 125.229 -0.532 1 1 69 . 8 1 1 A 14 14 GLU H H 14 8.462 9.309 -0.847 1 1 70 . 8 1 1 A 14 14 GLU CA C 14 55.194 54.637 0.557 1 1 71 . 8 1 1 A 14 14 GLU HA H 14 4.702 5.265 -0.563 1 1 72 . 8 1 1 A 14 14 GLU CB C 14 32.794 33.336 -0.542 1 1 78 . 8 1 1 A 14 14 GLU C C 14 175.024 175.522 -0.498 1 1 79 . 8 1 1 A 15 15 CYS N N 15 126.805 124.839 1.966 1 1 80 . 8 1 1 A 15 15 CYS H H 15 9.220 9.477 -0.257 1 1 81 . 8 1 1 A 15 15 CYS CA C 15 59.261 58.312 0.949 1 1 82 . 8 1 1 A 15 15 CYS HA H 15 4.564 4.711 -0.147 1 1 83 . 8 1 1 A 15 15 CYS CB C 15 29.450 29.510 -0.060 1 1 86 . 8 1 1 A 15 15 CYS C C 15 177.227 175.945 1.282 1 1 87 . 8 1 1 A 16 16 ARG N N 16 114.338 128.035 -13.697 1 1 88 . 8 1 1 A 16 16 ARG H H 16 9.348 8.839 0.509 1 1 89 . 8 1 1 A 16 16 ARG CA C 16 58.121 58.564 -0.443 1 1 90 . 8 1 1 A 16 16 ARG HA H 16 4.164 4.210 -0.046 1 1 91 . 8 1 1 A 16 16 ARG CB C 16 29.789 30.078 -0.289 1 1 99 . 8 1 1 A 16 16 ARG C C 16 176.716 178.049 -1.333 1 1 100 . 8 1 1 A 17 17 GLU N N 17 119.673 117.694 1.979 1 1 101 . 8 1 1 A 17 17 GLU H H 17 8.516 7.975 0.541 1 1 102 . 8 1 1 A 17 17 GLU CA C 17 58.332 59.126 -0.794 1 1 103 . 8 1 1 A 17 17 GLU HA H 17 4.146 3.891 0.255 1 1 104 . 8 1 1 A 17 17 GLU CB C 17 29.305 29.023 0.282 1 1 110 . 8 1 1 A 17 17 GLU C C 17 177.290 177.956 -0.666 1 1 111 . 8 1 1 A 18 18 CYS N N 18 114.190 114.781 -0.591 1 1 112 . 8 1 1 A 18 18 CYS H H 18 7.848 7.898 -0.050 1 1 113 . 8 1 1 A 18 18 CYS CA C 18 58.352 59.455 -1.103 1 1 114 . 8 1 1 A 18 18 CYS HA H 18 5.141 4.715 0.426 1 1 115 . 8 1 1 A 18 18 CYS CB C 18 32.546 30.209 2.337 1 1 118 . 8 1 1 A 18 18 CYS C C 18 176.195 175.669 0.526 1 1 119 . 8 1 1 A 19 19 GLY N N 19 113.563 109.823 3.740 1 1 120 . 8 1 1 A 19 19 GLY H H 19 8.233 7.995 0.238 1 1 121 . 8 1 1 A 19 19 GLY CA C 19 46.147 45.129 1.018 1 1 122 . 8 1 1 A 19 19 GLY HA2 H 19 3.839 4.060 -0.221 1 1 123 . 8 1 1 A 19 19 GLY HA3 H 19 4.195 4.069 0.126 1 1 124 . 8 1 1 A 19 19 GLY C C 19 173.979 174.822 -0.843 1 1 125 . 8 1 1 A 20 20 LYS N N 20 122.714 121.339 1.375 1 1 126 . 8 1 1 A 20 20 LYS H H 20 7.906 7.533 0.373 1 1 127 . 8 1 1 A 20 20 LYS CA C 20 57.773 56.607 1.166 1 1 128 . 8 1 1 A 20 20 LYS HA H 20 4.016 4.208 -0.192 1 1 129 . 8 1 1 A 20 20 LYS CB C 20 33.694 33.759 -0.065 1 1 141 . 8 1 1 A 20 20 LYS C C 20 174.181 174.790 -0.609 1 1 142 . 8 1 1 A 21 21 SER N N 21 114.889 115.579 -0.690 1 1 143 . 8 1 1 A 21 21 SER H H 21 7.770 8.236 -0.466 1 1 144 . 8 1 1 A 21 21 SER CA C 21 56.643 57.214 -0.571 1 1 145 . 8 1 1 A 21 21 SER HA H 21 5.178 5.165 0.013 1 1 146 . 8 1 1 A 21 21 SER CB C 21 65.863 66.495 -0.632 1 1 149 . 8 1 1 A 21 21 SER C C 21 173.075 172.881 0.194 1 1 150 . 8 1 1 A 22 22 PHE N N 22 118.070 122.588 -4.518 1 1 151 . 8 1 1 A 22 22 PHE H H 22 8.425 9.444 -1.019 1 1 152 . 8 1 1 A 22 22 PHE CA C 22 57.274 56.946 0.328 1 1 153 . 8 1 1 A 22 22 PHE HA H 22 4.717 4.960 -0.243 1 1 154 . 8 1 1 A 22 22 PHE CB C 22 43.580 42.980 0.600 1 1 167 . 8 1 1 A 22 22 PHE C C 22 175.562 175.924 -0.362 1 1 168 . 8 1 1 A 23 23 SER N N 23 117.719 119.244 -1.525 1 1 169 . 8 1 1 A 23 23 SER H H 23 8.890 9.077 -0.187 1 1 170 . 8 1 1 A 23 23 SER CA C 23 61.814 60.441 1.373 1 1 171 . 8 1 1 A 23 23 SER HA H 23 4.259 4.479 -0.220 1 1 172 . 8 1 1 A 23 23 SER CB C 23 63.470 63.810 -0.340 1 1 175 . 8 1 1 A 23 23 SER C C 23 173.419 174.027 -0.608 1 1 176 . 8 1 1 A 24 24 PHE N N 24 114.646 119.442 -4.796 1 1 177 . 8 1 1 A 24 24 PHE H H 24 7.747 8.367 -0.620 1 1 178 . 8 1 1 A 24 24 PHE CA C 24 55.800 56.282 -0.482 1 1 179 . 8 1 1 A 24 24 PHE HA H 24 4.891 5.156 -0.265 1 1 180 . 8 1 1 A 24 24 PHE CB C 24 42.497 41.544 0.953 1 1 193 . 8 1 1 A 24 24 PHE C C 24 176.175 175.584 0.591 1 1 194 . 8 1 1 A 25 25 ASN CA C 25 56.980 56.306 0.674 1 1 195 . 8 1 1 A 25 25 ASN HA H 25 3.746 3.461 0.285 1 1 196 . 8 1 1 A 25 25 ASN CB C 25 38.999 38.424 0.575 1 1 202 . 8 1 1 A 26 26 SER CA C 26 61.136 61.818 -0.682 1 1 203 . 8 1 1 A 26 26 SER HA H 26 3.884 4.229 -0.345 1 1 204 . 8 1 1 A 26 26 SER CB C 26 61.259 62.796 -1.537 1 1 207 . 8 1 1 A 26 26 SER C C 26 176.598 177.108 -0.510 1 1 208 . 8 1 1 A 27 27 GLN N N 27 119.387 121.592 -2.205 1 1 209 . 8 1 1 A 27 27 GLN H H 27 6.763 7.860 -1.097 1 1 210 . 8 1 1 A 27 27 GLN CA C 27 57.426 58.716 -1.290 1 1 211 . 8 1 1 A 27 27 GLN HA H 27 3.946 3.923 0.023 1 1 212 . 8 1 1 A 27 27 GLN CB C 27 28.943 28.553 0.390 1 1 221 . 8 1 1 A 27 27 GLN C C 27 178.638 177.722 0.916 1 1 222 . 8 1 1 A 28 28 LEU N N 28 122.438 120.837 1.601 1 1 223 . 8 1 1 A 28 28 LEU H H 28 6.991 7.413 -0.422 1 1 224 . 8 1 1 A 28 28 LEU CA C 28 57.746 57.091 0.655 1 1 225 . 8 1 1 A 28 28 LEU HA H 28 3.313 2.700 0.613 1 1 226 . 8 1 1 A 28 28 LEU CB C 28 40.505 41.744 -1.239 1 1 239 . 8 1 1 A 28 28 LEU C C 28 177.395 178.478 -1.083 1 1 240 . 8 1 1 A 29 29 ILE N N 29 118.379 118.893 -0.514 1 1 241 . 8 1 1 A 29 29 ILE H H 29 7.976 7.740 0.236 1 1 242 . 8 1 1 A 29 29 ILE CA C 29 64.459 64.854 -0.395 1 1 243 . 8 1 1 A 29 29 ILE HA H 29 3.726 3.618 0.108 1 1 244 . 8 1 1 A 29 29 ILE CB C 29 37.373 37.725 -0.352 1 1 257 . 8 1 1 A 29 29 ILE C C 29 178.970 178.262 0.708 1 1 258 . 8 1 1 A 30 30 VAL N N 30 118.496 120.485 -1.989 1 1 259 . 8 1 1 A 30 30 VAL H H 30 7.047 7.860 -0.813 1 1 260 . 8 1 1 A 30 30 VAL CA C 30 66.457 66.127 0.330 1 1 261 . 8 1 1 A 30 30 VAL HA H 30 3.491 3.562 -0.071 1 1 262 . 8 1 1 A 30 30 VAL CB C 30 32.038 31.202 0.836 1 1 272 . 8 1 1 A 30 30 VAL C C 30 178.763 178.056 0.707 1 1 273 . 8 1 1 A 31 31 HIS N N 31 119.928 120.087 -0.159 1 1 274 . 8 1 1 A 31 31 HIS H H 31 7.577 7.744 -0.167 1 1 275 . 8 1 1 A 31 31 HIS CA C 31 59.301 59.293 0.008 1 1 276 . 8 1 1 A 31 31 HIS HA H 31 4.113 4.233 -0.120 1 1 277 . 8 1 1 A 31 31 HIS CB C 31 28.544 29.904 -1.360 1 1 284 . 8 1 1 A 31 31 HIS C C 31 176.226 177.398 -1.172 1 1 285 . 8 1 1 A 32 32 GLN N N 32 114.793 118.145 -3.352 1 1 286 . 8 1 1 A 32 32 GLN H H 32 8.456 8.360 0.096 1 1 287 . 8 1 1 A 32 32 GLN CA C 32 59.269 59.024 0.245 1 1 288 . 8 1 1 A 32 32 GLN HA H 32 3.645 3.883 -0.238 1 1 289 . 8 1 1 A 32 32 GLN CB C 32 28.282 28.236 0.046 1 1 298 . 8 1 1 A 32 32 GLN C C 32 177.376 178.359 -0.983 1 1 299 . 8 1 1 A 33 33 ARG N N 33 117.873 118.085 -0.212 1 1 300 . 8 1 1 A 33 33 ARG H H 33 7.186 7.791 -0.605 1 1 301 . 8 1 1 A 33 33 ARG CA C 33 58.401 58.211 0.190 1 1 302 . 8 1 1 A 33 33 ARG HA H 33 4.125 4.037 0.088 1 1 303 . 8 1 1 A 33 33 ARG CB C 33 30.016 29.951 0.065 1 1 312 . 8 1 1 A 33 33 ARG C C 33 178.684 177.560 1.124 1 1 313 . 8 1 1 A 34 34 ILE N N 34 116.164 115.038 1.126 1 1 314 . 8 1 1 A 34 34 ILE H H 34 7.837 7.787 0.050 1 1 315 . 8 1 1 A 34 34 ILE CA C 34 63.143 64.174 -1.031 1 1 316 . 8 1 1 A 34 34 ILE HA H 34 3.937 3.788 0.149 1 1 317 . 8 1 1 A 34 34 ILE CB C 34 37.689 37.416 0.273 1 1 330 . 8 1 1 A 34 34 ILE C C 34 177.369 177.990 -0.621 1 1 331 . 8 1 1 A 35 35 HIS N N 35 117.537 121.249 -3.712 1 1 332 . 8 1 1 A 35 35 HIS H H 35 7.184 7.714 -0.530 1 1 333 . 8 1 1 A 35 35 HIS CA C 35 55.178 59.323 -4.145 1 1 334 . 8 1 1 A 35 35 HIS HA H 35 4.842 4.360 0.482 1 1 335 . 8 1 1 A 35 35 HIS CB C 35 28.550 29.730 -1.180 1 1 342 . 8 1 1 A 35 35 HIS C C 35 175.800 177.752 -1.952 1 1 343 . 8 1 1 A 36 36 THR N N 36 111.364 113.553 -2.189 1 1 344 . 8 1 1 A 36 36 THR H H 36 7.747 7.555 0.192 1 1 345 . 8 1 1 A 36 36 THR CA C 36 62.359 65.278 -2.919 1 1 346 . 8 1 1 A 36 36 THR HA H 36 4.337 3.906 0.431 1 1 347 . 8 1 1 A 36 36 THR CB C 36 69.835 69.405 0.430 1 1 353 . 8 1 1 A 36 36 THR C C 36 175.474 174.715 0.759 1 1 354 . 8 1 1 A 37 37 GLY N N 37 110.552 109.292 1.260 1 1 355 . 8 1 1 A 37 37 GLY H H 37 8.181 7.945 0.236 1 1 356 . 8 1 1 A 37 37 GLY CA C 37 45.346 46.470 -1.124 1 1 357 . 8 1 1 A 37 37 GLY HA2 H 37 4.001 3.886 0.115 1 1 358 . 8 1 1 A 37 37 GLY HA3 H 37 3.922 3.899 0.023 1 1 359 . 8 1 1 A 37 37 GLY C C 37 174.041 174.647 -0.606 1 1 360 . 8 1 1 A 38 38 GLU N N 38 120.135 121.045 -0.910 1 1 361 . 8 1 1 A 38 38 GLU H H 38 8.080 8.035 0.045 1 1 362 . 8 1 1 A 38 38 GLU CA C 38 56.450 57.315 -0.865 1 1 363 . 8 1 1 A 38 38 GLU HA H 38 4.205 4.207 -0.002 1 1 364 . 8 1 1 A 38 38 GLU CB C 38 30.467 30.414 0.053 1 1 370 . 8 1 1 A 38 38 GLU C C 38 175.932 175.827 0.105 1 1 371 . 8 1 1 A 39 39 ASN N N 39 120.503 125.163 -4.660 1 1 372 . 8 1 1 A 39 39 ASN H H 39 8.511 8.519 -0.008 1 1 373 . 8 1 1 A 39 39 ASN CA C 39 51.313 51.736 -0.423 1 1 374 . 8 1 1 A 39 39 ASN HA H 39 4.931 4.758 0.173 1 1 375 . 8 1 1 A 39 39 ASN CB C 39 38.883 38.124 0.759 1 1 381 . 8 1 1 A 39 39 ASN C C 39 173.367 174.828 -1.461 1 1 382 . 8 1 1 A 40 40 PRO CA C 40 63.564 62.882 0.682 1 1 383 . 8 1 1 A 40 40 PRO HA H 40 4.419 4.624 -0.205 1 1 384 . 8 1 1 A 40 40 PRO CB C 40 32.140 32.171 -0.031 1 1 391 . 8 1 1 A 40 40 PRO C C 40 177.061 177.791 -0.730 1 1 392 . 8 1 1 A 41 41 SER N N 41 115.581 118.292 -2.711 1 1 393 . 8 1 1 A 41 41 SER H H 41 8.354 8.677 -0.323 1 1 394 . 8 1 1 A 41 41 SER CA C 41 58.463 61.534 -3.071 1 1 395 . 8 1 1 A 41 41 SER HA H 41 4.442 4.254 0.188 1 1 396 . 8 1 1 A 41 41 SER CB C 41 63.856 63.581 0.275 1 1 399 . 8 1 1 A 41 41 SER C C 41 174.582 175.587 -1.005 1 1 400 . 8 1 1 A 42 42 GLY N N 42 110.438 107.163 3.275 1 1 401 . 8 1 1 A 42 42 GLY H H 42 8.097 7.871 0.226 1 1 402 . 8 1 1 A 42 42 GLY CA C 42 44.649 46.093 -1.444 1 1 403 . 8 1 1 A 42 42 GLY HA2 H 42 4.121 4.350 -0.229 1 1 404 . 8 1 1 A 42 42 GLY HA3 H 42 4.072 4.350 -0.278 1 1 405 . 8 1 1 A 42 42 GLY C C 42 171.675 171.978 -0.303 1 1 406 . 8 1 1 A 43 43 PRO CA C 43 63.436 62.383 1.053 1 1 407 . 8 1 1 A 43 43 PRO HA H 43 4.421 4.626 -0.205 1 1 408 . 8 1 1 A 43 43 PRO CB C 43 32.168 30.127 2.041 1 1 417 . 8 1 1 A 43 43 PRO C C 43 177.358 176.798 0.560 1 1 418 . 8 1 1 A 44 44 SER N N 44 116.459 118.718 -2.259 1 1 419 . 8 1 1 A 44 44 SER H H 44 8.513 8.120 0.393 1 1 420 . 8 1 1 A 44 44 SER CA C 44 58.367 58.664 -0.297 1 1 421 . 8 1 1 A 44 44 SER HA H 44 4.465 4.541 -0.076 1 1 422 . 8 1 1 A 44 44 SER CB C 44 63.692 64.157 -0.465 1 1 425 . 8 1 1 A 44 44 SER C C 44 174.649 176.130 -1.481 1 1 426 . 8 1 1 A 45 45 SER N N 45 117.890 116.779 1.111 1 1 427 . 8 1 1 A 45 45 SER H H 45 8.318 8.317 0.001 1 1 1 . 9 1 1 A 8 8 THR CA C 8 61.809 60.533 1.276 1 1 2 . 9 1 1 A 8 8 THR HA H 8 4.339 4.756 -0.417 1 1 3 . 9 1 1 A 8 8 THR CB C 8 69.833 72.795 -2.962 1 1 9 . 9 1 1 A 8 8 THR C C 8 175.270 173.496 1.774 1 1 10 . 9 1 1 A 9 9 GLY N N 9 111.063 112.699 -1.636 1 1 11 . 9 1 1 A 9 9 GLY H H 9 8.444 8.282 0.162 1 1 12 . 9 1 1 A 9 9 GLY CA C 9 45.198 45.634 -0.436 1 1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.925 4.134 -0.209 1 1 14 . 9 1 1 A 9 9 GLY HA3 H 9 3.888 4.134 -0.246 1 1 15 . 9 1 1 A 9 9 GLY C C 9 174.015 174.367 -0.352 1 1 16 . 9 1 1 A 10 10 GLU N N 10 120.294 120.615 -0.321 1 1 17 . 9 1 1 A 10 10 GLU H H 10 8.193 7.871 0.322 1 1 18 . 9 1 1 A 10 10 GLU CA C 10 56.635 55.978 0.657 1 1 19 . 9 1 1 A 10 10 GLU HA H 10 4.170 4.424 -0.254 1 1 20 . 9 1 1 A 10 10 GLU CB C 10 30.501 30.965 -0.464 1 1 26 . 9 1 1 A 10 10 GLU C C 10 176.395 175.846 0.549 1 1 27 . 9 1 1 A 11 11 LYS N N 11 122.626 121.075 1.551 1 1 28 . 9 1 1 A 11 11 LYS H H 11 8.329 8.574 -0.245 1 1 29 . 9 1 1 A 11 11 LYS CA C 11 53.922 54.420 -0.498 1 1 30 . 9 1 1 A 11 11 LYS HA H 11 4.446 4.465 -0.019 1 1 31 . 9 1 1 A 11 11 LYS CB C 11 32.479 31.662 0.817 1 1 43 . 9 1 1 A 11 11 LYS C C 11 174.018 176.381 -2.363 1 1 44 . 9 1 1 A 12 12 PRO CA C 12 63.321 63.875 -0.554 1 1 45 . 9 1 1 A 12 12 PRO HA H 12 4.283 4.298 -0.015 1 1 46 . 9 1 1 A 12 12 PRO CB C 12 32.313 31.147 1.166 1 1 55 . 9 1 1 A 12 12 PRO C C 12 176.149 175.847 0.302 1 1 56 . 9 1 1 A 13 13 HIS N N 13 119.256 117.016 2.240 1 1 57 . 9 1 1 A 13 13 HIS H H 13 8.026 7.436 0.590 1 1 58 . 9 1 1 A 13 13 HIS CA C 13 55.275 54.902 0.373 1 1 59 . 9 1 1 A 13 13 HIS HA H 13 4.602 5.085 -0.483 1 1 60 . 9 1 1 A 13 13 HIS CB C 13 30.264 32.133 -1.869 1 1 67 . 9 1 1 A 13 13 HIS C C 13 174.072 173.551 0.521 1 1 68 . 9 1 1 A 14 14 GLU N N 14 124.697 125.465 -0.768 1 1 69 . 9 1 1 A 14 14 GLU H H 14 8.462 9.288 -0.826 1 1 70 . 9 1 1 A 14 14 GLU CA C 14 55.194 54.789 0.405 1 1 71 . 9 1 1 A 14 14 GLU HA H 14 4.702 5.329 -0.627 1 1 72 . 9 1 1 A 14 14 GLU CB C 14 32.794 33.151 -0.357 1 1 78 . 9 1 1 A 14 14 GLU C C 14 175.024 175.085 -0.061 1 1 79 . 9 1 1 A 15 15 CYS N N 15 126.805 124.775 2.030 1 1 80 . 9 1 1 A 15 15 CYS H H 15 9.220 9.263 -0.043 1 1 81 . 9 1 1 A 15 15 CYS CA C 15 59.261 58.045 1.216 1 1 82 . 9 1 1 A 15 15 CYS HA H 15 4.564 4.809 -0.245 1 1 83 . 9 1 1 A 15 15 CYS CB C 15 29.450 29.069 0.381 1 1 86 . 9 1 1 A 15 15 CYS C C 15 177.227 176.351 0.876 1 1 87 . 9 1 1 A 16 16 ARG N N 16 114.338 128.203 -13.865 1 1 88 . 9 1 1 A 16 16 ARG H H 16 9.348 9.033 0.315 1 1 89 . 9 1 1 A 16 16 ARG CA C 16 58.121 58.336 -0.215 1 1 90 . 9 1 1 A 16 16 ARG HA H 16 4.164 4.220 -0.056 1 1 91 . 9 1 1 A 16 16 ARG CB C 16 29.789 30.162 -0.373 1 1 99 . 9 1 1 A 16 16 ARG C C 16 176.716 178.315 -1.599 1 1 100 . 9 1 1 A 17 17 GLU N N 17 119.673 118.339 1.334 1 1 101 . 9 1 1 A 17 17 GLU H H 17 8.516 7.960 0.556 1 1 102 . 9 1 1 A 17 17 GLU CA C 17 58.332 58.720 -0.388 1 1 103 . 9 1 1 A 17 17 GLU HA H 17 4.146 3.890 0.256 1 1 104 . 9 1 1 A 17 17 GLU CB C 17 29.305 29.334 -0.029 1 1 110 . 9 1 1 A 17 17 GLU C C 17 177.290 177.870 -0.580 1 1 111 . 9 1 1 A 18 18 CYS N N 18 114.190 114.848 -0.658 1 1 112 . 9 1 1 A 18 18 CYS H H 18 7.848 8.059 -0.211 1 1 113 . 9 1 1 A 18 18 CYS CA C 18 58.352 59.656 -1.304 1 1 114 . 9 1 1 A 18 18 CYS HA H 18 5.141 4.719 0.422 1 1 115 . 9 1 1 A 18 18 CYS CB C 18 32.546 30.007 2.539 1 1 118 . 9 1 1 A 18 18 CYS C C 18 176.195 175.586 0.609 1 1 119 . 9 1 1 A 19 19 GLY N N 19 113.563 109.859 3.704 1 1 120 . 9 1 1 A 19 19 GLY H H 19 8.233 7.775 0.458 1 1 121 . 9 1 1 A 19 19 GLY CA C 19 46.147 44.943 1.204 1 1 122 . 9 1 1 A 19 19 GLY HA2 H 19 3.839 4.094 -0.255 1 1 123 . 9 1 1 A 19 19 GLY HA3 H 19 4.195 4.105 0.090 1 1 124 . 9 1 1 A 19 19 GLY C C 19 173.979 174.528 -0.549 1 1 125 . 9 1 1 A 20 20 LYS N N 20 122.714 120.863 1.851 1 1 126 . 9 1 1 A 20 20 LYS H H 20 7.906 7.335 0.571 1 1 127 . 9 1 1 A 20 20 LYS CA C 20 57.773 56.189 1.584 1 1 128 . 9 1 1 A 20 20 LYS HA H 20 4.016 4.252 -0.236 1 1 129 . 9 1 1 A 20 20 LYS CB C 20 33.694 33.959 -0.265 1 1 141 . 9 1 1 A 20 20 LYS C C 20 174.181 175.457 -1.276 1 1 142 . 9 1 1 A 21 21 SER N N 21 114.889 112.571 2.318 1 1 143 . 9 1 1 A 21 21 SER H H 21 7.770 8.197 -0.427 1 1 144 . 9 1 1 A 21 21 SER CA C 21 56.643 56.708 -0.065 1 1 145 . 9 1 1 A 21 21 SER HA H 21 5.178 5.521 -0.343 1 1 146 . 9 1 1 A 21 21 SER CB C 21 65.863 65.843 0.020 1 1 149 . 9 1 1 A 21 21 SER C C 21 173.075 172.855 0.220 1 1 150 . 9 1 1 A 22 22 PHE N N 22 118.070 121.108 -3.038 1 1 151 . 9 1 1 A 22 22 PHE H H 22 8.425 9.428 -1.003 1 1 152 . 9 1 1 A 22 22 PHE CA C 22 57.274 56.340 0.934 1 1 153 . 9 1 1 A 22 22 PHE HA H 22 4.717 5.058 -0.341 1 1 154 . 9 1 1 A 22 22 PHE CB C 22 43.580 41.908 1.672 1 1 167 . 9 1 1 A 22 22 PHE C C 22 175.562 176.192 -0.630 1 1 168 . 9 1 1 A 23 23 SER N N 23 117.719 118.383 -0.664 1 1 169 . 9 1 1 A 23 23 SER H H 23 8.890 8.859 0.031 1 1 170 . 9 1 1 A 23 23 SER CA C 23 61.814 62.528 -0.714 1 1 171 . 9 1 1 A 23 23 SER HA H 23 4.259 4.450 -0.191 1 1 172 . 9 1 1 A 23 23 SER CB C 23 63.470 63.275 0.195 1 1 175 . 9 1 1 A 23 23 SER C C 23 173.419 174.955 -1.536 1 1 176 . 9 1 1 A 24 24 PHE N N 24 114.646 117.980 -3.334 1 1 177 . 9 1 1 A 24 24 PHE H H 24 7.747 8.367 -0.620 1 1 178 . 9 1 1 A 24 24 PHE CA C 24 55.800 56.485 -0.685 1 1 179 . 9 1 1 A 24 24 PHE HA H 24 4.891 5.193 -0.302 1 1 180 . 9 1 1 A 24 24 PHE CB C 24 42.497 41.920 0.577 1 1 193 . 9 1 1 A 24 24 PHE C C 24 176.175 175.571 0.604 1 1 194 . 9 1 1 A 25 25 ASN CA C 25 56.980 55.890 1.090 1 1 195 . 9 1 1 A 25 25 ASN HA H 25 3.746 3.628 0.118 1 1 196 . 9 1 1 A 25 25 ASN CB C 25 38.999 38.186 0.813 1 1 202 . 9 1 1 A 26 26 SER CA C 26 61.136 61.964 -0.828 1 1 203 . 9 1 1 A 26 26 SER HA H 26 3.884 4.147 -0.263 1 1 204 . 9 1 1 A 26 26 SER CB C 26 61.259 62.984 -1.725 1 1 207 . 9 1 1 A 26 26 SER C C 26 176.598 176.723 -0.125 1 1 208 . 9 1 1 A 27 27 GLN N N 27 119.387 121.424 -2.037 1 1 209 . 9 1 1 A 27 27 GLN H H 27 6.763 7.956 -1.193 1 1 210 . 9 1 1 A 27 27 GLN CA C 27 57.426 58.690 -1.264 1 1 211 . 9 1 1 A 27 27 GLN HA H 27 3.946 3.934 0.012 1 1 212 . 9 1 1 A 27 27 GLN CB C 27 28.943 28.543 0.400 1 1 221 . 9 1 1 A 27 27 GLN C C 27 178.638 177.723 0.915 1 1 222 . 9 1 1 A 28 28 LEU N N 28 122.438 120.997 1.441 1 1 223 . 9 1 1 A 28 28 LEU H H 28 6.991 7.418 -0.427 1 1 224 . 9 1 1 A 28 28 LEU CA C 28 57.746 57.002 0.744 1 1 225 . 9 1 1 A 28 28 LEU HA H 28 3.313 2.521 0.792 1 1 226 . 9 1 1 A 28 28 LEU CB C 28 40.505 41.718 -1.213 1 1 239 . 9 1 1 A 28 28 LEU C C 28 177.395 178.398 -1.003 1 1 240 . 9 1 1 A 29 29 ILE N N 29 118.379 118.836 -0.457 1 1 241 . 9 1 1 A 29 29 ILE H H 29 7.976 7.750 0.226 1 1 242 . 9 1 1 A 29 29 ILE CA C 29 64.459 64.643 -0.184 1 1 243 . 9 1 1 A 29 29 ILE HA H 29 3.726 3.635 0.091 1 1 244 . 9 1 1 A 29 29 ILE CB C 29 37.373 37.187 0.186 1 1 257 . 9 1 1 A 29 29 ILE C C 29 178.970 178.423 0.547 1 1 258 . 9 1 1 A 30 30 VAL N N 30 118.496 121.179 -2.683 1 1 259 . 9 1 1 A 30 30 VAL H H 30 7.047 8.020 -0.973 1 1 260 . 9 1 1 A 30 30 VAL CA C 30 66.457 65.942 0.515 1 1 261 . 9 1 1 A 30 30 VAL HA H 30 3.491 3.573 -0.082 1 1 262 . 9 1 1 A 30 30 VAL CB C 30 32.038 31.066 0.972 1 1 272 . 9 1 1 A 30 30 VAL C C 30 178.763 178.126 0.637 1 1 273 . 9 1 1 A 31 31 HIS N N 31 119.928 120.191 -0.263 1 1 274 . 9 1 1 A 31 31 HIS H H 31 7.577 7.679 -0.102 1 1 275 . 9 1 1 A 31 31 HIS CA C 31 59.301 59.398 -0.097 1 1 276 . 9 1 1 A 31 31 HIS HA H 31 4.113 4.214 -0.101 1 1 277 . 9 1 1 A 31 31 HIS CB C 31 28.544 29.896 -1.352 1 1 284 . 9 1 1 A 31 31 HIS C C 31 176.226 177.339 -1.113 1 1 285 . 9 1 1 A 32 32 GLN N N 32 114.793 118.245 -3.452 1 1 286 . 9 1 1 A 32 32 GLN H H 32 8.456 8.431 0.025 1 1 287 . 9 1 1 A 32 32 GLN CA C 32 59.269 58.931 0.338 1 1 288 . 9 1 1 A 32 32 GLN HA H 32 3.645 3.852 -0.207 1 1 289 . 9 1 1 A 32 32 GLN CB C 32 28.282 28.241 0.041 1 1 298 . 9 1 1 A 32 32 GLN C C 32 177.376 178.401 -1.025 1 1 299 . 9 1 1 A 33 33 ARG N N 33 117.873 118.138 -0.265 1 1 300 . 9 1 1 A 33 33 ARG H H 33 7.186 7.781 -0.595 1 1 301 . 9 1 1 A 33 33 ARG CA C 33 58.401 58.213 0.188 1 1 302 . 9 1 1 A 33 33 ARG HA H 33 4.125 4.040 0.085 1 1 303 . 9 1 1 A 33 33 ARG CB C 33 30.016 30.009 0.007 1 1 312 . 9 1 1 A 33 33 ARG C C 33 178.684 177.703 0.981 1 1 313 . 9 1 1 A 34 34 ILE N N 34 116.164 115.364 0.800 1 1 314 . 9 1 1 A 34 34 ILE H H 34 7.837 7.779 0.058 1 1 315 . 9 1 1 A 34 34 ILE CA C 34 63.143 64.228 -1.085 1 1 316 . 9 1 1 A 34 34 ILE HA H 34 3.937 3.752 0.185 1 1 317 . 9 1 1 A 34 34 ILE CB C 34 37.689 37.311 0.378 1 1 330 . 9 1 1 A 34 34 ILE C C 34 177.369 178.154 -0.785 1 1 331 . 9 1 1 A 35 35 HIS N N 35 117.537 120.689 -3.152 1 1 332 . 9 1 1 A 35 35 HIS H H 35 7.184 7.701 -0.517 1 1 333 . 9 1 1 A 35 35 HIS CA C 35 55.178 59.682 -4.504 1 1 334 . 9 1 1 A 35 35 HIS HA H 35 4.842 4.303 0.539 1 1 335 . 9 1 1 A 35 35 HIS CB C 35 28.550 31.249 -2.699 1 1 342 . 9 1 1 A 35 35 HIS C C 35 175.800 176.259 -0.459 1 1 343 . 9 1 1 A 36 36 THR N N 36 111.364 111.806 -0.442 1 1 344 . 9 1 1 A 36 36 THR H H 36 7.747 7.421 0.326 1 1 345 . 9 1 1 A 36 36 THR CA C 36 62.359 61.144 1.215 1 1 346 . 9 1 1 A 36 36 THR HA H 36 4.337 4.478 -0.141 1 1 347 . 9 1 1 A 36 36 THR CB C 36 69.835 69.372 0.463 1 1 353 . 9 1 1 A 36 36 THR C C 36 175.474 175.507 -0.033 1 1 354 . 9 1 1 A 37 37 GLY N N 37 110.552 113.282 -2.730 1 1 355 . 9 1 1 A 37 37 GLY H H 37 8.181 8.336 -0.155 1 1 356 . 9 1 1 A 37 37 GLY CA C 37 45.346 46.202 -0.856 1 1 357 . 9 1 1 A 37 37 GLY HA2 H 37 4.001 3.844 0.157 1 1 358 . 9 1 1 A 37 37 GLY HA3 H 37 3.922 3.849 0.073 1 1 359 . 9 1 1 A 37 37 GLY C C 37 174.041 174.049 -0.008 1 1 360 . 9 1 1 A 38 38 GLU N N 38 120.135 121.775 -1.640 1 1 361 . 9 1 1 A 38 38 GLU H H 38 8.080 7.689 0.391 1 1 362 . 9 1 1 A 38 38 GLU CA C 38 56.450 57.267 -0.817 1 1 363 . 9 1 1 A 38 38 GLU HA H 38 4.205 4.128 0.077 1 1 364 . 9 1 1 A 38 38 GLU CB C 38 30.467 30.303 0.164 1 1 370 . 9 1 1 A 38 38 GLU C C 38 175.932 176.111 -0.179 1 1 371 . 9 1 1 A 39 39 ASN N N 39 120.503 125.711 -5.208 1 1 372 . 9 1 1 A 39 39 ASN H H 39 8.511 8.680 -0.169 1 1 373 . 9 1 1 A 39 39 ASN CA C 39 51.313 51.917 -0.604 1 1 374 . 9 1 1 A 39 39 ASN HA H 39 4.931 4.742 0.189 1 1 375 . 9 1 1 A 39 39 ASN CB C 39 38.883 38.079 0.804 1 1 381 . 9 1 1 A 39 39 ASN C C 39 173.367 175.731 -2.364 1 1 382 . 9 1 1 A 40 40 PRO CA C 40 63.564 65.033 -1.469 1 1 383 . 9 1 1 A 40 40 PRO HA H 40 4.419 4.373 0.046 1 1 384 . 9 1 1 A 40 40 PRO CB C 40 32.140 31.926 0.214 1 1 391 . 9 1 1 A 40 40 PRO C C 40 177.061 176.600 0.461 1 1 392 . 9 1 1 A 41 41 SER N N 41 115.581 111.324 4.257 1 1 393 . 9 1 1 A 41 41 SER H H 41 8.354 7.713 0.641 1 1 394 . 9 1 1 A 41 41 SER CA C 41 58.463 57.548 0.915 1 1 395 . 9 1 1 A 41 41 SER HA H 41 4.442 4.728 -0.286 1 1 396 . 9 1 1 A 41 41 SER CB C 41 63.856 63.962 -0.106 1 1 399 . 9 1 1 A 41 41 SER C C 41 174.582 174.183 0.399 1 1 400 . 9 1 1 A 42 42 GLY N N 42 110.438 110.838 -0.400 1 1 401 . 9 1 1 A 42 42 GLY H H 42 8.097 7.725 0.372 1 1 402 . 9 1 1 A 42 42 GLY CA C 42 44.649 47.045 -2.396 1 1 403 . 9 1 1 A 42 42 GLY HA2 H 42 4.121 3.897 0.224 1 1 404 . 9 1 1 A 42 42 GLY HA3 H 42 4.072 3.898 0.174 1 1 405 . 9 1 1 A 42 42 GLY C C 42 171.675 173.930 -2.255 1 1 406 . 9 1 1 A 43 43 PRO CA C 43 63.436 62.432 1.004 1 1 407 . 9 1 1 A 43 43 PRO HA H 43 4.421 4.535 -0.114 1 1 408 . 9 1 1 A 43 43 PRO CB C 43 32.168 33.066 -0.898 1 1 417 . 9 1 1 A 43 43 PRO C C 43 177.358 176.615 0.743 1 1 418 . 9 1 1 A 44 44 SER N N 44 116.459 115.605 0.854 1 1 419 . 9 1 1 A 44 44 SER H H 44 8.513 8.679 -0.166 1 1 420 . 9 1 1 A 44 44 SER CA C 44 58.367 61.197 -2.830 1 1 421 . 9 1 1 A 44 44 SER HA H 44 4.465 4.120 0.345 1 1 422 . 9 1 1 A 44 44 SER CB C 44 63.692 63.112 0.580 1 1 425 . 9 1 1 A 44 44 SER C C 44 174.649 176.439 -1.790 1 1 426 . 9 1 1 A 45 45 SER N N 45 117.890 115.939 1.951 1 1 427 . 9 1 1 A 45 45 SER H H 45 8.318 8.042 0.276 1 1 1 . 10 1 1 A 8 8 THR CA C 8 61.809 64.720 -2.911 1 1 2 . 10 1 1 A 8 8 THR HA H 8 4.339 3.934 0.405 1 1 3 . 10 1 1 A 8 8 THR CB C 8 69.833 68.033 1.800 1 1 9 . 10 1 1 A 8 8 THR C C 8 175.270 175.548 -0.278 1 1 10 . 10 1 1 A 9 9 GLY N N 9 111.063 115.153 -4.090 1 1 11 . 10 1 1 A 9 9 GLY H H 9 8.444 8.328 0.116 1 1 12 . 10 1 1 A 9 9 GLY CA C 9 45.198 46.164 -0.966 1 1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.925 3.974 -0.049 1 1 14 . 10 1 1 A 9 9 GLY HA3 H 9 3.888 3.975 -0.087 1 1 15 . 10 1 1 A 9 9 GLY C C 9 174.015 174.844 -0.829 1 1 16 . 10 1 1 A 10 10 GLU N N 10 120.294 121.605 -1.311 1 1 17 . 10 1 1 A 10 10 GLU H H 10 8.193 8.195 -0.002 1 1 18 . 10 1 1 A 10 10 GLU CA C 10 56.635 57.680 -1.045 1 1 19 . 10 1 1 A 10 10 GLU HA H 10 4.170 4.163 0.007 1 1 20 . 10 1 1 A 10 10 GLU CB C 10 30.501 30.343 0.158 1 1 26 . 10 1 1 A 10 10 GLU C C 10 176.395 175.792 0.603 1 1 27 . 10 1 1 A 11 11 LYS N N 11 122.626 123.769 -1.143 1 1 28 . 10 1 1 A 11 11 LYS H H 11 8.329 8.594 -0.265 1 1 29 . 10 1 1 A 11 11 LYS CA C 11 53.922 53.275 0.647 1 1 30 . 10 1 1 A 11 11 LYS HA H 11 4.446 4.749 -0.303 1 1 31 . 10 1 1 A 11 11 LYS CB C 11 32.479 33.078 -0.599 1 1 43 . 10 1 1 A 11 11 LYS C C 11 174.018 176.391 -2.373 1 1 44 . 10 1 1 A 12 12 PRO CA C 12 63.321 63.770 -0.449 1 1 45 . 10 1 1 A 12 12 PRO HA H 12 4.283 4.303 -0.020 1 1 46 . 10 1 1 A 12 12 PRO CB C 12 32.313 31.142 1.171 1 1 55 . 10 1 1 A 12 12 PRO C C 12 176.149 175.914 0.235 1 1 56 . 10 1 1 A 13 13 HIS N N 13 119.256 117.014 2.242 1 1 57 . 10 1 1 A 13 13 HIS H H 13 8.026 7.430 0.596 1 1 58 . 10 1 1 A 13 13 HIS CA C 13 55.275 54.899 0.376 1 1 59 . 10 1 1 A 13 13 HIS HA H 13 4.602 5.084 -0.482 1 1 60 . 10 1 1 A 13 13 HIS CB C 13 30.264 32.131 -1.867 1 1 67 . 10 1 1 A 13 13 HIS C C 13 174.072 173.642 0.430 1 1 68 . 10 1 1 A 14 14 GLU N N 14 124.697 125.461 -0.764 1 1 69 . 10 1 1 A 14 14 GLU H H 14 8.462 9.293 -0.831 1 1 70 . 10 1 1 A 14 14 GLU CA C 14 55.194 54.721 0.473 1 1 71 . 10 1 1 A 14 14 GLU HA H 14 4.702 5.349 -0.647 1 1 72 . 10 1 1 A 14 14 GLU CB C 14 32.794 33.229 -0.435 1 1 78 . 10 1 1 A 14 14 GLU C C 14 175.024 175.114 -0.090 1 1 79 . 10 1 1 A 15 15 CYS N N 15 126.805 124.936 1.869 1 1 80 . 10 1 1 A 15 15 CYS H H 15 9.220 9.272 -0.052 1 1 81 . 10 1 1 A 15 15 CYS CA C 15 59.261 57.876 1.385 1 1 82 . 10 1 1 A 15 15 CYS HA H 15 4.564 4.852 -0.288 1 1 83 . 10 1 1 A 15 15 CYS CB C 15 29.450 29.031 0.419 1 1 86 . 10 1 1 A 15 15 CYS C C 15 177.227 175.691 1.536 1 1 87 . 10 1 1 A 16 16 ARG N N 16 114.338 128.093 -13.755 1 1 88 . 10 1 1 A 16 16 ARG H H 16 9.348 8.799 0.549 1 1 89 . 10 1 1 A 16 16 ARG CA C 16 58.121 58.643 -0.522 1 1 90 . 10 1 1 A 16 16 ARG HA H 16 4.164 4.050 0.114 1 1 91 . 10 1 1 A 16 16 ARG CB C 16 29.789 30.245 -0.456 1 1 99 . 10 1 1 A 16 16 ARG C C 16 176.716 177.962 -1.246 1 1 100 . 10 1 1 A 17 17 GLU N N 17 119.673 117.815 1.858 1 1 101 . 10 1 1 A 17 17 GLU H H 17 8.516 7.965 0.551 1 1 102 . 10 1 1 A 17 17 GLU CA C 17 58.332 58.613 -0.281 1 1 103 . 10 1 1 A 17 17 GLU HA H 17 4.146 3.886 0.260 1 1 104 . 10 1 1 A 17 17 GLU CB C 17 29.305 29.034 0.271 1 1 110 . 10 1 1 A 17 17 GLU C C 17 177.290 178.057 -0.767 1 1 111 . 10 1 1 A 18 18 CYS N N 18 114.190 114.821 -0.631 1 1 112 . 10 1 1 A 18 18 CYS H H 18 7.848 7.962 -0.114 1 1 113 . 10 1 1 A 18 18 CYS CA C 18 58.352 59.429 -1.077 1 1 114 . 10 1 1 A 18 18 CYS HA H 18 5.141 4.723 0.418 1 1 115 . 10 1 1 A 18 18 CYS CB C 18 32.546 30.102 2.444 1 1 118 . 10 1 1 A 18 18 CYS C C 18 176.195 175.660 0.535 1 1 119 . 10 1 1 A 19 19 GLY N N 19 113.563 110.086 3.477 1 1 120 . 10 1 1 A 19 19 GLY H H 19 8.233 7.992 0.241 1 1 121 . 10 1 1 A 19 19 GLY CA C 19 46.147 45.013 1.134 1 1 122 . 10 1 1 A 19 19 GLY HA2 H 19 3.839 4.085 -0.246 1 1 123 . 10 1 1 A 19 19 GLY HA3 H 19 4.195 4.097 0.098 1 1 124 . 10 1 1 A 19 19 GLY C C 19 173.979 174.663 -0.684 1 1 125 . 10 1 1 A 20 20 LYS N N 20 122.714 121.022 1.692 1 1 126 . 10 1 1 A 20 20 LYS H H 20 7.906 7.481 0.425 1 1 127 . 10 1 1 A 20 20 LYS CA C 20 57.773 56.412 1.361 1 1 128 . 10 1 1 A 20 20 LYS HA H 20 4.016 4.241 -0.225 1 1 129 . 10 1 1 A 20 20 LYS CB C 20 33.694 33.848 -0.154 1 1 141 . 10 1 1 A 20 20 LYS C C 20 174.181 175.371 -1.190 1 1 142 . 10 1 1 A 21 21 SER N N 21 114.889 112.540 2.349 1 1 143 . 10 1 1 A 21 21 SER H H 21 7.770 8.101 -0.331 1 1 144 . 10 1 1 A 21 21 SER CA C 21 56.643 56.733 -0.090 1 1 145 . 10 1 1 A 21 21 SER HA H 21 5.178 5.451 -0.273 1 1 146 . 10 1 1 A 21 21 SER CB C 21 65.863 65.827 0.036 1 1 149 . 10 1 1 A 21 21 SER C C 21 173.075 172.838 0.237 1 1 150 . 10 1 1 A 22 22 PHE N N 22 118.070 120.450 -2.380 1 1 151 . 10 1 1 A 22 22 PHE H H 22 8.425 9.265 -0.840 1 1 152 . 10 1 1 A 22 22 PHE CA C 22 57.274 56.530 0.744 1 1 153 . 10 1 1 A 22 22 PHE HA H 22 4.717 5.101 -0.384 1 1 154 . 10 1 1 A 22 22 PHE CB C 22 43.580 41.956 1.624 1 1 167 . 10 1 1 A 22 22 PHE C C 22 175.562 175.993 -0.431 1 1 168 . 10 1 1 A 23 23 SER N N 23 117.719 119.851 -2.132 1 1 169 . 10 1 1 A 23 23 SER H H 23 8.890 8.966 -0.076 1 1 170 . 10 1 1 A 23 23 SER CA C 23 61.814 60.887 0.927 1 1 171 . 10 1 1 A 23 23 SER HA H 23 4.259 4.406 -0.147 1 1 172 . 10 1 1 A 23 23 SER CB C 23 63.470 63.340 0.130 1 1 175 . 10 1 1 A 23 23 SER C C 23 173.419 173.929 -0.510 1 1 176 . 10 1 1 A 24 24 PHE N N 24 114.646 118.622 -3.976 1 1 177 . 10 1 1 A 24 24 PHE H H 24 7.747 8.365 -0.618 1 1 178 . 10 1 1 A 24 24 PHE CA C 24 55.800 56.590 -0.790 1 1 179 . 10 1 1 A 24 24 PHE HA H 24 4.891 5.209 -0.318 1 1 180 . 10 1 1 A 24 24 PHE CB C 24 42.497 41.853 0.644 1 1 193 . 10 1 1 A 24 24 PHE C C 24 176.175 175.644 0.531 1 1 194 . 10 1 1 A 25 25 ASN CA C 25 56.980 55.740 1.240 1 1 195 . 10 1 1 A 25 25 ASN HA H 25 3.746 3.561 0.185 1 1 196 . 10 1 1 A 25 25 ASN CB C 25 38.999 38.120 0.879 1 1 202 . 10 1 1 A 26 26 SER CA C 26 61.136 62.044 -0.908 1 1 203 . 10 1 1 A 26 26 SER HA H 26 3.884 4.145 -0.261 1 1 204 . 10 1 1 A 26 26 SER CB C 26 61.259 62.980 -1.721 1 1 207 . 10 1 1 A 26 26 SER C C 26 176.598 176.717 -0.119 1 1 208 . 10 1 1 A 27 27 GLN N N 27 119.387 121.428 -2.041 1 1 209 . 10 1 1 A 27 27 GLN H H 27 6.763 7.974 -1.211 1 1 210 . 10 1 1 A 27 27 GLN CA C 27 57.426 58.635 -1.209 1 1 211 . 10 1 1 A 27 27 GLN HA H 27 3.946 3.912 0.034 1 1 212 . 10 1 1 A 27 27 GLN CB C 27 28.943 28.563 0.380 1 1 221 . 10 1 1 A 27 27 GLN C C 27 178.638 177.590 1.048 1 1 222 . 10 1 1 A 28 28 LEU N N 28 122.438 120.994 1.444 1 1 223 . 10 1 1 A 28 28 LEU H H 28 6.991 7.427 -0.436 1 1 224 . 10 1 1 A 28 28 LEU CA C 28 57.746 56.999 0.747 1 1 225 . 10 1 1 A 28 28 LEU HA H 28 3.313 2.617 0.696 1 1 226 . 10 1 1 A 28 28 LEU CB C 28 40.505 41.791 -1.286 1 1 239 . 10 1 1 A 28 28 LEU C C 28 177.395 178.495 -1.100 1 1 240 . 10 1 1 A 29 29 ILE N N 29 118.379 118.766 -0.387 1 1 241 . 10 1 1 A 29 29 ILE H H 29 7.976 7.639 0.337 1 1 242 . 10 1 1 A 29 29 ILE CA C 29 64.459 64.426 0.033 1 1 243 . 10 1 1 A 29 29 ILE HA H 29 3.726 3.704 0.022 1 1 244 . 10 1 1 A 29 29 ILE CB C 29 37.373 37.456 -0.083 1 1 257 . 10 1 1 A 29 29 ILE C C 29 178.970 178.188 0.782 1 1 258 . 10 1 1 A 30 30 VAL N N 30 118.496 120.740 -2.244 1 1 259 . 10 1 1 A 30 30 VAL H H 30 7.047 7.876 -0.829 1 1 260 . 10 1 1 A 30 30 VAL CA C 30 66.457 66.120 0.337 1 1 261 . 10 1 1 A 30 30 VAL HA H 30 3.491 3.562 -0.071 1 1 262 . 10 1 1 A 30 30 VAL CB C 30 32.038 31.124 0.914 1 1 272 . 10 1 1 A 30 30 VAL C C 30 178.763 178.117 0.646 1 1 273 . 10 1 1 A 31 31 HIS N N 31 119.928 120.082 -0.154 1 1 274 . 10 1 1 A 31 31 HIS H H 31 7.577 7.763 -0.186 1 1 275 . 10 1 1 A 31 31 HIS CA C 31 59.301 59.261 0.040 1 1 276 . 10 1 1 A 31 31 HIS HA H 31 4.113 4.202 -0.089 1 1 277 . 10 1 1 A 31 31 HIS CB C 31 28.544 29.916 -1.372 1 1 284 . 10 1 1 A 31 31 HIS C C 31 176.226 177.388 -1.162 1 1 285 . 10 1 1 A 32 32 GLN N N 32 114.793 118.160 -3.367 1 1 286 . 10 1 1 A 32 32 GLN H H 32 8.456 8.280 0.176 1 1 287 . 10 1 1 A 32 32 GLN CA C 32 59.269 58.852 0.417 1 1 288 . 10 1 1 A 32 32 GLN HA H 32 3.645 3.833 -0.188 1 1 289 . 10 1 1 A 32 32 GLN CB C 32 28.282 28.321 -0.039 1 1 298 . 10 1 1 A 32 32 GLN C C 32 177.376 178.408 -1.032 1 1 299 . 10 1 1 A 33 33 ARG N N 33 117.873 118.201 -0.328 1 1 300 . 10 1 1 A 33 33 ARG H H 33 7.186 7.777 -0.591 1 1 301 . 10 1 1 A 33 33 ARG CA C 33 58.401 58.237 0.164 1 1 302 . 10 1 1 A 33 33 ARG HA H 33 4.125 4.062 0.063 1 1 303 . 10 1 1 A 33 33 ARG CB C 33 30.016 29.968 0.048 1 1 312 . 10 1 1 A 33 33 ARG C C 33 178.684 177.706 0.978 1 1 313 . 10 1 1 A 34 34 ILE N N 34 116.164 115.298 0.866 1 1 314 . 10 1 1 A 34 34 ILE H H 34 7.837 7.784 0.053 1 1 315 . 10 1 1 A 34 34 ILE CA C 34 63.143 64.165 -1.022 1 1 316 . 10 1 1 A 34 34 ILE HA H 34 3.937 3.767 0.170 1 1 317 . 10 1 1 A 34 34 ILE CB C 34 37.689 37.377 0.312 1 1 330 . 10 1 1 A 34 34 ILE C C 34 177.369 178.077 -0.708 1 1 331 . 10 1 1 A 35 35 HIS N N 35 117.537 120.122 -2.585 1 1 332 . 10 1 1 A 35 35 HIS H H 35 7.184 7.868 -0.684 1 1 333 . 10 1 1 A 35 35 HIS CA C 35 55.178 59.679 -4.501 1 1 334 . 10 1 1 A 35 35 HIS HA H 35 4.842 4.336 0.506 1 1 335 . 10 1 1 A 35 35 HIS CB C 35 28.550 31.052 -2.502 1 1 342 . 10 1 1 A 35 35 HIS C C 35 175.800 176.364 -0.564 1 1 343 . 10 1 1 A 36 36 THR N N 36 111.364 110.523 0.841 1 1 344 . 10 1 1 A 36 36 THR H H 36 7.747 7.755 -0.008 1 1 345 . 10 1 1 A 36 36 THR CA C 36 62.359 61.351 1.008 1 1 346 . 10 1 1 A 36 36 THR HA H 36 4.337 4.457 -0.120 1 1 347 . 10 1 1 A 36 36 THR CB C 36 69.835 69.319 0.516 1 1 353 . 10 1 1 A 36 36 THR C C 36 175.474 175.052 0.422 1 1 354 . 10 1 1 A 37 37 GLY N N 37 110.552 108.787 1.765 1 1 355 . 10 1 1 A 37 37 GLY H H 37 8.181 7.493 0.688 1 1 356 . 10 1 1 A 37 37 GLY CA C 37 45.346 45.674 -0.328 1 1 357 . 10 1 1 A 37 37 GLY HA2 H 37 4.001 4.050 -0.049 1 1 358 . 10 1 1 A 37 37 GLY HA3 H 37 3.922 4.059 -0.137 1 1 359 . 10 1 1 A 37 37 GLY C C 37 174.041 173.541 0.500 1 1 360 . 10 1 1 A 38 38 GLU N N 38 120.135 119.575 0.560 1 1 361 . 10 1 1 A 38 38 GLU H H 38 8.080 7.655 0.425 1 1 362 . 10 1 1 A 38 38 GLU CA C 38 56.450 56.173 0.277 1 1 363 . 10 1 1 A 38 38 GLU HA H 38 4.205 4.640 -0.435 1 1 364 . 10 1 1 A 38 38 GLU CB C 38 30.467 32.779 -2.312 1 1 370 . 10 1 1 A 38 38 GLU C C 38 175.932 174.046 1.886 1 1 371 . 10 1 1 A 39 39 ASN N N 39 120.503 125.606 -5.103 1 1 372 . 10 1 1 A 39 39 ASN H H 39 8.511 8.773 -0.262 1 1 373 . 10 1 1 A 39 39 ASN CA C 39 51.313 50.354 0.959 1 1 374 . 10 1 1 A 39 39 ASN HA H 39 4.931 5.235 -0.304 1 1 375 . 10 1 1 A 39 39 ASN CB C 39 38.883 39.009 -0.126 1 1 381 . 10 1 1 A 39 39 ASN C C 39 173.367 173.670 -0.303 1 1 382 . 10 1 1 A 40 40 PRO CA C 40 63.564 64.930 -1.366 1 1 383 . 10 1 1 A 40 40 PRO HA H 40 4.419 4.303 0.116 1 1 384 . 10 1 1 A 40 40 PRO CB C 40 32.140 32.140 0.000 1 1 391 . 10 1 1 A 40 40 PRO C C 40 177.061 177.859 -0.798 1 1 392 . 10 1 1 A 41 41 SER N N 41 115.581 111.370 4.211 1 1 393 . 10 1 1 A 41 41 SER H H 41 8.354 8.378 -0.024 1 1 394 . 10 1 1 A 41 41 SER CA C 41 58.463 59.305 -0.842 1 1 395 . 10 1 1 A 41 41 SER HA H 41 4.442 4.740 -0.298 1 1 396 . 10 1 1 A 41 41 SER CB C 41 63.856 65.696 -1.840 1 1 399 . 10 1 1 A 41 41 SER C C 41 174.582 174.467 0.115 1 1 400 . 10 1 1 A 42 42 GLY N N 42 110.438 107.778 2.660 1 1 401 . 10 1 1 A 42 42 GLY H H 42 8.097 7.343 0.754 1 1 402 . 10 1 1 A 42 42 GLY CA C 42 44.649 45.605 -0.956 1 1 403 . 10 1 1 A 42 42 GLY HA2 H 42 4.121 4.185 -0.064 1 1 404 . 10 1 1 A 42 42 GLY HA3 H 42 4.072 4.185 -0.113 1 1 405 . 10 1 1 A 42 42 GLY C C 42 171.675 171.937 -0.262 1 1 406 . 10 1 1 A 43 43 PRO CA C 43 63.436 62.434 1.002 1 1 407 . 10 1 1 A 43 43 PRO HA H 43 4.421 4.612 -0.191 1 1 408 . 10 1 1 A 43 43 PRO CB C 43 32.168 33.023 -0.855 1 1 417 . 10 1 1 A 43 43 PRO C C 43 177.358 176.855 0.503 1 1 418 . 10 1 1 A 44 44 SER N N 44 116.459 115.880 0.579 1 1 419 . 10 1 1 A 44 44 SER H H 44 8.513 8.390 0.123 1 1 420 . 10 1 1 A 44 44 SER CA C 44 58.367 57.207 1.160 1 1 421 . 10 1 1 A 44 44 SER HA H 44 4.465 4.678 -0.213 1 1 422 . 10 1 1 A 44 44 SER CB C 44 63.692 64.109 -0.417 1 1 425 . 10 1 1 A 44 44 SER C C 44 174.649 175.291 -0.642 1 1 426 . 10 1 1 A 45 45 SER N N 45 117.890 117.484 0.406 1 1 427 . 10 1 1 A 45 45 SER H H 45 8.318 8.583 -0.265 1 1 1 . 11 1 1 A 8 8 THR CA C 8 61.809 63.651 -1.842 1 1 2 . 11 1 1 A 8 8 THR HA H 8 4.339 4.083 0.256 1 1 3 . 11 1 1 A 8 8 THR CB C 8 69.833 69.610 0.223 1 1 9 . 11 1 1 A 8 8 THR C C 8 175.270 174.606 0.664 1 1 10 . 11 1 1 A 9 9 GLY N N 9 111.063 109.661 1.402 1 1 11 . 11 1 1 A 9 9 GLY H H 9 8.444 7.659 0.785 1 1 12 . 11 1 1 A 9 9 GLY CA C 9 45.198 44.709 0.489 1 1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.925 4.007 -0.082 1 1 14 . 11 1 1 A 9 9 GLY HA3 H 9 3.888 4.008 -0.120 1 1 15 . 11 1 1 A 9 9 GLY C C 9 174.015 172.856 1.159 1 1 16 . 11 1 1 A 10 10 GLU N N 10 120.294 121.877 -1.583 1 1 17 . 11 1 1 A 10 10 GLU H H 10 8.193 8.628 -0.435 1 1 18 . 11 1 1 A 10 10 GLU CA C 10 56.635 55.275 1.360 1 1 19 . 11 1 1 A 10 10 GLU HA H 10 4.170 5.040 -0.870 1 1 20 . 11 1 1 A 10 10 GLU CB C 10 30.501 31.895 -1.394 1 1 26 . 11 1 1 A 10 10 GLU C C 10 176.395 175.409 0.986 1 1 27 . 11 1 1 A 11 11 LYS N N 11 122.626 120.560 2.066 1 1 28 . 11 1 1 A 11 11 LYS H H 11 8.329 8.363 -0.034 1 1 29 . 11 1 1 A 11 11 LYS CA C 11 53.922 53.148 0.774 1 1 30 . 11 1 1 A 11 11 LYS HA H 11 4.446 4.753 -0.307 1 1 31 . 11 1 1 A 11 11 LYS CB C 11 32.479 33.566 -1.087 1 1 43 . 11 1 1 A 11 11 LYS C C 11 174.018 176.198 -2.180 1 1 44 . 11 1 1 A 12 12 PRO CA C 12 63.321 63.685 -0.364 1 1 45 . 11 1 1 A 12 12 PRO HA H 12 4.283 4.314 -0.031 1 1 46 . 11 1 1 A 12 12 PRO CB C 12 32.313 31.045 1.268 1 1 55 . 11 1 1 A 12 12 PRO C C 12 176.149 175.872 0.277 1 1 56 . 11 1 1 A 13 13 HIS N N 13 119.256 117.008 2.248 1 1 57 . 11 1 1 A 13 13 HIS H H 13 8.026 7.416 0.610 1 1 58 . 11 1 1 A 13 13 HIS CA C 13 55.275 54.894 0.381 1 1 59 . 11 1 1 A 13 13 HIS HA H 13 4.602 5.081 -0.479 1 1 60 . 11 1 1 A 13 13 HIS CB C 13 30.264 32.061 -1.797 1 1 67 . 11 1 1 A 13 13 HIS C C 13 174.072 173.589 0.483 1 1 68 . 11 1 1 A 14 14 GLU N N 14 124.697 125.602 -0.905 1 1 69 . 11 1 1 A 14 14 GLU H H 14 8.462 9.292 -0.830 1 1 70 . 11 1 1 A 14 14 GLU CA C 14 55.194 54.724 0.470 1 1 71 . 11 1 1 A 14 14 GLU HA H 14 4.702 5.325 -0.623 1 1 72 . 11 1 1 A 14 14 GLU CB C 14 32.794 33.081 -0.287 1 1 78 . 11 1 1 A 14 14 GLU C C 14 175.024 175.285 -0.261 1 1 79 . 11 1 1 A 15 15 CYS N N 15 126.805 125.004 1.801 1 1 80 . 11 1 1 A 15 15 CYS H H 15 9.220 9.277 -0.057 1 1 81 . 11 1 1 A 15 15 CYS CA C 15 59.261 57.922 1.339 1 1 82 . 11 1 1 A 15 15 CYS HA H 15 4.564 4.695 -0.131 1 1 83 . 11 1 1 A 15 15 CYS CB C 15 29.450 27.466 1.984 1 1 86 . 11 1 1 A 15 15 CYS C C 15 177.227 175.474 1.753 1 1 87 . 11 1 1 A 16 16 ARG N N 16 114.338 127.171 -12.833 1 1 88 . 11 1 1 A 16 16 ARG H H 16 9.348 8.718 0.630 1 1 89 . 11 1 1 A 16 16 ARG CA C 16 58.121 58.561 -0.440 1 1 90 . 11 1 1 A 16 16 ARG HA H 16 4.164 4.151 0.013 1 1 91 . 11 1 1 A 16 16 ARG CB C 16 29.789 29.900 -0.111 1 1 99 . 11 1 1 A 16 16 ARG C C 16 176.716 178.453 -1.737 1 1 100 . 11 1 1 A 17 17 GLU N N 17 119.673 118.482 1.191 1 1 101 . 11 1 1 A 17 17 GLU H H 17 8.516 7.883 0.633 1 1 102 . 11 1 1 A 17 17 GLU CA C 17 58.332 58.892 -0.560 1 1 103 . 11 1 1 A 17 17 GLU HA H 17 4.146 3.939 0.207 1 1 104 . 11 1 1 A 17 17 GLU CB C 17 29.305 29.362 -0.057 1 1 110 . 11 1 1 A 17 17 GLU C C 17 177.290 177.942 -0.652 1 1 111 . 11 1 1 A 18 18 CYS N N 18 114.190 114.929 -0.739 1 1 112 . 11 1 1 A 18 18 CYS H H 18 7.848 7.972 -0.124 1 1 113 . 11 1 1 A 18 18 CYS CA C 18 58.352 59.555 -1.203 1 1 114 . 11 1 1 A 18 18 CYS HA H 18 5.141 4.703 0.438 1 1 115 . 11 1 1 A 18 18 CYS CB C 18 32.546 30.067 2.479 1 1 118 . 11 1 1 A 18 18 CYS C C 18 176.195 175.498 0.697 1 1 119 . 11 1 1 A 19 19 GLY N N 19 113.563 109.854 3.709 1 1 120 . 11 1 1 A 19 19 GLY H H 19 8.233 8.090 0.143 1 1 121 . 11 1 1 A 19 19 GLY CA C 19 46.147 45.010 1.137 1 1 122 . 11 1 1 A 19 19 GLY HA2 H 19 3.839 4.088 -0.249 1 1 123 . 11 1 1 A 19 19 GLY HA3 H 19 4.195 4.099 0.096 1 1 124 . 11 1 1 A 19 19 GLY C C 19 173.979 174.693 -0.714 1 1 125 . 11 1 1 A 20 20 LYS N N 20 122.714 121.191 1.523 1 1 126 . 11 1 1 A 20 20 LYS H H 20 7.906 7.453 0.453 1 1 127 . 11 1 1 A 20 20 LYS CA C 20 57.773 56.417 1.356 1 1 128 . 11 1 1 A 20 20 LYS HA H 20 4.016 4.231 -0.215 1 1 129 . 11 1 1 A 20 20 LYS CB C 20 33.694 33.806 -0.112 1 1 141 . 11 1 1 A 20 20 LYS C C 20 174.181 175.374 -1.193 1 1 142 . 11 1 1 A 21 21 SER N N 21 114.889 112.552 2.337 1 1 143 . 11 1 1 A 21 21 SER H H 21 7.770 8.087 -0.317 1 1 144 . 11 1 1 A 21 21 SER CA C 21 56.643 56.742 -0.099 1 1 145 . 11 1 1 A 21 21 SER HA H 21 5.178 5.453 -0.275 1 1 146 . 11 1 1 A 21 21 SER CB C 21 65.863 65.778 0.085 1 1 149 . 11 1 1 A 21 21 SER C C 21 173.075 172.846 0.229 1 1 150 . 11 1 1 A 22 22 PHE N N 22 118.070 120.484 -2.414 1 1 151 . 11 1 1 A 22 22 PHE H H 22 8.425 9.318 -0.893 1 1 152 . 11 1 1 A 22 22 PHE CA C 22 57.274 56.413 0.861 1 1 153 . 11 1 1 A 22 22 PHE HA H 22 4.717 5.011 -0.294 1 1 154 . 11 1 1 A 22 22 PHE CB C 22 43.580 41.876 1.704 1 1 167 . 11 1 1 A 22 22 PHE C C 22 175.562 176.202 -0.640 1 1 168 . 11 1 1 A 23 23 SER N N 23 117.719 118.595 -0.876 1 1 169 . 11 1 1 A 23 23 SER H H 23 8.890 8.810 0.080 1 1 170 . 11 1 1 A 23 23 SER CA C 23 61.814 62.396 -0.582 1 1 171 . 11 1 1 A 23 23 SER HA H 23 4.259 4.318 -0.059 1 1 172 . 11 1 1 A 23 23 SER CB C 23 63.470 62.987 0.483 1 1 175 . 11 1 1 A 23 23 SER C C 23 173.419 174.706 -1.287 1 1 176 . 11 1 1 A 24 24 PHE N N 24 114.646 118.194 -3.548 1 1 177 . 11 1 1 A 24 24 PHE H H 24 7.747 8.303 -0.556 1 1 178 . 11 1 1 A 24 24 PHE CA C 24 55.800 56.685 -0.885 1 1 179 . 11 1 1 A 24 24 PHE HA H 24 4.891 5.161 -0.270 1 1 180 . 11 1 1 A 24 24 PHE CB C 24 42.497 41.924 0.573 1 1 193 . 11 1 1 A 24 24 PHE C C 24 176.175 175.568 0.607 1 1 194 . 11 1 1 A 25 25 ASN CA C 25 56.980 55.831 1.149 1 1 195 . 11 1 1 A 25 25 ASN HA H 25 3.746 3.625 0.121 1 1 196 . 11 1 1 A 25 25 ASN CB C 25 38.999 38.140 0.859 1 1 202 . 11 1 1 A 26 26 SER CA C 26 61.136 61.811 -0.675 1 1 203 . 11 1 1 A 26 26 SER HA H 26 3.884 4.180 -0.296 1 1 204 . 11 1 1 A 26 26 SER CB C 26 61.259 62.745 -1.486 1 1 207 . 11 1 1 A 26 26 SER C C 26 176.598 176.916 -0.318 1 1 208 . 11 1 1 A 27 27 GLN N N 27 119.387 122.289 -2.902 1 1 209 . 11 1 1 A 27 27 GLN H H 27 6.763 7.877 -1.114 1 1 210 . 11 1 1 A 27 27 GLN CA C 27 57.426 58.776 -1.350 1 1 211 . 11 1 1 A 27 27 GLN HA H 27 3.946 3.956 -0.010 1 1 212 . 11 1 1 A 27 27 GLN CB C 27 28.943 28.661 0.282 1 1 221 . 11 1 1 A 27 27 GLN C C 27 178.638 177.569 1.069 1 1 222 . 11 1 1 A 28 28 LEU N N 28 122.438 120.977 1.461 1 1 223 . 11 1 1 A 28 28 LEU H H 28 6.991 7.385 -0.394 1 1 224 . 11 1 1 A 28 28 LEU CA C 28 57.746 57.023 0.723 1 1 225 . 11 1 1 A 28 28 LEU HA H 28 3.313 2.565 0.748 1 1 226 . 11 1 1 A 28 28 LEU CB C 28 40.505 41.698 -1.193 1 1 239 . 11 1 1 A 28 28 LEU C C 28 177.395 178.472 -1.077 1 1 240 . 11 1 1 A 29 29 ILE N N 29 118.379 118.682 -0.303 1 1 241 . 11 1 1 A 29 29 ILE H H 29 7.976 7.704 0.272 1 1 242 . 11 1 1 A 29 29 ILE CA C 29 64.459 64.768 -0.309 1 1 243 . 11 1 1 A 29 29 ILE HA H 29 3.726 3.646 0.080 1 1 244 . 11 1 1 A 29 29 ILE CB C 29 37.373 37.464 -0.091 1 1 257 . 11 1 1 A 29 29 ILE C C 29 178.970 178.070 0.900 1 1 258 . 11 1 1 A 30 30 VAL N N 30 118.496 120.491 -1.995 1 1 259 . 11 1 1 A 30 30 VAL H H 30 7.047 7.920 -0.873 1 1 260 . 11 1 1 A 30 30 VAL CA C 30 66.457 66.132 0.325 1 1 261 . 11 1 1 A 30 30 VAL HA H 30 3.491 3.567 -0.076 1 1 262 . 11 1 1 A 30 30 VAL CB C 30 32.038 31.260 0.778 1 1 272 . 11 1 1 A 30 30 VAL C C 30 178.763 178.086 0.677 1 1 273 . 11 1 1 A 31 31 HIS N N 31 119.928 120.029 -0.101 1 1 274 . 11 1 1 A 31 31 HIS H H 31 7.577 7.709 -0.132 1 1 275 . 11 1 1 A 31 31 HIS CA C 31 59.301 59.430 -0.129 1 1 276 . 11 1 1 A 31 31 HIS HA H 31 4.113 4.204 -0.091 1 1 277 . 11 1 1 A 31 31 HIS CB C 31 28.544 29.967 -1.423 1 1 284 . 11 1 1 A 31 31 HIS C C 31 176.226 177.339 -1.113 1 1 285 . 11 1 1 A 32 32 GLN N N 32 114.793 118.217 -3.424 1 1 286 . 11 1 1 A 32 32 GLN H H 32 8.456 8.315 0.141 1 1 287 . 11 1 1 A 32 32 GLN CA C 32 59.269 58.835 0.434 1 1 288 . 11 1 1 A 32 32 GLN HA H 32 3.645 3.801 -0.156 1 1 289 . 11 1 1 A 32 32 GLN CB C 32 28.282 28.354 -0.072 1 1 298 . 11 1 1 A 32 32 GLN C C 32 177.376 178.407 -1.031 1 1 299 . 11 1 1 A 33 33 ARG N N 33 117.873 118.207 -0.334 1 1 300 . 11 1 1 A 33 33 ARG H H 33 7.186 7.764 -0.578 1 1 301 . 11 1 1 A 33 33 ARG CA C 33 58.401 58.212 0.189 1 1 302 . 11 1 1 A 33 33 ARG HA H 33 4.125 4.051 0.074 1 1 303 . 11 1 1 A 33 33 ARG CB C 33 30.016 29.972 0.044 1 1 312 . 11 1 1 A 33 33 ARG C C 33 178.684 177.728 0.956 1 1 313 . 11 1 1 A 34 34 ILE N N 34 116.164 114.998 1.166 1 1 314 . 11 1 1 A 34 34 ILE H H 34 7.837 7.800 0.037 1 1 315 . 11 1 1 A 34 34 ILE CA C 34 63.143 64.194 -1.051 1 1 316 . 11 1 1 A 34 34 ILE HA H 34 3.937 3.744 0.193 1 1 317 . 11 1 1 A 34 34 ILE CB C 34 37.689 37.332 0.357 1 1 330 . 11 1 1 A 34 34 ILE C C 34 177.369 178.095 -0.726 1 1 331 . 11 1 1 A 35 35 HIS N N 35 117.537 121.002 -3.465 1 1 332 . 11 1 1 A 35 35 HIS H H 35 7.184 7.779 -0.595 1 1 333 . 11 1 1 A 35 35 HIS CA C 35 55.178 59.424 -4.246 1 1 334 . 11 1 1 A 35 35 HIS HA H 35 4.842 4.388 0.454 1 1 335 . 11 1 1 A 35 35 HIS CB C 35 28.550 29.736 -1.186 1 1 342 . 11 1 1 A 35 35 HIS C C 35 175.800 178.111 -2.311 1 1 343 . 11 1 1 A 36 36 THR N N 36 111.364 113.248 -1.884 1 1 344 . 11 1 1 A 36 36 THR H H 36 7.747 7.834 -0.087 1 1 345 . 11 1 1 A 36 36 THR CA C 36 62.359 65.520 -3.161 1 1 346 . 11 1 1 A 36 36 THR HA H 36 4.337 3.943 0.394 1 1 347 . 11 1 1 A 36 36 THR CB C 36 69.835 68.772 1.063 1 1 353 . 11 1 1 A 36 36 THR C C 36 175.474 176.646 -1.172 1 1 354 . 11 1 1 A 37 37 GLY N N 37 110.552 107.819 2.733 1 1 355 . 11 1 1 A 37 37 GLY H H 37 8.181 8.146 0.035 1 1 356 . 11 1 1 A 37 37 GLY CA C 37 45.346 47.007 -1.661 1 1 357 . 11 1 1 A 37 37 GLY HA2 H 37 4.001 3.708 0.293 1 1 358 . 11 1 1 A 37 37 GLY HA3 H 37 3.922 3.720 0.202 1 1 359 . 11 1 1 A 37 37 GLY C C 37 174.041 174.257 -0.216 1 1 360 . 11 1 1 A 38 38 GLU N N 38 120.135 119.536 0.599 1 1 361 . 11 1 1 A 38 38 GLU H H 38 8.080 7.991 0.089 1 1 362 . 11 1 1 A 38 38 GLU CA C 38 56.450 54.766 1.684 1 1 363 . 11 1 1 A 38 38 GLU HA H 38 4.205 4.721 -0.516 1 1 364 . 11 1 1 A 38 38 GLU CB C 38 30.467 32.382 -1.915 1 1 370 . 11 1 1 A 38 38 GLU C C 38 175.932 175.481 0.451 1 1 371 . 11 1 1 A 39 39 ASN N N 39 120.503 125.936 -5.433 1 1 372 . 11 1 1 A 39 39 ASN H H 39 8.511 8.525 -0.014 1 1 373 . 11 1 1 A 39 39 ASN CA C 39 51.313 52.104 -0.791 1 1 374 . 11 1 1 A 39 39 ASN HA H 39 4.931 4.758 0.173 1 1 375 . 11 1 1 A 39 39 ASN CB C 39 38.883 38.015 0.868 1 1 381 . 11 1 1 A 39 39 ASN C C 39 173.367 173.751 -0.384 1 1 382 . 11 1 1 A 40 40 PRO CA C 40 63.564 62.696 0.868 1 1 383 . 11 1 1 A 40 40 PRO HA H 40 4.419 4.626 -0.207 1 1 384 . 11 1 1 A 40 40 PRO CB C 40 32.140 32.582 -0.442 1 1 391 . 11 1 1 A 40 40 PRO C C 40 177.061 177.686 -0.625 1 1 392 . 11 1 1 A 41 41 SER N N 41 115.581 118.998 -3.417 1 1 393 . 11 1 1 A 41 41 SER H H 41 8.354 8.745 -0.391 1 1 394 . 11 1 1 A 41 41 SER CA C 41 58.463 62.398 -3.935 1 1 395 . 11 1 1 A 41 41 SER HA H 41 4.442 4.114 0.328 1 1 396 . 11 1 1 A 41 41 SER CB C 41 63.856 62.828 1.028 1 1 399 . 11 1 1 A 41 41 SER C C 41 174.582 177.150 -2.568 1 1 400 . 11 1 1 A 42 42 GLY N N 42 110.438 109.942 0.496 1 1 401 . 11 1 1 A 42 42 GLY H H 42 8.097 8.352 -0.255 1 1 402 . 11 1 1 A 42 42 GLY CA C 42 44.649 47.643 -2.994 1 1 403 . 11 1 1 A 42 42 GLY HA2 H 42 4.121 3.804 0.317 1 1 404 . 11 1 1 A 42 42 GLY HA3 H 42 4.072 3.809 0.263 1 1 405 . 11 1 1 A 42 42 GLY C C 42 171.675 174.554 -2.879 1 1 406 . 11 1 1 A 43 43 PRO CA C 43 63.436 62.810 0.626 1 1 407 . 11 1 1 A 43 43 PRO HA H 43 4.421 4.560 -0.139 1 1 408 . 11 1 1 A 43 43 PRO CB C 43 32.168 32.573 -0.405 1 1 417 . 11 1 1 A 43 43 PRO C C 43 177.358 177.539 -0.181 1 1 418 . 11 1 1 A 44 44 SER N N 44 116.459 118.715 -2.256 1 1 419 . 11 1 1 A 44 44 SER H H 44 8.513 8.757 -0.244 1 1 420 . 11 1 1 A 44 44 SER CA C 44 58.367 61.160 -2.793 1 1 421 . 11 1 1 A 44 44 SER HA H 44 4.465 4.220 0.245 1 1 422 . 11 1 1 A 44 44 SER CB C 44 63.692 63.715 -0.023 1 1 425 . 11 1 1 A 44 44 SER C C 44 174.649 175.120 -0.471 1 1 426 . 11 1 1 A 45 45 SER N N 45 117.890 112.730 5.160 1 1 427 . 11 1 1 A 45 45 SER H H 45 8.318 8.032 0.286 1 1 1 . 12 1 1 A 8 8 THR CA C 8 61.809 62.959 -1.150 1 1 2 . 12 1 1 A 8 8 THR HA H 8 4.339 4.502 -0.163 1 1 3 . 12 1 1 A 8 8 THR CB C 8 69.833 71.114 -1.281 1 1 9 . 12 1 1 A 8 8 THR C C 8 175.270 174.932 0.338 1 1 10 . 12 1 1 A 9 9 GLY N N 9 111.063 105.344 5.719 1 1 11 . 12 1 1 A 9 9 GLY H H 9 8.444 7.330 1.114 1 1 12 . 12 1 1 A 9 9 GLY CA C 9 45.198 46.052 -0.854 1 1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.925 4.000 -0.075 1 1 14 . 12 1 1 A 9 9 GLY HA3 H 9 3.888 4.019 -0.131 1 1 15 . 12 1 1 A 9 9 GLY C C 9 174.015 171.646 2.369 1 1 16 . 12 1 1 A 10 10 GLU N N 10 120.294 122.715 -2.421 1 1 17 . 12 1 1 A 10 10 GLU H H 10 8.193 8.867 -0.674 1 1 18 . 12 1 1 A 10 10 GLU CA C 10 56.635 55.077 1.558 1 1 19 . 12 1 1 A 10 10 GLU HA H 10 4.170 4.948 -0.778 1 1 20 . 12 1 1 A 10 10 GLU CB C 10 30.501 31.661 -1.160 1 1 26 . 12 1 1 A 10 10 GLU C C 10 176.395 175.354 1.041 1 1 27 . 12 1 1 A 11 11 LYS N N 11 122.626 125.381 -2.755 1 1 28 . 12 1 1 A 11 11 LYS H H 11 8.329 8.396 -0.067 1 1 29 . 12 1 1 A 11 11 LYS CA C 11 53.922 53.133 0.789 1 1 30 . 12 1 1 A 11 11 LYS HA H 11 4.446 4.793 -0.347 1 1 31 . 12 1 1 A 11 11 LYS CB C 11 32.479 34.016 -1.537 1 1 43 . 12 1 1 A 11 11 LYS C C 11 174.018 176.221 -2.203 1 1 44 . 12 1 1 A 12 12 PRO CA C 12 63.321 63.705 -0.384 1 1 45 . 12 1 1 A 12 12 PRO HA H 12 4.283 4.337 -0.054 1 1 46 . 12 1 1 A 12 12 PRO CB C 12 32.313 31.049 1.264 1 1 55 . 12 1 1 A 12 12 PRO C C 12 176.149 175.900 0.249 1 1 56 . 12 1 1 A 13 13 HIS N N 13 119.256 117.237 2.019 1 1 57 . 12 1 1 A 13 13 HIS H H 13 8.026 7.434 0.592 1 1 58 . 12 1 1 A 13 13 HIS CA C 13 55.275 54.814 0.461 1 1 59 . 12 1 1 A 13 13 HIS HA H 13 4.602 5.125 -0.523 1 1 60 . 12 1 1 A 13 13 HIS CB C 13 30.264 32.039 -1.775 1 1 67 . 12 1 1 A 13 13 HIS C C 13 174.072 173.564 0.508 1 1 68 . 12 1 1 A 14 14 GLU N N 14 124.697 125.400 -0.703 1 1 69 . 12 1 1 A 14 14 GLU H H 14 8.462 9.255 -0.793 1 1 70 . 12 1 1 A 14 14 GLU CA C 14 55.194 54.893 0.301 1 1 71 . 12 1 1 A 14 14 GLU HA H 14 4.702 5.358 -0.656 1 1 72 . 12 1 1 A 14 14 GLU CB C 14 32.794 32.784 0.010 1 1 78 . 12 1 1 A 14 14 GLU C C 14 175.024 175.491 -0.467 1 1 79 . 12 1 1 A 15 15 CYS N N 15 126.805 123.702 3.103 1 1 80 . 12 1 1 A 15 15 CYS H H 15 9.220 9.355 -0.135 1 1 81 . 12 1 1 A 15 15 CYS CA C 15 59.261 58.263 0.998 1 1 82 . 12 1 1 A 15 15 CYS HA H 15 4.564 4.819 -0.255 1 1 83 . 12 1 1 A 15 15 CYS CB C 15 29.450 29.639 -0.189 1 1 86 . 12 1 1 A 15 15 CYS C C 15 177.227 176.114 1.113 1 1 87 . 12 1 1 A 16 16 ARG N N 16 114.338 128.150 -13.812 1 1 88 . 12 1 1 A 16 16 ARG H H 16 9.348 8.965 0.383 1 1 89 . 12 1 1 A 16 16 ARG CA C 16 58.121 56.475 1.646 1 1 90 . 12 1 1 A 16 16 ARG HA H 16 4.164 4.461 -0.297 1 1 91 . 12 1 1 A 16 16 ARG CB C 16 29.789 30.404 -0.615 1 1 99 . 12 1 1 A 16 16 ARG C C 16 176.716 177.310 -0.594 1 1 100 . 12 1 1 A 17 17 GLU N N 17 119.673 119.838 -0.165 1 1 101 . 12 1 1 A 17 17 GLU H H 17 8.516 7.880 0.636 1 1 102 . 12 1 1 A 17 17 GLU CA C 17 58.332 56.741 1.591 1 1 103 . 12 1 1 A 17 17 GLU HA H 17 4.146 4.388 -0.242 1 1 104 . 12 1 1 A 17 17 GLU CB C 17 29.305 31.235 -1.930 1 1 110 . 12 1 1 A 17 17 GLU C C 17 177.290 177.769 -0.479 1 1 111 . 12 1 1 A 18 18 CYS N N 18 114.190 114.722 -0.532 1 1 112 . 12 1 1 A 18 18 CYS H H 18 7.848 8.003 -0.155 1 1 113 . 12 1 1 A 18 18 CYS CA C 18 58.352 59.397 -1.045 1 1 114 . 12 1 1 A 18 18 CYS HA H 18 5.141 4.735 0.406 1 1 115 . 12 1 1 A 18 18 CYS CB C 18 32.546 30.422 2.124 1 1 118 . 12 1 1 A 18 18 CYS C C 18 176.195 175.843 0.352 1 1 119 . 12 1 1 A 19 19 GLY N N 19 113.563 110.285 3.278 1 1 120 . 12 1 1 A 19 19 GLY H H 19 8.233 7.827 0.406 1 1 121 . 12 1 1 A 19 19 GLY CA C 19 46.147 45.100 1.047 1 1 122 . 12 1 1 A 19 19 GLY HA2 H 19 3.839 4.066 -0.227 1 1 123 . 12 1 1 A 19 19 GLY HA3 H 19 4.195 4.076 0.119 1 1 124 . 12 1 1 A 19 19 GLY C C 19 173.979 174.543 -0.564 1 1 125 . 12 1 1 A 20 20 LYS N N 20 122.714 120.748 1.966 1 1 126 . 12 1 1 A 20 20 LYS H H 20 7.906 7.327 0.579 1 1 127 . 12 1 1 A 20 20 LYS CA C 20 57.773 55.976 1.797 1 1 128 . 12 1 1 A 20 20 LYS HA H 20 4.016 4.324 -0.308 1 1 129 . 12 1 1 A 20 20 LYS CB C 20 33.694 34.133 -0.439 1 1 141 . 12 1 1 A 20 20 LYS C C 20 174.181 175.470 -1.289 1 1 142 . 12 1 1 A 21 21 SER N N 21 114.889 112.414 2.475 1 1 143 . 12 1 1 A 21 21 SER H H 21 7.770 8.265 -0.495 1 1 144 . 12 1 1 A 21 21 SER CA C 21 56.643 56.599 0.044 1 1 145 . 12 1 1 A 21 21 SER HA H 21 5.178 5.488 -0.310 1 1 146 . 12 1 1 A 21 21 SER CB C 21 65.863 65.802 0.061 1 1 149 . 12 1 1 A 21 21 SER C C 21 173.075 172.908 0.167 1 1 150 . 12 1 1 A 22 22 PHE N N 22 118.070 120.788 -2.718 1 1 151 . 12 1 1 A 22 22 PHE H H 22 8.425 9.473 -1.048 1 1 152 . 12 1 1 A 22 22 PHE CA C 22 57.274 56.487 0.787 1 1 153 . 12 1 1 A 22 22 PHE HA H 22 4.717 5.049 -0.332 1 1 154 . 12 1 1 A 22 22 PHE CB C 22 43.580 41.852 1.728 1 1 167 . 12 1 1 A 22 22 PHE C C 22 175.562 176.000 -0.438 1 1 168 . 12 1 1 A 23 23 SER N N 23 117.719 119.714 -1.995 1 1 169 . 12 1 1 A 23 23 SER H H 23 8.890 8.972 -0.082 1 1 170 . 12 1 1 A 23 23 SER CA C 23 61.814 60.865 0.949 1 1 171 . 12 1 1 A 23 23 SER HA H 23 4.259 4.415 -0.156 1 1 172 . 12 1 1 A 23 23 SER CB C 23 63.470 63.400 0.070 1 1 175 . 12 1 1 A 23 23 SER C C 23 173.419 173.905 -0.486 1 1 176 . 12 1 1 A 24 24 PHE N N 24 114.646 118.581 -3.935 1 1 177 . 12 1 1 A 24 24 PHE H H 24 7.747 8.375 -0.628 1 1 178 . 12 1 1 A 24 24 PHE CA C 24 55.800 56.492 -0.692 1 1 179 . 12 1 1 A 24 24 PHE HA H 24 4.891 5.188 -0.297 1 1 180 . 12 1 1 A 24 24 PHE CB C 24 42.497 41.913 0.584 1 1 193 . 12 1 1 A 24 24 PHE C C 24 176.175 175.575 0.600 1 1 194 . 12 1 1 A 25 25 ASN CA C 25 56.980 55.925 1.055 1 1 195 . 12 1 1 A 25 25 ASN HA H 25 3.746 3.653 0.093 1 1 196 . 12 1 1 A 25 25 ASN CB C 25 38.999 38.213 0.786 1 1 202 . 12 1 1 A 26 26 SER CA C 26 61.136 61.827 -0.691 1 1 203 . 12 1 1 A 26 26 SER HA H 26 3.884 4.196 -0.312 1 1 204 . 12 1 1 A 26 26 SER CB C 26 61.259 63.039 -1.780 1 1 207 . 12 1 1 A 26 26 SER C C 26 176.598 176.935 -0.337 1 1 208 . 12 1 1 A 27 27 GLN N N 27 119.387 121.813 -2.426 1 1 209 . 12 1 1 A 27 27 GLN H H 27 6.763 7.938 -1.175 1 1 210 . 12 1 1 A 27 27 GLN CA C 27 57.426 58.625 -1.199 1 1 211 . 12 1 1 A 27 27 GLN HA H 27 3.946 3.916 0.030 1 1 212 . 12 1 1 A 27 27 GLN CB C 27 28.943 28.535 0.408 1 1 221 . 12 1 1 A 27 27 GLN C C 27 178.638 177.625 1.013 1 1 222 . 12 1 1 A 28 28 LEU N N 28 122.438 120.856 1.582 1 1 223 . 12 1 1 A 28 28 LEU H H 28 6.991 7.406 -0.415 1 1 224 . 12 1 1 A 28 28 LEU CA C 28 57.746 57.046 0.700 1 1 225 . 12 1 1 A 28 28 LEU HA H 28 3.313 2.661 0.652 1 1 226 . 12 1 1 A 28 28 LEU CB C 28 40.505 41.697 -1.192 1 1 239 . 12 1 1 A 28 28 LEU C C 28 177.395 178.488 -1.093 1 1 240 . 12 1 1 A 29 29 ILE N N 29 118.379 118.666 -0.287 1 1 241 . 12 1 1 A 29 29 ILE H H 29 7.976 7.789 0.187 1 1 242 . 12 1 1 A 29 29 ILE CA C 29 64.459 64.656 -0.197 1 1 243 . 12 1 1 A 29 29 ILE HA H 29 3.726 3.686 0.040 1 1 244 . 12 1 1 A 29 29 ILE CB C 29 37.373 37.438 -0.065 1 1 257 . 12 1 1 A 29 29 ILE C C 29 178.970 178.200 0.770 1 1 258 . 12 1 1 A 30 30 VAL N N 30 118.496 120.960 -2.464 1 1 259 . 12 1 1 A 30 30 VAL H H 30 7.047 7.900 -0.853 1 1 260 . 12 1 1 A 30 30 VAL CA C 30 66.457 65.932 0.525 1 1 261 . 12 1 1 A 30 30 VAL HA H 30 3.491 3.573 -0.082 1 1 262 . 12 1 1 A 30 30 VAL CB C 30 32.038 31.054 0.984 1 1 272 . 12 1 1 A 30 30 VAL C C 30 178.763 178.120 0.643 1 1 273 . 12 1 1 A 31 31 HIS N N 31 119.928 120.182 -0.254 1 1 274 . 12 1 1 A 31 31 HIS H H 31 7.577 7.771 -0.194 1 1 275 . 12 1 1 A 31 31 HIS CA C 31 59.301 59.365 -0.064 1 1 276 . 12 1 1 A 31 31 HIS HA H 31 4.113 4.217 -0.104 1 1 277 . 12 1 1 A 31 31 HIS CB C 31 28.544 29.886 -1.342 1 1 284 . 12 1 1 A 31 31 HIS C C 31 176.226 177.376 -1.150 1 1 285 . 12 1 1 A 32 32 GLN N N 32 114.793 118.159 -3.366 1 1 286 . 12 1 1 A 32 32 GLN H H 32 8.456 8.413 0.043 1 1 287 . 12 1 1 A 32 32 GLN CA C 32 59.269 59.032 0.237 1 1 288 . 12 1 1 A 32 32 GLN HA H 32 3.645 3.891 -0.246 1 1 289 . 12 1 1 A 32 32 GLN CB C 32 28.282 28.246 0.036 1 1 298 . 12 1 1 A 32 32 GLN C C 32 177.376 178.289 -0.913 1 1 299 . 12 1 1 A 33 33 ARG N N 33 117.873 118.086 -0.213 1 1 300 . 12 1 1 A 33 33 ARG H H 33 7.186 7.775 -0.589 1 1 301 . 12 1 1 A 33 33 ARG CA C 33 58.401 58.200 0.201 1 1 302 . 12 1 1 A 33 33 ARG HA H 33 4.125 4.036 0.089 1 1 303 . 12 1 1 A 33 33 ARG CB C 33 30.016 29.942 0.074 1 1 312 . 12 1 1 A 33 33 ARG C C 33 178.684 177.669 1.015 1 1 313 . 12 1 1 A 34 34 ILE N N 34 116.164 115.398 0.766 1 1 314 . 12 1 1 A 34 34 ILE H H 34 7.837 7.755 0.082 1 1 315 . 12 1 1 A 34 34 ILE CA C 34 63.143 64.160 -1.017 1 1 316 . 12 1 1 A 34 34 ILE HA H 34 3.937 3.770 0.167 1 1 317 . 12 1 1 A 34 34 ILE CB C 34 37.689 37.380 0.309 1 1 330 . 12 1 1 A 34 34 ILE C C 34 177.369 178.076 -0.707 1 1 331 . 12 1 1 A 35 35 HIS N N 35 117.537 119.764 -2.227 1 1 332 . 12 1 1 A 35 35 HIS H H 35 7.184 7.632 -0.448 1 1 333 . 12 1 1 A 35 35 HIS CA C 35 55.178 59.446 -4.268 1 1 334 . 12 1 1 A 35 35 HIS HA H 35 4.842 4.396 0.446 1 1 335 . 12 1 1 A 35 35 HIS CB C 35 28.550 30.330 -1.780 1 1 342 . 12 1 1 A 35 35 HIS C C 35 175.800 176.716 -0.916 1 1 343 . 12 1 1 A 36 36 THR N N 36 111.364 110.953 0.411 1 1 344 . 12 1 1 A 36 36 THR H H 36 7.747 7.755 -0.008 1 1 345 . 12 1 1 A 36 36 THR CA C 36 62.359 61.698 0.661 1 1 346 . 12 1 1 A 36 36 THR HA H 36 4.337 4.263 0.074 1 1 347 . 12 1 1 A 36 36 THR CB C 36 69.835 67.778 2.057 1 1 353 . 12 1 1 A 36 36 THR C C 36 175.474 174.734 0.740 1 1 354 . 12 1 1 A 37 37 GLY N N 37 110.552 111.359 -0.807 1 1 355 . 12 1 1 A 37 37 GLY H H 37 8.181 8.435 -0.254 1 1 356 . 12 1 1 A 37 37 GLY CA C 37 45.346 45.512 -0.166 1 1 357 . 12 1 1 A 37 37 GLY HA2 H 37 4.001 3.964 0.037 1 1 358 . 12 1 1 A 37 37 GLY HA3 H 37 3.922 3.971 -0.049 1 1 359 . 12 1 1 A 37 37 GLY C C 37 174.041 174.796 -0.755 1 1 360 . 12 1 1 A 38 38 GLU N N 38 120.135 120.954 -0.819 1 1 361 . 12 1 1 A 38 38 GLU H H 38 8.080 7.551 0.529 1 1 362 . 12 1 1 A 38 38 GLU CA C 38 56.450 56.408 0.042 1 1 363 . 12 1 1 A 38 38 GLU HA H 38 4.205 4.404 -0.199 1 1 364 . 12 1 1 A 38 38 GLU CB C 38 30.467 30.875 -0.408 1 1 370 . 12 1 1 A 38 38 GLU C C 38 175.932 175.442 0.490 1 1 371 . 12 1 1 A 39 39 ASN N N 39 120.503 122.250 -1.747 1 1 372 . 12 1 1 A 39 39 ASN H H 39 8.511 8.501 0.010 1 1 373 . 12 1 1 A 39 39 ASN CA C 39 51.313 49.535 1.778 1 1 374 . 12 1 1 A 39 39 ASN HA H 39 4.931 5.266 -0.335 1 1 375 . 12 1 1 A 39 39 ASN CB C 39 38.883 40.524 -1.641 1 1 381 . 12 1 1 A 39 39 ASN C C 39 173.367 175.245 -1.878 1 1 382 . 12 1 1 A 40 40 PRO CA C 40 63.564 63.541 0.023 1 1 383 . 12 1 1 A 40 40 PRO HA H 40 4.419 4.489 -0.070 1 1 384 . 12 1 1 A 40 40 PRO CB C 40 32.140 32.038 0.102 1 1 391 . 12 1 1 A 40 40 PRO C C 40 177.061 176.565 0.496 1 1 392 . 12 1 1 A 41 41 SER N N 41 115.581 111.553 4.028 1 1 393 . 12 1 1 A 41 41 SER H H 41 8.354 8.180 0.174 1 1 394 . 12 1 1 A 41 41 SER CA C 41 58.463 59.488 -1.025 1 1 395 . 12 1 1 A 41 41 SER HA H 41 4.442 4.212 0.230 1 1 396 . 12 1 1 A 41 41 SER CB C 41 63.856 61.158 2.698 1 1 399 . 12 1 1 A 41 41 SER C C 41 174.582 174.117 0.465 1 1 400 . 12 1 1 A 42 42 GLY N N 42 110.438 106.127 4.311 1 1 401 . 12 1 1 A 42 42 GLY H H 42 8.097 8.185 -0.088 1 1 402 . 12 1 1 A 42 42 GLY CA C 42 44.649 46.008 -1.359 1 1 403 . 12 1 1 A 42 42 GLY HA2 H 42 4.121 4.054 0.067 1 1 404 . 12 1 1 A 42 42 GLY HA3 H 42 4.072 4.054 0.018 1 1 405 . 12 1 1 A 42 42 GLY C C 42 171.675 173.755 -2.080 1 1 406 . 12 1 1 A 43 43 PRO CA C 43 63.436 62.218 1.218 1 1 407 . 12 1 1 A 43 43 PRO HA H 43 4.421 4.691 -0.270 1 1 408 . 12 1 1 A 43 43 PRO CB C 43 32.168 29.470 2.698 1 1 417 . 12 1 1 A 43 43 PRO C C 43 177.358 176.652 0.706 1 1 418 . 12 1 1 A 44 44 SER N N 44 116.459 120.505 -4.046 1 1 419 . 12 1 1 A 44 44 SER H H 44 8.513 8.784 -0.271 1 1 420 . 12 1 1 A 44 44 SER CA C 44 58.367 59.844 -1.477 1 1 421 . 12 1 1 A 44 44 SER HA H 44 4.465 4.556 -0.091 1 1 422 . 12 1 1 A 44 44 SER CB C 44 63.692 65.239 -1.547 1 1 425 . 12 1 1 A 44 44 SER C C 44 174.649 173.776 0.873 1 1 426 . 12 1 1 A 45 45 SER N N 45 117.890 115.392 2.498 1 1 427 . 12 1 1 A 45 45 SER H H 45 8.318 7.972 0.346 1 1 1 . 13 1 1 A 8 8 THR CA C 8 61.809 63.618 -1.809 1 1 2 . 13 1 1 A 8 8 THR HA H 8 4.339 4.034 0.305 1 1 3 . 13 1 1 A 8 8 THR CB C 8 69.833 68.642 1.191 1 1 9 . 13 1 1 A 8 8 THR C C 8 175.270 175.650 -0.380 1 1 10 . 13 1 1 A 9 9 GLY N N 9 111.063 116.137 -5.074 1 1 11 . 13 1 1 A 9 9 GLY H H 9 8.444 8.836 -0.392 1 1 12 . 13 1 1 A 9 9 GLY CA C 9 45.198 46.155 -0.957 1 1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.925 3.928 -0.003 1 1 14 . 13 1 1 A 9 9 GLY HA3 H 9 3.888 3.928 -0.040 1 1 15 . 13 1 1 A 9 9 GLY C C 9 174.015 173.977 0.038 1 1 16 . 13 1 1 A 10 10 GLU N N 10 120.294 119.417 0.877 1 1 17 . 13 1 1 A 10 10 GLU H H 10 8.193 7.947 0.246 1 1 18 . 13 1 1 A 10 10 GLU CA C 10 56.635 54.865 1.770 1 1 19 . 13 1 1 A 10 10 GLU HA H 10 4.170 4.733 -0.563 1 1 20 . 13 1 1 A 10 10 GLU CB C 10 30.501 32.290 -1.789 1 1 26 . 13 1 1 A 10 10 GLU C C 10 176.395 175.412 0.983 1 1 27 . 13 1 1 A 11 11 LYS N N 11 122.626 124.874 -2.248 1 1 28 . 13 1 1 A 11 11 LYS H H 11 8.329 8.524 -0.195 1 1 29 . 13 1 1 A 11 11 LYS CA C 11 53.922 54.774 -0.852 1 1 30 . 13 1 1 A 11 11 LYS HA H 11 4.446 4.306 0.140 1 1 31 . 13 1 1 A 11 11 LYS CB C 11 32.479 31.758 0.721 1 1 43 . 13 1 1 A 11 11 LYS C C 11 174.018 176.383 -2.365 1 1 44 . 13 1 1 A 12 12 PRO CA C 12 63.321 63.876 -0.555 1 1 45 . 13 1 1 A 12 12 PRO HA H 12 4.283 4.296 -0.013 1 1 46 . 13 1 1 A 12 12 PRO CB C 12 32.313 31.127 1.186 1 1 55 . 13 1 1 A 12 12 PRO C C 12 176.149 175.853 0.296 1 1 56 . 13 1 1 A 13 13 HIS N N 13 119.256 117.034 2.222 1 1 57 . 13 1 1 A 13 13 HIS H H 13 8.026 7.429 0.597 1 1 58 . 13 1 1 A 13 13 HIS CA C 13 55.275 54.846 0.429 1 1 59 . 13 1 1 A 13 13 HIS HA H 13 4.602 5.103 -0.501 1 1 60 . 13 1 1 A 13 13 HIS CB C 13 30.264 32.042 -1.778 1 1 67 . 13 1 1 A 13 13 HIS C C 13 174.072 173.659 0.413 1 1 68 . 13 1 1 A 14 14 GLU N N 14 124.697 125.593 -0.896 1 1 69 . 13 1 1 A 14 14 GLU H H 14 8.462 9.265 -0.803 1 1 70 . 13 1 1 A 14 14 GLU CA C 14 55.194 54.931 0.263 1 1 71 . 13 1 1 A 14 14 GLU HA H 14 4.702 5.171 -0.469 1 1 72 . 13 1 1 A 14 14 GLU CB C 14 32.794 32.838 -0.044 1 1 78 . 13 1 1 A 14 14 GLU C C 14 175.024 175.578 -0.554 1 1 79 . 13 1 1 A 15 15 CYS N N 15 126.805 124.938 1.867 1 1 80 . 13 1 1 A 15 15 CYS H H 15 9.220 9.320 -0.100 1 1 81 . 13 1 1 A 15 15 CYS CA C 15 59.261 58.144 1.117 1 1 82 . 13 1 1 A 15 15 CYS HA H 15 4.564 4.653 -0.089 1 1 83 . 13 1 1 A 15 15 CYS CB C 15 29.450 27.389 2.061 1 1 86 . 13 1 1 A 15 15 CYS C C 15 177.227 175.947 1.280 1 1 87 . 13 1 1 A 16 16 ARG N N 16 114.338 127.095 -12.757 1 1 88 . 13 1 1 A 16 16 ARG H H 16 9.348 8.735 0.613 1 1 89 . 13 1 1 A 16 16 ARG CA C 16 58.121 58.234 -0.113 1 1 90 . 13 1 1 A 16 16 ARG HA H 16 4.164 4.095 0.069 1 1 91 . 13 1 1 A 16 16 ARG CB C 16 29.789 29.642 0.147 1 1 99 . 13 1 1 A 16 16 ARG C C 16 176.716 178.120 -1.404 1 1 100 . 13 1 1 A 17 17 GLU N N 17 119.673 118.385 1.288 1 1 101 . 13 1 1 A 17 17 GLU H H 17 8.516 7.922 0.594 1 1 102 . 13 1 1 A 17 17 GLU CA C 17 58.332 58.942 -0.610 1 1 103 . 13 1 1 A 17 17 GLU HA H 17 4.146 3.937 0.209 1 1 104 . 13 1 1 A 17 17 GLU CB C 17 29.305 29.340 -0.035 1 1 110 . 13 1 1 A 17 17 GLU C C 17 177.290 177.938 -0.648 1 1 111 . 13 1 1 A 18 18 CYS N N 18 114.190 114.872 -0.682 1 1 112 . 13 1 1 A 18 18 CYS H H 18 7.848 7.962 -0.114 1 1 113 . 13 1 1 A 18 18 CYS CA C 18 58.352 59.596 -1.244 1 1 114 . 13 1 1 A 18 18 CYS HA H 18 5.141 4.705 0.436 1 1 115 . 13 1 1 A 18 18 CYS CB C 18 32.546 30.040 2.506 1 1 118 . 13 1 1 A 18 18 CYS C C 18 176.195 175.400 0.795 1 1 119 . 13 1 1 A 19 19 GLY N N 19 113.563 109.723 3.840 1 1 120 . 13 1 1 A 19 19 GLY H H 19 8.233 7.991 0.242 1 1 121 . 13 1 1 A 19 19 GLY CA C 19 46.147 45.159 0.988 1 1 122 . 13 1 1 A 19 19 GLY HA2 H 19 3.839 4.050 -0.211 1 1 123 . 13 1 1 A 19 19 GLY HA3 H 19 4.195 4.059 0.136 1 1 124 . 13 1 1 A 19 19 GLY C C 19 173.979 174.743 -0.764 1 1 125 . 13 1 1 A 20 20 LYS N N 20 122.714 121.318 1.396 1 1 126 . 13 1 1 A 20 20 LYS H H 20 7.906 7.527 0.379 1 1 127 . 13 1 1 A 20 20 LYS CA C 20 57.773 56.588 1.185 1 1 128 . 13 1 1 A 20 20 LYS HA H 20 4.016 4.225 -0.209 1 1 129 . 13 1 1 A 20 20 LYS CB C 20 33.694 33.901 -0.207 1 1 141 . 13 1 1 A 20 20 LYS C C 20 174.181 174.937 -0.756 1 1 142 . 13 1 1 A 21 21 SER N N 21 114.889 115.098 -0.209 1 1 143 . 13 1 1 A 21 21 SER H H 21 7.770 8.298 -0.528 1 1 144 . 13 1 1 A 21 21 SER CA C 21 56.643 57.370 -0.727 1 1 145 . 13 1 1 A 21 21 SER HA H 21 5.178 5.217 -0.039 1 1 146 . 13 1 1 A 21 21 SER CB C 21 65.863 66.819 -0.956 1 1 149 . 13 1 1 A 21 21 SER C C 21 173.075 172.669 0.406 1 1 150 . 13 1 1 A 22 22 PHE N N 22 118.070 122.757 -4.687 1 1 151 . 13 1 1 A 22 22 PHE H H 22 8.425 9.470 -1.045 1 1 152 . 13 1 1 A 22 22 PHE CA C 22 57.274 56.904 0.370 1 1 153 . 13 1 1 A 22 22 PHE HA H 22 4.717 4.994 -0.277 1 1 154 . 13 1 1 A 22 22 PHE CB C 22 43.580 42.787 0.793 1 1 167 . 13 1 1 A 22 22 PHE C C 22 175.562 175.910 -0.348 1 1 168 . 13 1 1 A 23 23 SER N N 23 117.719 119.027 -1.308 1 1 169 . 13 1 1 A 23 23 SER H H 23 8.890 9.111 -0.221 1 1 170 . 13 1 1 A 23 23 SER CA C 23 61.814 60.583 1.231 1 1 171 . 13 1 1 A 23 23 SER HA H 23 4.259 4.471 -0.212 1 1 172 . 13 1 1 A 23 23 SER CB C 23 63.470 63.819 -0.349 1 1 175 . 13 1 1 A 23 23 SER C C 23 173.419 174.031 -0.612 1 1 176 . 13 1 1 A 24 24 PHE N N 24 114.646 119.132 -4.486 1 1 177 . 13 1 1 A 24 24 PHE H H 24 7.747 7.951 -0.204 1 1 178 . 13 1 1 A 24 24 PHE CA C 24 55.800 56.603 -0.803 1 1 179 . 13 1 1 A 24 24 PHE HA H 24 4.891 5.113 -0.222 1 1 180 . 13 1 1 A 24 24 PHE CB C 24 42.497 41.474 1.023 1 1 193 . 13 1 1 A 24 24 PHE C C 24 176.175 175.740 0.435 1 1 194 . 13 1 1 A 25 25 ASN CA C 25 56.980 56.317 0.663 1 1 195 . 13 1 1 A 25 25 ASN HA H 25 3.746 3.427 0.319 1 1 196 . 13 1 1 A 25 25 ASN CB C 25 38.999 38.418 0.581 1 1 202 . 13 1 1 A 26 26 SER CA C 26 61.136 61.824 -0.688 1 1 203 . 13 1 1 A 26 26 SER HA H 26 3.884 4.217 -0.333 1 1 204 . 13 1 1 A 26 26 SER CB C 26 61.259 62.947 -1.688 1 1 207 . 13 1 1 A 26 26 SER C C 26 176.598 177.003 -0.405 1 1 208 . 13 1 1 A 27 27 GLN N N 27 119.387 121.815 -2.428 1 1 209 . 13 1 1 A 27 27 GLN H H 27 6.763 7.740 -0.977 1 1 210 . 13 1 1 A 27 27 GLN CA C 27 57.426 58.684 -1.258 1 1 211 . 13 1 1 A 27 27 GLN HA H 27 3.946 3.909 0.037 1 1 212 . 13 1 1 A 27 27 GLN CB C 27 28.943 28.561 0.382 1 1 221 . 13 1 1 A 27 27 GLN C C 27 178.638 177.559 1.079 1 1 222 . 13 1 1 A 28 28 LEU N N 28 122.438 120.817 1.621 1 1 223 . 13 1 1 A 28 28 LEU H H 28 6.991 7.423 -0.432 1 1 224 . 13 1 1 A 28 28 LEU CA C 28 57.746 57.024 0.722 1 1 225 . 13 1 1 A 28 28 LEU HA H 28 3.313 2.640 0.673 1 1 226 . 13 1 1 A 28 28 LEU CB C 28 40.505 41.687 -1.182 1 1 239 . 13 1 1 A 28 28 LEU C C 28 177.395 178.474 -1.079 1 1 240 . 13 1 1 A 29 29 ILE N N 29 118.379 118.643 -0.264 1 1 241 . 13 1 1 A 29 29 ILE H H 29 7.976 7.824 0.152 1 1 242 . 13 1 1 A 29 29 ILE CA C 29 64.459 64.638 -0.179 1 1 243 . 13 1 1 A 29 29 ILE HA H 29 3.726 3.674 0.052 1 1 244 . 13 1 1 A 29 29 ILE CB C 29 37.373 37.419 -0.046 1 1 257 . 13 1 1 A 29 29 ILE C C 29 178.970 178.184 0.786 1 1 258 . 13 1 1 A 30 30 VAL N N 30 118.496 120.952 -2.456 1 1 259 . 13 1 1 A 30 30 VAL H H 30 7.047 7.891 -0.844 1 1 260 . 13 1 1 A 30 30 VAL CA C 30 66.457 66.113 0.344 1 1 261 . 13 1 1 A 30 30 VAL HA H 30 3.491 3.562 -0.071 1 1 262 . 13 1 1 A 30 30 VAL CB C 30 32.038 31.091 0.947 1 1 272 . 13 1 1 A 30 30 VAL C C 30 178.763 178.128 0.635 1 1 273 . 13 1 1 A 31 31 HIS N N 31 119.928 119.966 -0.038 1 1 274 . 13 1 1 A 31 31 HIS H H 31 7.577 7.753 -0.176 1 1 275 . 13 1 1 A 31 31 HIS CA C 31 59.301 59.370 -0.069 1 1 276 . 13 1 1 A 31 31 HIS HA H 31 4.113 4.225 -0.112 1 1 277 . 13 1 1 A 31 31 HIS CB C 31 28.544 29.838 -1.294 1 1 284 . 13 1 1 A 31 31 HIS C C 31 176.226 177.387 -1.161 1 1 285 . 13 1 1 A 32 32 GLN N N 32 114.793 118.119 -3.326 1 1 286 . 13 1 1 A 32 32 GLN H H 32 8.456 8.406 0.050 1 1 287 . 13 1 1 A 32 32 GLN CA C 32 59.269 59.104 0.165 1 1 288 . 13 1 1 A 32 32 GLN HA H 32 3.645 3.864 -0.219 1 1 289 . 13 1 1 A 32 32 GLN CB C 32 28.282 28.259 0.023 1 1 298 . 13 1 1 A 32 32 GLN C C 32 177.376 178.338 -0.962 1 1 299 . 13 1 1 A 33 33 ARG N N 33 117.873 118.313 -0.440 1 1 300 . 13 1 1 A 33 33 ARG H H 33 7.186 7.802 -0.616 1 1 301 . 13 1 1 A 33 33 ARG CA C 33 58.401 58.163 0.238 1 1 302 . 13 1 1 A 33 33 ARG HA H 33 4.125 4.060 0.065 1 1 303 . 13 1 1 A 33 33 ARG CB C 33 30.016 29.891 0.125 1 1 312 . 13 1 1 A 33 33 ARG C C 33 178.684 177.473 1.211 1 1 313 . 13 1 1 A 34 34 ILE N N 34 116.164 115.119 1.045 1 1 314 . 13 1 1 A 34 34 ILE H H 34 7.837 7.768 0.069 1 1 315 . 13 1 1 A 34 34 ILE CA C 34 63.143 64.176 -1.033 1 1 316 . 13 1 1 A 34 34 ILE HA H 34 3.937 3.795 0.142 1 1 317 . 13 1 1 A 34 34 ILE CB C 34 37.689 37.422 0.267 1 1 330 . 13 1 1 A 34 34 ILE C C 34 177.369 178.097 -0.728 1 1 331 . 13 1 1 A 35 35 HIS N N 35 117.537 120.646 -3.109 1 1 332 . 13 1 1 A 35 35 HIS H H 35 7.184 7.743 -0.559 1 1 333 . 13 1 1 A 35 35 HIS CA C 35 55.178 59.777 -4.599 1 1 334 . 13 1 1 A 35 35 HIS HA H 35 4.842 4.300 0.542 1 1 335 . 13 1 1 A 35 35 HIS CB C 35 28.550 30.500 -1.950 1 1 342 . 13 1 1 A 35 35 HIS C C 35 175.800 176.507 -0.707 1 1 343 . 13 1 1 A 36 36 THR N N 36 111.364 112.677 -1.313 1 1 344 . 13 1 1 A 36 36 THR H H 36 7.747 7.433 0.314 1 1 345 . 13 1 1 A 36 36 THR CA C 36 62.359 62.329 0.030 1 1 346 . 13 1 1 A 36 36 THR HA H 36 4.337 4.318 0.019 1 1 347 . 13 1 1 A 36 36 THR CB C 36 69.835 68.757 1.078 1 1 353 . 13 1 1 A 36 36 THR C C 36 175.474 175.824 -0.350 1 1 354 . 13 1 1 A 37 37 GLY N N 37 110.552 110.688 -0.136 1 1 355 . 13 1 1 A 37 37 GLY H H 37 8.181 7.874 0.307 1 1 356 . 13 1 1 A 37 37 GLY CA C 37 45.346 45.740 -0.394 1 1 357 . 13 1 1 A 37 37 GLY HA2 H 37 4.001 3.964 0.037 1 1 358 . 13 1 1 A 37 37 GLY HA3 H 37 3.922 3.974 -0.052 1 1 359 . 13 1 1 A 37 37 GLY C C 37 174.041 173.992 0.049 1 1 360 . 13 1 1 A 38 38 GLU N N 38 120.135 120.876 -0.741 1 1 361 . 13 1 1 A 38 38 GLU H H 38 8.080 7.758 0.322 1 1 362 . 13 1 1 A 38 38 GLU CA C 38 56.450 55.347 1.103 1 1 363 . 13 1 1 A 38 38 GLU HA H 38 4.205 4.547 -0.342 1 1 364 . 13 1 1 A 38 38 GLU CB C 38 30.467 31.340 -0.873 1 1 370 . 13 1 1 A 38 38 GLU C C 38 175.932 176.048 -0.116 1 1 371 . 13 1 1 A 39 39 ASN N N 39 120.503 124.798 -4.295 1 1 372 . 13 1 1 A 39 39 ASN H H 39 8.511 8.647 -0.136 1 1 373 . 13 1 1 A 39 39 ASN CA C 39 51.313 51.847 -0.534 1 1 374 . 13 1 1 A 39 39 ASN HA H 39 4.931 4.761 0.170 1 1 375 . 13 1 1 A 39 39 ASN CB C 39 38.883 38.115 0.768 1 1 381 . 13 1 1 A 39 39 ASN C C 39 173.367 174.915 -1.548 1 1 382 . 13 1 1 A 40 40 PRO CA C 40 63.564 62.572 0.992 1 1 383 . 13 1 1 A 40 40 PRO HA H 40 4.419 4.502 -0.083 1 1 384 . 13 1 1 A 40 40 PRO CB C 40 32.140 31.829 0.311 1 1 391 . 13 1 1 A 40 40 PRO C C 40 177.061 176.591 0.470 1 1 392 . 13 1 1 A 41 41 SER N N 41 115.581 118.413 -2.832 1 1 393 . 13 1 1 A 41 41 SER H H 41 8.354 8.542 -0.188 1 1 394 . 13 1 1 A 41 41 SER CA C 41 58.463 60.188 -1.725 1 1 395 . 13 1 1 A 41 41 SER HA H 41 4.442 4.111 0.331 1 1 396 . 13 1 1 A 41 41 SER CB C 41 63.856 62.646 1.210 1 1 399 . 13 1 1 A 41 41 SER C C 41 174.582 175.641 -1.059 1 1 400 . 13 1 1 A 42 42 GLY N N 42 110.438 114.425 -3.987 1 1 401 . 13 1 1 A 42 42 GLY H H 42 8.097 8.870 -0.773 1 1 402 . 13 1 1 A 42 42 GLY CA C 42 44.649 46.968 -2.319 1 1 403 . 13 1 1 A 42 42 GLY HA2 H 42 4.121 3.857 0.264 1 1 404 . 13 1 1 A 42 42 GLY HA3 H 42 4.072 3.857 0.215 1 1 405 . 13 1 1 A 42 42 GLY C C 42 171.675 174.021 -2.346 1 1 406 . 13 1 1 A 43 43 PRO CA C 43 63.436 62.583 0.853 1 1 407 . 13 1 1 A 43 43 PRO HA H 43 4.421 4.531 -0.110 1 1 408 . 13 1 1 A 43 43 PRO CB C 43 32.168 32.462 -0.294 1 1 417 . 13 1 1 A 43 43 PRO C C 43 177.358 176.829 0.529 1 1 418 . 13 1 1 A 44 44 SER N N 44 116.459 117.964 -1.505 1 1 419 . 13 1 1 A 44 44 SER H H 44 8.513 8.200 0.313 1 1 420 . 13 1 1 A 44 44 SER CA C 44 58.367 58.127 0.240 1 1 421 . 13 1 1 A 44 44 SER HA H 44 4.465 4.547 -0.082 1 1 422 . 13 1 1 A 44 44 SER CB C 44 63.692 64.238 -0.546 1 1 425 . 13 1 1 A 44 44 SER C C 44 174.649 175.178 -0.529 1 1 426 . 13 1 1 A 45 45 SER N N 45 117.890 118.146 -0.256 1 1 427 . 13 1 1 A 45 45 SER H H 45 8.318 8.866 -0.548 1 1 1 . 14 1 1 A 8 8 THR CA C 8 61.809 60.404 1.405 1 1 2 . 14 1 1 A 8 8 THR HA H 8 4.339 4.936 -0.597 1 1 3 . 14 1 1 A 8 8 THR CB C 8 69.833 70.320 -0.487 1 1 9 . 14 1 1 A 8 8 THR C C 8 175.270 174.254 1.016 1 1 10 . 14 1 1 A 9 9 GLY N N 9 111.063 113.284 -2.221 1 1 11 . 14 1 1 A 9 9 GLY H H 9 8.444 8.752 -0.308 1 1 12 . 14 1 1 A 9 9 GLY CA C 9 45.198 46.990 -1.792 1 1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.925 3.871 0.054 1 1 14 . 14 1 1 A 9 9 GLY HA3 H 9 3.888 3.873 0.015 1 1 15 . 14 1 1 A 9 9 GLY C C 9 174.015 174.579 -0.564 1 1 16 . 14 1 1 A 10 10 GLU N N 10 120.294 118.223 2.071 1 1 17 . 14 1 1 A 10 10 GLU H H 10 8.193 7.936 0.257 1 1 18 . 14 1 1 A 10 10 GLU CA C 10 56.635 56.021 0.614 1 1 19 . 14 1 1 A 10 10 GLU HA H 10 4.170 4.293 -0.123 1 1 20 . 14 1 1 A 10 10 GLU CB C 10 30.501 30.088 0.413 1 1 26 . 14 1 1 A 10 10 GLU C C 10 176.395 175.698 0.697 1 1 27 . 14 1 1 A 11 11 LYS N N 11 122.626 121.032 1.594 1 1 28 . 14 1 1 A 11 11 LYS H H 11 8.329 8.571 -0.242 1 1 29 . 14 1 1 A 11 11 LYS CA C 11 53.922 53.441 0.481 1 1 30 . 14 1 1 A 11 11 LYS HA H 11 4.446 4.702 -0.256 1 1 31 . 14 1 1 A 11 11 LYS CB C 11 32.479 32.748 -0.269 1 1 43 . 14 1 1 A 11 11 LYS C C 11 174.018 176.362 -2.344 1 1 44 . 14 1 1 A 12 12 PRO CA C 12 63.321 63.776 -0.455 1 1 45 . 14 1 1 A 12 12 PRO HA H 12 4.283 4.312 -0.029 1 1 46 . 14 1 1 A 12 12 PRO CB C 12 32.313 31.143 1.170 1 1 55 . 14 1 1 A 12 12 PRO C C 12 176.149 175.871 0.278 1 1 56 . 14 1 1 A 13 13 HIS N N 13 119.256 117.043 2.213 1 1 57 . 14 1 1 A 13 13 HIS H H 13 8.026 7.444 0.582 1 1 58 . 14 1 1 A 13 13 HIS CA C 13 55.275 54.929 0.346 1 1 59 . 14 1 1 A 13 13 HIS HA H 13 4.602 5.106 -0.504 1 1 60 . 14 1 1 A 13 13 HIS CB C 13 30.264 32.046 -1.782 1 1 67 . 14 1 1 A 13 13 HIS C C 13 174.072 173.553 0.519 1 1 68 . 14 1 1 A 14 14 GLU N N 14 124.697 125.561 -0.864 1 1 69 . 14 1 1 A 14 14 GLU H H 14 8.462 9.272 -0.810 1 1 70 . 14 1 1 A 14 14 GLU CA C 14 55.194 54.935 0.259 1 1 71 . 14 1 1 A 14 14 GLU HA H 14 4.702 5.141 -0.439 1 1 72 . 14 1 1 A 14 14 GLU CB C 14 32.794 32.599 0.195 1 1 78 . 14 1 1 A 14 14 GLU C C 14 175.024 175.156 -0.132 1 1 79 . 14 1 1 A 15 15 CYS N N 15 126.805 125.202 1.603 1 1 80 . 14 1 1 A 15 15 CYS H H 15 9.220 9.245 -0.025 1 1 81 . 14 1 1 A 15 15 CYS CA C 15 59.261 57.917 1.344 1 1 82 . 14 1 1 A 15 15 CYS HA H 15 4.564 4.699 -0.135 1 1 83 . 14 1 1 A 15 15 CYS CB C 15 29.450 27.527 1.923 1 1 86 . 14 1 1 A 15 15 CYS C C 15 177.227 175.574 1.653 1 1 87 . 14 1 1 A 16 16 ARG N N 16 114.338 127.877 -13.539 1 1 88 . 14 1 1 A 16 16 ARG H H 16 9.348 8.561 0.787 1 1 89 . 14 1 1 A 16 16 ARG CA C 16 58.121 58.453 -0.332 1 1 90 . 14 1 1 A 16 16 ARG HA H 16 4.164 3.976 0.188 1 1 91 . 14 1 1 A 16 16 ARG CB C 16 29.789 30.200 -0.411 1 1 99 . 14 1 1 A 16 16 ARG C C 16 176.716 177.609 -0.893 1 1 100 . 14 1 1 A 17 17 GLU N N 17 119.673 117.747 1.926 1 1 101 . 14 1 1 A 17 17 GLU H H 17 8.516 7.989 0.527 1 1 102 . 14 1 1 A 17 17 GLU CA C 17 58.332 58.822 -0.490 1 1 103 . 14 1 1 A 17 17 GLU HA H 17 4.146 3.940 0.206 1 1 104 . 14 1 1 A 17 17 GLU CB C 17 29.305 29.536 -0.231 1 1 110 . 14 1 1 A 17 17 GLU C C 17 177.290 177.889 -0.599 1 1 111 . 14 1 1 A 18 18 CYS N N 18 114.190 114.838 -0.648 1 1 112 . 14 1 1 A 18 18 CYS H H 18 7.848 7.993 -0.145 1 1 113 . 14 1 1 A 18 18 CYS CA C 18 58.352 59.583 -1.231 1 1 114 . 14 1 1 A 18 18 CYS HA H 18 5.141 4.691 0.450 1 1 115 . 14 1 1 A 18 18 CYS CB C 18 32.546 30.033 2.513 1 1 118 . 14 1 1 A 18 18 CYS C C 18 176.195 175.404 0.791 1 1 119 . 14 1 1 A 19 19 GLY N N 19 113.563 109.574 3.989 1 1 120 . 14 1 1 A 19 19 GLY H H 19 8.233 7.943 0.290 1 1 121 . 14 1 1 A 19 19 GLY CA C 19 46.147 45.236 0.911 1 1 122 . 14 1 1 A 19 19 GLY HA2 H 19 3.839 4.055 -0.216 1 1 123 . 14 1 1 A 19 19 GLY HA3 H 19 4.195 4.065 0.130 1 1 124 . 14 1 1 A 19 19 GLY C C 19 173.979 174.789 -0.810 1 1 125 . 14 1 1 A 20 20 LYS N N 20 122.714 121.409 1.305 1 1 126 . 14 1 1 A 20 20 LYS H H 20 7.906 7.564 0.342 1 1 127 . 14 1 1 A 20 20 LYS CA C 20 57.773 56.727 1.046 1 1 128 . 14 1 1 A 20 20 LYS HA H 20 4.016 4.196 -0.180 1 1 129 . 14 1 1 A 20 20 LYS CB C 20 33.694 33.733 -0.039 1 1 141 . 14 1 1 A 20 20 LYS C C 20 174.181 174.877 -0.696 1 1 142 . 14 1 1 A 21 21 SER N N 21 114.889 115.587 -0.698 1 1 143 . 14 1 1 A 21 21 SER H H 21 7.770 8.288 -0.518 1 1 144 . 14 1 1 A 21 21 SER CA C 21 56.643 57.354 -0.711 1 1 145 . 14 1 1 A 21 21 SER HA H 21 5.178 5.112 0.066 1 1 146 . 14 1 1 A 21 21 SER CB C 21 65.863 66.511 -0.648 1 1 149 . 14 1 1 A 21 21 SER C C 21 173.075 172.801 0.274 1 1 150 . 14 1 1 A 22 22 PHE N N 22 118.070 123.102 -5.032 1 1 151 . 14 1 1 A 22 22 PHE H H 22 8.425 9.379 -0.954 1 1 152 . 14 1 1 A 22 22 PHE CA C 22 57.274 56.708 0.566 1 1 153 . 14 1 1 A 22 22 PHE HA H 22 4.717 4.984 -0.267 1 1 154 . 14 1 1 A 22 22 PHE CB C 22 43.580 42.413 1.167 1 1 167 . 14 1 1 A 22 22 PHE C C 22 175.562 176.242 -0.680 1 1 168 . 14 1 1 A 23 23 SER N N 23 117.719 117.681 0.038 1 1 169 . 14 1 1 A 23 23 SER H H 23 8.890 8.956 -0.066 1 1 170 . 14 1 1 A 23 23 SER CA C 23 61.814 60.825 0.989 1 1 171 . 14 1 1 A 23 23 SER HA H 23 4.259 4.396 -0.137 1 1 172 . 14 1 1 A 23 23 SER CB C 23 63.470 63.484 -0.014 1 1 175 . 14 1 1 A 23 23 SER C C 23 173.419 174.725 -1.306 1 1 176 . 14 1 1 A 24 24 PHE N N 24 114.646 120.563 -5.917 1 1 177 . 14 1 1 A 24 24 PHE H H 24 7.747 8.409 -0.662 1 1 178 . 14 1 1 A 24 24 PHE CA C 24 55.800 56.452 -0.652 1 1 179 . 14 1 1 A 24 24 PHE HA H 24 4.891 5.146 -0.255 1 1 180 . 14 1 1 A 24 24 PHE CB C 24 42.497 41.751 0.746 1 1 193 . 14 1 1 A 24 24 PHE C C 24 176.175 175.783 0.392 1 1 194 . 14 1 1 A 25 25 ASN CA C 25 56.980 55.986 0.994 1 1 195 . 14 1 1 A 25 25 ASN HA H 25 3.746 3.596 0.150 1 1 196 . 14 1 1 A 25 25 ASN CB C 25 38.999 38.402 0.597 1 1 202 . 14 1 1 A 26 26 SER CA C 26 61.136 61.832 -0.696 1 1 203 . 14 1 1 A 26 26 SER HA H 26 3.884 4.200 -0.316 1 1 204 . 14 1 1 A 26 26 SER CB C 26 61.259 63.046 -1.787 1 1 207 . 14 1 1 A 26 26 SER C C 26 176.598 176.942 -0.344 1 1 208 . 14 1 1 A 27 27 GLN N N 27 119.387 121.812 -2.425 1 1 209 . 14 1 1 A 27 27 GLN H H 27 6.763 7.894 -1.131 1 1 210 . 14 1 1 A 27 27 GLN CA C 27 57.426 58.770 -1.344 1 1 211 . 14 1 1 A 27 27 GLN HA H 27 3.946 3.943 0.003 1 1 212 . 14 1 1 A 27 27 GLN CB C 27 28.943 28.621 0.322 1 1 221 . 14 1 1 A 27 27 GLN C C 27 178.638 177.608 1.030 1 1 222 . 14 1 1 A 28 28 LEU N N 28 122.438 120.833 1.605 1 1 223 . 14 1 1 A 28 28 LEU H H 28 6.991 7.365 -0.374 1 1 224 . 14 1 1 A 28 28 LEU CA C 28 57.746 56.930 0.816 1 1 225 . 14 1 1 A 28 28 LEU HA H 28 3.313 2.443 0.870 1 1 226 . 14 1 1 A 28 28 LEU CB C 28 40.505 41.631 -1.126 1 1 239 . 14 1 1 A 28 28 LEU C C 28 177.395 178.440 -1.045 1 1 240 . 14 1 1 A 29 29 ILE N N 29 118.379 118.649 -0.270 1 1 241 . 14 1 1 A 29 29 ILE H H 29 7.976 7.830 0.146 1 1 242 . 14 1 1 A 29 29 ILE CA C 29 64.459 64.710 -0.251 1 1 243 . 14 1 1 A 29 29 ILE HA H 29 3.726 3.632 0.094 1 1 244 . 14 1 1 A 29 29 ILE CB C 29 37.373 37.333 0.040 1 1 257 . 14 1 1 A 29 29 ILE C C 29 178.970 178.279 0.691 1 1 258 . 14 1 1 A 30 30 VAL N N 30 118.496 120.970 -2.474 1 1 259 . 14 1 1 A 30 30 VAL H H 30 7.047 8.008 -0.961 1 1 260 . 14 1 1 A 30 30 VAL CA C 30 66.457 66.123 0.334 1 1 261 . 14 1 1 A 30 30 VAL HA H 30 3.491 3.563 -0.072 1 1 262 . 14 1 1 A 30 30 VAL CB C 30 32.038 31.211 0.827 1 1 272 . 14 1 1 A 30 30 VAL C C 30 178.763 178.127 0.636 1 1 273 . 14 1 1 A 31 31 HIS N N 31 119.928 119.946 -0.018 1 1 274 . 14 1 1 A 31 31 HIS H H 31 7.577 7.689 -0.112 1 1 275 . 14 1 1 A 31 31 HIS CA C 31 59.301 59.276 0.025 1 1 276 . 14 1 1 A 31 31 HIS HA H 31 4.113 4.193 -0.080 1 1 277 . 14 1 1 A 31 31 HIS CB C 31 28.544 29.959 -1.415 1 1 284 . 14 1 1 A 31 31 HIS C C 31 176.226 177.368 -1.142 1 1 285 . 14 1 1 A 32 32 GLN N N 32 114.793 118.156 -3.363 1 1 286 . 14 1 1 A 32 32 GLN H H 32 8.456 8.449 0.007 1 1 287 . 14 1 1 A 32 32 GLN CA C 32 59.269 58.981 0.288 1 1 288 . 14 1 1 A 32 32 GLN HA H 32 3.645 3.815 -0.170 1 1 289 . 14 1 1 A 32 32 GLN CB C 32 28.282 28.215 0.067 1 1 298 . 14 1 1 A 32 32 GLN C C 32 177.376 178.264 -0.888 1 1 299 . 14 1 1 A 33 33 ARG N N 33 117.873 118.078 -0.205 1 1 300 . 14 1 1 A 33 33 ARG H H 33 7.186 7.764 -0.578 1 1 301 . 14 1 1 A 33 33 ARG CA C 33 58.401 58.194 0.207 1 1 302 . 14 1 1 A 33 33 ARG HA H 33 4.125 4.031 0.094 1 1 303 . 14 1 1 A 33 33 ARG CB C 33 30.016 29.939 0.077 1 1 312 . 14 1 1 A 33 33 ARG C C 33 178.684 177.469 1.215 1 1 313 . 14 1 1 A 34 34 ILE N N 34 116.164 114.715 1.449 1 1 314 . 14 1 1 A 34 34 ILE H H 34 7.837 7.754 0.083 1 1 315 . 14 1 1 A 34 34 ILE CA C 34 63.143 64.068 -0.925 1 1 316 . 14 1 1 A 34 34 ILE HA H 34 3.937 3.793 0.144 1 1 317 . 14 1 1 A 34 34 ILE CB C 34 37.689 37.419 0.270 1 1 330 . 14 1 1 A 34 34 ILE C C 34 177.369 178.109 -0.740 1 1 331 . 14 1 1 A 35 35 HIS N N 35 117.537 121.132 -3.595 1 1 332 . 14 1 1 A 35 35 HIS H H 35 7.184 7.717 -0.533 1 1 333 . 14 1 1 A 35 35 HIS CA C 35 55.178 59.308 -4.130 1 1 334 . 14 1 1 A 35 35 HIS HA H 35 4.842 4.409 0.433 1 1 335 . 14 1 1 A 35 35 HIS CB C 35 28.550 29.745 -1.195 1 1 342 . 14 1 1 A 35 35 HIS C C 35 175.800 177.741 -1.941 1 1 343 . 14 1 1 A 36 36 THR N N 36 111.364 113.682 -2.318 1 1 344 . 14 1 1 A 36 36 THR H H 36 7.747 7.905 -0.158 1 1 345 . 14 1 1 A 36 36 THR CA C 36 62.359 65.633 -3.274 1 1 346 . 14 1 1 A 36 36 THR HA H 36 4.337 3.929 0.408 1 1 347 . 14 1 1 A 36 36 THR CB C 36 69.835 68.789 1.046 1 1 353 . 14 1 1 A 36 36 THR C C 36 175.474 176.477 -1.003 1 1 354 . 14 1 1 A 37 37 GLY N N 37 110.552 107.569 2.983 1 1 355 . 14 1 1 A 37 37 GLY H H 37 8.181 8.223 -0.042 1 1 356 . 14 1 1 A 37 37 GLY CA C 37 45.346 47.344 -1.998 1 1 357 . 14 1 1 A 37 37 GLY HA2 H 37 4.001 3.773 0.228 1 1 358 . 14 1 1 A 37 37 GLY HA3 H 37 3.922 3.783 0.139 1 1 359 . 14 1 1 A 37 37 GLY C C 37 174.041 174.029 0.012 1 1 360 . 14 1 1 A 38 38 GLU N N 38 120.135 119.387 0.748 1 1 361 . 14 1 1 A 38 38 GLU H H 38 8.080 7.519 0.561 1 1 362 . 14 1 1 A 38 38 GLU CA C 38 56.450 54.828 1.622 1 1 363 . 14 1 1 A 38 38 GLU HA H 38 4.205 4.867 -0.662 1 1 364 . 14 1 1 A 38 38 GLU CB C 38 30.467 33.299 -2.832 1 1 370 . 14 1 1 A 38 38 GLU C C 38 175.932 174.106 1.826 1 1 371 . 14 1 1 A 39 39 ASN N N 39 120.503 125.724 -5.221 1 1 372 . 14 1 1 A 39 39 ASN H H 39 8.511 9.093 -0.582 1 1 373 . 14 1 1 A 39 39 ASN CA C 39 51.313 49.688 1.625 1 1 374 . 14 1 1 A 39 39 ASN HA H 39 4.931 5.430 -0.499 1 1 375 . 14 1 1 A 39 39 ASN CB C 39 38.883 39.431 -0.548 1 1 381 . 14 1 1 A 39 39 ASN C C 39 173.367 173.537 -0.170 1 1 382 . 14 1 1 A 40 40 PRO CA C 40 63.564 62.371 1.193 1 1 383 . 14 1 1 A 40 40 PRO HA H 40 4.419 4.721 -0.302 1 1 384 . 14 1 1 A 40 40 PRO CB C 40 32.140 33.403 -1.263 1 1 391 . 14 1 1 A 40 40 PRO C C 40 177.061 176.489 0.572 1 1 392 . 14 1 1 A 41 41 SER N N 41 115.581 115.905 -0.324 1 1 393 . 14 1 1 A 41 41 SER H H 41 8.354 8.676 -0.322 1 1 394 . 14 1 1 A 41 41 SER CA C 41 58.463 58.436 0.027 1 1 395 . 14 1 1 A 41 41 SER HA H 41 4.442 4.644 -0.202 1 1 396 . 14 1 1 A 41 41 SER CB C 41 63.856 63.282 0.574 1 1 399 . 14 1 1 A 41 41 SER C C 41 174.582 175.871 -1.289 1 1 400 . 14 1 1 A 42 42 GLY N N 42 110.438 110.267 0.171 1 1 401 . 14 1 1 A 42 42 GLY H H 42 8.097 8.262 -0.165 1 1 402 . 14 1 1 A 42 42 GLY CA C 42 44.649 46.918 -2.269 1 1 403 . 14 1 1 A 42 42 GLY HA2 H 42 4.121 3.857 0.264 1 1 404 . 14 1 1 A 42 42 GLY HA3 H 42 4.072 3.869 0.203 1 1 405 . 14 1 1 A 42 42 GLY C C 42 171.675 174.435 -2.760 1 1 406 . 14 1 1 A 43 43 PRO CA C 43 63.436 62.690 0.746 1 1 407 . 14 1 1 A 43 43 PRO HA H 43 4.421 4.508 -0.087 1 1 408 . 14 1 1 A 43 43 PRO CB C 43 32.168 32.274 -0.106 1 1 417 . 14 1 1 A 43 43 PRO C C 43 177.358 176.805 0.553 1 1 418 . 14 1 1 A 44 44 SER N N 44 116.459 117.920 -1.461 1 1 419 . 14 1 1 A 44 44 SER H H 44 8.513 8.505 0.008 1 1 420 . 14 1 1 A 44 44 SER CA C 44 58.367 58.790 -0.423 1 1 421 . 14 1 1 A 44 44 SER HA H 44 4.465 4.288 0.177 1 1 422 . 14 1 1 A 44 44 SER CB C 44 63.692 63.349 0.343 1 1 425 . 14 1 1 A 44 44 SER C C 44 174.649 173.848 0.801 1 1 426 . 14 1 1 A 45 45 SER N N 45 117.890 117.468 0.422 1 1 427 . 14 1 1 A 45 45 SER H H 45 8.318 8.407 -0.089 1 1 1 . 15 1 1 A 8 8 THR CA C 8 61.809 60.347 1.462 1 1 2 . 15 1 1 A 8 8 THR HA H 8 4.339 4.549 -0.210 1 1 3 . 15 1 1 A 8 8 THR CB C 8 69.833 71.579 -1.746 1 1 9 . 15 1 1 A 8 8 THR C C 8 175.270 173.691 1.579 1 1 10 . 15 1 1 A 9 9 GLY N N 9 111.063 115.663 -4.600 1 1 11 . 15 1 1 A 9 9 GLY H H 9 8.444 8.794 -0.350 1 1 12 . 15 1 1 A 9 9 GLY CA C 9 45.198 46.808 -1.610 1 1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.925 3.871 0.054 1 1 14 . 15 1 1 A 9 9 GLY HA3 H 9 3.888 3.874 0.014 1 1 15 . 15 1 1 A 9 9 GLY C C 9 174.015 175.245 -1.230 1 1 16 . 15 1 1 A 10 10 GLU N N 10 120.294 118.529 1.765 1 1 17 . 15 1 1 A 10 10 GLU H H 10 8.193 8.281 -0.088 1 1 18 . 15 1 1 A 10 10 GLU CA C 10 56.635 56.149 0.486 1 1 19 . 15 1 1 A 10 10 GLU HA H 10 4.170 4.383 -0.213 1 1 20 . 15 1 1 A 10 10 GLU CB C 10 30.501 29.760 0.741 1 1 26 . 15 1 1 A 10 10 GLU C C 10 176.395 174.928 1.467 1 1 27 . 15 1 1 A 11 11 LYS N N 11 122.626 117.881 4.745 1 1 28 . 15 1 1 A 11 11 LYS H H 11 8.329 7.360 0.969 1 1 29 . 15 1 1 A 11 11 LYS CA C 11 53.922 53.073 0.849 1 1 30 . 15 1 1 A 11 11 LYS HA H 11 4.446 4.739 -0.293 1 1 31 . 15 1 1 A 11 11 LYS CB C 11 32.479 34.856 -2.377 1 1 43 . 15 1 1 A 11 11 LYS C C 11 174.018 176.105 -2.087 1 1 44 . 15 1 1 A 12 12 PRO CA C 12 63.321 63.694 -0.373 1 1 45 . 15 1 1 A 12 12 PRO HA H 12 4.283 4.334 -0.051 1 1 46 . 15 1 1 A 12 12 PRO CB C 12 32.313 31.005 1.308 1 1 55 . 15 1 1 A 12 12 PRO C C 12 176.149 175.893 0.256 1 1 56 . 15 1 1 A 13 13 HIS N N 13 119.256 117.219 2.037 1 1 57 . 15 1 1 A 13 13 HIS H H 13 8.026 7.423 0.603 1 1 58 . 15 1 1 A 13 13 HIS CA C 13 55.275 54.808 0.467 1 1 59 . 15 1 1 A 13 13 HIS HA H 13 4.602 5.134 -0.532 1 1 60 . 15 1 1 A 13 13 HIS CB C 13 30.264 32.034 -1.770 1 1 67 . 15 1 1 A 13 13 HIS C C 13 174.072 173.576 0.496 1 1 68 . 15 1 1 A 14 14 GLU N N 14 124.697 125.550 -0.853 1 1 69 . 15 1 1 A 14 14 GLU H H 14 8.462 9.262 -0.800 1 1 70 . 15 1 1 A 14 14 GLU CA C 14 55.194 54.922 0.272 1 1 71 . 15 1 1 A 14 14 GLU HA H 14 4.702 5.242 -0.540 1 1 72 . 15 1 1 A 14 14 GLU CB C 14 32.794 32.547 0.247 1 1 78 . 15 1 1 A 14 14 GLU C C 14 175.024 175.520 -0.496 1 1 79 . 15 1 1 A 15 15 CYS N N 15 126.805 125.204 1.601 1 1 80 . 15 1 1 A 15 15 CYS H H 15 9.220 9.207 0.013 1 1 81 . 15 1 1 A 15 15 CYS CA C 15 59.261 57.953 1.308 1 1 82 . 15 1 1 A 15 15 CYS HA H 15 4.564 4.657 -0.093 1 1 83 . 15 1 1 A 15 15 CYS CB C 15 29.450 27.433 2.017 1 1 86 . 15 1 1 A 15 15 CYS C C 15 177.227 175.461 1.766 1 1 87 . 15 1 1 A 16 16 ARG N N 16 114.338 127.178 -12.840 1 1 88 . 15 1 1 A 16 16 ARG H H 16 9.348 8.725 0.623 1 1 89 . 15 1 1 A 16 16 ARG CA C 16 58.121 58.541 -0.420 1 1 90 . 15 1 1 A 16 16 ARG HA H 16 4.164 4.152 0.012 1 1 91 . 15 1 1 A 16 16 ARG CB C 16 29.789 29.887 -0.098 1 1 99 . 15 1 1 A 16 16 ARG C C 16 176.716 178.527 -1.811 1 1 100 . 15 1 1 A 17 17 GLU N N 17 119.673 118.479 1.194 1 1 101 . 15 1 1 A 17 17 GLU H H 17 8.516 7.923 0.593 1 1 102 . 15 1 1 A 17 17 GLU CA C 17 58.332 58.904 -0.572 1 1 103 . 15 1 1 A 17 17 GLU HA H 17 4.146 3.955 0.191 1 1 104 . 15 1 1 A 17 17 GLU CB C 17 29.305 29.496 -0.191 1 1 110 . 15 1 1 A 17 17 GLU C C 17 177.290 177.881 -0.591 1 1 111 . 15 1 1 A 18 18 CYS N N 18 114.190 114.819 -0.629 1 1 112 . 15 1 1 A 18 18 CYS H H 18 7.848 7.969 -0.121 1 1 113 . 15 1 1 A 18 18 CYS CA C 18 58.352 59.649 -1.297 1 1 114 . 15 1 1 A 18 18 CYS HA H 18 5.141 4.684 0.457 1 1 115 . 15 1 1 A 18 18 CYS CB C 18 32.546 30.021 2.525 1 1 118 . 15 1 1 A 18 18 CYS C C 18 176.195 175.401 0.794 1 1 119 . 15 1 1 A 19 19 GLY N N 19 113.563 109.561 4.002 1 1 120 . 15 1 1 A 19 19 GLY H H 19 8.233 8.021 0.212 1 1 121 . 15 1 1 A 19 19 GLY CA C 19 46.147 45.232 0.915 1 1 122 . 15 1 1 A 19 19 GLY HA2 H 19 3.839 4.050 -0.211 1 1 123 . 15 1 1 A 19 19 GLY HA3 H 19 4.195 4.058 0.137 1 1 124 . 15 1 1 A 19 19 GLY C C 19 173.979 174.778 -0.799 1 1 125 . 15 1 1 A 20 20 LYS N N 20 122.714 121.403 1.311 1 1 126 . 15 1 1 A 20 20 LYS H H 20 7.906 7.536 0.370 1 1 127 . 15 1 1 A 20 20 LYS CA C 20 57.773 56.714 1.059 1 1 128 . 15 1 1 A 20 20 LYS HA H 20 4.016 4.187 -0.171 1 1 129 . 15 1 1 A 20 20 LYS CB C 20 33.694 33.700 -0.006 1 1 141 . 15 1 1 A 20 20 LYS C C 20 174.181 174.923 -0.742 1 1 142 . 15 1 1 A 21 21 SER N N 21 114.889 115.469 -0.580 1 1 143 . 15 1 1 A 21 21 SER H H 21 7.770 8.274 -0.504 1 1 144 . 15 1 1 A 21 21 SER CA C 21 56.643 57.365 -0.722 1 1 145 . 15 1 1 A 21 21 SER HA H 21 5.178 5.147 0.031 1 1 146 . 15 1 1 A 21 21 SER CB C 21 65.863 66.192 -0.329 1 1 149 . 15 1 1 A 21 21 SER C C 21 173.075 172.771 0.304 1 1 150 . 15 1 1 A 22 22 PHE N N 22 118.070 123.118 -5.048 1 1 151 . 15 1 1 A 22 22 PHE H H 22 8.425 9.389 -0.964 1 1 152 . 15 1 1 A 22 22 PHE CA C 22 57.274 56.644 0.630 1 1 153 . 15 1 1 A 22 22 PHE HA H 22 4.717 4.981 -0.264 1 1 154 . 15 1 1 A 22 22 PHE CB C 22 43.580 42.398 1.182 1 1 167 . 15 1 1 A 22 22 PHE C C 22 175.562 176.114 -0.552 1 1 168 . 15 1 1 A 23 23 SER N N 23 117.719 117.316 0.403 1 1 169 . 15 1 1 A 23 23 SER H H 23 8.890 8.751 0.139 1 1 170 . 15 1 1 A 23 23 SER CA C 23 61.814 62.344 -0.530 1 1 171 . 15 1 1 A 23 23 SER HA H 23 4.259 4.441 -0.182 1 1 172 . 15 1 1 A 23 23 SER CB C 23 63.470 63.621 -0.151 1 1 175 . 15 1 1 A 23 23 SER C C 23 173.419 174.846 -1.427 1 1 176 . 15 1 1 A 24 24 PHE N N 24 114.646 117.966 -3.320 1 1 177 . 15 1 1 A 24 24 PHE H H 24 7.747 8.410 -0.663 1 1 178 . 15 1 1 A 24 24 PHE CA C 24 55.800 56.453 -0.653 1 1 179 . 15 1 1 A 24 24 PHE HA H 24 4.891 5.176 -0.285 1 1 180 . 15 1 1 A 24 24 PHE CB C 24 42.497 41.620 0.877 1 1 193 . 15 1 1 A 24 24 PHE C C 24 176.175 175.464 0.711 1 1 194 . 15 1 1 A 25 25 ASN CA C 25 56.980 55.963 1.017 1 1 195 . 15 1 1 A 25 25 ASN HA H 25 3.746 3.572 0.174 1 1 196 . 15 1 1 A 25 25 ASN CB C 25 38.999 38.355 0.644 1 1 202 . 15 1 1 A 26 26 SER CA C 26 61.136 61.820 -0.684 1 1 203 . 15 1 1 A 26 26 SER HA H 26 3.884 4.214 -0.330 1 1 204 . 15 1 1 A 26 26 SER CB C 26 61.259 62.861 -1.602 1 1 207 . 15 1 1 A 26 26 SER C C 26 176.598 176.996 -0.398 1 1 208 . 15 1 1 A 27 27 GLN N N 27 119.387 121.825 -2.438 1 1 209 . 15 1 1 A 27 27 GLN H H 27 6.763 8.031 -1.268 1 1 210 . 15 1 1 A 27 27 GLN CA C 27 57.426 58.805 -1.379 1 1 211 . 15 1 1 A 27 27 GLN HA H 27 3.946 3.930 0.016 1 1 212 . 15 1 1 A 27 27 GLN CB C 27 28.943 28.562 0.381 1 1 221 . 15 1 1 A 27 27 GLN C C 27 178.638 177.719 0.919 1 1 222 . 15 1 1 A 28 28 LEU N N 28 122.438 120.731 1.707 1 1 223 . 15 1 1 A 28 28 LEU H H 28 6.991 7.354 -0.363 1 1 224 . 15 1 1 A 28 28 LEU CA C 28 57.746 56.992 0.754 1 1 225 . 15 1 1 A 28 28 LEU HA H 28 3.313 2.454 0.859 1 1 226 . 15 1 1 A 28 28 LEU CB C 28 40.505 41.802 -1.297 1 1 239 . 15 1 1 A 28 28 LEU C C 28 177.395 178.165 -0.770 1 1 240 . 15 1 1 A 29 29 ILE N N 29 118.379 118.897 -0.518 1 1 241 . 15 1 1 A 29 29 ILE H H 29 7.976 7.709 0.267 1 1 242 . 15 1 1 A 29 29 ILE CA C 29 64.459 64.874 -0.415 1 1 243 . 15 1 1 A 29 29 ILE HA H 29 3.726 3.584 0.142 1 1 244 . 15 1 1 A 29 29 ILE CB C 29 37.373 37.646 -0.273 1 1 257 . 15 1 1 A 29 29 ILE C C 29 178.970 178.019 0.951 1 1 258 . 15 1 1 A 30 30 VAL N N 30 118.496 120.414 -1.918 1 1 259 . 15 1 1 A 30 30 VAL H H 30 7.047 8.111 -1.064 1 1 260 . 15 1 1 A 30 30 VAL CA C 30 66.457 66.375 0.082 1 1 261 . 15 1 1 A 30 30 VAL HA H 30 3.491 3.539 -0.048 1 1 262 . 15 1 1 A 30 30 VAL CB C 30 32.038 31.428 0.610 1 1 272 . 15 1 1 A 30 30 VAL C C 30 178.763 178.128 0.635 1 1 273 . 15 1 1 A 31 31 HIS N N 31 119.928 119.944 -0.016 1 1 274 . 15 1 1 A 31 31 HIS H H 31 7.577 7.668 -0.091 1 1 275 . 15 1 1 A 31 31 HIS CA C 31 59.301 59.279 0.022 1 1 276 . 15 1 1 A 31 31 HIS HA H 31 4.113 4.195 -0.082 1 1 277 . 15 1 1 A 31 31 HIS CB C 31 28.544 29.963 -1.419 1 1 284 . 15 1 1 A 31 31 HIS C C 31 176.226 177.337 -1.111 1 1 285 . 15 1 1 A 32 32 GLN N N 32 114.793 118.198 -3.405 1 1 286 . 15 1 1 A 32 32 GLN H H 32 8.456 8.482 -0.026 1 1 287 . 15 1 1 A 32 32 GLN CA C 32 59.269 58.914 0.355 1 1 288 . 15 1 1 A 32 32 GLN HA H 32 3.645 3.834 -0.189 1 1 289 . 15 1 1 A 32 32 GLN CB C 32 28.282 28.301 -0.019 1 1 298 . 15 1 1 A 32 32 GLN C C 32 177.376 178.387 -1.011 1 1 299 . 15 1 1 A 33 33 ARG N N 33 117.873 118.134 -0.261 1 1 300 . 15 1 1 A 33 33 ARG H H 33 7.186 7.771 -0.585 1 1 301 . 15 1 1 A 33 33 ARG CA C 33 58.401 58.211 0.190 1 1 302 . 15 1 1 A 33 33 ARG HA H 33 4.125 4.046 0.079 1 1 303 . 15 1 1 A 33 33 ARG CB C 33 30.016 30.013 0.003 1 1 312 . 15 1 1 A 33 33 ARG C C 33 178.684 177.689 0.995 1 1 313 . 15 1 1 A 34 34 ILE N N 34 116.164 115.376 0.788 1 1 314 . 15 1 1 A 34 34 ILE H H 34 7.837 7.760 0.077 1 1 315 . 15 1 1 A 34 34 ILE CA C 34 63.143 64.173 -1.030 1 1 316 . 15 1 1 A 34 34 ILE HA H 34 3.937 3.781 0.156 1 1 317 . 15 1 1 A 34 34 ILE CB C 34 37.689 37.405 0.284 1 1 330 . 15 1 1 A 34 34 ILE C C 34 177.369 177.999 -0.630 1 1 331 . 15 1 1 A 35 35 HIS N N 35 117.537 121.208 -3.671 1 1 332 . 15 1 1 A 35 35 HIS H H 35 7.184 7.761 -0.577 1 1 333 . 15 1 1 A 35 35 HIS CA C 35 55.178 59.452 -4.274 1 1 334 . 15 1 1 A 35 35 HIS HA H 35 4.842 4.346 0.496 1 1 335 . 15 1 1 A 35 35 HIS CB C 35 28.550 29.697 -1.147 1 1 342 . 15 1 1 A 35 35 HIS C C 35 175.800 178.131 -2.331 1 1 343 . 15 1 1 A 36 36 THR N N 36 111.364 113.515 -2.151 1 1 344 . 15 1 1 A 36 36 THR H H 36 7.747 7.750 -0.003 1 1 345 . 15 1 1 A 36 36 THR CA C 36 62.359 65.592 -3.233 1 1 346 . 15 1 1 A 36 36 THR HA H 36 4.337 3.897 0.440 1 1 347 . 15 1 1 A 36 36 THR CB C 36 69.835 68.535 1.300 1 1 353 . 15 1 1 A 36 36 THR C C 36 175.474 176.849 -1.375 1 1 354 . 15 1 1 A 37 37 GLY N N 37 110.552 107.844 2.708 1 1 355 . 15 1 1 A 37 37 GLY H H 37 8.181 8.153 0.028 1 1 356 . 15 1 1 A 37 37 GLY CA C 37 45.346 47.287 -1.941 1 1 357 . 15 1 1 A 37 37 GLY HA2 H 37 4.001 3.726 0.275 1 1 358 . 15 1 1 A 37 37 GLY HA3 H 37 3.922 3.738 0.184 1 1 359 . 15 1 1 A 37 37 GLY C C 37 174.041 174.858 -0.817 1 1 360 . 15 1 1 A 38 38 GLU N N 38 120.135 120.409 -0.274 1 1 361 . 15 1 1 A 38 38 GLU H H 38 8.080 7.319 0.761 1 1 362 . 15 1 1 A 38 38 GLU CA C 38 56.450 57.031 -0.581 1 1 363 . 15 1 1 A 38 38 GLU HA H 38 4.205 4.177 0.028 1 1 364 . 15 1 1 A 38 38 GLU CB C 38 30.467 30.387 0.080 1 1 370 . 15 1 1 A 38 38 GLU C C 38 175.932 176.117 -0.185 1 1 371 . 15 1 1 A 39 39 ASN N N 39 120.503 124.308 -3.805 1 1 372 . 15 1 1 A 39 39 ASN H H 39 8.511 8.518 -0.007 1 1 373 . 15 1 1 A 39 39 ASN CA C 39 51.313 51.719 -0.406 1 1 374 . 15 1 1 A 39 39 ASN HA H 39 4.931 4.955 -0.024 1 1 375 . 15 1 1 A 39 39 ASN CB C 39 38.883 37.965 0.918 1 1 381 . 15 1 1 A 39 39 ASN C C 39 173.367 174.449 -1.082 1 1 382 . 15 1 1 A 40 40 PRO CA C 40 63.564 62.555 1.009 1 1 383 . 15 1 1 A 40 40 PRO HA H 40 4.419 4.662 -0.243 1 1 384 . 15 1 1 A 40 40 PRO CB C 40 32.140 33.008 -0.868 1 1 391 . 15 1 1 A 40 40 PRO C C 40 177.061 175.962 1.099 1 1 392 . 15 1 1 A 41 41 SER N N 41 115.581 112.608 2.973 1 1 393 . 15 1 1 A 41 41 SER H H 41 8.354 8.589 -0.235 1 1 394 . 15 1 1 A 41 41 SER CA C 41 58.463 57.612 0.851 1 1 395 . 15 1 1 A 41 41 SER HA H 41 4.442 4.689 -0.247 1 1 396 . 15 1 1 A 41 41 SER CB C 41 63.856 63.343 0.513 1 1 399 . 15 1 1 A 41 41 SER C C 41 174.582 174.175 0.407 1 1 400 . 15 1 1 A 42 42 GLY N N 42 110.438 109.214 1.224 1 1 401 . 15 1 1 A 42 42 GLY H H 42 8.097 7.638 0.459 1 1 402 . 15 1 1 A 42 42 GLY CA C 42 44.649 45.597 -0.948 1 1 403 . 15 1 1 A 42 42 GLY HA2 H 42 4.121 4.066 0.055 1 1 404 . 15 1 1 A 42 42 GLY HA3 H 42 4.072 4.066 0.006 1 1 405 . 15 1 1 A 42 42 GLY C C 42 171.675 174.500 -2.825 1 1 406 . 15 1 1 A 43 43 PRO CA C 43 63.436 62.646 0.790 1 1 407 . 15 1 1 A 43 43 PRO HA H 43 4.421 4.687 -0.266 1 1 408 . 15 1 1 A 43 43 PRO CB C 43 32.168 33.573 -1.405 1 1 417 . 15 1 1 A 43 43 PRO C C 43 177.358 175.669 1.689 1 1 418 . 15 1 1 A 44 44 SER N N 44 116.459 116.366 0.093 1 1 419 . 15 1 1 A 44 44 SER H H 44 8.513 8.510 0.003 1 1 420 . 15 1 1 A 44 44 SER CA C 44 58.367 57.297 1.070 1 1 421 . 15 1 1 A 44 44 SER HA H 44 4.465 4.694 -0.229 1 1 422 . 15 1 1 A 44 44 SER CB C 44 63.692 63.097 0.595 1 1 425 . 15 1 1 A 44 44 SER C C 44 174.649 173.327 1.322 1 1 426 . 15 1 1 A 45 45 SER N N 45 117.890 114.174 3.716 1 1 427 . 15 1 1 A 45 45 SER H H 45 8.318 7.643 0.675 1 1 1 . 16 1 1 A 8 8 THR CA C 8 61.809 61.029 0.780 1 1 2 . 16 1 1 A 8 8 THR HA H 8 4.339 4.836 -0.497 1 1 3 . 16 1 1 A 8 8 THR CB C 8 69.833 72.155 -2.322 1 1 9 . 16 1 1 A 8 8 THR C C 8 175.270 174.651 0.619 1 1 10 . 16 1 1 A 9 9 GLY N N 9 111.063 112.808 -1.745 1 1 11 . 16 1 1 A 9 9 GLY H H 9 8.444 8.632 -0.188 1 1 12 . 16 1 1 A 9 9 GLY CA C 9 45.198 44.462 0.736 1 1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.925 4.024 -0.099 1 1 14 . 16 1 1 A 9 9 GLY HA3 H 9 3.888 4.024 -0.136 1 1 15 . 16 1 1 A 9 9 GLY C C 9 174.015 172.928 1.087 1 1 16 . 16 1 1 A 10 10 GLU N N 10 120.294 118.669 1.625 1 1 17 . 16 1 1 A 10 10 GLU H H 10 8.193 8.426 -0.233 1 1 18 . 16 1 1 A 10 10 GLU CA C 10 56.635 55.428 1.207 1 1 19 . 16 1 1 A 10 10 GLU HA H 10 4.170 4.954 -0.784 1 1 20 . 16 1 1 A 10 10 GLU CB C 10 30.501 31.887 -1.386 1 1 26 . 16 1 1 A 10 10 GLU C C 10 176.395 176.337 0.058 1 1 27 . 16 1 1 A 11 11 LYS N N 11 122.626 122.632 -0.006 1 1 28 . 16 1 1 A 11 11 LYS H H 11 8.329 8.656 -0.327 1 1 29 . 16 1 1 A 11 11 LYS CA C 11 53.922 54.611 -0.689 1 1 30 . 16 1 1 A 11 11 LYS HA H 11 4.446 4.345 0.101 1 1 31 . 16 1 1 A 11 11 LYS CB C 11 32.479 31.802 0.677 1 1 43 . 16 1 1 A 11 11 LYS C C 11 174.018 176.417 -2.399 1 1 44 . 16 1 1 A 12 12 PRO CA C 12 63.321 63.881 -0.560 1 1 45 . 16 1 1 A 12 12 PRO HA H 12 4.283 4.299 -0.016 1 1 46 . 16 1 1 A 12 12 PRO CB C 12 32.313 31.150 1.163 1 1 55 . 16 1 1 A 12 12 PRO C C 12 176.149 175.854 0.295 1 1 56 . 16 1 1 A 13 13 HIS N N 13 119.256 117.021 2.235 1 1 57 . 16 1 1 A 13 13 HIS H H 13 8.026 7.435 0.591 1 1 58 . 16 1 1 A 13 13 HIS CA C 13 55.275 54.907 0.368 1 1 59 . 16 1 1 A 13 13 HIS HA H 13 4.602 5.082 -0.480 1 1 60 . 16 1 1 A 13 13 HIS CB C 13 30.264 32.052 -1.788 1 1 67 . 16 1 1 A 13 13 HIS C C 13 174.072 173.564 0.508 1 1 68 . 16 1 1 A 14 14 GLU N N 14 124.697 125.455 -0.758 1 1 69 . 16 1 1 A 14 14 GLU H H 14 8.462 9.291 -0.829 1 1 70 . 16 1 1 A 14 14 GLU CA C 14 55.194 54.882 0.312 1 1 71 . 16 1 1 A 14 14 GLU HA H 14 4.702 5.342 -0.640 1 1 72 . 16 1 1 A 14 14 GLU CB C 14 32.794 33.272 -0.478 1 1 78 . 16 1 1 A 14 14 GLU C C 14 175.024 175.322 -0.298 1 1 79 . 16 1 1 A 15 15 CYS N N 15 126.805 125.195 1.610 1 1 80 . 16 1 1 A 15 15 CYS H H 15 9.220 9.306 -0.086 1 1 81 . 16 1 1 A 15 15 CYS CA C 15 59.261 58.026 1.235 1 1 82 . 16 1 1 A 15 15 CYS HA H 15 4.564 4.692 -0.128 1 1 83 . 16 1 1 A 15 15 CYS CB C 15 29.450 27.460 1.990 1 1 86 . 16 1 1 A 15 15 CYS C C 15 177.227 175.638 1.589 1 1 87 . 16 1 1 A 16 16 ARG N N 16 114.338 127.443 -13.105 1 1 88 . 16 1 1 A 16 16 ARG H H 16 9.348 8.760 0.588 1 1 89 . 16 1 1 A 16 16 ARG CA C 16 58.121 58.412 -0.291 1 1 90 . 16 1 1 A 16 16 ARG HA H 16 4.164 4.184 -0.020 1 1 91 . 16 1 1 A 16 16 ARG CB C 16 29.789 29.939 -0.150 1 1 99 . 16 1 1 A 16 16 ARG C C 16 176.716 178.459 -1.743 1 1 100 . 16 1 1 A 17 17 GLU N N 17 119.673 118.327 1.346 1 1 101 . 16 1 1 A 17 17 GLU H H 17 8.516 7.970 0.546 1 1 102 . 16 1 1 A 17 17 GLU CA C 17 58.332 58.828 -0.496 1 1 103 . 16 1 1 A 17 17 GLU HA H 17 4.146 3.937 0.209 1 1 104 . 16 1 1 A 17 17 GLU CB C 17 29.305 29.435 -0.130 1 1 110 . 16 1 1 A 17 17 GLU C C 17 177.290 177.946 -0.656 1 1 111 . 16 1 1 A 18 18 CYS N N 18 114.190 114.960 -0.770 1 1 112 . 16 1 1 A 18 18 CYS H H 18 7.848 7.979 -0.131 1 1 113 . 16 1 1 A 18 18 CYS CA C 18 58.352 59.637 -1.285 1 1 114 . 16 1 1 A 18 18 CYS HA H 18 5.141 4.718 0.423 1 1 115 . 16 1 1 A 18 18 CYS CB C 18 32.546 30.051 2.495 1 1 118 . 16 1 1 A 18 18 CYS C C 18 176.195 175.502 0.693 1 1 119 . 16 1 1 A 19 19 GLY N N 19 113.563 109.841 3.722 1 1 120 . 16 1 1 A 19 19 GLY H H 19 8.233 7.968 0.265 1 1 121 . 16 1 1 A 19 19 GLY CA C 19 46.147 44.934 1.213 1 1 122 . 16 1 1 A 19 19 GLY HA2 H 19 3.839 4.093 -0.254 1 1 123 . 16 1 1 A 19 19 GLY HA3 H 19 4.195 4.103 0.092 1 1 124 . 16 1 1 A 19 19 GLY C C 19 173.979 174.598 -0.619 1 1 125 . 16 1 1 A 20 20 LYS N N 20 122.714 120.861 1.853 1 1 126 . 16 1 1 A 20 20 LYS H H 20 7.906 7.350 0.556 1 1 127 . 16 1 1 A 20 20 LYS CA C 20 57.773 56.273 1.500 1 1 128 . 16 1 1 A 20 20 LYS HA H 20 4.016 4.238 -0.222 1 1 129 . 16 1 1 A 20 20 LYS CB C 20 33.694 33.999 -0.305 1 1 141 . 16 1 1 A 20 20 LYS C C 20 174.181 175.349 -1.168 1 1 142 . 16 1 1 A 21 21 SER N N 21 114.889 112.568 2.321 1 1 143 . 16 1 1 A 21 21 SER H H 21 7.770 8.119 -0.349 1 1 144 . 16 1 1 A 21 21 SER CA C 21 56.643 56.698 -0.055 1 1 145 . 16 1 1 A 21 21 SER HA H 21 5.178 5.500 -0.322 1 1 146 . 16 1 1 A 21 21 SER CB C 21 65.863 65.840 0.023 1 1 149 . 16 1 1 A 21 21 SER C C 21 173.075 172.882 0.193 1 1 150 . 16 1 1 A 22 22 PHE N N 22 118.070 121.108 -3.038 1 1 151 . 16 1 1 A 22 22 PHE H H 22 8.425 9.393 -0.968 1 1 152 . 16 1 1 A 22 22 PHE CA C 22 57.274 56.428 0.846 1 1 153 . 16 1 1 A 22 22 PHE HA H 22 4.717 5.060 -0.343 1 1 154 . 16 1 1 A 22 22 PHE CB C 22 43.580 41.912 1.668 1 1 167 . 16 1 1 A 22 22 PHE C C 22 175.562 175.992 -0.430 1 1 168 . 16 1 1 A 23 23 SER N N 23 117.719 119.765 -2.046 1 1 169 . 16 1 1 A 23 23 SER H H 23 8.890 8.976 -0.086 1 1 170 . 16 1 1 A 23 23 SER CA C 23 61.814 60.856 0.958 1 1 171 . 16 1 1 A 23 23 SER HA H 23 4.259 4.474 -0.215 1 1 172 . 16 1 1 A 23 23 SER CB C 23 63.470 63.399 0.071 1 1 175 . 16 1 1 A 23 23 SER C C 23 173.419 173.980 -0.561 1 1 176 . 16 1 1 A 24 24 PHE N N 24 114.646 118.635 -3.989 1 1 177 . 16 1 1 A 24 24 PHE H H 24 7.747 8.381 -0.634 1 1 178 . 16 1 1 A 24 24 PHE CA C 24 55.800 56.511 -0.711 1 1 179 . 16 1 1 A 24 24 PHE HA H 24 4.891 5.229 -0.338 1 1 180 . 16 1 1 A 24 24 PHE CB C 24 42.497 42.021 0.476 1 1 193 . 16 1 1 A 24 24 PHE C C 24 176.175 175.556 0.619 1 1 194 . 16 1 1 A 25 25 ASN CA C 25 56.980 55.873 1.107 1 1 195 . 16 1 1 A 25 25 ASN HA H 25 3.746 3.617 0.129 1 1 196 . 16 1 1 A 25 25 ASN CB C 25 38.999 38.217 0.782 1 1 202 . 16 1 1 A 26 26 SER CA C 26 61.136 61.887 -0.751 1 1 203 . 16 1 1 A 26 26 SER HA H 26 3.884 4.202 -0.318 1 1 204 . 16 1 1 A 26 26 SER CB C 26 61.259 62.954 -1.695 1 1 207 . 16 1 1 A 26 26 SER C C 26 176.598 176.990 -0.392 1 1 208 . 16 1 1 A 27 27 GLN N N 27 119.387 121.809 -2.422 1 1 209 . 16 1 1 A 27 27 GLN H H 27 6.763 7.947 -1.184 1 1 210 . 16 1 1 A 27 27 GLN CA C 27 57.426 58.646 -1.220 1 1 211 . 16 1 1 A 27 27 GLN HA H 27 3.946 3.925 0.021 1 1 212 . 16 1 1 A 27 27 GLN CB C 27 28.943 28.544 0.399 1 1 221 . 16 1 1 A 27 27 GLN C C 27 178.638 177.723 0.915 1 1 222 . 16 1 1 A 28 28 LEU N N 28 122.438 120.841 1.597 1 1 223 . 16 1 1 A 28 28 LEU H H 28 6.991 7.369 -0.378 1 1 224 . 16 1 1 A 28 28 LEU CA C 28 57.746 57.082 0.664 1 1 225 . 16 1 1 A 28 28 LEU HA H 28 3.313 2.630 0.683 1 1 226 . 16 1 1 A 28 28 LEU CB C 28 40.505 41.732 -1.227 1 1 239 . 16 1 1 A 28 28 LEU C C 28 177.395 178.378 -0.983 1 1 240 . 16 1 1 A 29 29 ILE N N 29 118.379 118.927 -0.548 1 1 241 . 16 1 1 A 29 29 ILE H H 29 7.976 7.735 0.241 1 1 242 . 16 1 1 A 29 29 ILE CA C 29 64.459 64.847 -0.388 1 1 243 . 16 1 1 A 29 29 ILE HA H 29 3.726 3.602 0.124 1 1 244 . 16 1 1 A 29 29 ILE CB C 29 37.373 37.625 -0.252 1 1 257 . 16 1 1 A 29 29 ILE C C 29 178.970 178.324 0.646 1 1 258 . 16 1 1 A 30 30 VAL N N 30 118.496 120.913 -2.417 1 1 259 . 16 1 1 A 30 30 VAL H H 30 7.047 7.988 -0.941 1 1 260 . 16 1 1 A 30 30 VAL CA C 30 66.457 66.120 0.337 1 1 261 . 16 1 1 A 30 30 VAL HA H 30 3.491 3.564 -0.073 1 1 262 . 16 1 1 A 30 30 VAL CB C 30 32.038 31.147 0.891 1 1 272 . 16 1 1 A 30 30 VAL C C 30 178.763 178.096 0.667 1 1 273 . 16 1 1 A 31 31 HIS N N 31 119.928 120.056 -0.128 1 1 274 . 16 1 1 A 31 31 HIS H H 31 7.577 7.673 -0.096 1 1 275 . 16 1 1 A 31 31 HIS CA C 31 59.301 59.429 -0.128 1 1 276 . 16 1 1 A 31 31 HIS HA H 31 4.113 4.205 -0.092 1 1 277 . 16 1 1 A 31 31 HIS CB C 31 28.544 29.968 -1.424 1 1 284 . 16 1 1 A 31 31 HIS C C 31 176.226 177.364 -1.138 1 1 285 . 16 1 1 A 32 32 GLN N N 32 114.793 118.206 -3.413 1 1 286 . 16 1 1 A 32 32 GLN H H 32 8.456 8.467 -0.011 1 1 287 . 16 1 1 A 32 32 GLN CA C 32 59.269 58.924 0.345 1 1 288 . 16 1 1 A 32 32 GLN HA H 32 3.645 3.839 -0.194 1 1 289 . 16 1 1 A 32 32 GLN CB C 32 28.282 28.303 -0.021 1 1 298 . 16 1 1 A 32 32 GLN C C 32 177.376 178.396 -1.020 1 1 299 . 16 1 1 A 33 33 ARG N N 33 117.873 118.134 -0.261 1 1 300 . 16 1 1 A 33 33 ARG H H 33 7.186 7.786 -0.600 1 1 301 . 16 1 1 A 33 33 ARG CA C 33 58.401 58.207 0.194 1 1 302 . 16 1 1 A 33 33 ARG HA H 33 4.125 4.036 0.089 1 1 303 . 16 1 1 A 33 33 ARG CB C 33 30.016 29.973 0.043 1 1 312 . 16 1 1 A 33 33 ARG C C 33 178.684 177.622 1.062 1 1 313 . 16 1 1 A 34 34 ILE N N 34 116.164 115.150 1.014 1 1 314 . 16 1 1 A 34 34 ILE H H 34 7.837 7.818 0.019 1 1 315 . 16 1 1 A 34 34 ILE CA C 34 63.143 64.168 -1.025 1 1 316 . 16 1 1 A 34 34 ILE HA H 34 3.937 3.786 0.151 1 1 317 . 16 1 1 A 34 34 ILE CB C 34 37.689 37.405 0.284 1 1 330 . 16 1 1 A 34 34 ILE C C 34 177.369 178.080 -0.711 1 1 331 . 16 1 1 A 35 35 HIS N N 35 117.537 121.003 -3.466 1 1 332 . 16 1 1 A 35 35 HIS H H 35 7.184 7.737 -0.553 1 1 333 . 16 1 1 A 35 35 HIS CA C 35 55.178 59.548 -4.370 1 1 334 . 16 1 1 A 35 35 HIS HA H 35 4.842 4.378 0.464 1 1 335 . 16 1 1 A 35 35 HIS CB C 35 28.550 29.774 -1.224 1 1 342 . 16 1 1 A 35 35 HIS C C 35 175.800 178.136 -2.336 1 1 343 . 16 1 1 A 36 36 THR N N 36 111.364 113.650 -2.286 1 1 344 . 16 1 1 A 36 36 THR H H 36 7.747 7.890 -0.143 1 1 345 . 16 1 1 A 36 36 THR CA C 36 62.359 65.542 -3.183 1 1 346 . 16 1 1 A 36 36 THR HA H 36 4.337 3.939 0.398 1 1 347 . 16 1 1 A 36 36 THR CB C 36 69.835 68.785 1.050 1 1 353 . 16 1 1 A 36 36 THR C C 36 175.474 176.905 -1.431 1 1 354 . 16 1 1 A 37 37 GLY N N 37 110.552 107.721 2.831 1 1 355 . 16 1 1 A 37 37 GLY H H 37 8.181 8.231 -0.050 1 1 356 . 16 1 1 A 37 37 GLY CA C 37 45.346 46.965 -1.619 1 1 357 . 16 1 1 A 37 37 GLY HA2 H 37 4.001 3.720 0.281 1 1 358 . 16 1 1 A 37 37 GLY HA3 H 37 3.922 3.731 0.191 1 1 359 . 16 1 1 A 37 37 GLY C C 37 174.041 174.100 -0.059 1 1 360 . 16 1 1 A 38 38 GLU N N 38 120.135 118.332 1.803 1 1 361 . 16 1 1 A 38 38 GLU H H 38 8.080 7.684 0.396 1 1 362 . 16 1 1 A 38 38 GLU CA C 38 56.450 54.708 1.742 1 1 363 . 16 1 1 A 38 38 GLU HA H 38 4.205 4.667 -0.462 1 1 364 . 16 1 1 A 38 38 GLU CB C 38 30.467 32.321 -1.854 1 1 370 . 16 1 1 A 38 38 GLU C C 38 175.932 176.380 -0.448 1 1 371 . 16 1 1 A 39 39 ASN N N 39 120.503 120.833 -0.330 1 1 372 . 16 1 1 A 39 39 ASN H H 39 8.511 9.131 -0.620 1 1 373 . 16 1 1 A 39 39 ASN CA C 39 51.313 53.888 -2.575 1 1 374 . 16 1 1 A 39 39 ASN HA H 39 4.931 4.406 0.525 1 1 375 . 16 1 1 A 39 39 ASN CB C 39 38.883 36.965 1.918 1 1 381 . 16 1 1 A 39 39 ASN C C 39 173.367 176.273 -2.906 1 1 382 . 16 1 1 A 40 40 PRO CA C 40 63.564 65.411 -1.847 1 1 383 . 16 1 1 A 40 40 PRO HA H 40 4.419 4.417 0.002 1 1 384 . 16 1 1 A 40 40 PRO CB C 40 32.140 31.455 0.685 1 1 391 . 16 1 1 A 40 40 PRO C C 40 177.061 177.263 -0.202 1 1 392 . 16 1 1 A 41 41 SER N N 41 115.581 111.568 4.013 1 1 393 . 16 1 1 A 41 41 SER H H 41 8.354 7.866 0.488 1 1 394 . 16 1 1 A 41 41 SER CA C 41 58.463 57.270 1.193 1 1 395 . 16 1 1 A 41 41 SER HA H 41 4.442 4.770 -0.328 1 1 396 . 16 1 1 A 41 41 SER CB C 41 63.856 63.780 0.076 1 1 399 . 16 1 1 A 41 41 SER C C 41 174.582 174.180 0.402 1 1 400 . 16 1 1 A 42 42 GLY N N 42 110.438 110.344 0.094 1 1 401 . 16 1 1 A 42 42 GLY H H 42 8.097 7.947 0.150 1 1 402 . 16 1 1 A 42 42 GLY CA C 42 44.649 47.084 -2.435 1 1 403 . 16 1 1 A 42 42 GLY HA2 H 42 4.121 3.901 0.220 1 1 404 . 16 1 1 A 42 42 GLY HA3 H 42 4.072 3.905 0.167 1 1 405 . 16 1 1 A 42 42 GLY C C 42 171.675 175.591 -3.916 1 1 406 . 16 1 1 A 43 43 PRO CA C 43 63.436 65.059 -1.623 1 1 407 . 16 1 1 A 43 43 PRO HA H 43 4.421 4.326 0.095 1 1 408 . 16 1 1 A 43 43 PRO CB C 43 32.168 31.895 0.273 1 1 417 . 16 1 1 A 43 43 PRO C C 43 177.358 178.220 -0.862 1 1 418 . 16 1 1 A 44 44 SER N N 44 116.459 112.648 3.811 1 1 419 . 16 1 1 A 44 44 SER H H 44 8.513 8.171 0.342 1 1 420 . 16 1 1 A 44 44 SER CA C 44 58.367 61.071 -2.704 1 1 421 . 16 1 1 A 44 44 SER HA H 44 4.465 4.276 0.189 1 1 422 . 16 1 1 A 44 44 SER CB C 44 63.692 63.038 0.654 1 1 425 . 16 1 1 A 44 44 SER C C 44 174.649 177.091 -2.442 1 1 426 . 16 1 1 A 45 45 SER N N 45 117.890 116.354 1.536 1 1 427 . 16 1 1 A 45 45 SER H H 45 8.318 8.213 0.105 1 1 1 . 17 1 1 A 8 8 THR CA C 8 61.809 66.591 -4.782 1 1 2 . 17 1 1 A 8 8 THR HA H 8 4.339 3.963 0.376 1 1 3 . 17 1 1 A 8 8 THR CB C 8 69.833 68.578 1.255 1 1 9 . 17 1 1 A 8 8 THR C C 8 175.270 175.079 0.191 1 1 10 . 17 1 1 A 9 9 GLY N N 9 111.063 106.553 4.510 1 1 11 . 17 1 1 A 9 9 GLY H H 9 8.444 7.755 0.689 1 1 12 . 17 1 1 A 9 9 GLY CA C 9 45.198 44.422 0.776 1 1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.925 4.148 -0.223 1 1 14 . 17 1 1 A 9 9 GLY HA3 H 9 3.888 4.148 -0.260 1 1 15 . 17 1 1 A 9 9 GLY C C 9 174.015 172.890 1.125 1 1 16 . 17 1 1 A 10 10 GLU N N 10 120.294 119.871 0.423 1 1 17 . 17 1 1 A 10 10 GLU H H 10 8.193 8.653 -0.460 1 1 18 . 17 1 1 A 10 10 GLU CA C 10 56.635 54.888 1.747 1 1 19 . 17 1 1 A 10 10 GLU HA H 10 4.170 5.015 -0.845 1 1 20 . 17 1 1 A 10 10 GLU CB C 10 30.501 33.966 -3.465 1 1 26 . 17 1 1 A 10 10 GLU C C 10 176.395 175.300 1.095 1 1 27 . 17 1 1 A 11 11 LYS N N 11 122.626 122.693 -0.067 1 1 28 . 17 1 1 A 11 11 LYS H H 11 8.329 8.709 -0.380 1 1 29 . 17 1 1 A 11 11 LYS CA C 11 53.922 53.689 0.233 1 1 30 . 17 1 1 A 11 11 LYS HA H 11 4.446 4.682 -0.236 1 1 31 . 17 1 1 A 11 11 LYS CB C 11 32.479 32.469 0.010 1 1 43 . 17 1 1 A 11 11 LYS C C 11 174.018 176.271 -2.253 1 1 44 . 17 1 1 A 12 12 PRO CA C 12 63.321 63.874 -0.553 1 1 45 . 17 1 1 A 12 12 PRO HA H 12 4.283 4.301 -0.018 1 1 46 . 17 1 1 A 12 12 PRO CB C 12 32.313 31.160 1.153 1 1 55 . 17 1 1 A 12 12 PRO C C 12 176.149 175.848 0.301 1 1 56 . 17 1 1 A 13 13 HIS N N 13 119.256 117.005 2.251 1 1 57 . 17 1 1 A 13 13 HIS H H 13 8.026 7.436 0.590 1 1 58 . 17 1 1 A 13 13 HIS CA C 13 55.275 54.905 0.370 1 1 59 . 17 1 1 A 13 13 HIS HA H 13 4.602 5.085 -0.483 1 1 60 . 17 1 1 A 13 13 HIS CB C 13 30.264 32.194 -1.930 1 1 67 . 17 1 1 A 13 13 HIS C C 13 174.072 173.553 0.519 1 1 68 . 17 1 1 A 14 14 GLU N N 14 124.697 125.464 -0.767 1 1 69 . 17 1 1 A 14 14 GLU H H 14 8.462 9.296 -0.834 1 1 70 . 17 1 1 A 14 14 GLU CA C 14 55.194 54.765 0.429 1 1 71 . 17 1 1 A 14 14 GLU HA H 14 4.702 5.283 -0.581 1 1 72 . 17 1 1 A 14 14 GLU CB C 14 32.794 33.232 -0.438 1 1 78 . 17 1 1 A 14 14 GLU C C 14 175.024 175.158 -0.134 1 1 79 . 17 1 1 A 15 15 CYS N N 15 126.805 125.054 1.751 1 1 80 . 17 1 1 A 15 15 CYS H H 15 9.220 9.258 -0.038 1 1 81 . 17 1 1 A 15 15 CYS CA C 15 59.261 57.977 1.284 1 1 82 . 17 1 1 A 15 15 CYS HA H 15 4.564 4.827 -0.263 1 1 83 . 17 1 1 A 15 15 CYS CB C 15 29.450 28.743 0.707 1 1 86 . 17 1 1 A 15 15 CYS C C 15 177.227 176.253 0.974 1 1 87 . 17 1 1 A 16 16 ARG N N 16 114.338 127.968 -13.630 1 1 88 . 17 1 1 A 16 16 ARG H H 16 9.348 8.982 0.366 1 1 89 . 17 1 1 A 16 16 ARG CA C 16 58.121 58.341 -0.220 1 1 90 . 17 1 1 A 16 16 ARG HA H 16 4.164 4.215 -0.051 1 1 91 . 17 1 1 A 16 16 ARG CB C 16 29.789 30.231 -0.442 1 1 99 . 17 1 1 A 16 16 ARG C C 16 176.716 177.844 -1.128 1 1 100 . 17 1 1 A 17 17 GLU N N 17 119.673 118.338 1.335 1 1 101 . 17 1 1 A 17 17 GLU H H 17 8.516 7.953 0.563 1 1 102 . 17 1 1 A 17 17 GLU CA C 17 58.332 58.853 -0.521 1 1 103 . 17 1 1 A 17 17 GLU HA H 17 4.146 3.919 0.227 1 1 104 . 17 1 1 A 17 17 GLU CB C 17 29.305 29.326 -0.021 1 1 110 . 17 1 1 A 17 17 GLU C C 17 177.290 177.800 -0.510 1 1 111 . 17 1 1 A 18 18 CYS N N 18 114.190 114.832 -0.642 1 1 112 . 17 1 1 A 18 18 CYS H H 18 7.848 7.931 -0.083 1 1 113 . 17 1 1 A 18 18 CYS CA C 18 58.352 59.645 -1.293 1 1 114 . 17 1 1 A 18 18 CYS HA H 18 5.141 4.759 0.382 1 1 115 . 17 1 1 A 18 18 CYS CB C 18 32.546 30.013 2.533 1 1 118 . 17 1 1 A 18 18 CYS C C 18 176.195 175.587 0.608 1 1 119 . 17 1 1 A 19 19 GLY N N 19 113.563 109.781 3.782 1 1 120 . 17 1 1 A 19 19 GLY H H 19 8.233 7.762 0.471 1 1 121 . 17 1 1 A 19 19 GLY CA C 19 46.147 44.926 1.221 1 1 122 . 17 1 1 A 19 19 GLY HA2 H 19 3.839 4.089 -0.250 1 1 123 . 17 1 1 A 19 19 GLY HA3 H 19 4.195 4.099 0.096 1 1 124 . 17 1 1 A 19 19 GLY C C 19 173.979 174.580 -0.601 1 1 125 . 17 1 1 A 20 20 LYS N N 20 122.714 120.941 1.773 1 1 126 . 17 1 1 A 20 20 LYS H H 20 7.906 7.360 0.546 1 1 127 . 17 1 1 A 20 20 LYS CA C 20 57.773 56.262 1.511 1 1 128 . 17 1 1 A 20 20 LYS HA H 20 4.016 4.230 -0.214 1 1 129 . 17 1 1 A 20 20 LYS CB C 20 33.694 33.893 -0.199 1 1 141 . 17 1 1 A 20 20 LYS C C 20 174.181 175.348 -1.167 1 1 142 . 17 1 1 A 21 21 SER N N 21 114.889 112.507 2.382 1 1 143 . 17 1 1 A 21 21 SER H H 21 7.770 8.118 -0.348 1 1 144 . 17 1 1 A 21 21 SER CA C 21 56.643 56.705 -0.062 1 1 145 . 17 1 1 A 21 21 SER HA H 21 5.178 5.462 -0.284 1 1 146 . 17 1 1 A 21 21 SER CB C 21 65.863 65.854 0.009 1 1 149 . 17 1 1 A 21 21 SER C C 21 173.075 172.811 0.264 1 1 150 . 17 1 1 A 22 22 PHE N N 22 118.070 120.836 -2.766 1 1 151 . 17 1 1 A 22 22 PHE H H 22 8.425 9.452 -1.027 1 1 152 . 17 1 1 A 22 22 PHE CA C 22 57.274 56.432 0.842 1 1 153 . 17 1 1 A 22 22 PHE HA H 22 4.717 5.059 -0.342 1 1 154 . 17 1 1 A 22 22 PHE CB C 22 43.580 41.910 1.670 1 1 167 . 17 1 1 A 22 22 PHE C C 22 175.562 175.995 -0.433 1 1 168 . 17 1 1 A 23 23 SER N N 23 117.719 119.763 -2.044 1 1 169 . 17 1 1 A 23 23 SER H H 23 8.890 8.973 -0.083 1 1 170 . 17 1 1 A 23 23 SER CA C 23 61.814 60.852 0.962 1 1 171 . 17 1 1 A 23 23 SER HA H 23 4.259 4.467 -0.208 1 1 172 . 17 1 1 A 23 23 SER CB C 23 63.470 63.384 0.086 1 1 175 . 17 1 1 A 23 23 SER C C 23 173.419 174.013 -0.594 1 1 176 . 17 1 1 A 24 24 PHE N N 24 114.646 118.632 -3.986 1 1 177 . 17 1 1 A 24 24 PHE H H 24 7.747 8.374 -0.627 1 1 178 . 17 1 1 A 24 24 PHE CA C 24 55.800 56.493 -0.693 1 1 179 . 17 1 1 A 24 24 PHE HA H 24 4.891 5.190 -0.299 1 1 180 . 17 1 1 A 24 24 PHE CB C 24 42.497 41.913 0.584 1 1 193 . 17 1 1 A 24 24 PHE C C 24 176.175 175.568 0.607 1 1 194 . 17 1 1 A 25 25 ASN CA C 25 56.980 55.875 1.105 1 1 195 . 17 1 1 A 25 25 ASN HA H 25 3.746 3.554 0.192 1 1 196 . 17 1 1 A 25 25 ASN CB C 25 38.999 38.204 0.795 1 1 202 . 17 1 1 A 26 26 SER CA C 26 61.136 61.827 -0.691 1 1 203 . 17 1 1 A 26 26 SER HA H 26 3.884 4.191 -0.307 1 1 204 . 17 1 1 A 26 26 SER CB C 26 61.259 63.046 -1.787 1 1 207 . 17 1 1 A 26 26 SER C C 26 176.598 176.982 -0.384 1 1 208 . 17 1 1 A 27 27 GLN N N 27 119.387 121.758 -2.371 1 1 209 . 17 1 1 A 27 27 GLN H H 27 6.763 7.968 -1.205 1 1 210 . 17 1 1 A 27 27 GLN CA C 27 57.426 58.637 -1.211 1 1 211 . 17 1 1 A 27 27 GLN HA H 27 3.946 3.927 0.019 1 1 212 . 17 1 1 A 27 27 GLN CB C 27 28.943 28.543 0.400 1 1 221 . 17 1 1 A 27 27 GLN C C 27 178.638 177.686 0.952 1 1 222 . 17 1 1 A 28 28 LEU N N 28 122.438 120.840 1.598 1 1 223 . 17 1 1 A 28 28 LEU H H 28 6.991 7.382 -0.391 1 1 224 . 17 1 1 A 28 28 LEU CA C 28 57.746 57.022 0.724 1 1 225 . 17 1 1 A 28 28 LEU HA H 28 3.313 2.480 0.833 1 1 226 . 17 1 1 A 28 28 LEU CB C 28 40.505 41.791 -1.286 1 1 239 . 17 1 1 A 28 28 LEU C C 28 177.395 178.354 -0.959 1 1 240 . 17 1 1 A 29 29 ILE N N 29 118.379 118.856 -0.477 1 1 241 . 17 1 1 A 29 29 ILE H H 29 7.976 7.739 0.237 1 1 242 . 17 1 1 A 29 29 ILE CA C 29 64.459 64.802 -0.343 1 1 243 . 17 1 1 A 29 29 ILE HA H 29 3.726 3.595 0.131 1 1 244 . 17 1 1 A 29 29 ILE CB C 29 37.373 37.231 0.142 1 1 257 . 17 1 1 A 29 29 ILE C C 29 178.970 178.349 0.621 1 1 258 . 17 1 1 A 30 30 VAL N N 30 118.496 121.159 -2.663 1 1 259 . 17 1 1 A 30 30 VAL H H 30 7.047 8.056 -1.009 1 1 260 . 17 1 1 A 30 30 VAL CA C 30 66.457 66.124 0.333 1 1 261 . 17 1 1 A 30 30 VAL HA H 30 3.491 3.567 -0.076 1 1 262 . 17 1 1 A 30 30 VAL CB C 30 32.038 31.157 0.881 1 1 272 . 17 1 1 A 30 30 VAL C C 30 178.763 178.128 0.635 1 1 273 . 17 1 1 A 31 31 HIS N N 31 119.928 120.188 -0.260 1 1 274 . 17 1 1 A 31 31 HIS H H 31 7.577 7.698 -0.121 1 1 275 . 17 1 1 A 31 31 HIS CA C 31 59.301 59.454 -0.153 1 1 276 . 17 1 1 A 31 31 HIS HA H 31 4.113 4.215 -0.102 1 1 277 . 17 1 1 A 31 31 HIS CB C 31 28.544 29.903 -1.359 1 1 284 . 17 1 1 A 31 31 HIS C C 31 176.226 177.363 -1.137 1 1 285 . 17 1 1 A 32 32 GLN N N 32 114.793 118.248 -3.455 1 1 286 . 17 1 1 A 32 32 GLN H H 32 8.456 8.479 -0.023 1 1 287 . 17 1 1 A 32 32 GLN CA C 32 59.269 59.123 0.146 1 1 288 . 17 1 1 A 32 32 GLN HA H 32 3.645 3.885 -0.240 1 1 289 . 17 1 1 A 32 32 GLN CB C 32 28.282 28.261 0.021 1 1 298 . 17 1 1 A 32 32 GLN C C 32 177.376 178.333 -0.957 1 1 299 . 17 1 1 A 33 33 ARG N N 33 117.873 118.301 -0.428 1 1 300 . 17 1 1 A 33 33 ARG H H 33 7.186 7.809 -0.623 1 1 301 . 17 1 1 A 33 33 ARG CA C 33 58.401 58.160 0.241 1 1 302 . 17 1 1 A 33 33 ARG HA H 33 4.125 4.079 0.046 1 1 303 . 17 1 1 A 33 33 ARG CB C 33 30.016 29.926 0.090 1 1 312 . 17 1 1 A 33 33 ARG C C 33 178.684 177.491 1.193 1 1 313 . 17 1 1 A 34 34 ILE N N 34 116.164 114.965 1.199 1 1 314 . 17 1 1 A 34 34 ILE H H 34 7.837 7.784 0.053 1 1 315 . 17 1 1 A 34 34 ILE CA C 34 63.143 64.115 -0.972 1 1 316 . 17 1 1 A 34 34 ILE HA H 34 3.937 3.788 0.149 1 1 317 . 17 1 1 A 34 34 ILE CB C 34 37.689 37.418 0.271 1 1 330 . 17 1 1 A 34 34 ILE C C 34 177.369 178.147 -0.778 1 1 331 . 17 1 1 A 35 35 HIS N N 35 117.537 120.780 -3.243 1 1 332 . 17 1 1 A 35 35 HIS H H 35 7.184 7.620 -0.436 1 1 333 . 17 1 1 A 35 35 HIS CA C 35 55.178 59.411 -4.233 1 1 334 . 17 1 1 A 35 35 HIS HA H 35 4.842 4.592 0.250 1 1 335 . 17 1 1 A 35 35 HIS CB C 35 28.550 29.807 -1.257 1 1 342 . 17 1 1 A 35 35 HIS C C 35 175.800 177.676 -1.876 1 1 343 . 17 1 1 A 36 36 THR N N 36 111.364 113.994 -2.630 1 1 344 . 17 1 1 A 36 36 THR H H 36 7.747 7.998 -0.251 1 1 345 . 17 1 1 A 36 36 THR CA C 36 62.359 65.708 -3.349 1 1 346 . 17 1 1 A 36 36 THR HA H 36 4.337 3.911 0.426 1 1 347 . 17 1 1 A 36 36 THR CB C 36 69.835 68.826 1.009 1 1 353 . 17 1 1 A 36 36 THR C C 36 175.474 176.783 -1.309 1 1 354 . 17 1 1 A 37 37 GLY N N 37 110.552 107.125 3.427 1 1 355 . 17 1 1 A 37 37 GLY H H 37 8.181 8.085 0.096 1 1 356 . 17 1 1 A 37 37 GLY CA C 37 45.346 46.305 -0.959 1 1 357 . 17 1 1 A 37 37 GLY HA2 H 37 4.001 3.866 0.135 1 1 358 . 17 1 1 A 37 37 GLY HA3 H 37 3.922 3.878 0.044 1 1 359 . 17 1 1 A 37 37 GLY C C 37 174.041 173.986 0.055 1 1 360 . 17 1 1 A 38 38 GLU N N 38 120.135 119.059 1.076 1 1 361 . 17 1 1 A 38 38 GLU H H 38 8.080 7.532 0.548 1 1 362 . 17 1 1 A 38 38 GLU CA C 38 56.450 55.502 0.948 1 1 363 . 17 1 1 A 38 38 GLU HA H 38 4.205 4.713 -0.508 1 1 364 . 17 1 1 A 38 38 GLU CB C 38 30.467 31.306 -0.839 1 1 370 . 17 1 1 A 38 38 GLU C C 38 175.932 175.655 0.277 1 1 371 . 17 1 1 A 39 39 ASN N N 39 120.503 119.244 1.259 1 1 372 . 17 1 1 A 39 39 ASN H H 39 8.511 8.632 -0.121 1 1 373 . 17 1 1 A 39 39 ASN CA C 39 51.313 50.859 0.454 1 1 374 . 17 1 1 A 39 39 ASN HA H 39 4.931 5.143 -0.212 1 1 375 . 17 1 1 A 39 39 ASN CB C 39 38.883 38.220 0.663 1 1 381 . 17 1 1 A 39 39 ASN C C 39 173.367 173.341 0.026 1 1 382 . 17 1 1 A 40 40 PRO CA C 40 63.564 62.505 1.059 1 1 383 . 17 1 1 A 40 40 PRO HA H 40 4.419 4.592 -0.173 1 1 384 . 17 1 1 A 40 40 PRO CB C 40 32.140 33.140 -1.000 1 1 391 . 17 1 1 A 40 40 PRO C C 40 177.061 176.597 0.464 1 1 392 . 17 1 1 A 41 41 SER N N 41 115.581 116.056 -0.475 1 1 393 . 17 1 1 A 41 41 SER H H 41 8.354 8.531 -0.177 1 1 394 . 17 1 1 A 41 41 SER CA C 41 58.463 58.036 0.427 1 1 395 . 17 1 1 A 41 41 SER HA H 41 4.442 4.595 -0.153 1 1 396 . 17 1 1 A 41 41 SER CB C 41 63.856 61.069 2.787 1 1 399 . 17 1 1 A 41 41 SER C C 41 174.582 174.857 -0.275 1 1 400 . 17 1 1 A 42 42 GLY N N 42 110.438 109.824 0.614 1 1 401 . 17 1 1 A 42 42 GLY H H 42 8.097 8.279 -0.182 1 1 402 . 17 1 1 A 42 42 GLY CA C 42 44.649 45.941 -1.292 1 1 403 . 17 1 1 A 42 42 GLY HA2 H 42 4.121 4.094 0.027 1 1 404 . 17 1 1 A 42 42 GLY HA3 H 42 4.072 4.094 -0.022 1 1 405 . 17 1 1 A 42 42 GLY C C 42 171.675 173.981 -2.306 1 1 406 . 17 1 1 A 43 43 PRO CA C 43 63.436 65.271 -1.835 1 1 407 . 17 1 1 A 43 43 PRO HA H 43 4.421 4.300 0.121 1 1 408 . 17 1 1 A 43 43 PRO CB C 43 32.168 31.309 0.859 1 1 417 . 17 1 1 A 43 43 PRO C C 43 177.358 176.802 0.556 1 1 418 . 17 1 1 A 44 44 SER N N 44 116.459 114.201 2.258 1 1 419 . 17 1 1 A 44 44 SER H H 44 8.513 7.960 0.553 1 1 420 . 17 1 1 A 44 44 SER CA C 44 58.367 58.349 0.018 1 1 421 . 17 1 1 A 44 44 SER HA H 44 4.465 4.370 0.095 1 1 422 . 17 1 1 A 44 44 SER CB C 44 63.692 64.035 -0.343 1 1 425 . 17 1 1 A 44 44 SER C C 44 174.649 175.046 -0.397 1 1 426 . 17 1 1 A 45 45 SER N N 45 117.890 121.735 -3.845 1 1 427 . 17 1 1 A 45 45 SER H H 45 8.318 8.991 -0.673 1 1 1 . 18 1 1 A 8 8 THR CA C 8 61.809 60.638 1.171 1 1 2 . 18 1 1 A 8 8 THR HA H 8 4.339 4.782 -0.443 1 1 3 . 18 1 1 A 8 8 THR CB C 8 69.833 70.722 -0.889 1 1 9 . 18 1 1 A 8 8 THR C C 8 175.270 174.535 0.735 1 1 10 . 18 1 1 A 9 9 GLY N N 9 111.063 111.005 0.058 1 1 11 . 18 1 1 A 9 9 GLY H H 9 8.444 8.514 -0.070 1 1 12 . 18 1 1 A 9 9 GLY CA C 9 45.198 44.695 0.503 1 1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.925 4.069 -0.144 1 1 14 . 18 1 1 A 9 9 GLY HA3 H 9 3.888 4.071 -0.183 1 1 15 . 18 1 1 A 9 9 GLY C C 9 174.015 173.930 0.085 1 1 16 . 18 1 1 A 10 10 GLU N N 10 120.294 122.079 -1.785 1 1 17 . 18 1 1 A 10 10 GLU H H 10 8.193 8.538 -0.345 1 1 18 . 18 1 1 A 10 10 GLU CA C 10 56.635 56.878 -0.243 1 1 19 . 18 1 1 A 10 10 GLU HA H 10 4.170 4.228 -0.058 1 1 20 . 18 1 1 A 10 10 GLU CB C 10 30.501 30.747 -0.246 1 1 26 . 18 1 1 A 10 10 GLU C C 10 176.395 175.896 0.499 1 1 27 . 18 1 1 A 11 11 LYS N N 11 122.626 120.599 2.027 1 1 28 . 18 1 1 A 11 11 LYS H H 11 8.329 8.641 -0.312 1 1 29 . 18 1 1 A 11 11 LYS CA C 11 53.922 53.464 0.458 1 1 30 . 18 1 1 A 11 11 LYS HA H 11 4.446 4.682 -0.236 1 1 31 . 18 1 1 A 11 11 LYS CB C 11 32.479 32.708 -0.229 1 1 43 . 18 1 1 A 11 11 LYS C C 11 174.018 176.384 -2.366 1 1 44 . 18 1 1 A 12 12 PRO CA C 12 63.321 64.078 -0.757 1 1 45 . 18 1 1 A 12 12 PRO HA H 12 4.283 4.363 -0.080 1 1 46 . 18 1 1 A 12 12 PRO CB C 12 32.313 31.296 1.017 1 1 55 . 18 1 1 A 12 12 PRO C C 12 176.149 176.032 0.117 1 1 56 . 18 1 1 A 13 13 HIS N N 13 119.256 117.258 1.998 1 1 57 . 18 1 1 A 13 13 HIS H H 13 8.026 7.655 0.371 1 1 58 . 18 1 1 A 13 13 HIS CA C 13 55.275 54.647 0.628 1 1 59 . 18 1 1 A 13 13 HIS HA H 13 4.602 5.005 -0.403 1 1 60 . 18 1 1 A 13 13 HIS CB C 13 30.264 30.777 -0.513 1 1 67 . 18 1 1 A 13 13 HIS C C 13 174.072 173.647 0.425 1 1 68 . 18 1 1 A 14 14 GLU N N 14 124.697 125.481 -0.784 1 1 69 . 18 1 1 A 14 14 GLU H H 14 8.462 9.136 -0.674 1 1 70 . 18 1 1 A 14 14 GLU CA C 14 55.194 55.428 -0.234 1 1 71 . 18 1 1 A 14 14 GLU HA H 14 4.702 5.157 -0.455 1 1 72 . 18 1 1 A 14 14 GLU CB C 14 32.794 31.410 1.384 1 1 78 . 18 1 1 A 14 14 GLU C C 14 175.024 175.770 -0.746 1 1 79 . 18 1 1 A 15 15 CYS N N 15 126.805 125.033 1.772 1 1 80 . 18 1 1 A 15 15 CYS H H 15 9.220 9.331 -0.111 1 1 81 . 18 1 1 A 15 15 CYS CA C 15 59.261 58.140 1.121 1 1 82 . 18 1 1 A 15 15 CYS HA H 15 4.564 4.672 -0.108 1 1 83 . 18 1 1 A 15 15 CYS CB C 15 29.450 27.507 1.943 1 1 86 . 18 1 1 A 15 15 CYS C C 15 177.227 175.693 1.534 1 1 87 . 18 1 1 A 16 16 ARG N N 16 114.338 128.233 -13.895 1 1 88 . 18 1 1 A 16 16 ARG H H 16 9.348 8.676 0.672 1 1 89 . 18 1 1 A 16 16 ARG CA C 16 58.121 58.678 -0.557 1 1 90 . 18 1 1 A 16 16 ARG HA H 16 4.164 3.954 0.210 1 1 91 . 18 1 1 A 16 16 ARG CB C 16 29.789 30.149 -0.360 1 1 99 . 18 1 1 A 16 16 ARG C C 16 176.716 177.798 -1.082 1 1 100 . 18 1 1 A 17 17 GLU N N 17 119.673 117.764 1.909 1 1 101 . 18 1 1 A 17 17 GLU H H 17 8.516 7.793 0.723 1 1 102 . 18 1 1 A 17 17 GLU CA C 17 58.332 58.657 -0.325 1 1 103 . 18 1 1 A 17 17 GLU HA H 17 4.146 3.885 0.261 1 1 104 . 18 1 1 A 17 17 GLU CB C 17 29.305 29.150 0.155 1 1 110 . 18 1 1 A 17 17 GLU C C 17 177.290 177.905 -0.615 1 1 111 . 18 1 1 A 18 18 CYS N N 18 114.190 114.821 -0.631 1 1 112 . 18 1 1 A 18 18 CYS H H 18 7.848 8.001 -0.153 1 1 113 . 18 1 1 A 18 18 CYS CA C 18 58.352 59.455 -1.103 1 1 114 . 18 1 1 A 18 18 CYS HA H 18 5.141 4.720 0.421 1 1 115 . 18 1 1 A 18 18 CYS CB C 18 32.546 30.081 2.465 1 1 118 . 18 1 1 A 18 18 CYS C C 18 176.195 175.577 0.618 1 1 119 . 18 1 1 A 19 19 GLY N N 19 113.563 109.826 3.737 1 1 120 . 18 1 1 A 19 19 GLY H H 19 8.233 8.121 0.112 1 1 121 . 18 1 1 A 19 19 GLY CA C 19 46.147 45.133 1.014 1 1 122 . 18 1 1 A 19 19 GLY HA2 H 19 3.839 4.056 -0.217 1 1 123 . 18 1 1 A 19 19 GLY HA3 H 19 4.195 4.064 0.131 1 1 124 . 18 1 1 A 19 19 GLY C C 19 173.979 174.747 -0.768 1 1 125 . 18 1 1 A 20 20 LYS N N 20 122.714 121.435 1.279 1 1 126 . 18 1 1 A 20 20 LYS H H 20 7.906 7.554 0.352 1 1 127 . 18 1 1 A 20 20 LYS CA C 20 57.773 56.730 1.043 1 1 128 . 18 1 1 A 20 20 LYS HA H 20 4.016 4.193 -0.177 1 1 129 . 18 1 1 A 20 20 LYS CB C 20 33.694 33.802 -0.108 1 1 141 . 18 1 1 A 20 20 LYS C C 20 174.181 174.865 -0.684 1 1 142 . 18 1 1 A 21 21 SER N N 21 114.889 115.094 -0.205 1 1 143 . 18 1 1 A 21 21 SER H H 21 7.770 8.265 -0.495 1 1 144 . 18 1 1 A 21 21 SER CA C 21 56.643 57.328 -0.685 1 1 145 . 18 1 1 A 21 21 SER HA H 21 5.178 5.307 -0.129 1 1 146 . 18 1 1 A 21 21 SER CB C 21 65.863 66.608 -0.745 1 1 149 . 18 1 1 A 21 21 SER C C 21 173.075 172.801 0.274 1 1 150 . 18 1 1 A 22 22 PHE N N 22 118.070 123.178 -5.108 1 1 151 . 18 1 1 A 22 22 PHE H H 22 8.425 9.379 -0.954 1 1 152 . 18 1 1 A 22 22 PHE CA C 22 57.274 57.010 0.264 1 1 153 . 18 1 1 A 22 22 PHE HA H 22 4.717 4.989 -0.272 1 1 154 . 18 1 1 A 22 22 PHE CB C 22 43.580 42.602 0.978 1 1 167 . 18 1 1 A 22 22 PHE C C 22 175.562 176.022 -0.460 1 1 168 . 18 1 1 A 23 23 SER N N 23 117.719 117.036 0.683 1 1 169 . 18 1 1 A 23 23 SER H H 23 8.890 8.768 0.122 1 1 170 . 18 1 1 A 23 23 SER CA C 23 61.814 61.661 0.153 1 1 171 . 18 1 1 A 23 23 SER HA H 23 4.259 4.538 -0.279 1 1 172 . 18 1 1 A 23 23 SER CB C 23 63.470 64.057 -0.587 1 1 175 . 18 1 1 A 23 23 SER C C 23 173.419 174.911 -1.492 1 1 176 . 18 1 1 A 24 24 PHE N N 24 114.646 117.968 -3.322 1 1 177 . 18 1 1 A 24 24 PHE H H 24 7.747 8.418 -0.671 1 1 178 . 18 1 1 A 24 24 PHE CA C 24 55.800 56.338 -0.538 1 1 179 . 18 1 1 A 24 24 PHE HA H 24 4.891 5.126 -0.235 1 1 180 . 18 1 1 A 24 24 PHE CB C 24 42.497 41.615 0.882 1 1 193 . 18 1 1 A 24 24 PHE C C 24 176.175 175.661 0.514 1 1 194 . 18 1 1 A 25 25 ASN CA C 25 56.980 56.112 0.868 1 1 195 . 18 1 1 A 25 25 ASN HA H 25 3.746 3.499 0.247 1 1 196 . 18 1 1 A 25 25 ASN CB C 25 38.999 38.339 0.660 1 1 202 . 18 1 1 A 26 26 SER CA C 26 61.136 61.810 -0.674 1 1 203 . 18 1 1 A 26 26 SER HA H 26 3.884 4.221 -0.337 1 1 204 . 18 1 1 A 26 26 SER CB C 26 61.259 62.813 -1.554 1 1 207 . 18 1 1 A 26 26 SER C C 26 176.598 177.085 -0.487 1 1 208 . 18 1 1 A 27 27 GLN N N 27 119.387 121.517 -2.130 1 1 209 . 18 1 1 A 27 27 GLN H H 27 6.763 8.152 -1.389 1 1 210 . 18 1 1 A 27 27 GLN CA C 27 57.426 58.740 -1.314 1 1 211 . 18 1 1 A 27 27 GLN HA H 27 3.946 3.914 0.032 1 1 212 . 18 1 1 A 27 27 GLN CB C 27 28.943 28.542 0.401 1 1 221 . 18 1 1 A 27 27 GLN C C 27 178.638 177.701 0.937 1 1 222 . 18 1 1 A 28 28 LEU N N 28 122.438 120.799 1.639 1 1 223 . 18 1 1 A 28 28 LEU H H 28 6.991 7.431 -0.440 1 1 224 . 18 1 1 A 28 28 LEU CA C 28 57.746 57.125 0.621 1 1 225 . 18 1 1 A 28 28 LEU HA H 28 3.313 2.622 0.691 1 1 226 . 18 1 1 A 28 28 LEU CB C 28 40.505 41.837 -1.332 1 1 239 . 18 1 1 A 28 28 LEU C C 28 177.395 178.431 -1.036 1 1 240 . 18 1 1 A 29 29 ILE N N 29 118.379 119.086 -0.707 1 1 241 . 18 1 1 A 29 29 ILE H H 29 7.976 7.752 0.224 1 1 242 . 18 1 1 A 29 29 ILE CA C 29 64.459 64.950 -0.491 1 1 243 . 18 1 1 A 29 29 ILE HA H 29 3.726 3.599 0.127 1 1 244 . 18 1 1 A 29 29 ILE CB C 29 37.373 37.608 -0.235 1 1 257 . 18 1 1 A 29 29 ILE C C 29 178.970 178.175 0.795 1 1 258 . 18 1 1 A 30 30 VAL N N 30 118.496 120.043 -1.547 1 1 259 . 18 1 1 A 30 30 VAL H H 30 7.047 7.778 -0.731 1 1 260 . 18 1 1 A 30 30 VAL CA C 30 66.457 66.409 0.048 1 1 261 . 18 1 1 A 30 30 VAL HA H 30 3.491 3.536 -0.045 1 1 262 . 18 1 1 A 30 30 VAL CB C 30 32.038 31.515 0.523 1 1 272 . 18 1 1 A 30 30 VAL C C 30 178.763 178.064 0.699 1 1 273 . 18 1 1 A 31 31 HIS N N 31 119.928 120.082 -0.154 1 1 274 . 18 1 1 A 31 31 HIS H H 31 7.577 7.714 -0.137 1 1 275 . 18 1 1 A 31 31 HIS CA C 31 59.301 59.538 -0.237 1 1 276 . 18 1 1 A 31 31 HIS HA H 31 4.113 4.226 -0.113 1 1 277 . 18 1 1 A 31 31 HIS CB C 31 28.544 29.961 -1.417 1 1 284 . 18 1 1 A 31 31 HIS C C 31 176.226 177.402 -1.176 1 1 285 . 18 1 1 A 32 32 GLN N N 32 114.793 118.220 -3.427 1 1 286 . 18 1 1 A 32 32 GLN H H 32 8.456 8.397 0.059 1 1 287 . 18 1 1 A 32 32 GLN CA C 32 59.269 58.940 0.329 1 1 288 . 18 1 1 A 32 32 GLN HA H 32 3.645 3.872 -0.227 1 1 289 . 18 1 1 A 32 32 GLN CB C 32 28.282 28.314 -0.032 1 1 298 . 18 1 1 A 32 32 GLN C C 32 177.376 178.411 -1.035 1 1 299 . 18 1 1 A 33 33 ARG N N 33 117.873 118.141 -0.268 1 1 300 . 18 1 1 A 33 33 ARG H H 33 7.186 7.308 -0.122 1 1 301 . 18 1 1 A 33 33 ARG CA C 33 58.401 58.151 0.250 1 1 302 . 18 1 1 A 33 33 ARG HA H 33 4.125 4.054 0.071 1 1 303 . 18 1 1 A 33 33 ARG CB C 33 30.016 30.012 0.004 1 1 312 . 18 1 1 A 33 33 ARG C C 33 178.684 177.714 0.970 1 1 313 . 18 1 1 A 34 34 ILE N N 34 116.164 115.320 0.844 1 1 314 . 18 1 1 A 34 34 ILE H H 34 7.837 7.785 0.052 1 1 315 . 18 1 1 A 34 34 ILE CA C 34 63.143 64.182 -1.039 1 1 316 . 18 1 1 A 34 34 ILE HA H 34 3.937 3.750 0.187 1 1 317 . 18 1 1 A 34 34 ILE CB C 34 37.689 37.332 0.357 1 1 330 . 18 1 1 A 34 34 ILE C C 34 177.369 178.071 -0.702 1 1 331 . 18 1 1 A 35 35 HIS N N 35 117.537 120.660 -3.123 1 1 332 . 18 1 1 A 35 35 HIS H H 35 7.184 7.797 -0.613 1 1 333 . 18 1 1 A 35 35 HIS CA C 35 55.178 59.668 -4.490 1 1 334 . 18 1 1 A 35 35 HIS HA H 35 4.842 4.305 0.537 1 1 335 . 18 1 1 A 35 35 HIS CB C 35 28.550 30.054 -1.504 1 1 342 . 18 1 1 A 35 35 HIS C C 35 175.800 176.687 -0.887 1 1 343 . 18 1 1 A 36 36 THR N N 36 111.364 111.934 -0.570 1 1 344 . 18 1 1 A 36 36 THR H H 36 7.747 7.539 0.208 1 1 345 . 18 1 1 A 36 36 THR CA C 36 62.359 61.619 0.740 1 1 346 . 18 1 1 A 36 36 THR HA H 36 4.337 4.283 0.054 1 1 347 . 18 1 1 A 36 36 THR CB C 36 69.835 67.545 2.290 1 1 353 . 18 1 1 A 36 36 THR C C 36 175.474 175.566 -0.092 1 1 354 . 18 1 1 A 37 37 GLY N N 37 110.552 110.516 0.036 1 1 355 . 18 1 1 A 37 37 GLY H H 37 8.181 7.911 0.270 1 1 356 . 18 1 1 A 37 37 GLY CA C 37 45.346 45.648 -0.302 1 1 357 . 18 1 1 A 37 37 GLY HA2 H 37 4.001 4.060 -0.059 1 1 358 . 18 1 1 A 37 37 GLY HA3 H 37 3.922 4.071 -0.149 1 1 359 . 18 1 1 A 37 37 GLY C C 37 174.041 174.207 -0.166 1 1 360 . 18 1 1 A 38 38 GLU N N 38 120.135 121.998 -1.863 1 1 361 . 18 1 1 A 38 38 GLU H H 38 8.080 7.264 0.816 1 1 362 . 18 1 1 A 38 38 GLU CA C 38 56.450 56.631 -0.181 1 1 363 . 18 1 1 A 38 38 GLU HA H 38 4.205 4.273 -0.068 1 1 364 . 18 1 1 A 38 38 GLU CB C 38 30.467 29.853 0.614 1 1 370 . 18 1 1 A 38 38 GLU C C 38 175.932 176.056 -0.124 1 1 371 . 18 1 1 A 39 39 ASN N N 39 120.503 124.849 -4.346 1 1 372 . 18 1 1 A 39 39 ASN H H 39 8.511 8.550 -0.039 1 1 373 . 18 1 1 A 39 39 ASN CA C 39 51.313 51.873 -0.560 1 1 374 . 18 1 1 A 39 39 ASN HA H 39 4.931 4.948 -0.017 1 1 375 . 18 1 1 A 39 39 ASN CB C 39 38.883 37.899 0.984 1 1 381 . 18 1 1 A 39 39 ASN C C 39 173.367 174.625 -1.258 1 1 382 . 18 1 1 A 40 40 PRO CA C 40 63.564 62.431 1.133 1 1 383 . 18 1 1 A 40 40 PRO HA H 40 4.419 4.560 -0.141 1 1 384 . 18 1 1 A 40 40 PRO CB C 40 32.140 33.148 -1.008 1 1 391 . 18 1 1 A 40 40 PRO C C 40 177.061 177.660 -0.599 1 1 392 . 18 1 1 A 41 41 SER N N 41 115.581 115.524 0.057 1 1 393 . 18 1 1 A 41 41 SER H H 41 8.354 8.665 -0.311 1 1 394 . 18 1 1 A 41 41 SER CA C 41 58.463 60.687 -2.224 1 1 395 . 18 1 1 A 41 41 SER HA H 41 4.442 4.097 0.345 1 1 396 . 18 1 1 A 41 41 SER CB C 41 63.856 63.087 0.769 1 1 399 . 18 1 1 A 41 41 SER C C 41 174.582 175.082 -0.500 1 1 400 . 18 1 1 A 42 42 GLY N N 42 110.438 107.477 2.961 1 1 401 . 18 1 1 A 42 42 GLY H H 42 8.097 7.341 0.756 1 1 402 . 18 1 1 A 42 42 GLY CA C 42 44.649 45.652 -1.003 1 1 403 . 18 1 1 A 42 42 GLY HA2 H 42 4.121 4.188 -0.067 1 1 404 . 18 1 1 A 42 42 GLY HA3 H 42 4.072 4.188 -0.116 1 1 405 . 18 1 1 A 42 42 GLY C C 42 171.675 173.295 -1.620 1 1 406 . 18 1 1 A 43 43 PRO CA C 43 63.436 64.186 -0.750 1 1 407 . 18 1 1 A 43 43 PRO HA H 43 4.421 4.561 -0.140 1 1 408 . 18 1 1 A 43 43 PRO CB C 43 32.168 31.732 0.436 1 1 417 . 18 1 1 A 43 43 PRO C C 43 177.358 176.887 0.471 1 1 418 . 18 1 1 A 44 44 SER N N 44 116.459 112.975 3.484 1 1 419 . 18 1 1 A 44 44 SER H H 44 8.513 7.867 0.646 1 1 420 . 18 1 1 A 44 44 SER CA C 44 58.367 57.485 0.882 1 1 421 . 18 1 1 A 44 44 SER HA H 44 4.465 4.543 -0.078 1 1 422 . 18 1 1 A 44 44 SER CB C 44 63.692 61.874 1.818 1 1 425 . 18 1 1 A 44 44 SER C C 44 174.649 173.221 1.428 1 1 426 . 18 1 1 A 45 45 SER N N 45 117.890 120.720 -2.830 1 1 427 . 18 1 1 A 45 45 SER H H 45 8.318 7.772 0.546 1 1 1 . 19 1 1 A 8 8 THR CA C 8 61.809 59.511 2.298 1 1 2 . 19 1 1 A 8 8 THR HA H 8 4.339 4.949 -0.610 1 1 3 . 19 1 1 A 8 8 THR CB C 8 69.833 71.741 -1.908 1 1 9 . 19 1 1 A 8 8 THR C C 8 175.270 174.104 1.166 1 1 10 . 19 1 1 A 9 9 GLY N N 9 111.063 112.727 -1.664 1 1 11 . 19 1 1 A 9 9 GLY H H 9 8.444 8.542 -0.098 1 1 12 . 19 1 1 A 9 9 GLY CA C 9 45.198 46.730 -1.532 1 1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.925 3.841 0.084 1 1 14 . 19 1 1 A 9 9 GLY HA3 H 9 3.888 3.858 0.030 1 1 15 . 19 1 1 A 9 9 GLY C C 9 174.015 174.691 -0.676 1 1 16 . 19 1 1 A 10 10 GLU N N 10 120.294 120.249 0.045 1 1 17 . 19 1 1 A 10 10 GLU H H 10 8.193 7.792 0.401 1 1 18 . 19 1 1 A 10 10 GLU CA C 10 56.635 55.401 1.234 1 1 19 . 19 1 1 A 10 10 GLU HA H 10 4.170 4.397 -0.227 1 1 20 . 19 1 1 A 10 10 GLU CB C 10 30.501 28.273 2.228 1 1 26 . 19 1 1 A 10 10 GLU C C 10 176.395 174.823 1.572 1 1 27 . 19 1 1 A 11 11 LYS N N 11 122.626 124.259 -1.633 1 1 28 . 19 1 1 A 11 11 LYS H H 11 8.329 7.371 0.958 1 1 29 . 19 1 1 A 11 11 LYS CA C 11 53.922 53.126 0.796 1 1 30 . 19 1 1 A 11 11 LYS HA H 11 4.446 4.811 -0.365 1 1 31 . 19 1 1 A 11 11 LYS CB C 11 32.479 34.387 -1.908 1 1 43 . 19 1 1 A 11 11 LYS C C 11 174.018 176.224 -2.206 1 1 44 . 19 1 1 A 12 12 PRO CA C 12 63.321 63.694 -0.373 1 1 45 . 19 1 1 A 12 12 PRO HA H 12 4.283 4.327 -0.044 1 1 46 . 19 1 1 A 12 12 PRO CB C 12 32.313 31.040 1.273 1 1 55 . 19 1 1 A 12 12 PRO C C 12 176.149 175.889 0.260 1 1 56 . 19 1 1 A 13 13 HIS N N 13 119.256 117.624 1.632 1 1 57 . 19 1 1 A 13 13 HIS H H 13 8.026 7.429 0.597 1 1 58 . 19 1 1 A 13 13 HIS CA C 13 55.275 54.895 0.380 1 1 59 . 19 1 1 A 13 13 HIS HA H 13 4.602 5.111 -0.509 1 1 60 . 19 1 1 A 13 13 HIS CB C 13 30.264 32.043 -1.779 1 1 67 . 19 1 1 A 13 13 HIS C C 13 174.072 173.646 0.426 1 1 68 . 19 1 1 A 14 14 GLU N N 14 124.697 125.464 -0.767 1 1 69 . 19 1 1 A 14 14 GLU H H 14 8.462 9.286 -0.824 1 1 70 . 19 1 1 A 14 14 GLU CA C 14 55.194 54.821 0.373 1 1 71 . 19 1 1 A 14 14 GLU HA H 14 4.702 5.327 -0.625 1 1 72 . 19 1 1 A 14 14 GLU CB C 14 32.794 33.010 -0.216 1 1 78 . 19 1 1 A 14 14 GLU C C 14 175.024 175.030 -0.006 1 1 79 . 19 1 1 A 15 15 CYS N N 15 126.805 124.550 2.255 1 1 80 . 19 1 1 A 15 15 CYS H H 15 9.220 9.330 -0.110 1 1 81 . 19 1 1 A 15 15 CYS CA C 15 59.261 57.846 1.415 1 1 82 . 19 1 1 A 15 15 CYS HA H 15 4.564 4.847 -0.283 1 1 83 . 19 1 1 A 15 15 CYS CB C 15 29.450 29.410 0.040 1 1 86 . 19 1 1 A 15 15 CYS C C 15 177.227 176.426 0.801 1 1 87 . 19 1 1 A 16 16 ARG N N 16 114.338 128.139 -13.801 1 1 88 . 19 1 1 A 16 16 ARG H H 16 9.348 9.023 0.325 1 1 89 . 19 1 1 A 16 16 ARG CA C 16 58.121 58.385 -0.264 1 1 90 . 19 1 1 A 16 16 ARG HA H 16 4.164 4.242 -0.078 1 1 91 . 19 1 1 A 16 16 ARG CB C 16 29.789 30.162 -0.373 1 1 99 . 19 1 1 A 16 16 ARG C C 16 176.716 178.203 -1.487 1 1 100 . 19 1 1 A 17 17 GLU N N 17 119.673 118.054 1.619 1 1 101 . 19 1 1 A 17 17 GLU H H 17 8.516 7.966 0.550 1 1 102 . 19 1 1 A 17 17 GLU CA C 17 58.332 58.766 -0.434 1 1 103 . 19 1 1 A 17 17 GLU HA H 17 4.146 3.922 0.224 1 1 104 . 19 1 1 A 17 17 GLU CB C 17 29.305 29.400 -0.095 1 1 110 . 19 1 1 A 17 17 GLU C C 17 177.290 177.877 -0.587 1 1 111 . 19 1 1 A 18 18 CYS N N 18 114.190 114.842 -0.652 1 1 112 . 19 1 1 A 18 18 CYS H H 18 7.848 8.031 -0.183 1 1 113 . 19 1 1 A 18 18 CYS CA C 18 58.352 59.644 -1.292 1 1 114 . 19 1 1 A 18 18 CYS HA H 18 5.141 4.708 0.433 1 1 115 . 19 1 1 A 18 18 CYS CB C 18 32.546 30.056 2.490 1 1 118 . 19 1 1 A 18 18 CYS C C 18 176.195 175.580 0.615 1 1 119 . 19 1 1 A 19 19 GLY N N 19 113.563 109.866 3.697 1 1 120 . 19 1 1 A 19 19 GLY H H 19 8.233 7.769 0.464 1 1 121 . 19 1 1 A 19 19 GLY CA C 19 46.147 44.944 1.203 1 1 122 . 19 1 1 A 19 19 GLY HA2 H 19 3.839 4.095 -0.256 1 1 123 . 19 1 1 A 19 19 GLY HA3 H 19 4.195 4.106 0.089 1 1 124 . 19 1 1 A 19 19 GLY C C 19 173.979 174.535 -0.556 1 1 125 . 19 1 1 A 20 20 LYS N N 20 122.714 120.689 2.025 1 1 126 . 19 1 1 A 20 20 LYS H H 20 7.906 7.297 0.609 1 1 127 . 19 1 1 A 20 20 LYS CA C 20 57.773 56.145 1.628 1 1 128 . 19 1 1 A 20 20 LYS HA H 20 4.016 4.268 -0.252 1 1 129 . 19 1 1 A 20 20 LYS CB C 20 33.694 34.029 -0.335 1 1 141 . 19 1 1 A 20 20 LYS C C 20 174.181 175.488 -1.307 1 1 142 . 19 1 1 A 21 21 SER N N 21 114.889 112.467 2.422 1 1 143 . 19 1 1 A 21 21 SER H H 21 7.770 8.232 -0.462 1 1 144 . 19 1 1 A 21 21 SER CA C 21 56.643 56.535 0.108 1 1 145 . 19 1 1 A 21 21 SER HA H 21 5.178 5.479 -0.301 1 1 146 . 19 1 1 A 21 21 SER CB C 21 65.863 65.739 0.124 1 1 149 . 19 1 1 A 21 21 SER C C 21 173.075 172.871 0.204 1 1 150 . 19 1 1 A 22 22 PHE N N 22 118.070 119.808 -1.738 1 1 151 . 19 1 1 A 22 22 PHE H H 22 8.425 9.400 -0.975 1 1 152 . 19 1 1 A 22 22 PHE CA C 22 57.274 56.580 0.694 1 1 153 . 19 1 1 A 22 22 PHE HA H 22 4.717 5.043 -0.326 1 1 154 . 19 1 1 A 22 22 PHE CB C 22 43.580 41.905 1.675 1 1 167 . 19 1 1 A 22 22 PHE C C 22 175.562 176.086 -0.524 1 1 168 . 19 1 1 A 23 23 SER N N 23 117.719 118.797 -1.078 1 1 169 . 19 1 1 A 23 23 SER H H 23 8.890 8.874 0.016 1 1 170 . 19 1 1 A 23 23 SER CA C 23 61.814 61.023 0.791 1 1 171 . 19 1 1 A 23 23 SER HA H 23 4.259 4.323 -0.064 1 1 172 . 19 1 1 A 23 23 SER CB C 23 63.470 63.314 0.156 1 1 175 . 19 1 1 A 23 23 SER C C 23 173.419 174.685 -1.266 1 1 176 . 19 1 1 A 24 24 PHE N N 24 114.646 120.627 -5.981 1 1 177 . 19 1 1 A 24 24 PHE H H 24 7.747 8.398 -0.651 1 1 178 . 19 1 1 A 24 24 PHE CA C 24 55.800 56.874 -1.074 1 1 179 . 19 1 1 A 24 24 PHE HA H 24 4.891 5.214 -0.323 1 1 180 . 19 1 1 A 24 24 PHE CB C 24 42.497 42.170 0.327 1 1 193 . 19 1 1 A 24 24 PHE C C 24 176.175 175.571 0.604 1 1 194 . 19 1 1 A 25 25 ASN CA C 25 56.980 55.831 1.149 1 1 195 . 19 1 1 A 25 25 ASN HA H 25 3.746 3.405 0.341 1 1 196 . 19 1 1 A 25 25 ASN CB C 25 38.999 38.178 0.821 1 1 202 . 19 1 1 A 26 26 SER CA C 26 61.136 61.816 -0.680 1 1 203 . 19 1 1 A 26 26 SER HA H 26 3.884 4.199 -0.315 1 1 204 . 19 1 1 A 26 26 SER CB C 26 61.259 63.024 -1.765 1 1 207 . 19 1 1 A 26 26 SER C C 26 176.598 176.968 -0.370 1 1 208 . 19 1 1 A 27 27 GLN N N 27 119.387 121.747 -2.360 1 1 209 . 19 1 1 A 27 27 GLN H H 27 6.763 7.951 -1.188 1 1 210 . 19 1 1 A 27 27 GLN CA C 27 57.426 58.693 -1.267 1 1 211 . 19 1 1 A 27 27 GLN HA H 27 3.946 3.928 0.018 1 1 212 . 19 1 1 A 27 27 GLN CB C 27 28.943 28.571 0.372 1 1 221 . 19 1 1 A 27 27 GLN C C 27 178.638 177.797 0.841 1 1 222 . 19 1 1 A 28 28 LEU N N 28 122.438 120.740 1.698 1 1 223 . 19 1 1 A 28 28 LEU H H 28 6.991 7.324 -0.333 1 1 224 . 19 1 1 A 28 28 LEU CA C 28 57.746 56.966 0.780 1 1 225 . 19 1 1 A 28 28 LEU HA H 28 3.313 2.392 0.921 1 1 226 . 19 1 1 A 28 28 LEU CB C 28 40.505 41.764 -1.259 1 1 239 . 19 1 1 A 28 28 LEU C C 28 177.395 178.154 -0.759 1 1 240 . 19 1 1 A 29 29 ILE N N 29 118.379 118.910 -0.531 1 1 241 . 19 1 1 A 29 29 ILE H H 29 7.976 7.701 0.275 1 1 242 . 19 1 1 A 29 29 ILE CA C 29 64.459 64.933 -0.474 1 1 243 . 19 1 1 A 29 29 ILE HA H 29 3.726 3.571 0.155 1 1 244 . 19 1 1 A 29 29 ILE CB C 29 37.373 37.673 -0.300 1 1 257 . 19 1 1 A 29 29 ILE C C 29 178.970 178.083 0.887 1 1 258 . 19 1 1 A 30 30 VAL N N 30 118.496 120.060 -1.564 1 1 259 . 19 1 1 A 30 30 VAL H H 30 7.047 7.907 -0.860 1 1 260 . 19 1 1 A 30 30 VAL CA C 30 66.457 66.412 0.045 1 1 261 . 19 1 1 A 30 30 VAL HA H 30 3.491 3.538 -0.047 1 1 262 . 19 1 1 A 30 30 VAL CB C 30 32.038 31.510 0.528 1 1 272 . 19 1 1 A 30 30 VAL C C 30 178.763 178.102 0.661 1 1 273 . 19 1 1 A 31 31 HIS N N 31 119.928 120.044 -0.116 1 1 274 . 19 1 1 A 31 31 HIS H H 31 7.577 7.714 -0.137 1 1 275 . 19 1 1 A 31 31 HIS CA C 31 59.301 59.446 -0.145 1 1 276 . 19 1 1 A 31 31 HIS HA H 31 4.113 4.220 -0.107 1 1 277 . 19 1 1 A 31 31 HIS CB C 31 28.544 30.014 -1.470 1 1 284 . 19 1 1 A 31 31 HIS C C 31 176.226 177.369 -1.143 1 1 285 . 19 1 1 A 32 32 GLN N N 32 114.793 118.228 -3.435 1 1 286 . 19 1 1 A 32 32 GLN H H 32 8.456 8.451 0.005 1 1 287 . 19 1 1 A 32 32 GLN CA C 32 59.269 58.936 0.333 1 1 288 . 19 1 1 A 32 32 GLN HA H 32 3.645 3.870 -0.225 1 1 289 . 19 1 1 A 32 32 GLN CB C 32 28.282 28.308 -0.026 1 1 298 . 19 1 1 A 32 32 GLN C C 32 177.376 178.405 -1.029 1 1 299 . 19 1 1 A 33 33 ARG N N 33 117.873 118.145 -0.272 1 1 300 . 19 1 1 A 33 33 ARG H H 33 7.186 7.780 -0.594 1 1 301 . 19 1 1 A 33 33 ARG CA C 33 58.401 58.229 0.172 1 1 302 . 19 1 1 A 33 33 ARG HA H 33 4.125 4.051 0.074 1 1 303 . 19 1 1 A 33 33 ARG CB C 33 30.016 30.011 0.005 1 1 312 . 19 1 1 A 33 33 ARG C C 33 178.684 177.643 1.041 1 1 313 . 19 1 1 A 34 34 ILE N N 34 116.164 115.109 1.055 1 1 314 . 19 1 1 A 34 34 ILE H H 34 7.837 7.822 0.015 1 1 315 . 19 1 1 A 34 34 ILE CA C 34 63.143 63.894 -0.751 1 1 316 . 19 1 1 A 34 34 ILE HA H 34 3.937 3.821 0.116 1 1 317 . 19 1 1 A 34 34 ILE CB C 34 37.689 37.322 0.367 1 1 330 . 19 1 1 A 34 34 ILE C C 34 177.369 177.937 -0.568 1 1 331 . 19 1 1 A 35 35 HIS N N 35 117.537 119.701 -2.164 1 1 332 . 19 1 1 A 35 35 HIS H H 35 7.184 7.797 -0.613 1 1 333 . 19 1 1 A 35 35 HIS CA C 35 55.178 59.164 -3.986 1 1 334 . 19 1 1 A 35 35 HIS HA H 35 4.842 4.427 0.415 1 1 335 . 19 1 1 A 35 35 HIS CB C 35 28.550 31.222 -2.672 1 1 342 . 19 1 1 A 35 35 HIS C C 35 175.800 176.432 -0.632 1 1 343 . 19 1 1 A 36 36 THR N N 36 111.364 111.163 0.201 1 1 344 . 19 1 1 A 36 36 THR H H 36 7.747 7.527 0.220 1 1 345 . 19 1 1 A 36 36 THR CA C 36 62.359 60.953 1.406 1 1 346 . 19 1 1 A 36 36 THR HA H 36 4.337 4.327 0.010 1 1 347 . 19 1 1 A 36 36 THR CB C 36 69.835 67.666 2.169 1 1 353 . 19 1 1 A 36 36 THR C C 36 175.474 174.470 1.004 1 1 354 . 19 1 1 A 37 37 GLY N N 37 110.552 109.650 0.902 1 1 355 . 19 1 1 A 37 37 GLY H H 37 8.181 7.593 0.588 1 1 356 . 19 1 1 A 37 37 GLY CA C 37 45.346 45.213 0.133 1 1 357 . 19 1 1 A 37 37 GLY HA2 H 37 4.001 4.047 -0.046 1 1 358 . 19 1 1 A 37 37 GLY HA3 H 37 3.922 4.055 -0.133 1 1 359 . 19 1 1 A 37 37 GLY C C 37 174.041 173.643 0.398 1 1 360 . 19 1 1 A 38 38 GLU N N 38 120.135 119.697 0.438 1 1 361 . 19 1 1 A 38 38 GLU H H 38 8.080 8.011 0.069 1 1 362 . 19 1 1 A 38 38 GLU CA C 38 56.450 55.030 1.420 1 1 363 . 19 1 1 A 38 38 GLU HA H 38 4.205 4.778 -0.573 1 1 364 . 19 1 1 A 38 38 GLU CB C 38 30.467 32.563 -2.096 1 1 370 . 19 1 1 A 38 38 GLU C C 38 175.932 174.966 0.966 1 1 371 . 19 1 1 A 39 39 ASN N N 39 120.503 124.221 -3.718 1 1 372 . 19 1 1 A 39 39 ASN H H 39 8.511 8.684 -0.173 1 1 373 . 19 1 1 A 39 39 ASN CA C 39 51.313 50.748 0.565 1 1 374 . 19 1 1 A 39 39 ASN HA H 39 4.931 4.925 0.006 1 1 375 . 19 1 1 A 39 39 ASN CB C 39 38.883 40.000 -1.117 1 1 381 . 19 1 1 A 39 39 ASN C C 39 173.367 175.176 -1.809 1 1 382 . 19 1 1 A 40 40 PRO CA C 40 63.564 65.040 -1.476 1 1 383 . 19 1 1 A 40 40 PRO HA H 40 4.419 4.373 0.046 1 1 384 . 19 1 1 A 40 40 PRO CB C 40 32.140 32.078 0.062 1 1 391 . 19 1 1 A 40 40 PRO C C 40 177.061 177.121 -0.060 1 1 392 . 19 1 1 A 41 41 SER N N 41 115.581 112.114 3.467 1 1 393 . 19 1 1 A 41 41 SER H H 41 8.354 8.408 -0.054 1 1 394 . 19 1 1 A 41 41 SER CA C 41 58.463 59.631 -1.168 1 1 395 . 19 1 1 A 41 41 SER HA H 41 4.442 4.642 -0.200 1 1 396 . 19 1 1 A 41 41 SER CB C 41 63.856 65.236 -1.380 1 1 399 . 19 1 1 A 41 41 SER C C 41 174.582 175.628 -1.046 1 1 400 . 19 1 1 A 42 42 GLY N N 42 110.438 108.232 2.206 1 1 401 . 19 1 1 A 42 42 GLY H H 42 8.097 7.921 0.176 1 1 402 . 19 1 1 A 42 42 GLY CA C 42 44.649 46.153 -1.504 1 1 403 . 19 1 1 A 42 42 GLY HA2 H 42 4.121 4.088 0.033 1 1 404 . 19 1 1 A 42 42 GLY HA3 H 42 4.072 4.088 -0.016 1 1 405 . 19 1 1 A 42 42 GLY C C 42 171.675 173.956 -2.281 1 1 406 . 19 1 1 A 43 43 PRO CA C 43 63.436 62.580 0.856 1 1 407 . 19 1 1 A 43 43 PRO HA H 43 4.421 4.606 -0.185 1 1 408 . 19 1 1 A 43 43 PRO CB C 43 32.168 32.395 -0.227 1 1 417 . 19 1 1 A 43 43 PRO C C 43 177.358 176.258 1.100 1 1 418 . 19 1 1 A 44 44 SER N N 44 116.459 118.112 -1.653 1 1 419 . 19 1 1 A 44 44 SER H H 44 8.513 8.497 0.016 1 1 420 . 19 1 1 A 44 44 SER CA C 44 58.367 56.951 1.416 1 1 421 . 19 1 1 A 44 44 SER HA H 44 4.465 4.741 -0.276 1 1 422 . 19 1 1 A 44 44 SER CB C 44 63.692 65.060 -1.368 1 1 425 . 19 1 1 A 44 44 SER C C 44 174.649 174.701 -0.052 1 1 426 . 19 1 1 A 45 45 SER N N 45 117.890 117.984 -0.094 1 1 427 . 19 1 1 A 45 45 SER H H 45 8.318 8.867 -0.549 1 1 1 . 20 1 1 A 8 8 THR CA C 8 61.809 59.286 2.523 1 1 2 . 20 1 1 A 8 8 THR HA H 8 4.339 5.217 -0.878 1 1 3 . 20 1 1 A 8 8 THR CB C 8 69.833 72.162 -2.329 1 1 9 . 20 1 1 A 8 8 THR C C 8 175.270 174.056 1.214 1 1 10 . 20 1 1 A 9 9 GLY N N 9 111.063 108.916 2.147 1 1 11 . 20 1 1 A 9 9 GLY H H 9 8.444 8.518 -0.074 1 1 12 . 20 1 1 A 9 9 GLY CA C 9 45.198 45.403 -0.205 1 1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.925 4.011 -0.086 1 1 14 . 20 1 1 A 9 9 GLY HA3 H 9 3.888 4.018 -0.130 1 1 15 . 20 1 1 A 9 9 GLY C C 9 174.015 174.932 -0.917 1 1 16 . 20 1 1 A 10 10 GLU N N 10 120.294 117.264 3.030 1 1 17 . 20 1 1 A 10 10 GLU H H 10 8.193 8.355 -0.162 1 1 18 . 20 1 1 A 10 10 GLU CA C 10 56.635 55.515 1.120 1 1 19 . 20 1 1 A 10 10 GLU HA H 10 4.170 4.589 -0.419 1 1 20 . 20 1 1 A 10 10 GLU CB C 10 30.501 29.206 1.295 1 1 26 . 20 1 1 A 10 10 GLU C C 10 176.395 176.229 0.166 1 1 27 . 20 1 1 A 11 11 LYS N N 11 122.626 120.120 2.506 1 1 28 . 20 1 1 A 11 11 LYS H H 11 8.329 7.364 0.965 1 1 29 . 20 1 1 A 11 11 LYS CA C 11 53.922 53.085 0.837 1 1 30 . 20 1 1 A 11 11 LYS HA H 11 4.446 4.765 -0.319 1 1 31 . 20 1 1 A 11 11 LYS CB C 11 32.479 33.721 -1.242 1 1 43 . 20 1 1 A 11 11 LYS C C 11 174.018 176.364 -2.346 1 1 44 . 20 1 1 A 12 12 PRO CA C 12 63.321 63.722 -0.401 1 1 45 . 20 1 1 A 12 12 PRO HA H 12 4.283 4.327 -0.044 1 1 46 . 20 1 1 A 12 12 PRO CB C 12 32.313 31.047 1.266 1 1 55 . 20 1 1 A 12 12 PRO C C 12 176.149 175.918 0.231 1 1 56 . 20 1 1 A 13 13 HIS N N 13 119.256 117.011 2.245 1 1 57 . 20 1 1 A 13 13 HIS H H 13 8.026 7.472 0.554 1 1 58 . 20 1 1 A 13 13 HIS CA C 13 55.275 54.658 0.617 1 1 59 . 20 1 1 A 13 13 HIS HA H 13 4.602 5.119 -0.517 1 1 60 . 20 1 1 A 13 13 HIS CB C 13 30.264 32.022 -1.758 1 1 67 . 20 1 1 A 13 13 HIS C C 13 174.072 173.575 0.497 1 1 68 . 20 1 1 A 14 14 GLU N N 14 124.697 125.545 -0.848 1 1 69 . 20 1 1 A 14 14 GLU H H 14 8.462 9.264 -0.802 1 1 70 . 20 1 1 A 14 14 GLU CA C 14 55.194 55.129 0.065 1 1 71 . 20 1 1 A 14 14 GLU HA H 14 4.702 5.249 -0.547 1 1 72 . 20 1 1 A 14 14 GLU CB C 14 32.794 32.218 0.576 1 1 78 . 20 1 1 A 14 14 GLU C C 14 175.024 175.740 -0.716 1 1 79 . 20 1 1 A 15 15 CYS N N 15 126.805 124.997 1.808 1 1 80 . 20 1 1 A 15 15 CYS H H 15 9.220 9.433 -0.213 1 1 81 . 20 1 1 A 15 15 CYS CA C 15 59.261 58.369 0.892 1 1 82 . 20 1 1 A 15 15 CYS HA H 15 4.564 4.684 -0.120 1 1 83 . 20 1 1 A 15 15 CYS CB C 15 29.450 28.708 0.742 1 1 86 . 20 1 1 A 15 15 CYS C C 15 177.227 175.860 1.367 1 1 87 . 20 1 1 A 16 16 ARG N N 16 114.338 128.281 -13.943 1 1 88 . 20 1 1 A 16 16 ARG H H 16 9.348 8.806 0.542 1 1 89 . 20 1 1 A 16 16 ARG CA C 16 58.121 58.693 -0.572 1 1 90 . 20 1 1 A 16 16 ARG HA H 16 4.164 4.045 0.119 1 1 91 . 20 1 1 A 16 16 ARG CB C 16 29.789 30.221 -0.432 1 1 99 . 20 1 1 A 16 16 ARG C C 16 176.716 177.937 -1.221 1 1 100 . 20 1 1 A 17 17 GLU N N 17 119.673 117.930 1.743 1 1 101 . 20 1 1 A 17 17 GLU H H 17 8.516 7.994 0.522 1 1 102 . 20 1 1 A 17 17 GLU CA C 17 58.332 58.699 -0.367 1 1 103 . 20 1 1 A 17 17 GLU HA H 17 4.146 3.903 0.243 1 1 104 . 20 1 1 A 17 17 GLU CB C 17 29.305 29.158 0.147 1 1 110 . 20 1 1 A 17 17 GLU C C 17 177.290 177.930 -0.640 1 1 111 . 20 1 1 A 18 18 CYS N N 18 114.190 114.747 -0.557 1 1 112 . 20 1 1 A 18 18 CYS H H 18 7.848 7.946 -0.098 1 1 113 . 20 1 1 A 18 18 CYS CA C 18 58.352 59.492 -1.140 1 1 114 . 20 1 1 A 18 18 CYS HA H 18 5.141 4.695 0.446 1 1 115 . 20 1 1 A 18 18 CYS CB C 18 32.546 30.068 2.478 1 1 118 . 20 1 1 A 18 18 CYS C C 18 176.195 175.564 0.631 1 1 119 . 20 1 1 A 19 19 GLY N N 19 113.563 109.861 3.702 1 1 120 . 20 1 1 A 19 19 GLY H H 19 8.233 7.880 0.353 1 1 121 . 20 1 1 A 19 19 GLY CA C 19 46.147 45.137 1.010 1 1 122 . 20 1 1 A 19 19 GLY HA2 H 19 3.839 4.062 -0.223 1 1 123 . 20 1 1 A 19 19 GLY HA3 H 19 4.195 4.072 0.123 1 1 124 . 20 1 1 A 19 19 GLY C C 19 173.979 174.826 -0.847 1 1 125 . 20 1 1 A 20 20 LYS N N 20 122.714 121.524 1.190 1 1 126 . 20 1 1 A 20 20 LYS H H 20 7.906 7.536 0.370 1 1 127 . 20 1 1 A 20 20 LYS CA C 20 57.773 56.687 1.086 1 1 128 . 20 1 1 A 20 20 LYS HA H 20 4.016 4.211 -0.195 1 1 129 . 20 1 1 A 20 20 LYS CB C 20 33.694 33.877 -0.183 1 1 141 . 20 1 1 A 20 20 LYS C C 20 174.181 174.819 -0.638 1 1 142 . 20 1 1 A 21 21 SER N N 21 114.889 115.259 -0.370 1 1 143 . 20 1 1 A 21 21 SER H H 21 7.770 8.324 -0.554 1 1 144 . 20 1 1 A 21 21 SER CA C 21 56.643 57.360 -0.717 1 1 145 . 20 1 1 A 21 21 SER HA H 21 5.178 5.401 -0.223 1 1 146 . 20 1 1 A 21 21 SER CB C 21 65.863 66.443 -0.580 1 1 149 . 20 1 1 A 21 21 SER C C 21 173.075 172.936 0.139 1 1 150 . 20 1 1 A 22 22 PHE N N 22 118.070 122.794 -4.724 1 1 151 . 20 1 1 A 22 22 PHE H H 22 8.425 9.426 -1.001 1 1 152 . 20 1 1 A 22 22 PHE CA C 22 57.274 56.863 0.411 1 1 153 . 20 1 1 A 22 22 PHE HA H 22 4.717 4.970 -0.253 1 1 154 . 20 1 1 A 22 22 PHE CB C 22 43.580 42.680 0.900 1 1 167 . 20 1 1 A 22 22 PHE C C 22 175.562 176.077 -0.515 1 1 168 . 20 1 1 A 23 23 SER N N 23 117.719 117.023 0.696 1 1 169 . 20 1 1 A 23 23 SER H H 23 8.890 8.720 0.170 1 1 170 . 20 1 1 A 23 23 SER CA C 23 61.814 62.303 -0.489 1 1 171 . 20 1 1 A 23 23 SER HA H 23 4.259 4.514 -0.255 1 1 172 . 20 1 1 A 23 23 SER CB C 23 63.470 63.737 -0.267 1 1 175 . 20 1 1 A 23 23 SER C C 23 173.419 175.094 -1.675 1 1 176 . 20 1 1 A 24 24 PHE N N 24 114.646 117.714 -3.068 1 1 177 . 20 1 1 A 24 24 PHE H H 24 7.747 8.501 -0.754 1 1 178 . 20 1 1 A 24 24 PHE CA C 24 55.800 56.386 -0.586 1 1 179 . 20 1 1 A 24 24 PHE HA H 24 4.891 5.215 -0.324 1 1 180 . 20 1 1 A 24 24 PHE CB C 24 42.497 41.901 0.596 1 1 193 . 20 1 1 A 24 24 PHE C C 24 176.175 175.644 0.531 1 1 194 . 20 1 1 A 25 25 ASN CA C 25 56.980 56.235 0.745 1 1 195 . 20 1 1 A 25 25 ASN HA H 25 3.746 3.637 0.109 1 1 196 . 20 1 1 A 25 25 ASN CB C 25 38.999 38.291 0.708 1 1 202 . 20 1 1 A 26 26 SER CA C 26 61.136 61.830 -0.694 1 1 203 . 20 1 1 A 26 26 SER HA H 26 3.884 4.220 -0.336 1 1 204 . 20 1 1 A 26 26 SER CB C 26 61.259 62.960 -1.701 1 1 207 . 20 1 1 A 26 26 SER C C 26 176.598 177.004 -0.406 1 1 208 . 20 1 1 A 27 27 GLN N N 27 119.387 121.699 -2.312 1 1 209 . 20 1 1 A 27 27 GLN H H 27 6.763 8.030 -1.267 1 1 210 . 20 1 1 A 27 27 GLN CA C 27 57.426 58.685 -1.259 1 1 211 . 20 1 1 A 27 27 GLN HA H 27 3.946 3.930 0.016 1 1 212 . 20 1 1 A 27 27 GLN CB C 27 28.943 28.557 0.386 1 1 221 . 20 1 1 A 27 27 GLN C C 27 178.638 177.721 0.917 1 1 222 . 20 1 1 A 28 28 LEU N N 28 122.438 120.800 1.638 1 1 223 . 20 1 1 A 28 28 LEU H H 28 6.991 7.372 -0.381 1 1 224 . 20 1 1 A 28 28 LEU CA C 28 57.746 56.993 0.753 1 1 225 . 20 1 1 A 28 28 LEU HA H 28 3.313 2.546 0.767 1 1 226 . 20 1 1 A 28 28 LEU CB C 28 40.505 41.724 -1.219 1 1 239 . 20 1 1 A 28 28 LEU C C 28 177.395 178.401 -1.006 1 1 240 . 20 1 1 A 29 29 ILE N N 29 118.379 118.836 -0.457 1 1 241 . 20 1 1 A 29 29 ILE H H 29 7.976 7.774 0.202 1 1 242 . 20 1 1 A 29 29 ILE CA C 29 64.459 64.659 -0.200 1 1 243 . 20 1 1 A 29 29 ILE HA H 29 3.726 3.649 0.077 1 1 244 . 20 1 1 A 29 29 ILE CB C 29 37.373 37.033 0.340 1 1 257 . 20 1 1 A 29 29 ILE C C 29 178.970 178.467 0.503 1 1 258 . 20 1 1 A 30 30 VAL N N 30 118.496 121.300 -2.804 1 1 259 . 20 1 1 A 30 30 VAL H H 30 7.047 8.024 -0.977 1 1 260 . 20 1 1 A 30 30 VAL CA C 30 66.457 65.691 0.766 1 1 261 . 20 1 1 A 30 30 VAL HA H 30 3.491 3.598 -0.107 1 1 262 . 20 1 1 A 30 30 VAL CB C 30 32.038 30.982 1.056 1 1 272 . 20 1 1 A 30 30 VAL C C 30 178.763 178.147 0.616 1 1 273 . 20 1 1 A 31 31 HIS N N 31 119.928 120.200 -0.272 1 1 274 . 20 1 1 A 31 31 HIS H H 31 7.577 7.638 -0.061 1 1 275 . 20 1 1 A 31 31 HIS CA C 31 59.301 59.455 -0.154 1 1 276 . 20 1 1 A 31 31 HIS HA H 31 4.113 4.199 -0.086 1 1 277 . 20 1 1 A 31 31 HIS CB C 31 28.544 29.924 -1.380 1 1 284 . 20 1 1 A 31 31 HIS C C 31 176.226 177.358 -1.132 1 1 285 . 20 1 1 A 32 32 GLN N N 32 114.793 118.244 -3.451 1 1 286 . 20 1 1 A 32 32 GLN H H 32 8.456 8.446 0.010 1 1 287 . 20 1 1 A 32 32 GLN CA C 32 59.269 59.112 0.157 1 1 288 . 20 1 1 A 32 32 GLN HA H 32 3.645 3.898 -0.253 1 1 289 . 20 1 1 A 32 32 GLN CB C 32 28.282 28.245 0.037 1 1 298 . 20 1 1 A 32 32 GLN C C 32 177.376 178.350 -0.974 1 1 299 . 20 1 1 A 33 33 ARG N N 33 117.873 118.092 -0.219 1 1 300 . 20 1 1 A 33 33 ARG H H 33 7.186 7.774 -0.588 1 1 301 . 20 1 1 A 33 33 ARG CA C 33 58.401 58.204 0.197 1 1 302 . 20 1 1 A 33 33 ARG HA H 33 4.125 4.037 0.088 1 1 303 . 20 1 1 A 33 33 ARG CB C 33 30.016 29.895 0.121 1 1 312 . 20 1 1 A 33 33 ARG C C 33 178.684 177.555 1.129 1 1 313 . 20 1 1 A 34 34 ILE N N 34 116.164 115.120 1.044 1 1 314 . 20 1 1 A 34 34 ILE H H 34 7.837 7.788 0.049 1 1 315 . 20 1 1 A 34 34 ILE CA C 34 63.143 64.170 -1.027 1 1 316 . 20 1 1 A 34 34 ILE HA H 34 3.937 3.785 0.152 1 1 317 . 20 1 1 A 34 34 ILE CB C 34 37.689 37.398 0.291 1 1 330 . 20 1 1 A 34 34 ILE C C 34 177.369 178.094 -0.725 1 1 331 . 20 1 1 A 35 35 HIS N N 35 117.537 120.700 -3.163 1 1 332 . 20 1 1 A 35 35 HIS H H 35 7.184 7.673 -0.489 1 1 333 . 20 1 1 A 35 35 HIS CA C 35 55.178 59.702 -4.524 1 1 334 . 20 1 1 A 35 35 HIS HA H 35 4.842 4.277 0.565 1 1 335 . 20 1 1 A 35 35 HIS CB C 35 28.550 30.708 -2.158 1 1 342 . 20 1 1 A 35 35 HIS C C 35 175.800 176.488 -0.688 1 1 343 . 20 1 1 A 36 36 THR N N 36 111.364 109.983 1.381 1 1 344 . 20 1 1 A 36 36 THR H H 36 7.747 7.786 -0.039 1 1 345 . 20 1 1 A 36 36 THR CA C 36 62.359 61.318 1.041 1 1 346 . 20 1 1 A 36 36 THR HA H 36 4.337 4.374 -0.037 1 1 347 . 20 1 1 A 36 36 THR CB C 36 69.835 69.010 0.825 1 1 353 . 20 1 1 A 36 36 THR C C 36 175.474 175.061 0.413 1 1 354 . 20 1 1 A 37 37 GLY N N 37 110.552 108.960 1.592 1 1 355 . 20 1 1 A 37 37 GLY H H 37 8.181 7.478 0.703 1 1 356 . 20 1 1 A 37 37 GLY CA C 37 45.346 45.720 -0.374 1 1 357 . 20 1 1 A 37 37 GLY HA2 H 37 4.001 4.076 -0.075 1 1 358 . 20 1 1 A 37 37 GLY HA3 H 37 3.922 4.086 -0.164 1 1 359 . 20 1 1 A 37 37 GLY C C 37 174.041 173.317 0.724 1 1 360 . 20 1 1 A 38 38 GLU N N 38 120.135 119.845 0.290 1 1 361 . 20 1 1 A 38 38 GLU H H 38 8.080 7.780 0.300 1 1 362 . 20 1 1 A 38 38 GLU CA C 38 56.450 55.285 1.165 1 1 363 . 20 1 1 A 38 38 GLU HA H 38 4.205 4.892 -0.687 1 1 364 . 20 1 1 A 38 38 GLU CB C 38 30.467 33.406 -2.939 1 1 370 . 20 1 1 A 38 38 GLU C C 38 175.932 173.948 1.984 1 1 371 . 20 1 1 A 39 39 ASN N N 39 120.503 124.741 -4.238 1 1 372 . 20 1 1 A 39 39 ASN H H 39 8.511 8.875 -0.364 1 1 373 . 20 1 1 A 39 39 ASN CA C 39 51.313 49.664 1.649 1 1 374 . 20 1 1 A 39 39 ASN HA H 39 4.931 5.292 -0.361 1 1 375 . 20 1 1 A 39 39 ASN CB C 39 38.883 39.296 -0.413 1 1 381 . 20 1 1 A 39 39 ASN C C 39 173.367 174.557 -1.190 1 1 382 . 20 1 1 A 40 40 PRO CA C 40 63.564 63.527 0.037 1 1 383 . 20 1 1 A 40 40 PRO HA H 40 4.419 4.408 0.011 1 1 384 . 20 1 1 A 40 40 PRO CB C 40 32.140 32.142 -0.002 1 1 391 . 20 1 1 A 40 40 PRO C C 40 177.061 177.218 -0.157 1 1 392 . 20 1 1 A 41 41 SER N N 41 115.581 114.147 1.434 1 1 393 . 20 1 1 A 41 41 SER H H 41 8.354 7.889 0.465 1 1 394 . 20 1 1 A 41 41 SER CA C 41 58.463 59.377 -0.914 1 1 395 . 20 1 1 A 41 41 SER HA H 41 4.442 4.079 0.363 1 1 396 . 20 1 1 A 41 41 SER CB C 41 63.856 62.016 1.840 1 1 399 . 20 1 1 A 41 41 SER C C 41 174.582 173.798 0.784 1 1 400 . 20 1 1 A 42 42 GLY N N 42 110.438 106.575 3.863 1 1 401 . 20 1 1 A 42 42 GLY H H 42 8.097 8.440 -0.343 1 1 402 . 20 1 1 A 42 42 GLY CA C 42 44.649 46.139 -1.490 1 1 403 . 20 1 1 A 42 42 GLY HA2 H 42 4.121 3.976 0.145 1 1 404 . 20 1 1 A 42 42 GLY HA3 H 42 4.072 3.977 0.095 1 1 405 . 20 1 1 A 42 42 GLY C C 42 171.675 174.364 -2.689 1 1 406 . 20 1 1 A 43 43 PRO CA C 43 63.436 62.644 0.792 1 1 407 . 20 1 1 A 43 43 PRO HA H 43 4.421 4.643 -0.222 1 1 408 . 20 1 1 A 43 43 PRO CB C 43 32.168 31.952 0.216 1 1 417 . 20 1 1 A 43 43 PRO C C 43 177.358 177.818 -0.460 1 1 418 . 20 1 1 A 44 44 SER N N 44 116.459 120.609 -4.150 1 1 419 . 20 1 1 A 44 44 SER H H 44 8.513 8.919 -0.406 1 1 420 . 20 1 1 A 44 44 SER CA C 44 58.367 61.038 -2.671 1 1 421 . 20 1 1 A 44 44 SER HA H 44 4.465 4.267 0.198 1 1 422 . 20 1 1 A 44 44 SER CB C 44 63.692 63.082 0.610 1 1 425 . 20 1 1 A 44 44 SER C C 44 174.649 174.904 -0.255 1 1 426 . 20 1 1 A 45 45 SER N N 45 117.890 116.046 1.844 1 1 427 . 20 1 1 A 45 45 SER H H 45 8.318 7.962 0.356 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 36 1.254 1 2 1 1 1 "RMS(OBS, PRED)" CA 37 1.352 1 3 1 1 1 "RMS(OBS, PRED)" CB 33 1.143 1 4 1 1 1 "RMS(OBS, PRED)" H 32 0.571 1 5 1 1 1 "RMS(OBS, PRED)" HA 41 0.327 1 6 1 1 1 "RMS(OBS, PRED)" N 32 3.758 1 7 1 2 1 "RMS(OBS, PRED)" C 36 1.096 1 8 1 2 1 "RMS(OBS, PRED)" CA 37 1.254 1 9 1 2 1 "RMS(OBS, PRED)" CB 33 1.226 1 10 1 2 1 "RMS(OBS, PRED)" H 32 0.547 1 11 1 2 1 "RMS(OBS, PRED)" HA 41 0.335 1 12 1 2 1 "RMS(OBS, PRED)" N 32 3.596 1 13 1 3 1 "RMS(OBS, PRED)" C 36 1.164 1 14 1 3 1 "RMS(OBS, PRED)" CA 37 1.402 1 15 1 3 1 "RMS(OBS, PRED)" CB 33 1.098 1 16 1 3 1 "RMS(OBS, PRED)" H 32 0.525 1 17 1 3 1 "RMS(OBS, PRED)" HA 41 0.285 1 18 1 3 1 "RMS(OBS, PRED)" N 32 3.279 1 19 1 4 1 "RMS(OBS, PRED)" C 36 1.108 1 20 1 4 1 "RMS(OBS, PRED)" CA 37 1.359 1 21 1 4 1 "RMS(OBS, PRED)" CB 33 1.232 1 22 1 4 1 "RMS(OBS, PRED)" H 32 0.520 1 23 1 4 1 "RMS(OBS, PRED)" HA 41 0.319 1 24 1 4 1 "RMS(OBS, PRED)" N 32 3.343 1 25 1 5 1 "RMS(OBS, PRED)" C 36 1.158 1 26 1 5 1 "RMS(OBS, PRED)" CA 37 1.271 1 27 1 5 1 "RMS(OBS, PRED)" CB 33 1.494 1 28 1 5 1 "RMS(OBS, PRED)" H 32 0.483 1 29 1 5 1 "RMS(OBS, PRED)" HA 41 0.319 1 30 1 5 1 "RMS(OBS, PRED)" N 32 3.238 1 31 1 6 1 "RMS(OBS, PRED)" C 36 1.215 1 32 1 6 1 "RMS(OBS, PRED)" CA 37 1.116 1 33 1 6 1 "RMS(OBS, PRED)" CB 33 1.370 1 34 1 6 1 "RMS(OBS, PRED)" H 32 0.562 1 35 1 6 1 "RMS(OBS, PRED)" HA 41 0.327 1 36 1 6 1 "RMS(OBS, PRED)" N 32 3.573 1 37 1 7 1 "RMS(OBS, PRED)" C 36 0.997 1 38 1 7 1 "RMS(OBS, PRED)" CA 37 1.394 1 39 1 7 1 "RMS(OBS, PRED)" CB 33 1.046 1 40 1 7 1 "RMS(OBS, PRED)" H 32 0.482 1 41 1 7 1 "RMS(OBS, PRED)" HA 41 0.281 1 42 1 7 1 "RMS(OBS, PRED)" N 32 3.353 1 43 1 8 1 "RMS(OBS, PRED)" C 36 1.010 1 44 1 8 1 "RMS(OBS, PRED)" CA 37 1.311 1 45 1 8 1 "RMS(OBS, PRED)" CB 33 1.050 1 46 1 8 1 "RMS(OBS, PRED)" H 32 0.470 1 47 1 8 1 "RMS(OBS, PRED)" HA 41 0.325 1 48 1 8 1 "RMS(OBS, PRED)" N 32 3.445 1 49 1 9 1 "RMS(OBS, PRED)" C 36 1.071 1 50 1 9 1 "RMS(OBS, PRED)" CA 37 1.283 1 51 1 9 1 "RMS(OBS, PRED)" CB 33 1.148 1 52 1 9 1 "RMS(OBS, PRED)" H 32 0.508 1 53 1 9 1 "RMS(OBS, PRED)" HA 41 0.286 1 54 1 9 1 "RMS(OBS, PRED)" N 32 3.356 1 55 1 10 1 "RMS(OBS, PRED)" C 36 0.886 1 56 1 10 1 "RMS(OBS, PRED)" CA 37 1.225 1 57 1 10 1 "RMS(OBS, PRED)" CB 33 1.156 1 58 1 10 1 "RMS(OBS, PRED)" H 32 0.505 1 59 1 10 1 "RMS(OBS, PRED)" HA 41 0.281 1 60 1 10 1 "RMS(OBS, PRED)" N 32 3.380 1 61 1 11 1 "RMS(OBS, PRED)" C 36 1.188 1 62 1 11 1 "RMS(OBS, PRED)" CA 37 1.569 1 63 1 11 1 "RMS(OBS, PRED)" CB 33 1.079 1 64 1 11 1 "RMS(OBS, PRED)" H 32 0.490 1 65 1 11 1 "RMS(OBS, PRED)" HA 41 0.320 1 66 1 11 1 "RMS(OBS, PRED)" N 32 3.358 1 67 1 12 1 "RMS(OBS, PRED)" C 36 1.011 1 68 1 12 1 "RMS(OBS, PRED)" CA 37 1.209 1 69 1 12 1 "RMS(OBS, PRED)" CB 33 1.343 1 70 1 12 1 "RMS(OBS, PRED)" H 32 0.539 1 71 1 12 1 "RMS(OBS, PRED)" HA 41 0.295 1 72 1 12 1 "RMS(OBS, PRED)" N 32 3.558 1 73 1 13 1 "RMS(OBS, PRED)" C 36 0.959 1 74 1 13 1 "RMS(OBS, PRED)" CA 37 1.228 1 75 1 13 1 "RMS(OBS, PRED)" CB 33 1.099 1 76 1 13 1 "RMS(OBS, PRED)" H 32 0.496 1 77 1 13 1 "RMS(OBS, PRED)" HA 41 0.268 1 78 1 13 1 "RMS(OBS, PRED)" N 32 3.359 1 79 1 14 1 "RMS(OBS, PRED)" C 36 1.092 1 80 1 14 1 "RMS(OBS, PRED)" CA 37 1.328 1 81 1 14 1 "RMS(OBS, PRED)" CB 33 1.093 1 82 1 14 1 "RMS(OBS, PRED)" H 32 0.501 1 83 1 14 1 "RMS(OBS, PRED)" HA 41 0.308 1 84 1 14 1 "RMS(OBS, PRED)" N 32 3.461 1 85 1 15 1 "RMS(OBS, PRED)" C 36 1.222 1 86 1 15 1 "RMS(OBS, PRED)" CA 37 1.251 1 87 1 15 1 "RMS(OBS, PRED)" CB 33 1.139 1 88 1 15 1 "RMS(OBS, PRED)" H 32 0.556 1 89 1 15 1 "RMS(OBS, PRED)" HA 41 0.276 1 90 1 15 1 "RMS(OBS, PRED)" N 32 3.431 1 91 1 16 1 "RMS(OBS, PRED)" C 36 1.332 1 92 1 16 1 "RMS(OBS, PRED)" CA 37 1.495 1 93 1 16 1 "RMS(OBS, PRED)" CB 33 1.182 1 94 1 16 1 "RMS(OBS, PRED)" H 32 0.504 1 95 1 16 1 "RMS(OBS, PRED)" HA 41 0.323 1 96 1 16 1 "RMS(OBS, PRED)" N 32 3.257 1 97 1 17 1 "RMS(OBS, PRED)" C 36 0.955 1 98 1 17 1 "RMS(OBS, PRED)" CA 37 1.483 1 99 1 17 1 "RMS(OBS, PRED)" CB 33 1.261 1 100 1 17 1 "RMS(OBS, PRED)" H 32 0.536 1 101 1 17 1 "RMS(OBS, PRED)" HA 41 0.312 1 102 1 17 1 "RMS(OBS, PRED)" N 32 3.358 1 103 1 18 1 "RMS(OBS, PRED)" C 36 0.932 1 104 1 18 1 "RMS(OBS, PRED)" CA 37 1.097 1 105 1 18 1 "RMS(OBS, PRED)" CB 33 1.089 1 106 1 18 1 "RMS(OBS, PRED)" H 32 0.535 1 107 1 18 1 "RMS(OBS, PRED)" HA 41 0.254 1 108 1 18 1 "RMS(OBS, PRED)" N 32 3.357 1 109 1 19 1 "RMS(OBS, PRED)" C 36 1.028 1 110 1 19 1 "RMS(OBS, PRED)" CA 37 1.227 1 111 1 19 1 "RMS(OBS, PRED)" CB 33 1.323 1 112 1 19 1 "RMS(OBS, PRED)" H 32 0.527 1 113 1 19 1 "RMS(OBS, PRED)" HA 41 0.309 1 114 1 19 1 "RMS(OBS, PRED)" N 32 3.284 1 115 1 20 1 "RMS(OBS, PRED)" C 36 1.051 1 116 1 20 1 "RMS(OBS, PRED)" CA 37 1.252 1 117 1 20 1 "RMS(OBS, PRED)" CB 33 1.230 1 118 1 20 1 "RMS(OBS, PRED)" H 32 0.550 1 119 1 20 1 "RMS(OBS, PRED)" HA 41 0.330 1 120 1 20 1 "RMS(OBS, PRED)" N 32 3.472 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 8 8 THR CA C 8 61.809 61.848 -0.039 2 1 2 . 1 1 A 8 8 THR HA H 8 4.339 4.566 -0.227 2 1 3 . 1 1 A 8 8 THR CB C 8 69.833 70.539 -0.706 2 1 9 . 1 1 A 8 8 THR C C 8 175.270 174.516 0.754 2 1 10 . 1 1 A 9 9 GLY N N 9 111.063 111.392 -0.329 2 1 11 . 1 1 A 9 9 GLY H H 9 8.444 8.300 0.144 2 1 12 . 1 1 A 9 9 GLY CA C 9 45.198 45.568 -0.370 2 1 13 . 1 1 A 9 9 GLY HA2 H 9 3.925 4.008 -0.083 2 1 14 . 1 1 A 9 9 GLY HA3 H 9 3.888 4.012 -0.124 2 1 15 . 1 1 A 9 9 GLY C C 9 174.015 173.588 0.427 2 1 16 . 1 1 A 10 10 GLU N N 10 120.294 119.960 0.334 2 1 17 . 1 1 A 10 10 GLU H H 10 8.193 8.330 -0.137 2 1 18 . 1 1 A 10 10 GLU CA C 10 56.635 55.503 1.132 2 1 19 . 1 1 A 10 10 GLU HA H 10 4.170 4.693 -0.523 2 1 20 . 1 1 A 10 10 GLU CB C 10 30.501 31.373 -0.872 2 1 26 . 1 1 A 10 10 GLU C C 10 176.395 175.415 0.980 2 1 27 . 1 1 A 11 11 LYS N N 11 122.626 122.389 0.237 2 1 28 . 1 1 A 11 11 LYS H H 11 8.329 8.346 -0.017 2 1 29 . 1 1 A 11 11 LYS CA C 11 53.922 53.566 0.356 2 1 30 . 1 1 A 11 11 LYS HA H 11 4.446 4.658 -0.212 2 1 31 . 1 1 A 11 11 LYS CB C 11 32.479 33.030 -0.551 2 1 43 . 1 1 A 11 11 LYS C C 11 174.018 176.326 -2.308 2 1 44 . 1 1 A 12 12 PRO CA C 12 63.321 63.795 -0.474 2 1 45 . 1 1 A 12 12 PRO HA H 12 4.283 4.316 -0.032 2 1 46 . 1 1 A 12 12 PRO CB C 12 32.313 31.109 1.204 2 1 55 . 1 1 A 12 12 PRO C C 12 176.149 175.885 0.264 2 1 56 . 1 1 A 13 13 HIS N N 13 119.256 117.103 2.153 2 1 57 . 1 1 A 13 13 HIS H H 13 8.026 7.445 0.581 2 1 58 . 1 1 A 13 13 HIS CA C 13 55.275 54.861 0.414 2 1 59 . 1 1 A 13 13 HIS HA H 13 4.602 5.093 -0.491 2 1 60 . 1 1 A 13 13 HIS CB C 13 30.264 32.003 -1.739 2 1 67 . 1 1 A 13 13 HIS C C 13 174.072 173.592 0.480 2 1 68 . 1 1 A 14 14 GLU N N 14 124.697 125.503 -0.806 2 1 69 . 1 1 A 14 14 GLU H H 14 8.462 9.272 -0.810 2 1 70 . 1 1 A 14 14 GLU CA C 14 55.194 54.890 0.304 2 1 71 . 1 1 A 14 14 GLU HA H 14 4.702 5.276 -0.574 2 1 72 . 1 1 A 14 14 GLU CB C 14 32.794 32.814 -0.020 2 1 78 . 1 1 A 14 14 GLU C C 14 175.024 175.368 -0.344 2 1 79 . 1 1 A 15 15 CYS N N 15 126.805 124.902 1.903 2 1 80 . 1 1 A 15 15 CYS H H 15 9.220 9.306 -0.086 2 1 81 . 1 1 A 15 15 CYS CA C 15 59.261 58.051 1.210 2 1 82 . 1 1 A 15 15 CYS HA H 15 4.564 4.728 -0.164 2 1 83 . 1 1 A 15 15 CYS CB C 15 29.450 28.183 1.268 2 1 86 . 1 1 A 15 15 CYS C C 15 177.227 175.783 1.444 2 1 87 . 1 1 A 16 16 ARG N N 16 114.338 127.814 -13.476 2 1 88 . 1 1 A 16 16 ARG H H 16 9.348 8.749 0.599 2 1 89 . 1 1 A 16 16 ARG CA C 16 58.121 58.441 -0.320 2 1 90 . 1 1 A 16 16 ARG HA H 16 4.164 4.118 0.046 2 1 91 . 1 1 A 16 16 ARG CB C 16 29.789 30.103 -0.314 2 1 99 . 1 1 A 16 16 ARG C C 16 176.716 178.015 -1.299 2 1 100 . 1 1 A 17 17 GLU N N 17 119.673 118.155 1.518 2 1 101 . 1 1 A 17 17 GLU H H 17 8.516 7.952 0.564 2 1 102 . 1 1 A 17 17 GLU CA C 17 58.332 58.728 -0.396 2 1 103 . 1 1 A 17 17 GLU HA H 17 4.146 3.945 0.201 2 1 104 . 1 1 A 17 17 GLU CB C 17 29.305 29.412 -0.107 2 1 110 . 1 1 A 17 17 GLU C C 17 177.290 177.914 -0.624 2 1 111 . 1 1 A 18 18 CYS N N 18 114.190 114.829 -0.639 2 1 112 . 1 1 A 18 18 CYS H H 18 7.848 7.957 -0.109 2 1 113 . 1 1 A 18 18 CYS CA C 18 58.352 59.569 -1.217 2 1 114 . 1 1 A 18 18 CYS HA H 18 5.141 4.708 0.433 2 1 115 . 1 1 A 18 18 CYS CB C 18 32.546 30.068 2.478 2 1 118 . 1 1 A 18 18 CYS C C 18 176.195 175.526 0.669 2 1 119 . 1 1 A 19 19 GLY N N 19 113.563 109.831 3.732 2 1 120 . 1 1 A 19 19 GLY H H 19 8.233 7.954 0.279 2 1 121 . 1 1 A 19 19 GLY CA C 19 46.147 45.068 1.079 2 1 122 . 1 1 A 19 19 GLY HA2 H 19 3.839 4.071 -0.232 2 1 123 . 1 1 A 19 19 GLY HA3 H 19 4.195 4.081 0.114 2 1 124 . 1 1 A 19 19 GLY C C 19 173.979 174.665 -0.686 2 1 125 . 1 1 A 20 20 LYS N N 20 122.714 121.149 1.565 2 1 126 . 1 1 A 20 20 LYS H H 20 7.906 7.455 0.451 2 1 127 . 1 1 A 20 20 LYS CA C 20 57.773 56.437 1.336 2 1 128 . 1 1 A 20 20 LYS HA H 20 4.016 4.225 -0.209 2 1 129 . 1 1 A 20 20 LYS CB C 20 33.694 33.873 -0.179 2 1 141 . 1 1 A 20 20 LYS C C 20 174.181 175.201 -1.020 2 1 142 . 1 1 A 21 21 SER N N 21 114.889 113.625 1.264 2 1 143 . 1 1 A 21 21 SER H H 21 7.770 8.222 -0.452 2 1 144 . 1 1 A 21 21 SER CA C 21 56.643 56.948 -0.305 2 1 145 . 1 1 A 21 21 SER HA H 21 5.178 5.382 -0.204 2 1 146 . 1 1 A 21 21 SER CB C 21 65.863 66.123 -0.260 2 1 149 . 1 1 A 21 21 SER C C 21 173.075 172.805 0.270 2 1 150 . 1 1 A 22 22 PHE N N 22 118.070 121.554 -3.484 2 1 151 . 1 1 A 22 22 PHE H H 22 8.425 9.409 -0.984 2 1 152 . 1 1 A 22 22 PHE CA C 22 57.274 56.627 0.647 2 1 153 . 1 1 A 22 22 PHE HA H 22 4.717 5.023 -0.306 2 1 154 . 1 1 A 22 22 PHE CB C 22 43.580 42.198 1.382 2 1 167 . 1 1 A 22 22 PHE C C 22 175.562 176.088 -0.526 2 1 168 . 1 1 A 23 23 SER N N 23 117.719 118.650 -0.931 2 1 169 . 1 1 A 23 23 SER H H 23 8.890 8.915 -0.025 2 1 170 . 1 1 A 23 23 SER CA C 23 61.814 61.433 0.381 2 1 171 . 1 1 A 23 23 SER HA H 23 4.259 4.428 -0.169 2 1 172 . 1 1 A 23 23 SER CB C 23 63.470 63.457 0.013 2 1 175 . 1 1 A 23 23 SER C C 23 173.419 174.500 -1.081 2 1 176 . 1 1 A 24 24 PHE N N 24 114.646 118.859 -4.213 2 1 177 . 1 1 A 24 24 PHE H H 24 7.747 8.350 -0.603 2 1 178 . 1 1 A 24 24 PHE CA C 24 55.800 56.570 -0.770 2 1 179 . 1 1 A 24 24 PHE HA H 24 4.891 5.183 -0.292 2 1 180 . 1 1 A 24 24 PHE CB C 24 42.497 41.849 0.648 2 1 193 . 1 1 A 24 24 PHE C C 24 176.175 175.613 0.562 2 1 194 . 1 1 A 25 25 ASN CA C 25 56.980 55.951 1.029 2 1 195 . 1 1 A 25 25 ASN HA H 25 3.746 3.551 0.195 2 1 196 . 1 1 A 25 25 ASN CB C 25 38.999 38.270 0.729 2 1 202 . 1 1 A 26 26 SER CA C 26 61.136 61.847 -0.711 2 1 203 . 1 1 A 26 26 SER HA H 26 3.884 4.197 -0.313 2 1 204 . 1 1 A 26 26 SER CB C 26 61.259 62.948 -1.689 2 1 207 . 1 1 A 26 26 SER C C 26 176.598 176.949 -0.351 2 1 208 . 1 1 A 27 27 GLN N N 27 119.387 121.765 -2.378 2 1 209 . 1 1 A 27 27 GLN H H 27 6.763 7.922 -1.159 2 1 210 . 1 1 A 27 27 GLN CA C 27 57.426 58.694 -1.268 2 1 211 . 1 1 A 27 27 GLN HA H 27 3.946 3.927 0.019 2 1 212 . 1 1 A 27 27 GLN CB C 27 28.943 28.557 0.386 2 1 221 . 1 1 A 27 27 GLN C C 27 178.638 177.692 0.946 2 1 222 . 1 1 A 28 28 LEU N N 28 122.438 120.855 1.583 2 1 223 . 1 1 A 28 28 LEU H H 28 6.991 7.381 -0.390 2 1 224 . 1 1 A 28 28 LEU CA C 28 57.746 57.028 0.718 2 1 225 . 1 1 A 28 28 LEU HA H 28 3.313 2.550 0.763 2 1 226 . 1 1 A 28 28 LEU CB C 28 40.505 41.749 -1.244 2 1 239 . 1 1 A 28 28 LEU C C 28 177.395 178.373 -0.978 2 1 240 . 1 1 A 29 29 ILE N N 29 118.379 118.845 -0.466 2 1 241 . 1 1 A 29 29 ILE H H 29 7.976 7.748 0.228 2 1 242 . 1 1 A 29 29 ILE CA C 29 64.459 64.783 -0.324 2 1 243 . 1 1 A 29 29 ILE HA H 29 3.726 3.625 0.101 2 1 244 . 1 1 A 29 29 ILE CB C 29 37.373 37.519 -0.145 2 1 257 . 1 1 A 29 29 ILE C C 29 178.970 178.200 0.770 2 1 258 . 1 1 A 30 30 VAL N N 30 118.496 120.620 -2.124 2 1 259 . 1 1 A 30 30 VAL H H 30 7.047 7.950 -0.903 2 1 260 . 1 1 A 30 30 VAL CA C 30 66.457 66.159 0.298 2 1 261 . 1 1 A 30 30 VAL HA H 30 3.491 3.560 -0.069 2 1 262 . 1 1 A 30 30 VAL CB C 30 32.038 31.244 0.794 2 1 272 . 1 1 A 30 30 VAL C C 30 178.763 178.106 0.657 2 1 273 . 1 1 A 31 31 HIS N N 31 119.928 120.041 -0.113 2 1 274 . 1 1 A 31 31 HIS H H 31 7.577 7.703 -0.126 2 1 275 . 1 1 A 31 31 HIS CA C 31 59.301 59.395 -0.094 2 1 276 . 1 1 A 31 31 HIS HA H 31 4.113 4.209 -0.096 2 1 277 . 1 1 A 31 31 HIS CB C 31 28.544 29.937 -1.393 2 1 284 . 1 1 A 31 31 HIS C C 31 176.226 177.370 -1.144 2 1 285 . 1 1 A 32 32 GLN N N 32 114.793 118.206 -3.413 2 1 286 . 1 1 A 32 32 GLN H H 32 8.456 8.438 0.018 2 1 287 . 1 1 A 32 32 GLN CA C 32 59.269 58.981 0.288 2 1 288 . 1 1 A 32 32 GLN HA H 32 3.645 3.863 -0.218 2 1 289 . 1 1 A 32 32 GLN CB C 32 28.282 28.279 0.003 2 1 298 . 1 1 A 32 32 GLN C C 32 177.376 178.369 -0.993 2 1 299 . 1 1 A 33 33 ARG N N 33 117.873 118.154 -0.281 2 1 300 . 1 1 A 33 33 ARG H H 33 7.186 7.737 -0.551 2 1 301 . 1 1 A 33 33 ARG CA C 33 58.401 58.198 0.203 2 1 302 . 1 1 A 33 33 ARG HA H 33 4.125 4.048 0.077 2 1 303 . 1 1 A 33 33 ARG CB C 33 30.016 29.971 0.045 2 1 312 . 1 1 A 33 33 ARG C C 33 178.684 177.621 1.063 2 1 313 . 1 1 A 34 34 ILE N N 34 116.164 115.183 0.981 2 1 314 . 1 1 A 34 34 ILE H H 34 7.837 7.782 0.055 2 1 315 . 1 1 A 34 34 ILE CA C 34 63.143 64.121 -0.978 2 1 316 . 1 1 A 34 34 ILE HA H 34 3.937 3.778 0.159 2 1 317 . 1 1 A 34 34 ILE CB C 34 37.689 37.377 0.312 2 1 330 . 1 1 A 34 34 ILE C C 34 177.369 178.082 -0.713 2 1 331 . 1 1 A 35 35 HIS N N 35 117.537 120.577 -3.040 2 1 332 . 1 1 A 35 35 HIS H H 35 7.184 7.706 -0.522 2 1 333 . 1 1 A 35 35 HIS CA C 35 55.178 59.458 -4.280 2 1 334 . 1 1 A 35 35 HIS HA H 35 4.842 4.368 0.474 2 1 335 . 1 1 A 35 35 HIS CB C 35 28.550 30.314 -1.764 2 1 342 . 1 1 A 35 35 HIS C C 35 175.800 177.220 -1.420 2 1 343 . 1 1 A 36 36 THR N N 36 111.364 112.396 -1.032 2 1 344 . 1 1 A 36 36 THR H H 36 7.747 7.697 0.050 2 1 345 . 1 1 A 36 36 THR CA C 36 62.359 63.466 -1.107 2 1 346 . 1 1 A 36 36 THR HA H 36 4.337 4.128 0.209 2 1 347 . 1 1 A 36 36 THR CB C 36 69.835 68.555 1.280 2 1 353 . 1 1 A 36 36 THR C C 36 175.474 175.684 -0.210 2 1 354 . 1 1 A 37 37 GLY N N 37 110.552 109.574 0.978 2 1 355 . 1 1 A 37 37 GLY H H 37 8.181 8.003 0.178 2 1 356 . 1 1 A 37 37 GLY CA C 37 45.346 46.343 -0.997 2 1 357 . 1 1 A 37 37 GLY HA2 H 37 4.001 3.892 0.109 2 1 358 . 1 1 A 37 37 GLY HA3 H 37 3.922 3.902 0.020 2 1 359 . 1 1 A 37 37 GLY C C 37 174.041 174.179 -0.138 2 1 360 . 1 1 A 38 38 GLU N N 38 120.135 119.742 0.393 2 1 361 . 1 1 A 38 38 GLU H H 38 8.080 7.748 0.332 2 1 362 . 1 1 A 38 38 GLU CA C 38 56.450 55.666 0.784 2 1 363 . 1 1 A 38 38 GLU HA H 38 4.205 4.562 -0.357 2 1 364 . 1 1 A 38 38 GLU CB C 38 30.467 31.464 -0.997 2 1 370 . 1 1 A 38 38 GLU C C 38 175.932 175.496 0.436 2 1 371 . 1 1 A 39 39 ASN N N 39 120.503 123.380 -2.877 2 1 372 . 1 1 A 39 39 ASN H H 39 8.511 8.678 -0.167 2 1 373 . 1 1 A 39 39 ASN CA C 39 51.313 51.125 0.188 2 1 374 . 1 1 A 39 39 ASN HA H 39 4.931 5.046 -0.115 2 1 375 . 1 1 A 39 39 ASN CB C 39 38.883 38.904 -0.021 2 1 381 . 1 1 A 39 39 ASN C C 39 173.367 174.142 -0.775 2 1 382 . 1 1 A 40 40 PRO CA C 40 63.564 63.210 0.354 2 1 383 . 1 1 A 40 40 PRO HA H 40 4.419 4.535 -0.116 2 1 384 . 1 1 A 40 40 PRO CB C 40 32.140 32.509 -0.369 2 1 391 . 1 1 A 40 40 PRO C C 40 177.061 176.852 0.209 2 1 392 . 1 1 A 41 41 SER N N 41 115.581 115.106 0.475 2 1 393 . 1 1 A 41 41 SER H H 41 8.354 8.410 -0.056 2 1 394 . 1 1 A 41 41 SER CA C 41 58.463 59.539 -1.076 2 1 395 . 1 1 A 41 41 SER HA H 41 4.442 4.358 0.084 2 1 396 . 1 1 A 41 41 SER CB C 41 63.856 62.940 0.916 2 1 399 . 1 1 A 41 41 SER C C 41 174.582 175.002 -0.420 2 1 400 . 1 1 A 42 42 GLY N N 42 110.438 110.184 0.254 2 1 401 . 1 1 A 42 42 GLY H H 42 8.097 8.188 -0.091 2 1 402 . 1 1 A 42 42 GLY CA C 42 44.649 46.420 -1.772 2 1 403 . 1 1 A 42 42 GLY HA2 H 42 4.121 4.013 0.108 2 1 404 . 1 1 A 42 42 GLY HA3 H 42 4.072 4.015 0.057 2 1 405 . 1 1 A 42 42 GLY C C 42 171.675 174.166 -2.491 2 1 406 . 1 1 A 43 43 PRO CA C 43 63.436 63.471 -0.035 2 1 407 . 1 1 A 43 43 PRO HA H 43 4.421 4.517 -0.096 2 1 408 . 1 1 A 43 43 PRO CB C 43 32.168 32.002 0.166 2 1 417 . 1 1 A 43 43 PRO C C 43 177.358 176.758 0.600 2 1 418 . 1 1 A 44 44 SER N N 44 116.459 115.797 0.662 2 1 419 . 1 1 A 44 44 SER H H 44 8.513 8.238 0.275 2 1 420 . 1 1 A 44 44 SER CA C 44 58.367 58.971 -0.604 2 1 421 . 1 1 A 44 44 SER HA H 44 4.465 4.504 -0.039 2 1 422 . 1 1 A 44 44 SER CB C 44 63.692 63.992 -0.300 2 1 425 . 1 1 A 44 44 SER C C 44 174.649 174.622 0.027 2 1 426 . 1 1 A 45 45 SER N N 45 117.890 117.707 0.183 2 1 427 . 1 1 A 45 45 SER H H 45 8.318 8.425 -0.107 2 stop_ save_