data_10206_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10206 _Entry.PDB_ID 2EOH _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 9 9 GLY CA C 9 45.463 44.811 0.652 1 1 2 . 1 1 1 A 9 9 GLY HA2 H 9 4.008 4.033 -0.025 1 1 3 . 1 1 1 A 9 9 GLY HA3 H 9 3.922 4.034 -0.112 1 1 4 . 1 1 1 A 9 9 GLY C C 9 173.883 173.164 0.719 1 1 5 . 1 1 1 A 10 10 LYS N N 10 120.890 121.282 -0.392 1 1 6 . 1 1 1 A 10 10 LYS H H 10 8.081 7.959 0.122 1 1 7 . 1 1 1 A 10 10 LYS CA C 10 56.099 57.201 -1.102 1 1 8 . 1 1 1 A 10 10 LYS HA H 10 4.257 4.126 0.131 1 1 9 . 1 1 1 A 10 10 LYS CB C 10 33.091 33.035 0.056 1 1 21 . 1 1 1 A 10 10 LYS C C 10 176.341 176.217 0.124 1 1 22 . 1 1 1 A 11 11 LYS N N 11 124.299 127.227 -2.928 1 1 23 . 1 1 1 A 11 11 LYS H H 11 8.318 8.682 -0.364 1 1 24 . 1 1 1 A 11 11 LYS CA C 11 54.092 54.105 -0.013 1 1 25 . 1 1 1 A 11 11 LYS HA H 11 4.516 4.603 -0.087 1 1 26 . 1 1 1 A 11 11 LYS CB C 11 32.429 31.868 0.561 1 1 38 . 1 1 1 A 11 11 LYS C C 11 174.559 176.464 -1.905 1 1 39 . 1 1 1 A 12 12 PRO CA C 12 63.174 65.769 -2.595 1 1 40 . 1 1 1 A 12 12 PRO HA H 12 4.307 4.255 0.052 1 1 41 . 1 1 1 A 12 12 PRO CB C 12 32.305 31.341 0.964 1 1 50 . 1 1 1 A 12 12 PRO C C 12 176.285 175.853 0.432 1 1 51 . 1 1 1 A 13 13 TYR N N 13 118.529 117.546 0.983 1 1 52 . 1 1 1 A 13 13 TYR H H 13 8.139 7.998 0.141 1 1 53 . 1 1 1 A 13 13 TYR CA C 13 57.904 57.280 0.624 1 1 54 . 1 1 1 A 13 13 TYR HA H 13 4.593 4.984 -0.391 1 1 55 . 1 1 1 A 13 13 TYR CB C 13 39.336 41.518 -2.182 1 1 66 . 1 1 1 A 13 13 TYR C C 13 174.790 174.582 0.208 1 1 67 . 1 1 1 A 14 14 GLU N N 14 123.238 118.518 4.720 1 1 68 . 1 1 1 A 14 14 GLU H H 14 8.698 9.282 -0.584 1 1 69 . 1 1 1 A 14 14 GLU CA C 14 54.739 55.202 -0.463 1 1 70 . 1 1 1 A 14 14 GLU HA H 14 4.934 5.152 -0.218 1 1 71 . 1 1 1 A 14 14 GLU CB C 14 33.864 32.922 0.942 1 1 77 . 1 1 1 A 14 14 GLU C C 14 175.146 174.644 0.502 1 1 78 . 1 1 1 A 15 15 CYS N N 15 126.999 124.508 2.491 1 1 79 . 1 1 1 A 15 15 CYS H H 15 9.003 9.287 -0.284 1 1 80 . 1 1 1 A 15 15 CYS CA C 15 59.138 59.301 -0.163 1 1 81 . 1 1 1 A 15 15 CYS HA H 15 4.566 4.658 -0.092 1 1 82 . 1 1 1 A 15 15 CYS CB C 15 29.682 28.843 0.839 1 1 85 . 1 1 1 A 15 15 CYS C C 15 176.861 174.832 2.029 1 1 86 . 1 1 1 A 16 16 LYS CA C 16 58.521 56.646 1.875 1 1 87 . 1 1 1 A 16 16 LYS HA H 16 4.134 4.469 -0.335 1 1 88 . 1 1 1 A 16 16 LYS CB C 16 32.265 33.645 -1.380 1 1 100 . 1 1 1 A 16 16 LYS C C 16 176.983 177.740 -0.757 1 1 101 . 1 1 1 A 17 17 GLU N N 17 119.122 119.618 -0.496 1 1 102 . 1 1 1 A 17 17 GLU H H 17 8.546 7.840 0.706 1 1 103 . 1 1 1 A 17 17 GLU CA C 17 58.320 58.662 -0.342 1 1 104 . 1 1 1 A 17 17 GLU HA H 17 4.177 4.139 0.038 1 1 105 . 1 1 1 A 17 17 GLU CB C 17 29.439 29.804 -0.365 1 1 111 . 1 1 1 A 17 17 GLU C C 17 177.215 178.742 -1.527 1 1 112 . 1 1 1 A 18 18 CYS N N 18 115.644 117.027 -1.383 1 1 113 . 1 1 1 A 18 18 CYS H H 18 7.939 7.847 0.092 1 1 114 . 1 1 1 A 18 18 CYS CA C 18 58.632 59.042 -0.410 1 1 115 . 1 1 1 A 18 18 CYS HA H 18 5.062 4.500 0.562 1 1 116 . 1 1 1 A 18 18 CYS CB C 18 31.808 27.982 3.826 1 1 119 . 1 1 1 A 18 18 CYS C C 18 175.151 174.018 1.133 1 1 120 . 1 1 1 A 19 19 ARG N N 19 116.788 116.724 0.064 1 1 121 . 1 1 1 A 19 19 ARG H H 19 8.171 7.905 0.266 1 1 122 . 1 1 1 A 19 19 ARG CA C 19 57.860 56.948 0.912 1 1 123 . 1 1 1 A 19 19 ARG HA H 19 4.148 3.887 0.261 1 1 124 . 1 1 1 A 19 19 ARG CB C 19 26.487 27.446 -0.959 1 1 133 . 1 1 1 A 19 19 ARG C C 19 175.492 174.356 1.136 1 1 134 . 1 1 1 A 20 20 LYS N N 20 121.616 119.001 2.615 1 1 135 . 1 1 1 A 20 20 LYS H H 20 7.920 7.885 0.035 1 1 136 . 1 1 1 A 20 20 LYS CA C 20 58.019 55.259 2.760 1 1 137 . 1 1 1 A 20 20 LYS HA H 20 4.152 4.671 -0.519 1 1 138 . 1 1 1 A 20 20 LYS CB C 20 34.130 34.451 -0.321 1 1 150 . 1 1 1 A 20 20 LYS C C 20 175.066 176.421 -1.355 1 1 151 . 1 1 1 A 21 21 THR N N 21 110.534 116.141 -5.607 1 1 152 . 1 1 1 A 21 21 THR H H 21 7.580 8.278 -0.698 1 1 153 . 1 1 1 A 21 21 THR CA C 21 59.360 60.495 -1.135 1 1 154 . 1 1 1 A 21 21 THR HA H 21 5.208 5.377 -0.169 1 1 155 . 1 1 1 A 21 21 THR CB C 21 71.608 71.264 0.344 1 1 161 . 1 1 1 A 21 21 THR C C 21 173.627 173.514 0.113 1 1 162 . 1 1 1 A 22 22 PHE N N 22 116.966 118.157 -1.191 1 1 163 . 1 1 1 A 22 22 PHE H H 22 8.725 8.831 -0.106 1 1 164 . 1 1 1 A 22 22 PHE CA C 22 57.114 56.381 0.733 1 1 165 . 1 1 1 A 22 22 PHE HA H 22 4.819 4.861 -0.042 1 1 166 . 1 1 1 A 22 22 PHE CB C 22 44.195 42.534 1.661 1 1 179 . 1 1 1 A 22 22 PHE C C 22 175.176 175.818 -0.642 1 1 180 . 1 1 1 A 23 23 ILE N N 23 119.763 123.110 -3.347 1 1 181 . 1 1 1 A 23 23 ILE H H 23 9.199 8.515 0.684 1 1 182 . 1 1 1 A 23 23 ILE CA C 23 62.706 64.657 -1.951 1 1 183 . 1 1 1 A 23 23 ILE HA H 23 4.309 3.925 0.384 1 1 184 . 1 1 1 A 23 23 ILE CB C 23 38.932 37.976 0.956 1 1 197 . 1 1 1 A 23 23 ILE C C 23 176.059 176.621 -0.562 1 1 198 . 1 1 1 A 24 24 GLN N N 24 115.642 119.564 -3.922 1 1 199 . 1 1 1 A 24 24 GLN H H 24 7.544 8.108 -0.564 1 1 200 . 1 1 1 A 24 24 GLN CA C 24 53.942 54.341 -0.399 1 1 201 . 1 1 1 A 24 24 GLN HA H 24 4.801 4.933 -0.132 1 1 202 . 1 1 1 A 24 24 GLN CB C 24 30.876 31.623 -0.747 1 1 211 . 1 1 1 A 24 24 GLN C C 24 177.011 176.077 0.934 1 1 212 . 1 1 1 A 25 25 ILE N N 25 126.235 125.755 0.480 1 1 213 . 1 1 1 A 25 25 ILE H H 25 8.690 8.954 -0.264 1 1 214 . 1 1 1 A 25 25 ILE CA C 25 63.136 64.422 -1.286 1 1 215 . 1 1 1 A 25 25 ILE HA H 25 3.186 3.767 -0.581 1 1 216 . 1 1 1 A 25 25 ILE CB C 25 37.472 37.977 -0.505 1 1 229 . 1 1 1 A 25 25 ILE C C 25 176.863 177.811 -0.948 1 1 230 . 1 1 1 A 26 26 GLY N N 26 109.568 109.794 -0.226 1 1 231 . 1 1 1 A 26 26 GLY H H 26 8.595 8.098 0.497 1 1 232 . 1 1 1 A 26 26 GLY CA C 26 46.804 47.388 -0.584 1 1 233 . 1 1 1 A 26 26 GLY HA2 H 26 3.837 3.685 0.152 1 1 234 . 1 1 1 A 26 26 GLY HA3 H 26 3.780 3.719 0.061 1 1 235 . 1 1 1 A 26 26 GLY C C 26 176.792 175.870 0.922 1 1 236 . 1 1 1 A 27 27 HIS N N 27 119.048 121.860 -2.812 1 1 237 . 1 1 1 A 27 27 HIS H H 27 6.921 8.138 -1.217 1 1 238 . 1 1 1 A 27 27 HIS CA C 27 57.080 59.397 -2.317 1 1 239 . 1 1 1 A 27 27 HIS HA H 27 4.482 4.085 0.397 1 1 240 . 1 1 1 A 27 27 HIS CB C 27 31.775 29.905 1.870 1 1 247 . 1 1 1 A 27 27 HIS C C 27 178.571 176.857 1.714 1 1 248 . 1 1 1 A 28 28 LEU N N 28 122.327 120.141 2.186 1 1 249 . 1 1 1 A 28 28 LEU H H 28 6.954 7.837 -0.883 1 1 250 . 1 1 1 A 28 28 LEU CA C 28 57.735 56.682 1.053 1 1 251 . 1 1 1 A 28 28 LEU HA H 28 3.018 3.211 -0.193 1 1 252 . 1 1 1 A 28 28 LEU CB C 28 40.149 41.974 -1.825 1 1 265 . 1 1 1 A 28 28 LEU C C 28 177.665 178.341 -0.676 1 1 266 . 1 1 1 A 29 29 ASN N N 29 117.755 116.156 1.599 1 1 267 . 1 1 1 A 29 29 ASN H H 29 8.452 8.702 -0.250 1 1 268 . 1 1 1 A 29 29 ASN CA C 29 56.110 56.378 -0.268 1 1 269 . 1 1 1 A 29 29 ASN HA H 29 4.287 4.283 0.004 1 1 270 . 1 1 1 A 29 29 ASN CB C 29 37.160 38.143 -0.983 1 1 276 . 1 1 1 A 29 29 ASN C C 29 178.326 177.350 0.976 1 1 277 . 1 1 1 A 30 30 GLN N N 30 118.797 119.221 -0.424 1 1 278 . 1 1 1 A 30 30 GLN H H 30 7.759 7.298 0.461 1 1 279 . 1 1 1 A 30 30 GLN CA C 30 58.546 58.355 0.191 1 1 280 . 1 1 1 A 30 30 GLN HA H 30 4.030 4.045 -0.015 1 1 281 . 1 1 1 A 30 30 GLN CB C 30 28.693 28.998 -0.305 1 1 290 . 1 1 1 A 30 30 GLN C C 30 178.121 178.082 0.039 1 1 291 . 1 1 1 A 31 31 HIS N N 31 119.702 119.860 -0.158 1 1 292 . 1 1 1 A 31 31 HIS H H 31 7.664 7.756 -0.092 1 1 293 . 1 1 1 A 31 31 HIS CA C 31 58.885 60.066 -1.181 1 1 294 . 1 1 1 A 31 31 HIS HA H 31 4.215 4.222 -0.007 1 1 295 . 1 1 1 A 31 31 HIS CB C 31 28.494 29.919 -1.425 1 1 302 . 1 1 1 A 31 31 HIS C C 31 176.042 176.745 -0.703 1 1 303 . 1 1 1 A 32 32 LYS N N 32 115.824 117.843 -2.019 1 1 304 . 1 1 1 A 32 32 LYS H H 32 8.088 8.478 -0.390 1 1 305 . 1 1 1 A 32 32 LYS CA C 32 60.123 59.044 1.079 1 1 306 . 1 1 1 A 32 32 LYS HA H 32 3.698 4.129 -0.431 1 1 307 . 1 1 1 A 32 32 LYS CB C 32 32.401 32.190 0.211 1 1 319 . 1 1 1 A 32 32 LYS C C 32 177.823 178.381 -0.558 1 1 320 . 1 1 1 A 33 33 ARG N N 33 116.801 119.642 -2.841 1 1 321 . 1 1 1 A 33 33 ARG H H 33 7.063 7.385 -0.322 1 1 322 . 1 1 1 A 33 33 ARG CA C 33 58.202 59.407 -1.205 1 1 323 . 1 1 1 A 33 33 ARG HA H 33 4.133 4.003 0.130 1 1 324 . 1 1 1 A 33 33 ARG CB C 33 29.942 30.502 -0.560 1 1 332 . 1 1 1 A 33 33 ARG C C 33 178.364 178.839 -0.475 1 1 333 . 1 1 1 A 34 34 VAL N N 34 116.485 119.017 -2.532 1 1 334 . 1 1 1 A 34 34 VAL H H 34 7.933 8.003 -0.070 1 1 335 . 1 1 1 A 34 34 VAL CA C 34 63.948 65.632 -1.684 1 1 336 . 1 1 1 A 34 34 VAL HA H 34 3.873 3.638 0.235 1 1 337 . 1 1 1 A 34 34 VAL CB C 34 31.153 31.445 -0.292 1 1 347 . 1 1 1 A 34 34 VAL C C 34 177.213 177.020 0.193 1 1 348 . 1 1 1 A 35 35 HIS N N 35 117.143 117.488 -0.345 1 1 349 . 1 1 1 A 35 35 HIS H H 35 7.182 7.476 -0.294 1 1 350 . 1 1 1 A 35 35 HIS CA C 35 55.134 54.222 0.912 1 1 351 . 1 1 1 A 35 35 HIS HA H 35 4.836 4.683 0.153 1 1 352 . 1 1 1 A 35 35 HIS CB C 35 28.697 27.523 1.174 1 1 359 . 1 1 1 A 35 35 HIS C C 35 175.649 175.670 -0.021 1 1 360 . 1 1 1 A 36 36 THR N N 36 112.212 116.081 -3.869 1 1 361 . 1 1 1 A 36 36 THR H H 36 7.779 7.817 -0.038 1 1 362 . 1 1 1 A 36 36 THR CA C 36 62.601 66.346 -3.745 1 1 363 . 1 1 1 A 36 36 THR HA H 36 4.335 3.768 0.567 1 1 364 . 1 1 1 A 36 36 THR CB C 36 69.772 68.935 0.837 1 1 370 . 1 1 1 A 36 36 THR C C 36 175.505 175.234 0.271 1 1 371 . 1 1 1 A 37 37 GLY N N 37 110.726 106.364 4.362 1 1 372 . 1 1 1 A 37 37 GLY H H 37 8.300 7.871 0.429 1 1 373 . 1 1 1 A 37 37 GLY CA C 37 45.440 45.427 0.013 1 1 374 . 1 1 1 A 37 37 GLY HA2 H 37 4.009 4.074 -0.065 1 1 375 . 1 1 1 A 37 37 GLY HA3 H 37 3.935 4.082 -0.147 1 1 376 . 1 1 1 A 37 37 GLY C C 37 174.308 173.660 0.648 1 1 377 . 1 1 1 A 38 38 GLU N N 38 120.764 119.770 0.994 1 1 378 . 1 1 1 A 38 38 GLU H H 38 8.144 8.794 -0.650 1 1 379 . 1 1 1 A 38 38 GLU CA C 38 56.738 57.319 -0.581 1 1 380 . 1 1 1 A 38 38 GLU HA H 38 4.240 3.831 0.409 1 1 381 . 1 1 1 A 38 38 GLU CB C 38 30.407 27.774 2.633 1 1 387 . 1 1 1 A 38 38 GLU C C 38 176.615 174.979 1.636 1 1 388 . 1 1 1 A 39 39 ARG N N 39 121.903 116.161 5.742 1 1 389 . 1 1 1 A 39 39 ARG H H 39 8.401 7.774 0.627 1 1 390 . 1 1 1 A 39 39 ARG CA C 39 56.022 54.980 1.042 1 1 391 . 1 1 1 A 39 39 ARG HA H 39 4.372 4.701 -0.329 1 1 392 . 1 1 1 A 39 39 ARG CB C 39 30.822 32.051 -1.229 1 1 401 . 1 1 1 A 39 39 ARG C C 39 176.458 175.642 0.816 1 1 402 . 1 1 1 A 42 42 GLY CA C 42 44.688 46.744 -2.056 1 1 403 . 1 1 1 A 42 42 GLY HA2 H 42 4.120 3.917 0.203 1 1 404 . 1 1 1 A 42 42 GLY HA3 H 42 4.120 3.917 0.203 1 1 405 . 1 1 1 A 43 43 PRO CA C 43 63.243 63.335 -0.092 1 1 406 . 1 1 1 A 43 43 PRO HA H 43 4.464 4.302 0.162 1 1 407 . 1 1 1 A 43 43 PRO CB C 43 32.210 32.348 -0.138 1 1 1 . 2 1 1 A 9 9 GLY CA C 9 45.463 44.679 0.784 1 1 2 . 2 1 1 A 9 9 GLY HA2 H 9 4.008 4.150 -0.142 1 1 3 . 2 1 1 A 9 9 GLY HA3 H 9 3.922 4.150 -0.228 1 1 4 . 2 1 1 A 9 9 GLY C C 9 173.883 172.286 1.597 1 1 5 . 2 1 1 A 10 10 LYS N N 10 120.890 119.919 0.971 1 1 6 . 2 1 1 A 10 10 LYS H H 10 8.081 8.354 -0.273 1 1 7 . 2 1 1 A 10 10 LYS CA C 10 56.099 55.305 0.794 1 1 8 . 2 1 1 A 10 10 LYS HA H 10 4.257 4.582 -0.325 1 1 9 . 2 1 1 A 10 10 LYS CB C 10 33.091 31.924 1.167 1 1 21 . 2 1 1 A 10 10 LYS C C 10 176.341 175.594 0.747 1 1 22 . 2 1 1 A 11 11 LYS N N 11 124.299 124.773 -0.474 1 1 23 . 2 1 1 A 11 11 LYS H H 11 8.318 8.520 -0.202 1 1 24 . 2 1 1 A 11 11 LYS CA C 11 54.092 54.419 -0.327 1 1 25 . 2 1 1 A 11 11 LYS HA H 11 4.516 4.453 0.063 1 1 26 . 2 1 1 A 11 11 LYS CB C 11 32.429 32.029 0.400 1 1 38 . 2 1 1 A 11 11 LYS C C 11 174.559 176.428 -1.869 1 1 39 . 2 1 1 A 12 12 PRO CA C 12 63.174 65.846 -2.672 1 1 40 . 2 1 1 A 12 12 PRO HA H 12 4.307 4.308 -0.001 1 1 41 . 2 1 1 A 12 12 PRO CB C 12 32.305 31.536 0.769 1 1 50 . 2 1 1 A 12 12 PRO C C 12 176.285 175.872 0.413 1 1 51 . 2 1 1 A 13 13 TYR N N 13 118.529 117.506 1.023 1 1 52 . 2 1 1 A 13 13 TYR H H 13 8.139 7.977 0.162 1 1 53 . 2 1 1 A 13 13 TYR CA C 13 57.904 56.808 1.096 1 1 54 . 2 1 1 A 13 13 TYR HA H 13 4.593 5.164 -0.571 1 1 55 . 2 1 1 A 13 13 TYR CB C 13 39.336 42.442 -3.106 1 1 66 . 2 1 1 A 13 13 TYR C C 13 174.790 174.819 -0.029 1 1 67 . 2 1 1 A 14 14 GLU N N 14 123.238 120.541 2.697 1 1 68 . 2 1 1 A 14 14 GLU H H 14 8.698 8.911 -0.213 1 1 69 . 2 1 1 A 14 14 GLU CA C 14 54.739 55.928 -1.189 1 1 70 . 2 1 1 A 14 14 GLU HA H 14 4.934 4.995 -0.061 1 1 71 . 2 1 1 A 14 14 GLU CB C 14 33.864 33.235 0.629 1 1 77 . 2 1 1 A 14 14 GLU C C 14 175.146 174.665 0.481 1 1 78 . 2 1 1 A 15 15 CYS N N 15 126.999 125.618 1.381 1 1 79 . 2 1 1 A 15 15 CYS H H 15 9.003 9.282 -0.279 1 1 80 . 2 1 1 A 15 15 CYS CA C 15 59.138 59.269 -0.131 1 1 81 . 2 1 1 A 15 15 CYS HA H 15 4.566 4.707 -0.141 1 1 82 . 2 1 1 A 15 15 CYS CB C 15 29.682 29.059 0.623 1 1 85 . 2 1 1 A 15 15 CYS C C 15 176.861 174.718 2.143 1 1 86 . 2 1 1 A 16 16 LYS CA C 16 58.521 57.305 1.216 1 1 87 . 2 1 1 A 16 16 LYS HA H 16 4.134 4.482 -0.348 1 1 88 . 2 1 1 A 16 16 LYS CB C 16 32.265 34.352 -2.087 1 1 100 . 2 1 1 A 16 16 LYS C C 16 176.983 178.064 -1.081 1 1 101 . 2 1 1 A 17 17 GLU N N 17 119.122 118.679 0.443 1 1 102 . 2 1 1 A 17 17 GLU H H 17 8.546 8.120 0.426 1 1 103 . 2 1 1 A 17 17 GLU CA C 17 58.320 58.394 -0.074 1 1 104 . 2 1 1 A 17 17 GLU HA H 17 4.177 4.180 -0.003 1 1 105 . 2 1 1 A 17 17 GLU CB C 17 29.439 30.026 -0.587 1 1 111 . 2 1 1 A 17 17 GLU C C 17 177.215 178.638 -1.423 1 1 112 . 2 1 1 A 18 18 CYS N N 18 115.644 117.540 -1.896 1 1 113 . 2 1 1 A 18 18 CYS H H 18 7.939 7.991 -0.052 1 1 114 . 2 1 1 A 18 18 CYS CA C 18 58.632 59.310 -0.678 1 1 115 . 2 1 1 A 18 18 CYS HA H 18 5.062 4.503 0.559 1 1 116 . 2 1 1 A 18 18 CYS CB C 18 31.808 28.299 3.509 1 1 119 . 2 1 1 A 18 18 CYS C C 18 175.151 174.414 0.737 1 1 120 . 2 1 1 A 19 19 ARG N N 19 116.788 116.932 -0.144 1 1 121 . 2 1 1 A 19 19 ARG H H 19 8.171 7.955 0.216 1 1 122 . 2 1 1 A 19 19 ARG CA C 19 57.860 57.031 0.829 1 1 123 . 2 1 1 A 19 19 ARG HA H 19 4.148 3.905 0.243 1 1 124 . 2 1 1 A 19 19 ARG CB C 19 26.487 27.344 -0.857 1 1 133 . 2 1 1 A 19 19 ARG C C 19 175.492 174.632 0.860 1 1 134 . 2 1 1 A 20 20 LYS N N 20 121.616 117.805 3.811 1 1 135 . 2 1 1 A 20 20 LYS H H 20 7.920 7.914 0.006 1 1 136 . 2 1 1 A 20 20 LYS CA C 20 58.019 54.498 3.521 1 1 137 . 2 1 1 A 20 20 LYS HA H 20 4.152 4.872 -0.720 1 1 138 . 2 1 1 A 20 20 LYS CB C 20 34.130 34.358 -0.228 1 1 150 . 2 1 1 A 20 20 LYS C C 20 175.066 176.436 -1.370 1 1 151 . 2 1 1 A 21 21 THR N N 21 110.534 112.623 -2.089 1 1 152 . 2 1 1 A 21 21 THR H H 21 7.580 8.418 -0.838 1 1 153 . 2 1 1 A 21 21 THR CA C 21 59.360 60.216 -0.856 1 1 154 . 2 1 1 A 21 21 THR HA H 21 5.208 5.546 -0.338 1 1 155 . 2 1 1 A 21 21 THR CB C 21 71.608 71.344 0.264 1 1 161 . 2 1 1 A 21 21 THR C C 21 173.627 173.684 -0.057 1 1 162 . 2 1 1 A 22 22 PHE N N 22 116.966 118.423 -1.457 1 1 163 . 2 1 1 A 22 22 PHE H H 22 8.725 8.963 -0.238 1 1 164 . 2 1 1 A 22 22 PHE CA C 22 57.114 56.509 0.605 1 1 165 . 2 1 1 A 22 22 PHE HA H 22 4.819 5.058 -0.239 1 1 166 . 2 1 1 A 22 22 PHE CB C 22 44.195 41.303 2.892 1 1 179 . 2 1 1 A 22 22 PHE C C 22 175.176 175.897 -0.721 1 1 180 . 2 1 1 A 23 23 ILE N N 23 119.763 124.860 -5.097 1 1 181 . 2 1 1 A 23 23 ILE H H 23 9.199 8.678 0.521 1 1 182 . 2 1 1 A 23 23 ILE CA C 23 62.706 65.021 -2.315 1 1 183 . 2 1 1 A 23 23 ILE HA H 23 4.309 3.934 0.375 1 1 184 . 2 1 1 A 23 23 ILE CB C 23 38.932 38.029 0.903 1 1 197 . 2 1 1 A 23 23 ILE C C 23 176.059 176.572 -0.513 1 1 198 . 2 1 1 A 24 24 GLN N N 24 115.642 119.733 -4.091 1 1 199 . 2 1 1 A 24 24 GLN H H 24 7.544 8.153 -0.609 1 1 200 . 2 1 1 A 24 24 GLN CA C 24 53.942 54.187 -0.245 1 1 201 . 2 1 1 A 24 24 GLN HA H 24 4.801 4.834 -0.033 1 1 202 . 2 1 1 A 24 24 GLN CB C 24 30.876 31.771 -0.895 1 1 211 . 2 1 1 A 24 24 GLN C C 24 177.011 175.951 1.060 1 1 212 . 2 1 1 A 25 25 ILE N N 25 126.235 125.677 0.558 1 1 213 . 2 1 1 A 25 25 ILE H H 25 8.690 8.894 -0.204 1 1 214 . 2 1 1 A 25 25 ILE CA C 25 63.136 64.280 -1.144 1 1 215 . 2 1 1 A 25 25 ILE HA H 25 3.186 3.489 -0.303 1 1 216 . 2 1 1 A 25 25 ILE CB C 25 37.472 37.429 0.043 1 1 229 . 2 1 1 A 25 25 ILE C C 25 176.863 177.921 -1.058 1 1 230 . 2 1 1 A 26 26 GLY N N 26 109.568 109.512 0.056 1 1 231 . 2 1 1 A 26 26 GLY H H 26 8.595 8.304 0.291 1 1 232 . 2 1 1 A 26 26 GLY CA C 26 46.804 47.330 -0.526 1 1 233 . 2 1 1 A 26 26 GLY HA2 H 26 3.837 3.691 0.146 1 1 234 . 2 1 1 A 26 26 GLY HA3 H 26 3.780 3.709 0.071 1 1 235 . 2 1 1 A 26 26 GLY C C 26 176.792 176.539 0.253 1 1 236 . 2 1 1 A 27 27 HIS N N 27 119.048 120.132 -1.084 1 1 237 . 2 1 1 A 27 27 HIS H H 27 6.921 7.883 -0.962 1 1 238 . 2 1 1 A 27 27 HIS CA C 27 57.080 58.632 -1.552 1 1 239 . 2 1 1 A 27 27 HIS HA H 27 4.482 4.589 -0.107 1 1 240 . 2 1 1 A 27 27 HIS CB C 27 31.775 29.977 1.798 1 1 247 . 2 1 1 A 27 27 HIS C C 27 178.571 177.779 0.792 1 1 248 . 2 1 1 A 28 28 LEU N N 28 122.327 120.761 1.566 1 1 249 . 2 1 1 A 28 28 LEU H H 28 6.954 7.939 -0.985 1 1 250 . 2 1 1 A 28 28 LEU CA C 28 57.735 57.495 0.240 1 1 251 . 2 1 1 A 28 28 LEU HA H 28 3.018 3.225 -0.207 1 1 252 . 2 1 1 A 28 28 LEU CB C 28 40.149 40.919 -0.770 1 1 265 . 2 1 1 A 28 28 LEU C C 28 177.665 178.369 -0.704 1 1 266 . 2 1 1 A 29 29 ASN N N 29 117.755 115.973 1.782 1 1 267 . 2 1 1 A 29 29 ASN H H 29 8.452 8.692 -0.240 1 1 268 . 2 1 1 A 29 29 ASN CA C 29 56.110 56.500 -0.390 1 1 269 . 2 1 1 A 29 29 ASN HA H 29 4.287 4.274 0.013 1 1 270 . 2 1 1 A 29 29 ASN CB C 29 37.160 37.718 -0.558 1 1 276 . 2 1 1 A 29 29 ASN C C 29 178.326 177.604 0.722 1 1 277 . 2 1 1 A 30 30 GLN N N 30 118.797 119.733 -0.936 1 1 278 . 2 1 1 A 30 30 GLN H H 30 7.759 7.574 0.185 1 1 279 . 2 1 1 A 30 30 GLN CA C 30 58.546 58.551 -0.005 1 1 280 . 2 1 1 A 30 30 GLN HA H 30 4.030 4.027 0.003 1 1 281 . 2 1 1 A 30 30 GLN CB C 30 28.693 28.484 0.209 1 1 290 . 2 1 1 A 30 30 GLN C C 30 178.121 177.858 0.263 1 1 291 . 2 1 1 A 31 31 HIS N N 31 119.702 120.150 -0.448 1 1 292 . 2 1 1 A 31 31 HIS H H 31 7.664 7.949 -0.285 1 1 293 . 2 1 1 A 31 31 HIS CA C 31 58.885 60.033 -1.148 1 1 294 . 2 1 1 A 31 31 HIS HA H 31 4.215 4.081 0.134 1 1 295 . 2 1 1 A 31 31 HIS CB C 31 28.494 29.504 -1.010 1 1 302 . 2 1 1 A 31 31 HIS C C 31 176.042 176.493 -0.451 1 1 303 . 2 1 1 A 32 32 LYS N N 32 115.824 116.694 -0.870 1 1 304 . 2 1 1 A 32 32 LYS H H 32 8.088 8.305 -0.217 1 1 305 . 2 1 1 A 32 32 LYS CA C 32 60.123 59.622 0.501 1 1 306 . 2 1 1 A 32 32 LYS HA H 32 3.698 3.875 -0.177 1 1 307 . 2 1 1 A 32 32 LYS CB C 32 32.401 32.368 0.033 1 1 319 . 2 1 1 A 32 32 LYS C C 32 177.823 179.704 -1.881 1 1 320 . 2 1 1 A 33 33 ARG N N 33 116.801 119.843 -3.042 1 1 321 . 2 1 1 A 33 33 ARG H H 33 7.063 8.106 -1.043 1 1 322 . 2 1 1 A 33 33 ARG CA C 33 58.202 59.508 -1.306 1 1 323 . 2 1 1 A 33 33 ARG HA H 33 4.133 3.992 0.141 1 1 324 . 2 1 1 A 33 33 ARG CB C 33 29.942 30.520 -0.578 1 1 332 . 2 1 1 A 33 33 ARG C C 33 178.364 178.408 -0.044 1 1 333 . 2 1 1 A 34 34 VAL N N 34 116.485 119.133 -2.648 1 1 334 . 2 1 1 A 34 34 VAL H H 34 7.933 8.075 -0.142 1 1 335 . 2 1 1 A 34 34 VAL CA C 34 63.948 65.678 -1.730 1 1 336 . 2 1 1 A 34 34 VAL HA H 34 3.873 3.626 0.247 1 1 337 . 2 1 1 A 34 34 VAL CB C 34 31.153 31.295 -0.142 1 1 347 . 2 1 1 A 34 34 VAL C C 34 177.213 177.082 0.131 1 1 348 . 2 1 1 A 35 35 HIS N N 35 117.143 117.146 -0.003 1 1 349 . 2 1 1 A 35 35 HIS H H 35 7.182 6.860 0.322 1 1 350 . 2 1 1 A 35 35 HIS CA C 35 55.134 54.580 0.554 1 1 351 . 2 1 1 A 35 35 HIS HA H 35 4.836 4.637 0.199 1 1 352 . 2 1 1 A 35 35 HIS CB C 35 28.697 27.895 0.802 1 1 359 . 2 1 1 A 35 35 HIS C C 35 175.649 174.539 1.110 1 1 360 . 2 1 1 A 36 36 THR N N 36 112.212 110.956 1.256 1 1 361 . 2 1 1 A 36 36 THR H H 36 7.779 8.190 -0.411 1 1 362 . 2 1 1 A 36 36 THR CA C 36 62.601 62.963 -0.362 1 1 363 . 2 1 1 A 36 36 THR HA H 36 4.335 3.953 0.382 1 1 364 . 2 1 1 A 36 36 THR CB C 36 69.772 66.737 3.035 1 1 370 . 2 1 1 A 36 36 THR C C 36 175.505 174.968 0.537 1 1 371 . 2 1 1 A 37 37 GLY N N 37 110.726 111.131 -0.405 1 1 372 . 2 1 1 A 37 37 GLY H H 37 8.300 7.806 0.494 1 1 373 . 2 1 1 A 37 37 GLY CA C 37 45.440 47.335 -1.895 1 1 374 . 2 1 1 A 37 37 GLY HA2 H 37 4.009 3.808 0.201 1 1 375 . 2 1 1 A 37 37 GLY HA3 H 37 3.935 3.824 0.111 1 1 376 . 2 1 1 A 37 37 GLY C C 37 174.308 174.567 -0.259 1 1 377 . 2 1 1 A 38 38 GLU N N 38 120.764 119.560 1.204 1 1 378 . 2 1 1 A 38 38 GLU H H 38 8.144 7.931 0.213 1 1 379 . 2 1 1 A 38 38 GLU CA C 38 56.738 54.943 1.795 1 1 380 . 2 1 1 A 38 38 GLU HA H 38 4.240 4.573 -0.333 1 1 381 . 2 1 1 A 38 38 GLU CB C 38 30.407 31.656 -1.249 1 1 387 . 2 1 1 A 38 38 GLU C C 38 176.615 176.105 0.510 1 1 388 . 2 1 1 A 39 39 ARG N N 39 121.903 125.286 -3.383 1 1 389 . 2 1 1 A 39 39 ARG H H 39 8.401 8.753 -0.352 1 1 390 . 2 1 1 A 39 39 ARG CA C 39 56.022 55.807 0.215 1 1 391 . 2 1 1 A 39 39 ARG HA H 39 4.372 4.256 0.116 1 1 392 . 2 1 1 A 39 39 ARG CB C 39 30.822 31.163 -0.341 1 1 401 . 2 1 1 A 39 39 ARG C C 39 176.458 176.480 -0.022 1 1 402 . 2 1 1 A 42 42 GLY CA C 42 44.688 44.906 -0.218 1 1 403 . 2 1 1 A 42 42 GLY HA2 H 42 4.120 4.019 0.101 1 1 404 . 2 1 1 A 42 42 GLY HA3 H 42 4.120 4.021 0.099 1 1 405 . 2 1 1 A 43 43 PRO CA C 43 63.243 62.741 0.502 1 1 406 . 2 1 1 A 43 43 PRO HA H 43 4.464 4.721 -0.257 1 1 407 . 2 1 1 A 43 43 PRO CB C 43 32.210 31.426 0.784 1 1 1 . 3 1 1 A 9 9 GLY CA C 9 45.463 46.163 -0.700 1 1 2 . 3 1 1 A 9 9 GLY HA2 H 9 4.008 4.234 -0.226 1 1 3 . 3 1 1 A 9 9 GLY HA3 H 9 3.922 4.235 -0.313 1 1 4 . 3 1 1 A 9 9 GLY C C 9 173.883 172.100 1.783 1 1 5 . 3 1 1 A 10 10 LYS N N 10 120.890 119.548 1.342 1 1 6 . 3 1 1 A 10 10 LYS H H 10 8.081 8.713 -0.632 1 1 7 . 3 1 1 A 10 10 LYS CA C 10 56.099 54.136 1.963 1 1 8 . 3 1 1 A 10 10 LYS HA H 10 4.257 5.222 -0.965 1 1 9 . 3 1 1 A 10 10 LYS CB C 10 33.091 36.781 -3.690 1 1 21 . 3 1 1 A 10 10 LYS C C 10 176.341 174.811 1.530 1 1 22 . 3 1 1 A 11 11 LYS N N 11 124.299 119.802 4.497 1 1 23 . 3 1 1 A 11 11 LYS H H 11 8.318 8.404 -0.086 1 1 24 . 3 1 1 A 11 11 LYS CA C 11 54.092 53.118 0.974 1 1 25 . 3 1 1 A 11 11 LYS HA H 11 4.516 4.740 -0.224 1 1 26 . 3 1 1 A 11 11 LYS CB C 11 32.429 34.293 -1.864 1 1 38 . 3 1 1 A 11 11 LYS C C 11 174.559 176.117 -1.558 1 1 39 . 3 1 1 A 12 12 PRO CA C 12 63.174 65.745 -2.571 1 1 40 . 3 1 1 A 12 12 PRO HA H 12 4.307 4.217 0.090 1 1 41 . 3 1 1 A 12 12 PRO CB C 12 32.305 31.359 0.946 1 1 50 . 3 1 1 A 12 12 PRO C C 12 176.285 175.536 0.749 1 1 51 . 3 1 1 A 13 13 TYR N N 13 118.529 116.907 1.622 1 1 52 . 3 1 1 A 13 13 TYR H H 13 8.139 7.856 0.283 1 1 53 . 3 1 1 A 13 13 TYR CA C 13 57.904 56.657 1.247 1 1 54 . 3 1 1 A 13 13 TYR HA H 13 4.593 5.316 -0.723 1 1 55 . 3 1 1 A 13 13 TYR CB C 13 39.336 42.107 -2.771 1 1 66 . 3 1 1 A 13 13 TYR C C 13 174.790 174.624 0.166 1 1 67 . 3 1 1 A 14 14 GLU N N 14 123.238 118.985 4.253 1 1 68 . 3 1 1 A 14 14 GLU H H 14 8.698 9.216 -0.518 1 1 69 . 3 1 1 A 14 14 GLU CA C 14 54.739 54.714 0.025 1 1 70 . 3 1 1 A 14 14 GLU HA H 14 4.934 5.093 -0.159 1 1 71 . 3 1 1 A 14 14 GLU CB C 14 33.864 33.022 0.842 1 1 77 . 3 1 1 A 14 14 GLU C C 14 175.146 174.724 0.422 1 1 78 . 3 1 1 A 15 15 CYS N N 15 126.999 124.080 2.919 1 1 79 . 3 1 1 A 15 15 CYS H H 15 9.003 9.057 -0.054 1 1 80 . 3 1 1 A 15 15 CYS CA C 15 59.138 59.094 0.044 1 1 81 . 3 1 1 A 15 15 CYS HA H 15 4.566 4.732 -0.166 1 1 82 . 3 1 1 A 15 15 CYS CB C 15 29.682 29.490 0.192 1 1 85 . 3 1 1 A 15 15 CYS C C 15 176.861 174.621 2.240 1 1 86 . 3 1 1 A 16 16 LYS CA C 16 58.521 57.273 1.248 1 1 87 . 3 1 1 A 16 16 LYS HA H 16 4.134 4.467 -0.333 1 1 88 . 3 1 1 A 16 16 LYS CB C 16 32.265 34.259 -1.994 1 1 100 . 3 1 1 A 16 16 LYS C C 16 176.983 178.493 -1.510 1 1 101 . 3 1 1 A 17 17 GLU N N 17 119.122 118.243 0.879 1 1 102 . 3 1 1 A 17 17 GLU H H 17 8.546 8.053 0.493 1 1 103 . 3 1 1 A 17 17 GLU CA C 17 58.320 58.694 -0.374 1 1 104 . 3 1 1 A 17 17 GLU HA H 17 4.177 4.153 0.024 1 1 105 . 3 1 1 A 17 17 GLU CB C 17 29.439 29.975 -0.536 1 1 111 . 3 1 1 A 17 17 GLU C C 17 177.215 178.521 -1.306 1 1 112 . 3 1 1 A 18 18 CYS N N 18 115.644 115.805 -0.161 1 1 113 . 3 1 1 A 18 18 CYS H H 18 7.939 7.889 0.050 1 1 114 . 3 1 1 A 18 18 CYS CA C 18 58.632 59.096 -0.464 1 1 115 . 3 1 1 A 18 18 CYS HA H 18 5.062 4.545 0.517 1 1 116 . 3 1 1 A 18 18 CYS CB C 18 31.808 28.863 2.945 1 1 119 . 3 1 1 A 18 18 CYS C C 18 175.151 174.681 0.470 1 1 120 . 3 1 1 A 19 19 ARG N N 19 116.788 116.561 0.227 1 1 121 . 3 1 1 A 19 19 ARG H H 19 8.171 7.919 0.252 1 1 122 . 3 1 1 A 19 19 ARG CA C 19 57.860 57.255 0.605 1 1 123 . 3 1 1 A 19 19 ARG HA H 19 4.148 4.168 -0.020 1 1 124 . 3 1 1 A 19 19 ARG CB C 19 26.487 26.628 -0.141 1 1 133 . 3 1 1 A 19 19 ARG C C 19 175.492 174.283 1.209 1 1 134 . 3 1 1 A 20 20 LYS N N 20 121.616 119.531 2.085 1 1 135 . 3 1 1 A 20 20 LYS H H 20 7.920 7.410 0.510 1 1 136 . 3 1 1 A 20 20 LYS CA C 20 58.019 55.100 2.919 1 1 137 . 3 1 1 A 20 20 LYS HA H 20 4.152 4.499 -0.347 1 1 138 . 3 1 1 A 20 20 LYS CB C 20 34.130 33.641 0.489 1 1 150 . 3 1 1 A 20 20 LYS C C 20 175.066 175.590 -0.524 1 1 151 . 3 1 1 A 21 21 THR N N 21 110.534 117.055 -6.521 1 1 152 . 3 1 1 A 21 21 THR H H 21 7.580 8.391 -0.811 1 1 153 . 3 1 1 A 21 21 THR CA C 21 59.360 61.582 -2.222 1 1 154 . 3 1 1 A 21 21 THR HA H 21 5.208 4.685 0.523 1 1 155 . 3 1 1 A 21 21 THR CB C 21 71.608 70.184 1.424 1 1 161 . 3 1 1 A 21 21 THR C C 21 173.627 173.897 -0.270 1 1 162 . 3 1 1 A 22 22 PHE N N 22 116.966 118.779 -1.813 1 1 163 . 3 1 1 A 22 22 PHE H H 22 8.725 8.763 -0.038 1 1 164 . 3 1 1 A 22 22 PHE CA C 22 57.114 56.442 0.672 1 1 165 . 3 1 1 A 22 22 PHE HA H 22 4.819 4.995 -0.176 1 1 166 . 3 1 1 A 22 22 PHE CB C 22 44.195 42.327 1.868 1 1 179 . 3 1 1 A 22 22 PHE C C 22 175.176 175.944 -0.768 1 1 180 . 3 1 1 A 23 23 ILE N N 23 119.763 123.490 -3.727 1 1 181 . 3 1 1 A 23 23 ILE H H 23 9.199 8.433 0.766 1 1 182 . 3 1 1 A 23 23 ILE CA C 23 62.706 65.106 -2.400 1 1 183 . 3 1 1 A 23 23 ILE HA H 23 4.309 3.856 0.453 1 1 184 . 3 1 1 A 23 23 ILE CB C 23 38.932 37.920 1.012 1 1 197 . 3 1 1 A 23 23 ILE C C 23 176.059 176.508 -0.449 1 1 198 . 3 1 1 A 24 24 GLN N N 24 115.642 119.524 -3.882 1 1 199 . 3 1 1 A 24 24 GLN H H 24 7.544 8.099 -0.555 1 1 200 . 3 1 1 A 24 24 GLN CA C 24 53.942 54.267 -0.325 1 1 201 . 3 1 1 A 24 24 GLN HA H 24 4.801 4.895 -0.094 1 1 202 . 3 1 1 A 24 24 GLN CB C 24 30.876 30.837 0.039 1 1 211 . 3 1 1 A 24 24 GLN C C 24 177.011 176.429 0.582 1 1 212 . 3 1 1 A 25 25 ILE N N 25 126.235 125.374 0.861 1 1 213 . 3 1 1 A 25 25 ILE H H 25 8.690 8.917 -0.227 1 1 214 . 3 1 1 A 25 25 ILE CA C 25 63.136 64.369 -1.233 1 1 215 . 3 1 1 A 25 25 ILE HA H 25 3.186 3.591 -0.405 1 1 216 . 3 1 1 A 25 25 ILE CB C 25 37.472 37.452 0.020 1 1 229 . 3 1 1 A 25 25 ILE C C 25 176.863 178.093 -1.230 1 1 230 . 3 1 1 A 26 26 GLY N N 26 109.568 109.324 0.244 1 1 231 . 3 1 1 A 26 26 GLY H H 26 8.595 8.437 0.158 1 1 232 . 3 1 1 A 26 26 GLY CA C 26 46.804 47.334 -0.530 1 1 233 . 3 1 1 A 26 26 GLY HA2 H 26 3.837 3.725 0.112 1 1 234 . 3 1 1 A 26 26 GLY HA3 H 26 3.780 3.771 0.009 1 1 235 . 3 1 1 A 26 26 GLY C C 26 176.792 175.868 0.924 1 1 236 . 3 1 1 A 27 27 HIS N N 27 119.048 121.769 -2.721 1 1 237 . 3 1 1 A 27 27 HIS H H 27 6.921 8.116 -1.195 1 1 238 . 3 1 1 A 27 27 HIS CA C 27 57.080 58.963 -1.883 1 1 239 . 3 1 1 A 27 27 HIS HA H 27 4.482 4.082 0.400 1 1 240 . 3 1 1 A 27 27 HIS CB C 27 31.775 29.562 2.213 1 1 247 . 3 1 1 A 27 27 HIS C C 27 178.571 176.218 2.353 1 1 248 . 3 1 1 A 28 28 LEU N N 28 122.327 119.465 2.862 1 1 249 . 3 1 1 A 28 28 LEU H H 28 6.954 7.884 -0.930 1 1 250 . 3 1 1 A 28 28 LEU CA C 28 57.735 57.477 0.258 1 1 251 . 3 1 1 A 28 28 LEU HA H 28 3.018 2.647 0.371 1 1 252 . 3 1 1 A 28 28 LEU CB C 28 40.149 41.188 -1.039 1 1 265 . 3 1 1 A 28 28 LEU C C 28 177.665 178.648 -0.983 1 1 266 . 3 1 1 A 29 29 ASN N N 29 117.755 116.645 1.110 1 1 267 . 3 1 1 A 29 29 ASN H H 29 8.452 8.160 0.292 1 1 268 . 3 1 1 A 29 29 ASN CA C 29 56.110 56.443 -0.333 1 1 269 . 3 1 1 A 29 29 ASN HA H 29 4.287 4.356 -0.069 1 1 270 . 3 1 1 A 29 29 ASN CB C 29 37.160 37.774 -0.614 1 1 276 . 3 1 1 A 29 29 ASN C C 29 178.326 177.705 0.621 1 1 277 . 3 1 1 A 30 30 GLN N N 30 118.797 119.154 -0.357 1 1 278 . 3 1 1 A 30 30 GLN H H 30 7.759 8.096 -0.337 1 1 279 . 3 1 1 A 30 30 GLN CA C 30 58.546 57.982 0.564 1 1 280 . 3 1 1 A 30 30 GLN HA H 30 4.030 4.023 0.007 1 1 281 . 3 1 1 A 30 30 GLN CB C 30 28.693 28.386 0.307 1 1 290 . 3 1 1 A 30 30 GLN C C 30 178.121 177.957 0.164 1 1 291 . 3 1 1 A 31 31 HIS N N 31 119.702 119.526 0.176 1 1 292 . 3 1 1 A 31 31 HIS H H 31 7.664 7.505 0.159 1 1 293 . 3 1 1 A 31 31 HIS CA C 31 58.885 58.903 -0.018 1 1 294 . 3 1 1 A 31 31 HIS HA H 31 4.215 4.078 0.137 1 1 295 . 3 1 1 A 31 31 HIS CB C 31 28.494 29.727 -1.233 1 1 302 . 3 1 1 A 31 31 HIS C C 31 176.042 176.975 -0.933 1 1 303 . 3 1 1 A 32 32 LYS N N 32 115.824 118.298 -2.474 1 1 304 . 3 1 1 A 32 32 LYS H H 32 8.088 8.389 -0.301 1 1 305 . 3 1 1 A 32 32 LYS CA C 32 60.123 59.292 0.831 1 1 306 . 3 1 1 A 32 32 LYS HA H 32 3.698 4.039 -0.341 1 1 307 . 3 1 1 A 32 32 LYS CB C 32 32.401 32.130 0.271 1 1 319 . 3 1 1 A 32 32 LYS C C 32 177.823 179.457 -1.634 1 1 320 . 3 1 1 A 33 33 ARG N N 33 116.801 119.472 -2.671 1 1 321 . 3 1 1 A 33 33 ARG H H 33 7.063 7.855 -0.792 1 1 322 . 3 1 1 A 33 33 ARG CA C 33 58.202 59.354 -1.152 1 1 323 . 3 1 1 A 33 33 ARG HA H 33 4.133 4.006 0.127 1 1 324 . 3 1 1 A 33 33 ARG CB C 33 29.942 30.555 -0.613 1 1 332 . 3 1 1 A 33 33 ARG C C 33 178.364 178.892 -0.528 1 1 333 . 3 1 1 A 34 34 VAL N N 34 116.485 116.844 -0.359 1 1 334 . 3 1 1 A 34 34 VAL H H 34 7.933 7.813 0.120 1 1 335 . 3 1 1 A 34 34 VAL CA C 34 63.948 65.306 -1.358 1 1 336 . 3 1 1 A 34 34 VAL HA H 34 3.873 3.746 0.127 1 1 337 . 3 1 1 A 34 34 VAL CB C 34 31.153 31.218 -0.065 1 1 347 . 3 1 1 A 34 34 VAL C C 34 177.213 177.971 -0.758 1 1 348 . 3 1 1 A 35 35 HIS N N 35 117.143 119.582 -2.439 1 1 349 . 3 1 1 A 35 35 HIS H H 35 7.182 6.944 0.238 1 1 350 . 3 1 1 A 35 35 HIS CA C 35 55.134 58.716 -3.582 1 1 351 . 3 1 1 A 35 35 HIS HA H 35 4.836 4.301 0.535 1 1 352 . 3 1 1 A 35 35 HIS CB C 35 28.697 30.096 -1.399 1 1 359 . 3 1 1 A 35 35 HIS C C 35 175.649 175.627 0.022 1 1 360 . 3 1 1 A 36 36 THR N N 36 112.212 109.063 3.149 1 1 361 . 3 1 1 A 36 36 THR H H 36 7.779 7.358 0.421 1 1 362 . 3 1 1 A 36 36 THR CA C 36 62.601 61.646 0.955 1 1 363 . 3 1 1 A 36 36 THR HA H 36 4.335 4.269 0.066 1 1 364 . 3 1 1 A 36 36 THR CB C 36 69.772 69.599 0.173 1 1 370 . 3 1 1 A 36 36 THR C C 36 175.505 174.308 1.197 1 1 371 . 3 1 1 A 37 37 GLY N N 37 110.726 111.392 -0.666 1 1 372 . 3 1 1 A 37 37 GLY H H 37 8.300 8.526 -0.226 1 1 373 . 3 1 1 A 37 37 GLY CA C 37 45.440 45.916 -0.476 1 1 374 . 3 1 1 A 37 37 GLY HA2 H 37 4.009 3.996 0.013 1 1 375 . 3 1 1 A 37 37 GLY HA3 H 37 3.935 4.002 -0.067 1 1 376 . 3 1 1 A 37 37 GLY C C 37 174.308 174.095 0.213 1 1 377 . 3 1 1 A 38 38 GLU N N 38 120.764 123.892 -3.128 1 1 378 . 3 1 1 A 38 38 GLU H H 38 8.144 7.903 0.241 1 1 379 . 3 1 1 A 38 38 GLU CA C 38 56.738 56.844 -0.106 1 1 380 . 3 1 1 A 38 38 GLU HA H 38 4.240 4.277 -0.037 1 1 381 . 3 1 1 A 38 38 GLU CB C 38 30.407 30.465 -0.058 1 1 387 . 3 1 1 A 38 38 GLU C C 38 176.615 176.227 0.388 1 1 388 . 3 1 1 A 39 39 ARG N N 39 121.903 127.132 -5.229 1 1 389 . 3 1 1 A 39 39 ARG H H 39 8.401 8.714 -0.313 1 1 390 . 3 1 1 A 39 39 ARG CA C 39 56.022 54.921 1.101 1 1 391 . 3 1 1 A 39 39 ARG HA H 39 4.372 4.575 -0.203 1 1 392 . 3 1 1 A 39 39 ARG CB C 39 30.822 30.035 0.787 1 1 401 . 3 1 1 A 39 39 ARG C C 39 176.458 176.042 0.416 1 1 402 . 3 1 1 A 42 42 GLY CA C 42 44.688 44.788 -0.100 1 1 403 . 3 1 1 A 42 42 GLY HA2 H 42 4.120 4.009 0.111 1 1 404 . 3 1 1 A 42 42 GLY HA3 H 42 4.120 4.011 0.109 1 1 405 . 3 1 1 A 43 43 PRO CA C 43 63.243 62.577 0.666 1 1 406 . 3 1 1 A 43 43 PRO HA H 43 4.464 4.561 -0.097 1 1 407 . 3 1 1 A 43 43 PRO CB C 43 32.210 32.273 -0.063 1 1 1 . 4 1 1 A 9 9 GLY CA C 9 45.463 46.151 -0.688 1 1 2 . 4 1 1 A 9 9 GLY HA2 H 9 4.008 4.116 -0.108 1 1 3 . 4 1 1 A 9 9 GLY HA3 H 9 3.922 4.117 -0.195 1 1 4 . 4 1 1 A 9 9 GLY C C 9 173.883 175.066 -1.183 1 1 5 . 4 1 1 A 10 10 LYS N N 10 120.890 115.711 5.179 1 1 6 . 4 1 1 A 10 10 LYS H H 10 8.081 7.941 0.140 1 1 7 . 4 1 1 A 10 10 LYS CA C 10 56.099 57.401 -1.302 1 1 8 . 4 1 1 A 10 10 LYS HA H 10 4.257 3.768 0.489 1 1 9 . 4 1 1 A 10 10 LYS CB C 10 33.091 29.398 3.693 1 1 21 . 4 1 1 A 10 10 LYS C C 10 176.341 174.905 1.436 1 1 22 . 4 1 1 A 11 11 LYS N N 11 124.299 118.721 5.578 1 1 23 . 4 1 1 A 11 11 LYS H H 11 8.318 7.971 0.347 1 1 24 . 4 1 1 A 11 11 LYS CA C 11 54.092 53.362 0.730 1 1 25 . 4 1 1 A 11 11 LYS HA H 11 4.516 4.735 -0.219 1 1 26 . 4 1 1 A 11 11 LYS CB C 11 32.429 32.796 -0.367 1 1 38 . 4 1 1 A 11 11 LYS C C 11 174.559 176.213 -1.654 1 1 39 . 4 1 1 A 12 12 PRO CA C 12 63.174 65.879 -2.705 1 1 40 . 4 1 1 A 12 12 PRO HA H 12 4.307 4.332 -0.025 1 1 41 . 4 1 1 A 12 12 PRO CB C 12 32.305 31.482 0.823 1 1 50 . 4 1 1 A 12 12 PRO C C 12 176.285 175.703 0.582 1 1 51 . 4 1 1 A 13 13 TYR N N 13 118.529 117.063 1.466 1 1 52 . 4 1 1 A 13 13 TYR H H 13 8.139 7.970 0.169 1 1 53 . 4 1 1 A 13 13 TYR CA C 13 57.904 56.827 1.077 1 1 54 . 4 1 1 A 13 13 TYR HA H 13 4.593 5.287 -0.694 1 1 55 . 4 1 1 A 13 13 TYR CB C 13 39.336 42.230 -2.894 1 1 66 . 4 1 1 A 13 13 TYR C C 13 174.790 174.650 0.140 1 1 67 . 4 1 1 A 14 14 GLU N N 14 123.238 120.407 2.831 1 1 68 . 4 1 1 A 14 14 GLU H H 14 8.698 8.939 -0.241 1 1 69 . 4 1 1 A 14 14 GLU CA C 14 54.739 55.297 -0.558 1 1 70 . 4 1 1 A 14 14 GLU HA H 14 4.934 4.988 -0.054 1 1 71 . 4 1 1 A 14 14 GLU CB C 14 33.864 33.643 0.221 1 1 77 . 4 1 1 A 14 14 GLU C C 14 175.146 175.046 0.100 1 1 78 . 4 1 1 A 15 15 CYS N N 15 126.999 125.751 1.248 1 1 79 . 4 1 1 A 15 15 CYS H H 15 9.003 8.837 0.166 1 1 80 . 4 1 1 A 15 15 CYS CA C 15 59.138 59.018 0.120 1 1 81 . 4 1 1 A 15 15 CYS HA H 15 4.566 4.749 -0.183 1 1 82 . 4 1 1 A 15 15 CYS CB C 15 29.682 29.578 0.104 1 1 85 . 4 1 1 A 15 15 CYS C C 15 176.861 175.020 1.841 1 1 86 . 4 1 1 A 16 16 LYS CA C 16 58.521 56.562 1.959 1 1 87 . 4 1 1 A 16 16 LYS HA H 16 4.134 4.487 -0.353 1 1 88 . 4 1 1 A 16 16 LYS CB C 16 32.265 33.260 -0.995 1 1 100 . 4 1 1 A 16 16 LYS C C 16 176.983 176.773 0.210 1 1 101 . 4 1 1 A 17 17 GLU N N 17 119.122 117.464 1.658 1 1 102 . 4 1 1 A 17 17 GLU H H 17 8.546 7.542 1.004 1 1 103 . 4 1 1 A 17 17 GLU CA C 17 58.320 58.192 0.128 1 1 104 . 4 1 1 A 17 17 GLU HA H 17 4.177 4.331 -0.154 1 1 105 . 4 1 1 A 17 17 GLU CB C 17 29.439 30.248 -0.809 1 1 111 . 4 1 1 A 17 17 GLU C C 17 177.215 178.180 -0.965 1 1 112 . 4 1 1 A 18 18 CYS N N 18 115.644 116.218 -0.574 1 1 113 . 4 1 1 A 18 18 CYS H H 18 7.939 7.840 0.099 1 1 114 . 4 1 1 A 18 18 CYS CA C 18 58.632 58.816 -0.184 1 1 115 . 4 1 1 A 18 18 CYS HA H 18 5.062 4.511 0.551 1 1 116 . 4 1 1 A 18 18 CYS CB C 18 31.808 27.747 4.061 1 1 119 . 4 1 1 A 18 18 CYS C C 18 175.151 174.291 0.860 1 1 120 . 4 1 1 A 19 19 ARG N N 19 116.788 116.741 0.047 1 1 121 . 4 1 1 A 19 19 ARG H H 19 8.171 7.940 0.231 1 1 122 . 4 1 1 A 19 19 ARG CA C 19 57.860 57.108 0.752 1 1 123 . 4 1 1 A 19 19 ARG HA H 19 4.148 4.301 -0.153 1 1 124 . 4 1 1 A 19 19 ARG CB C 19 26.487 27.338 -0.851 1 1 133 . 4 1 1 A 19 19 ARG C C 19 175.492 174.520 0.972 1 1 134 . 4 1 1 A 20 20 LYS N N 20 121.616 119.768 1.848 1 1 135 . 4 1 1 A 20 20 LYS H H 20 7.920 7.499 0.421 1 1 136 . 4 1 1 A 20 20 LYS CA C 20 58.019 56.002 2.017 1 1 137 . 4 1 1 A 20 20 LYS HA H 20 4.152 4.466 -0.314 1 1 138 . 4 1 1 A 20 20 LYS CB C 20 34.130 33.748 0.382 1 1 150 . 4 1 1 A 20 20 LYS C C 20 175.066 176.043 -0.977 1 1 151 . 4 1 1 A 21 21 THR N N 21 110.534 115.824 -5.290 1 1 152 . 4 1 1 A 21 21 THR H H 21 7.580 8.236 -0.656 1 1 153 . 4 1 1 A 21 21 THR CA C 21 59.360 60.568 -1.208 1 1 154 . 4 1 1 A 21 21 THR HA H 21 5.208 5.447 -0.239 1 1 155 . 4 1 1 A 21 21 THR CB C 21 71.608 71.136 0.472 1 1 161 . 4 1 1 A 21 21 THR C C 21 173.627 173.625 0.002 1 1 162 . 4 1 1 A 22 22 PHE N N 22 116.966 118.393 -1.427 1 1 163 . 4 1 1 A 22 22 PHE H H 22 8.725 8.845 -0.120 1 1 164 . 4 1 1 A 22 22 PHE CA C 22 57.114 56.478 0.636 1 1 165 . 4 1 1 A 22 22 PHE HA H 22 4.819 4.999 -0.180 1 1 166 . 4 1 1 A 22 22 PHE CB C 22 44.195 40.866 3.329 1 1 179 . 4 1 1 A 22 22 PHE C C 22 175.176 175.823 -0.647 1 1 180 . 4 1 1 A 23 23 ILE N N 23 119.763 127.061 -7.298 1 1 181 . 4 1 1 A 23 23 ILE H H 23 9.199 8.672 0.527 1 1 182 . 4 1 1 A 23 23 ILE CA C 23 62.706 65.288 -2.582 1 1 183 . 4 1 1 A 23 23 ILE HA H 23 4.309 3.676 0.633 1 1 184 . 4 1 1 A 23 23 ILE CB C 23 38.932 38.101 0.831 1 1 197 . 4 1 1 A 23 23 ILE C C 23 176.059 176.545 -0.486 1 1 198 . 4 1 1 A 24 24 GLN N N 24 115.642 118.638 -2.996 1 1 199 . 4 1 1 A 24 24 GLN H H 24 7.544 8.064 -0.520 1 1 200 . 4 1 1 A 24 24 GLN CA C 24 53.942 54.018 -0.076 1 1 201 . 4 1 1 A 24 24 GLN HA H 24 4.801 4.789 0.012 1 1 202 . 4 1 1 A 24 24 GLN CB C 24 30.876 30.855 0.021 1 1 211 . 4 1 1 A 24 24 GLN C C 24 177.011 176.357 0.654 1 1 212 . 4 1 1 A 25 25 ILE N N 25 126.235 125.193 1.042 1 1 213 . 4 1 1 A 25 25 ILE H H 25 8.690 8.644 0.046 1 1 214 . 4 1 1 A 25 25 ILE CA C 25 63.136 63.869 -0.733 1 1 215 . 4 1 1 A 25 25 ILE HA H 25 3.186 3.433 -0.247 1 1 216 . 4 1 1 A 25 25 ILE CB C 25 37.472 38.434 -0.962 1 1 229 . 4 1 1 A 25 25 ILE C C 25 176.863 178.090 -1.227 1 1 230 . 4 1 1 A 26 26 GLY N N 26 109.568 109.424 0.144 1 1 231 . 4 1 1 A 26 26 GLY H H 26 8.595 8.457 0.138 1 1 232 . 4 1 1 A 26 26 GLY CA C 26 46.804 47.365 -0.561 1 1 233 . 4 1 1 A 26 26 GLY HA2 H 26 3.837 3.672 0.165 1 1 234 . 4 1 1 A 26 26 GLY HA3 H 26 3.780 3.734 0.046 1 1 235 . 4 1 1 A 26 26 GLY C C 26 176.792 176.318 0.474 1 1 236 . 4 1 1 A 27 27 HIS N N 27 119.048 120.069 -1.021 1 1 237 . 4 1 1 A 27 27 HIS H H 27 6.921 8.160 -1.239 1 1 238 . 4 1 1 A 27 27 HIS CA C 27 57.080 58.539 -1.459 1 1 239 . 4 1 1 A 27 27 HIS HA H 27 4.482 4.607 -0.125 1 1 240 . 4 1 1 A 27 27 HIS CB C 27 31.775 29.776 1.999 1 1 247 . 4 1 1 A 27 27 HIS C C 27 178.571 177.570 1.001 1 1 248 . 4 1 1 A 28 28 LEU N N 28 122.327 120.924 1.403 1 1 249 . 4 1 1 A 28 28 LEU H H 28 6.954 7.492 -0.538 1 1 250 . 4 1 1 A 28 28 LEU CA C 28 57.735 56.724 1.011 1 1 251 . 4 1 1 A 28 28 LEU HA H 28 3.018 2.999 0.019 1 1 252 . 4 1 1 A 28 28 LEU CB C 28 40.149 41.749 -1.600 1 1 265 . 4 1 1 A 28 28 LEU C C 28 177.665 178.396 -0.731 1 1 266 . 4 1 1 A 29 29 ASN N N 29 117.755 115.876 1.879 1 1 267 . 4 1 1 A 29 29 ASN H H 29 8.452 8.376 0.076 1 1 268 . 4 1 1 A 29 29 ASN CA C 29 56.110 56.260 -0.150 1 1 269 . 4 1 1 A 29 29 ASN HA H 29 4.287 4.273 0.014 1 1 270 . 4 1 1 A 29 29 ASN CB C 29 37.160 37.627 -0.467 1 1 276 . 4 1 1 A 29 29 ASN C C 29 178.326 177.564 0.762 1 1 277 . 4 1 1 A 30 30 GLN N N 30 118.797 119.680 -0.883 1 1 278 . 4 1 1 A 30 30 GLN H H 30 7.759 7.648 0.111 1 1 279 . 4 1 1 A 30 30 GLN CA C 30 58.546 58.407 0.139 1 1 280 . 4 1 1 A 30 30 GLN HA H 30 4.030 3.984 0.046 1 1 281 . 4 1 1 A 30 30 GLN CB C 30 28.693 28.434 0.259 1 1 290 . 4 1 1 A 30 30 GLN C C 30 178.121 177.827 0.294 1 1 291 . 4 1 1 A 31 31 HIS N N 31 119.702 120.103 -0.401 1 1 292 . 4 1 1 A 31 31 HIS H H 31 7.664 7.643 0.021 1 1 293 . 4 1 1 A 31 31 HIS CA C 31 58.885 60.084 -1.199 1 1 294 . 4 1 1 A 31 31 HIS HA H 31 4.215 4.120 0.095 1 1 295 . 4 1 1 A 31 31 HIS CB C 31 28.494 29.699 -1.205 1 1 302 . 4 1 1 A 31 31 HIS C C 31 176.042 176.666 -0.624 1 1 303 . 4 1 1 A 32 32 LYS N N 32 115.824 116.578 -0.754 1 1 304 . 4 1 1 A 32 32 LYS H H 32 8.088 8.289 -0.201 1 1 305 . 4 1 1 A 32 32 LYS CA C 32 60.123 59.544 0.579 1 1 306 . 4 1 1 A 32 32 LYS HA H 32 3.698 3.827 -0.129 1 1 307 . 4 1 1 A 32 32 LYS CB C 32 32.401 32.193 0.208 1 1 319 . 4 1 1 A 32 32 LYS C C 32 177.823 179.442 -1.619 1 1 320 . 4 1 1 A 33 33 ARG N N 33 116.801 119.716 -2.915 1 1 321 . 4 1 1 A 33 33 ARG H H 33 7.063 7.910 -0.847 1 1 322 . 4 1 1 A 33 33 ARG CA C 33 58.202 59.429 -1.227 1 1 323 . 4 1 1 A 33 33 ARG HA H 33 4.133 3.978 0.155 1 1 324 . 4 1 1 A 33 33 ARG CB C 33 29.942 30.578 -0.636 1 1 332 . 4 1 1 A 33 33 ARG C C 33 178.364 178.945 -0.581 1 1 333 . 4 1 1 A 34 34 VAL N N 34 116.485 119.973 -3.488 1 1 334 . 4 1 1 A 34 34 VAL H H 34 7.933 8.357 -0.424 1 1 335 . 4 1 1 A 34 34 VAL CA C 34 63.948 65.027 -1.079 1 1 336 . 4 1 1 A 34 34 VAL HA H 34 3.873 3.617 0.256 1 1 337 . 4 1 1 A 34 34 VAL CB C 34 31.153 31.027 0.126 1 1 347 . 4 1 1 A 34 34 VAL C C 34 177.213 177.544 -0.331 1 1 348 . 4 1 1 A 35 35 HIS N N 35 117.143 119.626 -2.483 1 1 349 . 4 1 1 A 35 35 HIS H H 35 7.182 7.548 -0.366 1 1 350 . 4 1 1 A 35 35 HIS CA C 35 55.134 59.991 -4.857 1 1 351 . 4 1 1 A 35 35 HIS HA H 35 4.836 4.312 0.524 1 1 352 . 4 1 1 A 35 35 HIS CB C 35 28.697 29.877 -1.180 1 1 359 . 4 1 1 A 35 35 HIS C C 35 175.649 177.585 -1.936 1 1 360 . 4 1 1 A 36 36 THR N N 36 112.212 114.624 -2.412 1 1 361 . 4 1 1 A 36 36 THR H H 36 7.779 7.926 -0.147 1 1 362 . 4 1 1 A 36 36 THR CA C 36 62.601 66.495 -3.894 1 1 363 . 4 1 1 A 36 36 THR HA H 36 4.335 3.876 0.459 1 1 364 . 4 1 1 A 36 36 THR CB C 36 69.772 68.007 1.765 1 1 370 . 4 1 1 A 36 36 THR C C 36 175.505 176.638 -1.133 1 1 371 . 4 1 1 A 37 37 GLY N N 37 110.726 108.698 2.028 1 1 372 . 4 1 1 A 37 37 GLY H H 37 8.300 8.770 -0.470 1 1 373 . 4 1 1 A 37 37 GLY CA C 37 45.440 47.328 -1.888 1 1 374 . 4 1 1 A 37 37 GLY HA2 H 37 4.009 3.730 0.279 1 1 375 . 4 1 1 A 37 37 GLY HA3 H 37 3.935 3.738 0.197 1 1 376 . 4 1 1 A 37 37 GLY C C 37 174.308 175.621 -1.313 1 1 377 . 4 1 1 A 38 38 GLU N N 38 120.764 121.228 -0.464 1 1 378 . 4 1 1 A 38 38 GLU H H 38 8.144 7.819 0.325 1 1 379 . 4 1 1 A 38 38 GLU CA C 38 56.738 55.696 1.042 1 1 380 . 4 1 1 A 38 38 GLU HA H 38 4.240 4.334 -0.094 1 1 381 . 4 1 1 A 38 38 GLU CB C 38 30.407 29.100 1.307 1 1 387 . 4 1 1 A 38 38 GLU C C 38 176.615 176.761 -0.146 1 1 388 . 4 1 1 A 39 39 ARG N N 39 121.903 129.094 -7.191 1 1 389 . 4 1 1 A 39 39 ARG H H 39 8.401 8.700 -0.299 1 1 390 . 4 1 1 A 39 39 ARG CA C 39 56.022 54.846 1.176 1 1 391 . 4 1 1 A 39 39 ARG HA H 39 4.372 4.543 -0.171 1 1 392 . 4 1 1 A 39 39 ARG CB C 39 30.822 29.251 1.571 1 1 401 . 4 1 1 A 39 39 ARG C C 39 176.458 174.868 1.590 1 1 402 . 4 1 1 A 42 42 GLY CA C 42 44.688 44.593 0.095 1 1 403 . 4 1 1 A 42 42 GLY HA2 H 42 4.120 4.085 0.035 1 1 404 . 4 1 1 A 42 42 GLY HA3 H 42 4.120 4.085 0.035 1 1 405 . 4 1 1 A 43 43 PRO CA C 43 63.243 64.556 -1.313 1 1 406 . 4 1 1 A 43 43 PRO HA H 43 4.464 4.404 0.060 1 1 407 . 4 1 1 A 43 43 PRO CB C 43 32.210 31.956 0.254 1 1 1 . 5 1 1 A 9 9 GLY CA C 9 45.463 45.573 -0.110 1 1 2 . 5 1 1 A 9 9 GLY HA2 H 9 4.008 4.073 -0.065 1 1 3 . 5 1 1 A 9 9 GLY HA3 H 9 3.922 4.074 -0.152 1 1 4 . 5 1 1 A 9 9 GLY C C 9 173.883 174.361 -0.478 1 1 5 . 5 1 1 A 10 10 LYS N N 10 120.890 122.056 -1.166 1 1 6 . 5 1 1 A 10 10 LYS H H 10 8.081 8.500 -0.419 1 1 7 . 5 1 1 A 10 10 LYS CA C 10 56.099 57.568 -1.469 1 1 8 . 5 1 1 A 10 10 LYS HA H 10 4.257 4.331 -0.074 1 1 9 . 5 1 1 A 10 10 LYS CB C 10 33.091 32.910 0.181 1 1 21 . 5 1 1 A 10 10 LYS C C 10 176.341 177.061 -0.720 1 1 22 . 5 1 1 A 11 11 LYS N N 11 124.299 120.931 3.368 1 1 23 . 5 1 1 A 11 11 LYS H H 11 8.318 7.315 1.003 1 1 24 . 5 1 1 A 11 11 LYS CA C 11 54.092 54.564 -0.472 1 1 25 . 5 1 1 A 11 11 LYS HA H 11 4.516 4.440 0.076 1 1 26 . 5 1 1 A 11 11 LYS CB C 11 32.429 31.883 0.546 1 1 38 . 5 1 1 A 11 11 LYS C C 11 174.559 176.657 -2.098 1 1 39 . 5 1 1 A 12 12 PRO CA C 12 63.174 65.970 -2.796 1 1 40 . 5 1 1 A 12 12 PRO HA H 12 4.307 4.437 -0.130 1 1 41 . 5 1 1 A 12 12 PRO CB C 12 32.305 31.582 0.723 1 1 50 . 5 1 1 A 12 12 PRO C C 12 176.285 176.012 0.273 1 1 51 . 5 1 1 A 13 13 TYR N N 13 118.529 117.494 1.035 1 1 52 . 5 1 1 A 13 13 TYR H H 13 8.139 7.918 0.221 1 1 53 . 5 1 1 A 13 13 TYR CA C 13 57.904 57.006 0.898 1 1 54 . 5 1 1 A 13 13 TYR HA H 13 4.593 5.018 -0.425 1 1 55 . 5 1 1 A 13 13 TYR CB C 13 39.336 41.871 -2.535 1 1 66 . 5 1 1 A 13 13 TYR C C 13 174.790 174.620 0.170 1 1 67 . 5 1 1 A 14 14 GLU N N 14 123.238 118.272 4.966 1 1 68 . 5 1 1 A 14 14 GLU H H 14 8.698 9.206 -0.508 1 1 69 . 5 1 1 A 14 14 GLU CA C 14 54.739 55.219 -0.480 1 1 70 . 5 1 1 A 14 14 GLU HA H 14 4.934 5.165 -0.231 1 1 71 . 5 1 1 A 14 14 GLU CB C 14 33.864 33.222 0.642 1 1 77 . 5 1 1 A 14 14 GLU C C 14 175.146 174.557 0.589 1 1 78 . 5 1 1 A 15 15 CYS N N 15 126.999 124.670 2.329 1 1 79 . 5 1 1 A 15 15 CYS H H 15 9.003 9.096 -0.093 1 1 80 . 5 1 1 A 15 15 CYS CA C 15 59.138 59.282 -0.144 1 1 81 . 5 1 1 A 15 15 CYS HA H 15 4.566 4.654 -0.088 1 1 82 . 5 1 1 A 15 15 CYS CB C 15 29.682 28.917 0.765 1 1 85 . 5 1 1 A 15 15 CYS C C 15 176.861 175.997 0.864 1 1 86 . 5 1 1 A 16 16 LYS CA C 16 58.521 56.978 1.543 1 1 87 . 5 1 1 A 16 16 LYS HA H 16 4.134 4.569 -0.435 1 1 88 . 5 1 1 A 16 16 LYS CB C 16 32.265 34.110 -1.845 1 1 100 . 5 1 1 A 16 16 LYS C C 16 176.983 177.986 -1.003 1 1 101 . 5 1 1 A 17 17 GLU N N 17 119.122 118.710 0.412 1 1 102 . 5 1 1 A 17 17 GLU H H 17 8.546 8.151 0.395 1 1 103 . 5 1 1 A 17 17 GLU CA C 17 58.320 58.557 -0.237 1 1 104 . 5 1 1 A 17 17 GLU HA H 17 4.177 4.208 -0.031 1 1 105 . 5 1 1 A 17 17 GLU CB C 17 29.439 30.353 -0.914 1 1 111 . 5 1 1 A 17 17 GLU C C 17 177.215 178.316 -1.101 1 1 112 . 5 1 1 A 18 18 CYS N N 18 115.644 115.855 -0.211 1 1 113 . 5 1 1 A 18 18 CYS H H 18 7.939 7.924 0.015 1 1 114 . 5 1 1 A 18 18 CYS CA C 18 58.632 59.008 -0.376 1 1 115 . 5 1 1 A 18 18 CYS HA H 18 5.062 4.494 0.568 1 1 116 . 5 1 1 A 18 18 CYS CB C 18 31.808 28.308 3.500 1 1 119 . 5 1 1 A 18 18 CYS C C 18 175.151 174.421 0.730 1 1 120 . 5 1 1 A 19 19 ARG N N 19 116.788 116.387 0.401 1 1 121 . 5 1 1 A 19 19 ARG H H 19 8.171 7.982 0.189 1 1 122 . 5 1 1 A 19 19 ARG CA C 19 57.860 57.221 0.639 1 1 123 . 5 1 1 A 19 19 ARG HA H 19 4.148 4.320 -0.172 1 1 124 . 5 1 1 A 19 19 ARG CB C 19 26.487 27.058 -0.571 1 1 133 . 5 1 1 A 19 19 ARG C C 19 175.492 174.574 0.918 1 1 134 . 5 1 1 A 20 20 LYS N N 20 121.616 120.067 1.549 1 1 135 . 5 1 1 A 20 20 LYS H H 20 7.920 7.503 0.417 1 1 136 . 5 1 1 A 20 20 LYS CA C 20 58.019 56.178 1.841 1 1 137 . 5 1 1 A 20 20 LYS HA H 20 4.152 4.546 -0.394 1 1 138 . 5 1 1 A 20 20 LYS CB C 20 34.130 33.824 0.306 1 1 150 . 5 1 1 A 20 20 LYS C C 20 175.066 176.145 -1.079 1 1 151 . 5 1 1 A 21 21 THR N N 21 110.534 115.802 -5.268 1 1 152 . 5 1 1 A 21 21 THR H H 21 7.580 8.347 -0.767 1 1 153 . 5 1 1 A 21 21 THR CA C 21 59.360 60.742 -1.382 1 1 154 . 5 1 1 A 21 21 THR HA H 21 5.208 5.167 0.041 1 1 155 . 5 1 1 A 21 21 THR CB C 21 71.608 70.889 0.719 1 1 161 . 5 1 1 A 21 21 THR C C 21 173.627 173.923 -0.296 1 1 162 . 5 1 1 A 22 22 PHE N N 22 116.966 118.424 -1.458 1 1 163 . 5 1 1 A 22 22 PHE H H 22 8.725 8.905 -0.180 1 1 164 . 5 1 1 A 22 22 PHE CA C 22 57.114 56.339 0.775 1 1 165 . 5 1 1 A 22 22 PHE HA H 22 4.819 4.965 -0.146 1 1 166 . 5 1 1 A 22 22 PHE CB C 22 44.195 41.489 2.706 1 1 179 . 5 1 1 A 22 22 PHE C C 22 175.176 175.776 -0.600 1 1 180 . 5 1 1 A 23 23 ILE N N 23 119.763 125.201 -5.438 1 1 181 . 5 1 1 A 23 23 ILE H H 23 9.199 8.558 0.641 1 1 182 . 5 1 1 A 23 23 ILE CA C 23 62.706 65.019 -2.313 1 1 183 . 5 1 1 A 23 23 ILE HA H 23 4.309 3.884 0.425 1 1 184 . 5 1 1 A 23 23 ILE CB C 23 38.932 37.993 0.939 1 1 197 . 5 1 1 A 23 23 ILE C C 23 176.059 176.402 -0.343 1 1 198 . 5 1 1 A 24 24 GLN N N 24 115.642 119.826 -4.184 1 1 199 . 5 1 1 A 24 24 GLN H H 24 7.544 7.922 -0.378 1 1 200 . 5 1 1 A 24 24 GLN CA C 24 53.942 54.396 -0.454 1 1 201 . 5 1 1 A 24 24 GLN HA H 24 4.801 4.822 -0.021 1 1 202 . 5 1 1 A 24 24 GLN CB C 24 30.876 31.342 -0.466 1 1 211 . 5 1 1 A 24 24 GLN C C 24 177.011 175.777 1.234 1 1 212 . 5 1 1 A 25 25 ILE N N 25 126.235 126.476 -0.241 1 1 213 . 5 1 1 A 25 25 ILE H H 25 8.690 8.720 -0.030 1 1 214 . 5 1 1 A 25 25 ILE CA C 25 63.136 64.317 -1.181 1 1 215 . 5 1 1 A 25 25 ILE HA H 25 3.186 3.370 -0.184 1 1 216 . 5 1 1 A 25 25 ILE CB C 25 37.472 37.291 0.181 1 1 229 . 5 1 1 A 25 25 ILE C C 25 176.863 177.781 -0.918 1 1 230 . 5 1 1 A 26 26 GLY N N 26 109.568 109.689 -0.121 1 1 231 . 5 1 1 A 26 26 GLY H H 26 8.595 8.131 0.464 1 1 232 . 5 1 1 A 26 26 GLY CA C 26 46.804 47.324 -0.520 1 1 233 . 5 1 1 A 26 26 GLY HA2 H 26 3.837 3.644 0.193 1 1 234 . 5 1 1 A 26 26 GLY HA3 H 26 3.780 3.667 0.113 1 1 235 . 5 1 1 A 26 26 GLY C C 26 176.792 176.439 0.353 1 1 236 . 5 1 1 A 27 27 HIS N N 27 119.048 120.113 -1.065 1 1 237 . 5 1 1 A 27 27 HIS H H 27 6.921 8.077 -1.156 1 1 238 . 5 1 1 A 27 27 HIS CA C 27 57.080 58.598 -1.518 1 1 239 . 5 1 1 A 27 27 HIS HA H 27 4.482 4.620 -0.138 1 1 240 . 5 1 1 A 27 27 HIS CB C 27 31.775 29.984 1.791 1 1 247 . 5 1 1 A 27 27 HIS C C 27 178.571 178.046 0.525 1 1 248 . 5 1 1 A 28 28 LEU N N 28 122.327 120.681 1.646 1 1 249 . 5 1 1 A 28 28 LEU H H 28 6.954 7.469 -0.515 1 1 250 . 5 1 1 A 28 28 LEU CA C 28 57.735 57.399 0.336 1 1 251 . 5 1 1 A 28 28 LEU HA H 28 3.018 3.040 -0.022 1 1 252 . 5 1 1 A 28 28 LEU CB C 28 40.149 41.004 -0.855 1 1 265 . 5 1 1 A 28 28 LEU C C 28 177.665 178.316 -0.651 1 1 266 . 5 1 1 A 29 29 ASN N N 29 117.755 115.895 1.860 1 1 267 . 5 1 1 A 29 29 ASN H H 29 8.452 8.742 -0.290 1 1 268 . 5 1 1 A 29 29 ASN CA C 29 56.110 56.380 -0.270 1 1 269 . 5 1 1 A 29 29 ASN HA H 29 4.287 4.293 -0.006 1 1 270 . 5 1 1 A 29 29 ASN CB C 29 37.160 37.608 -0.448 1 1 276 . 5 1 1 A 29 29 ASN C C 29 178.326 177.478 0.848 1 1 277 . 5 1 1 A 30 30 GLN N N 30 118.797 119.446 -0.649 1 1 278 . 5 1 1 A 30 30 GLN H H 30 7.759 7.796 -0.037 1 1 279 . 5 1 1 A 30 30 GLN CA C 30 58.546 58.614 -0.068 1 1 280 . 5 1 1 A 30 30 GLN HA H 30 4.030 4.002 0.028 1 1 281 . 5 1 1 A 30 30 GLN CB C 30 28.693 28.349 0.344 1 1 290 . 5 1 1 A 30 30 GLN C C 30 178.121 178.541 -0.420 1 1 291 . 5 1 1 A 31 31 HIS N N 31 119.702 119.723 -0.021 1 1 292 . 5 1 1 A 31 31 HIS H H 31 7.664 7.949 -0.285 1 1 293 . 5 1 1 A 31 31 HIS CA C 31 58.885 59.716 -0.831 1 1 294 . 5 1 1 A 31 31 HIS HA H 31 4.215 4.105 0.110 1 1 295 . 5 1 1 A 31 31 HIS CB C 31 28.494 29.573 -1.079 1 1 302 . 5 1 1 A 31 31 HIS C C 31 176.042 177.313 -1.271 1 1 303 . 5 1 1 A 32 32 LYS N N 32 115.824 118.670 -2.846 1 1 304 . 5 1 1 A 32 32 LYS H H 32 8.088 8.270 -0.182 1 1 305 . 5 1 1 A 32 32 LYS CA C 32 60.123 59.888 0.235 1 1 306 . 5 1 1 A 32 32 LYS HA H 32 3.698 3.920 -0.222 1 1 307 . 5 1 1 A 32 32 LYS CB C 32 32.401 32.225 0.176 1 1 319 . 5 1 1 A 32 32 LYS C C 32 177.823 179.104 -1.281 1 1 320 . 5 1 1 A 33 33 ARG N N 33 116.801 118.867 -2.066 1 1 321 . 5 1 1 A 33 33 ARG H H 33 7.063 8.003 -0.940 1 1 322 . 5 1 1 A 33 33 ARG CA C 33 58.202 58.993 -0.791 1 1 323 . 5 1 1 A 33 33 ARG HA H 33 4.133 4.079 0.054 1 1 324 . 5 1 1 A 33 33 ARG CB C 33 29.942 29.809 0.133 1 1 332 . 5 1 1 A 33 33 ARG C C 33 178.364 178.708 -0.344 1 1 333 . 5 1 1 A 34 34 VAL N N 34 116.485 120.698 -4.213 1 1 334 . 5 1 1 A 34 34 VAL H H 34 7.933 8.072 -0.139 1 1 335 . 5 1 1 A 34 34 VAL CA C 34 63.948 66.233 -2.285 1 1 336 . 5 1 1 A 34 34 VAL HA H 34 3.873 3.587 0.286 1 1 337 . 5 1 1 A 34 34 VAL CB C 34 31.153 31.433 -0.280 1 1 347 . 5 1 1 A 34 34 VAL C C 34 177.213 177.860 -0.647 1 1 348 . 5 1 1 A 35 35 HIS N N 35 117.143 118.251 -1.108 1 1 349 . 5 1 1 A 35 35 HIS H H 35 7.182 7.659 -0.477 1 1 350 . 5 1 1 A 35 35 HIS CA C 35 55.134 58.870 -3.736 1 1 351 . 5 1 1 A 35 35 HIS HA H 35 4.836 4.240 0.596 1 1 352 . 5 1 1 A 35 35 HIS CB C 35 28.697 29.861 -1.164 1 1 359 . 5 1 1 A 35 35 HIS C C 35 175.649 175.993 -0.344 1 1 360 . 5 1 1 A 36 36 THR N N 36 112.212 113.010 -0.798 1 1 361 . 5 1 1 A 36 36 THR H H 36 7.779 7.822 -0.043 1 1 362 . 5 1 1 A 36 36 THR CA C 36 62.601 63.895 -1.294 1 1 363 . 5 1 1 A 36 36 THR HA H 36 4.335 4.018 0.317 1 1 364 . 5 1 1 A 36 36 THR CB C 36 69.772 69.165 0.607 1 1 370 . 5 1 1 A 36 36 THR C C 36 175.505 174.243 1.262 1 1 371 . 5 1 1 A 37 37 GLY N N 37 110.726 114.438 -3.712 1 1 372 . 5 1 1 A 37 37 GLY H H 37 8.300 8.445 -0.145 1 1 373 . 5 1 1 A 37 37 GLY CA C 37 45.440 44.026 1.414 1 1 374 . 5 1 1 A 37 37 GLY HA2 H 37 4.009 4.265 -0.256 1 1 375 . 5 1 1 A 37 37 GLY HA3 H 37 3.935 4.272 -0.337 1 1 376 . 5 1 1 A 37 37 GLY C C 37 174.308 175.326 -1.018 1 1 377 . 5 1 1 A 38 38 GLU N N 38 120.764 118.251 2.513 1 1 378 . 5 1 1 A 38 38 GLU H H 38 8.144 8.748 -0.604 1 1 379 . 5 1 1 A 38 38 GLU CA C 38 56.738 59.516 -2.778 1 1 380 . 5 1 1 A 38 38 GLU HA H 38 4.240 3.949 0.291 1 1 381 . 5 1 1 A 38 38 GLU CB C 38 30.407 29.334 1.073 1 1 387 . 5 1 1 A 38 38 GLU C C 38 176.615 176.360 0.255 1 1 388 . 5 1 1 A 39 39 ARG N N 39 121.903 117.287 4.616 1 1 389 . 5 1 1 A 39 39 ARG H H 39 8.401 7.789 0.612 1 1 390 . 5 1 1 A 39 39 ARG CA C 39 56.022 57.069 -1.047 1 1 391 . 5 1 1 A 39 39 ARG HA H 39 4.372 3.865 0.507 1 1 392 . 5 1 1 A 39 39 ARG CB C 39 30.822 26.971 3.851 1 1 401 . 5 1 1 A 39 39 ARG C C 39 176.458 174.472 1.986 1 1 402 . 5 1 1 A 42 42 GLY CA C 42 44.688 45.217 -0.529 1 1 403 . 5 1 1 A 42 42 GLY HA2 H 42 4.120 4.175 -0.055 1 1 404 . 5 1 1 A 42 42 GLY HA3 H 42 4.120 4.176 -0.056 1 1 405 . 5 1 1 A 43 43 PRO CA C 43 63.243 63.754 -0.511 1 1 406 . 5 1 1 A 43 43 PRO HA H 43 4.464 4.527 -0.063 1 1 407 . 5 1 1 A 43 43 PRO CB C 43 32.210 31.815 0.395 1 1 1 . 6 1 1 A 9 9 GLY CA C 9 45.463 45.485 -0.022 1 1 2 . 6 1 1 A 9 9 GLY HA2 H 9 4.008 3.937 0.071 1 1 3 . 6 1 1 A 9 9 GLY HA3 H 9 3.922 3.938 -0.016 1 1 4 . 6 1 1 A 9 9 GLY C C 9 173.883 173.079 0.804 1 1 5 . 6 1 1 A 10 10 LYS N N 10 120.890 122.417 -1.527 1 1 6 . 6 1 1 A 10 10 LYS H H 10 8.081 8.894 -0.813 1 1 7 . 6 1 1 A 10 10 LYS CA C 10 56.099 55.325 0.774 1 1 8 . 6 1 1 A 10 10 LYS HA H 10 4.257 4.863 -0.606 1 1 9 . 6 1 1 A 10 10 LYS CB C 10 33.091 33.829 -0.738 1 1 21 . 6 1 1 A 10 10 LYS C C 10 176.341 175.828 0.513 1 1 22 . 6 1 1 A 11 11 LYS N N 11 124.299 124.685 -0.386 1 1 23 . 6 1 1 A 11 11 LYS H H 11 8.318 8.530 -0.212 1 1 24 . 6 1 1 A 11 11 LYS CA C 11 54.092 54.856 -0.764 1 1 25 . 6 1 1 A 11 11 LYS HA H 11 4.516 4.336 0.180 1 1 26 . 6 1 1 A 11 11 LYS CB C 11 32.429 31.863 0.566 1 1 38 . 6 1 1 A 11 11 LYS C C 11 174.559 176.885 -2.326 1 1 39 . 6 1 1 A 12 12 PRO CA C 12 63.174 65.834 -2.660 1 1 40 . 6 1 1 A 12 12 PRO HA H 12 4.307 4.304 0.003 1 1 41 . 6 1 1 A 12 12 PRO CB C 12 32.305 31.523 0.782 1 1 50 . 6 1 1 A 12 12 PRO C C 12 176.285 175.628 0.657 1 1 51 . 6 1 1 A 13 13 TYR N N 13 118.529 117.016 1.513 1 1 52 . 6 1 1 A 13 13 TYR H H 13 8.139 7.858 0.281 1 1 53 . 6 1 1 A 13 13 TYR CA C 13 57.904 56.629 1.275 1 1 54 . 6 1 1 A 13 13 TYR HA H 13 4.593 5.342 -0.749 1 1 55 . 6 1 1 A 13 13 TYR CB C 13 39.336 42.462 -3.126 1 1 66 . 6 1 1 A 13 13 TYR C C 13 174.790 174.407 0.383 1 1 67 . 6 1 1 A 14 14 GLU N N 14 123.238 118.599 4.639 1 1 68 . 6 1 1 A 14 14 GLU H H 14 8.698 9.183 -0.485 1 1 69 . 6 1 1 A 14 14 GLU CA C 14 54.739 55.135 -0.396 1 1 70 . 6 1 1 A 14 14 GLU HA H 14 4.934 5.221 -0.287 1 1 71 . 6 1 1 A 14 14 GLU CB C 14 33.864 33.341 0.523 1 1 77 . 6 1 1 A 14 14 GLU C C 14 175.146 174.831 0.315 1 1 78 . 6 1 1 A 15 15 CYS N N 15 126.999 124.451 2.548 1 1 79 . 6 1 1 A 15 15 CYS H H 15 9.003 9.262 -0.259 1 1 80 . 6 1 1 A 15 15 CYS CA C 15 59.138 59.352 -0.214 1 1 81 . 6 1 1 A 15 15 CYS HA H 15 4.566 4.623 -0.057 1 1 82 . 6 1 1 A 15 15 CYS CB C 15 29.682 28.832 0.850 1 1 85 . 6 1 1 A 15 15 CYS C C 15 176.861 174.664 2.197 1 1 86 . 6 1 1 A 16 16 LYS CA C 16 58.521 57.486 1.035 1 1 87 . 6 1 1 A 16 16 LYS HA H 16 4.134 4.481 -0.347 1 1 88 . 6 1 1 A 16 16 LYS CB C 16 32.265 34.219 -1.954 1 1 100 . 6 1 1 A 16 16 LYS C C 16 176.983 178.215 -1.232 1 1 101 . 6 1 1 A 17 17 GLU N N 17 119.122 118.533 0.589 1 1 102 . 6 1 1 A 17 17 GLU H H 17 8.546 7.915 0.631 1 1 103 . 6 1 1 A 17 17 GLU CA C 17 58.320 58.862 -0.542 1 1 104 . 6 1 1 A 17 17 GLU HA H 17 4.177 4.141 0.036 1 1 105 . 6 1 1 A 17 17 GLU CB C 17 29.439 29.962 -0.523 1 1 111 . 6 1 1 A 17 17 GLU C C 17 177.215 178.999 -1.784 1 1 112 . 6 1 1 A 18 18 CYS N N 18 115.644 117.196 -1.552 1 1 113 . 6 1 1 A 18 18 CYS H H 18 7.939 7.805 0.134 1 1 114 . 6 1 1 A 18 18 CYS CA C 18 58.632 60.253 -1.621 1 1 115 . 6 1 1 A 18 18 CYS HA H 18 5.062 4.422 0.640 1 1 116 . 6 1 1 A 18 18 CYS CB C 18 31.808 28.466 3.342 1 1 119 . 6 1 1 A 18 18 CYS C C 18 175.151 174.619 0.532 1 1 120 . 6 1 1 A 19 19 ARG N N 19 116.788 116.801 -0.013 1 1 121 . 6 1 1 A 19 19 ARG H H 19 8.171 7.909 0.262 1 1 122 . 6 1 1 A 19 19 ARG CA C 19 57.860 57.158 0.702 1 1 123 . 6 1 1 A 19 19 ARG HA H 19 4.148 3.927 0.221 1 1 124 . 6 1 1 A 19 19 ARG CB C 19 26.487 27.089 -0.602 1 1 133 . 6 1 1 A 19 19 ARG C C 19 175.492 174.269 1.223 1 1 134 . 6 1 1 A 20 20 LYS N N 20 121.616 118.928 2.688 1 1 135 . 6 1 1 A 20 20 LYS H H 20 7.920 7.996 -0.076 1 1 136 . 6 1 1 A 20 20 LYS CA C 20 58.019 54.924 3.095 1 1 137 . 6 1 1 A 20 20 LYS HA H 20 4.152 4.856 -0.704 1 1 138 . 6 1 1 A 20 20 LYS CB C 20 34.130 35.215 -1.085 1 1 150 . 6 1 1 A 20 20 LYS C C 20 175.066 176.510 -1.444 1 1 151 . 6 1 1 A 21 21 THR N N 21 110.534 116.179 -5.645 1 1 152 . 6 1 1 A 21 21 THR H H 21 7.580 8.523 -0.943 1 1 153 . 6 1 1 A 21 21 THR CA C 21 59.360 60.738 -1.378 1 1 154 . 6 1 1 A 21 21 THR HA H 21 5.208 5.580 -0.372 1 1 155 . 6 1 1 A 21 21 THR CB C 21 71.608 71.037 0.571 1 1 161 . 6 1 1 A 21 21 THR C C 21 173.627 173.815 -0.188 1 1 162 . 6 1 1 A 22 22 PHE N N 22 116.966 117.837 -0.871 1 1 163 . 6 1 1 A 22 22 PHE H H 22 8.725 8.831 -0.106 1 1 164 . 6 1 1 A 22 22 PHE CA C 22 57.114 56.636 0.478 1 1 165 . 6 1 1 A 22 22 PHE HA H 22 4.819 4.925 -0.106 1 1 166 . 6 1 1 A 22 22 PHE CB C 22 44.195 42.804 1.391 1 1 179 . 6 1 1 A 22 22 PHE C C 22 175.176 175.751 -0.575 1 1 180 . 6 1 1 A 23 23 ILE N N 23 119.763 122.671 -2.908 1 1 181 . 6 1 1 A 23 23 ILE H H 23 9.199 8.433 0.766 1 1 182 . 6 1 1 A 23 23 ILE CA C 23 62.706 64.323 -1.617 1 1 183 . 6 1 1 A 23 23 ILE HA H 23 4.309 4.010 0.299 1 1 184 . 6 1 1 A 23 23 ILE CB C 23 38.932 38.012 0.920 1 1 197 . 6 1 1 A 23 23 ILE C C 23 176.059 176.487 -0.428 1 1 198 . 6 1 1 A 24 24 GLN N N 24 115.642 119.400 -3.758 1 1 199 . 6 1 1 A 24 24 GLN H H 24 7.544 7.934 -0.390 1 1 200 . 6 1 1 A 24 24 GLN CA C 24 53.942 54.308 -0.366 1 1 201 . 6 1 1 A 24 24 GLN HA H 24 4.801 4.847 -0.046 1 1 202 . 6 1 1 A 24 24 GLN CB C 24 30.876 31.008 -0.132 1 1 211 . 6 1 1 A 24 24 GLN C C 24 177.011 175.892 1.119 1 1 212 . 6 1 1 A 25 25 ILE N N 25 126.235 125.687 0.548 1 1 213 . 6 1 1 A 25 25 ILE H H 25 8.690 8.920 -0.230 1 1 214 . 6 1 1 A 25 25 ILE CA C 25 63.136 64.360 -1.224 1 1 215 . 6 1 1 A 25 25 ILE HA H 25 3.186 3.648 -0.462 1 1 216 . 6 1 1 A 25 25 ILE CB C 25 37.472 37.404 0.068 1 1 229 . 6 1 1 A 25 25 ILE C C 25 176.863 178.043 -1.180 1 1 230 . 6 1 1 A 26 26 GLY N N 26 109.568 109.568 0.000 1 1 231 . 6 1 1 A 26 26 GLY H H 26 8.595 8.195 0.400 1 1 232 . 6 1 1 A 26 26 GLY CA C 26 46.804 47.358 -0.554 1 1 233 . 6 1 1 A 26 26 GLY HA2 H 26 3.837 3.665 0.172 1 1 234 . 6 1 1 A 26 26 GLY HA3 H 26 3.780 3.711 0.069 1 1 235 . 6 1 1 A 26 26 GLY C C 26 176.792 175.835 0.957 1 1 236 . 6 1 1 A 27 27 HIS N N 27 119.048 121.913 -2.865 1 1 237 . 6 1 1 A 27 27 HIS H H 27 6.921 8.129 -1.208 1 1 238 . 6 1 1 A 27 27 HIS CA C 27 57.080 59.182 -2.102 1 1 239 . 6 1 1 A 27 27 HIS HA H 27 4.482 4.093 0.389 1 1 240 . 6 1 1 A 27 27 HIS CB C 27 31.775 29.914 1.861 1 1 247 . 6 1 1 A 27 27 HIS C C 27 178.571 176.715 1.856 1 1 248 . 6 1 1 A 28 28 LEU N N 28 122.327 120.372 1.955 1 1 249 . 6 1 1 A 28 28 LEU H H 28 6.954 7.889 -0.935 1 1 250 . 6 1 1 A 28 28 LEU CA C 28 57.735 57.380 0.355 1 1 251 . 6 1 1 A 28 28 LEU HA H 28 3.018 3.032 -0.014 1 1 252 . 6 1 1 A 28 28 LEU CB C 28 40.149 41.210 -1.061 1 1 265 . 6 1 1 A 28 28 LEU C C 28 177.665 178.252 -0.587 1 1 266 . 6 1 1 A 29 29 ASN N N 29 117.755 115.889 1.866 1 1 267 . 6 1 1 A 29 29 ASN H H 29 8.452 8.557 -0.105 1 1 268 . 6 1 1 A 29 29 ASN CA C 29 56.110 56.330 -0.220 1 1 269 . 6 1 1 A 29 29 ASN HA H 29 4.287 4.268 0.019 1 1 270 . 6 1 1 A 29 29 ASN CB C 29 37.160 37.581 -0.421 1 1 276 . 6 1 1 A 29 29 ASN C C 29 178.326 177.308 1.018 1 1 277 . 6 1 1 A 30 30 GLN N N 30 118.797 119.219 -0.422 1 1 278 . 6 1 1 A 30 30 GLN H H 30 7.759 7.831 -0.072 1 1 279 . 6 1 1 A 30 30 GLN CA C 30 58.546 58.475 0.071 1 1 280 . 6 1 1 A 30 30 GLN HA H 30 4.030 3.994 0.036 1 1 281 . 6 1 1 A 30 30 GLN CB C 30 28.693 28.366 0.327 1 1 290 . 6 1 1 A 30 30 GLN C C 30 178.121 178.269 -0.148 1 1 291 . 6 1 1 A 31 31 HIS N N 31 119.702 119.171 0.531 1 1 292 . 6 1 1 A 31 31 HIS H H 31 7.664 7.666 -0.002 1 1 293 . 6 1 1 A 31 31 HIS CA C 31 58.885 57.970 0.915 1 1 294 . 6 1 1 A 31 31 HIS HA H 31 4.215 3.971 0.244 1 1 295 . 6 1 1 A 31 31 HIS CB C 31 28.494 30.055 -1.561 1 1 302 . 6 1 1 A 31 31 HIS C C 31 176.042 176.465 -0.423 1 1 303 . 6 1 1 A 32 32 LYS N N 32 115.824 118.510 -2.686 1 1 304 . 6 1 1 A 32 32 LYS H H 32 8.088 7.390 0.698 1 1 305 . 6 1 1 A 32 32 LYS CA C 32 60.123 57.973 2.150 1 1 306 . 6 1 1 A 32 32 LYS HA H 32 3.698 4.005 -0.307 1 1 307 . 6 1 1 A 32 32 LYS CB C 32 32.401 32.974 -0.573 1 1 319 . 6 1 1 A 32 32 LYS C C 32 177.823 179.138 -1.315 1 1 320 . 6 1 1 A 33 33 ARG N N 33 116.801 118.914 -2.113 1 1 321 . 6 1 1 A 33 33 ARG H H 33 7.063 7.544 -0.481 1 1 322 . 6 1 1 A 33 33 ARG CA C 33 58.202 58.893 -0.691 1 1 323 . 6 1 1 A 33 33 ARG HA H 33 4.133 4.044 0.089 1 1 324 . 6 1 1 A 33 33 ARG CB C 33 29.942 29.741 0.201 1 1 332 . 6 1 1 A 33 33 ARG C C 33 178.364 177.852 0.512 1 1 333 . 6 1 1 A 34 34 VAL N N 34 116.485 115.253 1.232 1 1 334 . 6 1 1 A 34 34 VAL H H 34 7.933 7.527 0.406 1 1 335 . 6 1 1 A 34 34 VAL CA C 34 63.948 65.589 -1.641 1 1 336 . 6 1 1 A 34 34 VAL HA H 34 3.873 3.718 0.155 1 1 337 . 6 1 1 A 34 34 VAL CB C 34 31.153 31.321 -0.168 1 1 347 . 6 1 1 A 34 34 VAL C C 34 177.213 177.835 -0.622 1 1 348 . 6 1 1 A 35 35 HIS N N 35 117.143 120.727 -3.584 1 1 349 . 6 1 1 A 35 35 HIS H H 35 7.182 7.927 -0.745 1 1 350 . 6 1 1 A 35 35 HIS CA C 35 55.134 59.175 -4.041 1 1 351 . 6 1 1 A 35 35 HIS HA H 35 4.836 4.087 0.749 1 1 352 . 6 1 1 A 35 35 HIS CB C 35 28.697 30.009 -1.312 1 1 359 . 6 1 1 A 35 35 HIS C C 35 175.649 177.803 -2.154 1 1 360 . 6 1 1 A 36 36 THR N N 36 112.212 111.247 0.965 1 1 361 . 6 1 1 A 36 36 THR H H 36 7.779 7.840 -0.061 1 1 362 . 6 1 1 A 36 36 THR CA C 36 62.601 63.524 -0.923 1 1 363 . 6 1 1 A 36 36 THR HA H 36 4.335 4.082 0.253 1 1 364 . 6 1 1 A 36 36 THR CB C 36 69.772 69.858 -0.086 1 1 370 . 6 1 1 A 36 36 THR C C 36 175.505 174.502 1.003 1 1 371 . 6 1 1 A 37 37 GLY N N 37 110.726 109.315 1.411 1 1 372 . 6 1 1 A 37 37 GLY H H 37 8.300 7.537 0.763 1 1 373 . 6 1 1 A 37 37 GLY CA C 37 45.440 43.961 1.479 1 1 374 . 6 1 1 A 37 37 GLY HA2 H 37 4.009 4.042 -0.033 1 1 375 . 6 1 1 A 37 37 GLY HA3 H 37 3.935 4.052 -0.117 1 1 376 . 6 1 1 A 37 37 GLY C C 37 174.308 173.961 0.347 1 1 377 . 6 1 1 A 38 38 GLU N N 38 120.764 120.062 0.702 1 1 378 . 6 1 1 A 38 38 GLU H H 38 8.144 8.444 -0.300 1 1 379 . 6 1 1 A 38 38 GLU CA C 38 56.738 57.505 -0.767 1 1 380 . 6 1 1 A 38 38 GLU HA H 38 4.240 4.257 -0.017 1 1 381 . 6 1 1 A 38 38 GLU CB C 38 30.407 30.794 -0.387 1 1 387 . 6 1 1 A 38 38 GLU C C 38 176.615 175.954 0.661 1 1 388 . 6 1 1 A 39 39 ARG N N 39 121.903 119.643 2.260 1 1 389 . 6 1 1 A 39 39 ARG H H 39 8.401 8.709 -0.308 1 1 390 . 6 1 1 A 39 39 ARG CA C 39 56.022 54.379 1.643 1 1 391 . 6 1 1 A 39 39 ARG HA H 39 4.372 5.277 -0.905 1 1 392 . 6 1 1 A 39 39 ARG CB C 39 30.822 34.296 -3.474 1 1 401 . 6 1 1 A 39 39 ARG C C 39 176.458 174.395 2.063 1 1 402 . 6 1 1 A 42 42 GLY CA C 42 44.688 44.629 0.059 1 1 403 . 6 1 1 A 42 42 GLY HA2 H 42 4.120 4.135 -0.015 1 1 404 . 6 1 1 A 42 42 GLY HA3 H 42 4.120 4.135 -0.015 1 1 405 . 6 1 1 A 43 43 PRO CA C 43 63.243 62.626 0.617 1 1 406 . 6 1 1 A 43 43 PRO HA H 43 4.464 4.737 -0.273 1 1 407 . 6 1 1 A 43 43 PRO CB C 43 32.210 30.319 1.891 1 1 1 . 7 1 1 A 9 9 GLY CA C 9 45.463 45.414 0.049 1 1 2 . 7 1 1 A 9 9 GLY HA2 H 9 4.008 4.118 -0.110 1 1 3 . 7 1 1 A 9 9 GLY HA3 H 9 3.922 4.118 -0.196 1 1 4 . 7 1 1 A 9 9 GLY C C 9 173.883 174.358 -0.475 1 1 5 . 7 1 1 A 10 10 LYS N N 10 120.890 120.785 0.105 1 1 6 . 7 1 1 A 10 10 LYS H H 10 8.081 8.436 -0.355 1 1 7 . 7 1 1 A 10 10 LYS CA C 10 56.099 55.969 0.130 1 1 8 . 7 1 1 A 10 10 LYS HA H 10 4.257 4.539 -0.282 1 1 9 . 7 1 1 A 10 10 LYS CB C 10 33.091 31.551 1.540 1 1 21 . 7 1 1 A 10 10 LYS C C 10 176.341 175.850 0.491 1 1 22 . 7 1 1 A 11 11 LYS N N 11 124.299 123.211 1.088 1 1 23 . 7 1 1 A 11 11 LYS H H 11 8.318 8.099 0.219 1 1 24 . 7 1 1 A 11 11 LYS CA C 11 54.092 53.753 0.339 1 1 25 . 7 1 1 A 11 11 LYS HA H 11 4.516 4.654 -0.138 1 1 26 . 7 1 1 A 11 11 LYS CB C 11 32.429 32.040 0.389 1 1 38 . 7 1 1 A 11 11 LYS C C 11 174.559 176.264 -1.705 1 1 39 . 7 1 1 A 12 12 PRO CA C 12 63.174 65.908 -2.734 1 1 40 . 7 1 1 A 12 12 PRO HA H 12 4.307 4.378 -0.071 1 1 41 . 7 1 1 A 12 12 PRO CB C 12 32.305 31.579 0.726 1 1 50 . 7 1 1 A 12 12 PRO C C 12 176.285 175.895 0.390 1 1 51 . 7 1 1 A 13 13 TYR N N 13 118.529 117.519 1.010 1 1 52 . 7 1 1 A 13 13 TYR H H 13 8.139 8.003 0.136 1 1 53 . 7 1 1 A 13 13 TYR CA C 13 57.904 57.029 0.875 1 1 54 . 7 1 1 A 13 13 TYR HA H 13 4.593 5.062 -0.469 1 1 55 . 7 1 1 A 13 13 TYR CB C 13 39.336 41.995 -2.659 1 1 66 . 7 1 1 A 13 13 TYR C C 13 174.790 174.897 -0.107 1 1 67 . 7 1 1 A 14 14 GLU N N 14 123.238 120.508 2.730 1 1 68 . 7 1 1 A 14 14 GLU H H 14 8.698 8.956 -0.258 1 1 69 . 7 1 1 A 14 14 GLU CA C 14 54.739 55.508 -0.769 1 1 70 . 7 1 1 A 14 14 GLU HA H 14 4.934 5.010 -0.076 1 1 71 . 7 1 1 A 14 14 GLU CB C 14 33.864 33.667 0.197 1 1 77 . 7 1 1 A 14 14 GLU C C 14 175.146 174.983 0.163 1 1 78 . 7 1 1 A 15 15 CYS N N 15 126.999 125.840 1.159 1 1 79 . 7 1 1 A 15 15 CYS H H 15 9.003 9.263 -0.260 1 1 80 . 7 1 1 A 15 15 CYS CA C 15 59.138 58.975 0.163 1 1 81 . 7 1 1 A 15 15 CYS HA H 15 4.566 4.778 -0.212 1 1 82 . 7 1 1 A 15 15 CYS CB C 15 29.682 29.450 0.232 1 1 85 . 7 1 1 A 15 15 CYS C C 15 176.861 176.229 0.632 1 1 86 . 7 1 1 A 16 16 LYS CA C 16 58.521 57.603 0.918 1 1 87 . 7 1 1 A 16 16 LYS HA H 16 4.134 4.517 -0.383 1 1 88 . 7 1 1 A 16 16 LYS CB C 16 32.265 33.871 -1.606 1 1 100 . 7 1 1 A 16 16 LYS C C 16 176.983 178.926 -1.943 1 1 101 . 7 1 1 A 17 17 GLU N N 17 119.122 119.246 -0.124 1 1 102 . 7 1 1 A 17 17 GLU H H 17 8.546 8.024 0.522 1 1 103 . 7 1 1 A 17 17 GLU CA C 17 58.320 58.936 -0.616 1 1 104 . 7 1 1 A 17 17 GLU HA H 17 4.177 4.080 0.097 1 1 105 . 7 1 1 A 17 17 GLU CB C 17 29.439 29.717 -0.278 1 1 111 . 7 1 1 A 17 17 GLU C C 17 177.215 179.010 -1.795 1 1 112 . 7 1 1 A 18 18 CYS N N 18 115.644 117.206 -1.562 1 1 113 . 7 1 1 A 18 18 CYS H H 18 7.939 7.973 -0.034 1 1 114 . 7 1 1 A 18 18 CYS CA C 18 58.632 60.020 -1.388 1 1 115 . 7 1 1 A 18 18 CYS HA H 18 5.062 4.461 0.601 1 1 116 . 7 1 1 A 18 18 CYS CB C 18 31.808 28.519 3.289 1 1 119 . 7 1 1 A 18 18 CYS C C 18 175.151 174.558 0.593 1 1 120 . 7 1 1 A 19 19 ARG N N 19 116.788 116.762 0.026 1 1 121 . 7 1 1 A 19 19 ARG H H 19 8.171 7.965 0.206 1 1 122 . 7 1 1 A 19 19 ARG CA C 19 57.860 57.171 0.689 1 1 123 . 7 1 1 A 19 19 ARG HA H 19 4.148 4.284 -0.136 1 1 124 . 7 1 1 A 19 19 ARG CB C 19 26.487 27.120 -0.633 1 1 133 . 7 1 1 A 19 19 ARG C C 19 175.492 174.514 0.978 1 1 134 . 7 1 1 A 20 20 LYS N N 20 121.616 118.919 2.697 1 1 135 . 7 1 1 A 20 20 LYS H H 20 7.920 7.950 -0.030 1 1 136 . 7 1 1 A 20 20 LYS CA C 20 58.019 54.785 3.234 1 1 137 . 7 1 1 A 20 20 LYS HA H 20 4.152 4.842 -0.690 1 1 138 . 7 1 1 A 20 20 LYS CB C 20 34.130 35.485 -1.355 1 1 150 . 7 1 1 A 20 20 LYS C C 20 175.066 176.503 -1.437 1 1 151 . 7 1 1 A 21 21 THR N N 21 110.534 114.613 -4.079 1 1 152 . 7 1 1 A 21 21 THR H H 21 7.580 8.403 -0.823 1 1 153 . 7 1 1 A 21 21 THR CA C 21 59.360 60.206 -0.846 1 1 154 . 7 1 1 A 21 21 THR HA H 21 5.208 5.614 -0.406 1 1 155 . 7 1 1 A 21 21 THR CB C 21 71.608 71.332 0.276 1 1 161 . 7 1 1 A 21 21 THR C C 21 173.627 173.594 0.033 1 1 162 . 7 1 1 A 22 22 PHE N N 22 116.966 118.292 -1.326 1 1 163 . 7 1 1 A 22 22 PHE H H 22 8.725 8.895 -0.170 1 1 164 . 7 1 1 A 22 22 PHE CA C 22 57.114 56.467 0.647 1 1 165 . 7 1 1 A 22 22 PHE HA H 22 4.819 4.979 -0.160 1 1 166 . 7 1 1 A 22 22 PHE CB C 22 44.195 41.270 2.925 1 1 179 . 7 1 1 A 22 22 PHE C C 22 175.176 175.888 -0.712 1 1 180 . 7 1 1 A 23 23 ILE N N 23 119.763 125.182 -5.419 1 1 181 . 7 1 1 A 23 23 ILE H H 23 9.199 8.607 0.592 1 1 182 . 7 1 1 A 23 23 ILE CA C 23 62.706 65.159 -2.453 1 1 183 . 7 1 1 A 23 23 ILE HA H 23 4.309 3.826 0.483 1 1 184 . 7 1 1 A 23 23 ILE CB C 23 38.932 38.129 0.803 1 1 197 . 7 1 1 A 23 23 ILE C C 23 176.059 176.447 -0.388 1 1 198 . 7 1 1 A 24 24 GLN N N 24 115.642 119.601 -3.959 1 1 199 . 7 1 1 A 24 24 GLN H H 24 7.544 8.066 -0.522 1 1 200 . 7 1 1 A 24 24 GLN CA C 24 53.942 54.291 -0.349 1 1 201 . 7 1 1 A 24 24 GLN HA H 24 4.801 4.864 -0.063 1 1 202 . 7 1 1 A 24 24 GLN CB C 24 30.876 31.634 -0.758 1 1 211 . 7 1 1 A 24 24 GLN C C 24 177.011 175.773 1.238 1 1 212 . 7 1 1 A 25 25 ILE N N 25 126.235 125.542 0.693 1 1 213 . 7 1 1 A 25 25 ILE H H 25 8.690 8.818 -0.128 1 1 214 . 7 1 1 A 25 25 ILE CA C 25 63.136 64.117 -0.981 1 1 215 . 7 1 1 A 25 25 ILE HA H 25 3.186 3.300 -0.114 1 1 216 . 7 1 1 A 25 25 ILE CB C 25 37.472 37.438 0.034 1 1 229 . 7 1 1 A 25 25 ILE C C 25 176.863 177.745 -0.882 1 1 230 . 7 1 1 A 26 26 GLY N N 26 109.568 109.734 -0.166 1 1 231 . 7 1 1 A 26 26 GLY H H 26 8.595 8.100 0.495 1 1 232 . 7 1 1 A 26 26 GLY CA C 26 46.804 47.349 -0.545 1 1 233 . 7 1 1 A 26 26 GLY HA2 H 26 3.837 3.583 0.254 1 1 234 . 7 1 1 A 26 26 GLY HA3 H 26 3.780 3.621 0.159 1 1 235 . 7 1 1 A 26 26 GLY C C 26 176.792 175.841 0.951 1 1 236 . 7 1 1 A 27 27 HIS N N 27 119.048 121.815 -2.767 1 1 237 . 7 1 1 A 27 27 HIS H H 27 6.921 8.153 -1.232 1 1 238 . 7 1 1 A 27 27 HIS CA C 27 57.080 59.477 -2.397 1 1 239 . 7 1 1 A 27 27 HIS HA H 27 4.482 4.086 0.396 1 1 240 . 7 1 1 A 27 27 HIS CB C 27 31.775 30.221 1.554 1 1 247 . 7 1 1 A 27 27 HIS C C 27 178.571 177.042 1.529 1 1 248 . 7 1 1 A 28 28 LEU N N 28 122.327 120.083 2.244 1 1 249 . 7 1 1 A 28 28 LEU H H 28 6.954 7.772 -0.818 1 1 250 . 7 1 1 A 28 28 LEU CA C 28 57.735 56.627 1.108 1 1 251 . 7 1 1 A 28 28 LEU HA H 28 3.018 3.157 -0.139 1 1 252 . 7 1 1 A 28 28 LEU CB C 28 40.149 41.899 -1.750 1 1 265 . 7 1 1 A 28 28 LEU C C 28 177.665 178.338 -0.673 1 1 266 . 7 1 1 A 29 29 ASN N N 29 117.755 116.596 1.159 1 1 267 . 7 1 1 A 29 29 ASN H H 29 8.452 8.635 -0.183 1 1 268 . 7 1 1 A 29 29 ASN CA C 29 56.110 56.427 -0.317 1 1 269 . 7 1 1 A 29 29 ASN HA H 29 4.287 4.277 0.010 1 1 270 . 7 1 1 A 29 29 ASN CB C 29 37.160 37.630 -0.470 1 1 276 . 7 1 1 A 29 29 ASN C C 29 178.326 177.660 0.666 1 1 277 . 7 1 1 A 30 30 GLN N N 30 118.797 119.734 -0.937 1 1 278 . 7 1 1 A 30 30 GLN H H 30 7.759 7.539 0.220 1 1 279 . 7 1 1 A 30 30 GLN CA C 30 58.546 58.467 0.079 1 1 280 . 7 1 1 A 30 30 GLN HA H 30 4.030 4.006 0.024 1 1 281 . 7 1 1 A 30 30 GLN CB C 30 28.693 28.354 0.339 1 1 290 . 7 1 1 A 30 30 GLN C C 30 178.121 178.005 0.116 1 1 291 . 7 1 1 A 31 31 HIS N N 31 119.702 119.680 0.022 1 1 292 . 7 1 1 A 31 31 HIS H H 31 7.664 7.719 -0.055 1 1 293 . 7 1 1 A 31 31 HIS CA C 31 58.885 59.917 -1.032 1 1 294 . 7 1 1 A 31 31 HIS HA H 31 4.215 4.137 0.078 1 1 295 . 7 1 1 A 31 31 HIS CB C 31 28.494 29.843 -1.349 1 1 302 . 7 1 1 A 31 31 HIS C C 31 176.042 177.293 -1.251 1 1 303 . 7 1 1 A 32 32 LYS N N 32 115.824 118.355 -2.531 1 1 304 . 7 1 1 A 32 32 LYS H H 32 8.088 8.166 -0.078 1 1 305 . 7 1 1 A 32 32 LYS CA C 32 60.123 59.800 0.323 1 1 306 . 7 1 1 A 32 32 LYS HA H 32 3.698 3.731 -0.033 1 1 307 . 7 1 1 A 32 32 LYS CB C 32 32.401 32.120 0.281 1 1 319 . 7 1 1 A 32 32 LYS C C 32 177.823 179.224 -1.401 1 1 320 . 7 1 1 A 33 33 ARG N N 33 116.801 118.886 -2.085 1 1 321 . 7 1 1 A 33 33 ARG H H 33 7.063 7.544 -0.481 1 1 322 . 7 1 1 A 33 33 ARG CA C 33 58.202 58.653 -0.451 1 1 323 . 7 1 1 A 33 33 ARG HA H 33 4.133 4.080 0.053 1 1 324 . 7 1 1 A 33 33 ARG CB C 33 29.942 29.981 -0.039 1 1 332 . 7 1 1 A 33 33 ARG C C 33 178.364 178.276 0.088 1 1 333 . 7 1 1 A 34 34 VAL N N 34 116.485 120.477 -3.992 1 1 334 . 7 1 1 A 34 34 VAL H H 34 7.933 8.112 -0.179 1 1 335 . 7 1 1 A 34 34 VAL CA C 34 63.948 66.038 -2.090 1 1 336 . 7 1 1 A 34 34 VAL HA H 34 3.873 3.579 0.294 1 1 337 . 7 1 1 A 34 34 VAL CB C 34 31.153 31.336 -0.183 1 1 347 . 7 1 1 A 34 34 VAL C C 34 177.213 178.044 -0.831 1 1 348 . 7 1 1 A 35 35 HIS N N 35 117.143 118.463 -1.320 1 1 349 . 7 1 1 A 35 35 HIS H H 35 7.182 7.435 -0.253 1 1 350 . 7 1 1 A 35 35 HIS CA C 35 55.134 58.532 -3.398 1 1 351 . 7 1 1 A 35 35 HIS HA H 35 4.836 4.396 0.440 1 1 352 . 7 1 1 A 35 35 HIS CB C 35 28.697 29.659 -0.962 1 1 359 . 7 1 1 A 35 35 HIS C C 35 175.649 175.757 -0.108 1 1 360 . 7 1 1 A 36 36 THR N N 36 112.212 111.151 1.061 1 1 361 . 7 1 1 A 36 36 THR H H 36 7.779 7.379 0.400 1 1 362 . 7 1 1 A 36 36 THR CA C 36 62.601 60.837 1.764 1 1 363 . 7 1 1 A 36 36 THR HA H 36 4.335 4.414 -0.079 1 1 364 . 7 1 1 A 36 36 THR CB C 36 69.772 70.533 -0.761 1 1 370 . 7 1 1 A 36 36 THR C C 36 175.505 174.484 1.021 1 1 371 . 7 1 1 A 37 37 GLY N N 37 110.726 110.350 0.376 1 1 372 . 7 1 1 A 37 37 GLY H H 37 8.300 8.774 -0.474 1 1 373 . 7 1 1 A 37 37 GLY CA C 37 45.440 44.578 0.862 1 1 374 . 7 1 1 A 37 37 GLY HA2 H 37 4.009 4.400 -0.391 1 1 375 . 7 1 1 A 37 37 GLY HA3 H 37 3.935 4.405 -0.470 1 1 376 . 7 1 1 A 37 37 GLY C C 37 174.308 173.860 0.448 1 1 377 . 7 1 1 A 38 38 GLU N N 38 120.764 117.949 2.815 1 1 378 . 7 1 1 A 38 38 GLU H H 38 8.144 8.728 -0.584 1 1 379 . 7 1 1 A 38 38 GLU CA C 38 56.738 55.879 0.859 1 1 380 . 7 1 1 A 38 38 GLU HA H 38 4.240 4.435 -0.195 1 1 381 . 7 1 1 A 38 38 GLU CB C 38 30.407 29.048 1.359 1 1 387 . 7 1 1 A 38 38 GLU C C 38 176.615 176.555 0.060 1 1 388 . 7 1 1 A 39 39 ARG N N 39 121.903 122.862 -0.959 1 1 389 . 7 1 1 A 39 39 ARG H H 39 8.401 7.552 0.849 1 1 390 . 7 1 1 A 39 39 ARG CA C 39 56.022 56.679 -0.657 1 1 391 . 7 1 1 A 39 39 ARG HA H 39 4.372 4.266 0.106 1 1 392 . 7 1 1 A 39 39 ARG CB C 39 30.822 30.564 0.258 1 1 401 . 7 1 1 A 39 39 ARG C C 39 176.458 175.816 0.642 1 1 402 . 7 1 1 A 42 42 GLY CA C 42 44.688 47.662 -2.974 1 1 403 . 7 1 1 A 42 42 GLY HA2 H 42 4.120 3.741 0.379 1 1 404 . 7 1 1 A 42 42 GLY HA3 H 42 4.120 3.741 0.379 1 1 405 . 7 1 1 A 43 43 PRO CA C 43 63.243 62.502 0.741 1 1 406 . 7 1 1 A 43 43 PRO HA H 43 4.464 4.560 -0.096 1 1 407 . 7 1 1 A 43 43 PRO CB C 43 32.210 32.870 -0.660 1 1 1 . 8 1 1 A 9 9 GLY CA C 9 45.463 45.673 -0.210 1 1 2 . 8 1 1 A 9 9 GLY HA2 H 9 4.008 4.024 -0.016 1 1 3 . 8 1 1 A 9 9 GLY HA3 H 9 3.922 4.025 -0.103 1 1 4 . 8 1 1 A 9 9 GLY C C 9 173.883 173.123 0.760 1 1 5 . 8 1 1 A 10 10 LYS N N 10 120.890 118.971 1.919 1 1 6 . 8 1 1 A 10 10 LYS H H 10 8.081 8.505 -0.424 1 1 7 . 8 1 1 A 10 10 LYS CA C 10 56.099 55.528 0.571 1 1 8 . 8 1 1 A 10 10 LYS HA H 10 4.257 4.745 -0.488 1 1 9 . 8 1 1 A 10 10 LYS CB C 10 33.091 32.945 0.146 1 1 21 . 8 1 1 A 10 10 LYS C C 10 176.341 175.152 1.189 1 1 22 . 8 1 1 A 11 11 LYS N N 11 124.299 120.697 3.602 1 1 23 . 8 1 1 A 11 11 LYS H H 11 8.318 7.990 0.328 1 1 24 . 8 1 1 A 11 11 LYS CA C 11 54.092 53.175 0.917 1 1 25 . 8 1 1 A 11 11 LYS HA H 11 4.516 4.865 -0.349 1 1 26 . 8 1 1 A 11 11 LYS CB C 11 32.429 35.013 -2.584 1 1 38 . 8 1 1 A 11 11 LYS C C 11 174.559 176.094 -1.535 1 1 39 . 8 1 1 A 12 12 PRO CA C 12 63.174 65.915 -2.741 1 1 40 . 8 1 1 A 12 12 PRO HA H 12 4.307 4.387 -0.080 1 1 41 . 8 1 1 A 12 12 PRO CB C 12 32.305 31.514 0.791 1 1 50 . 8 1 1 A 12 12 PRO C C 12 176.285 175.923 0.362 1 1 51 . 8 1 1 A 13 13 TYR N N 13 118.529 117.414 1.115 1 1 52 . 8 1 1 A 13 13 TYR H H 13 8.139 8.087 0.052 1 1 53 . 8 1 1 A 13 13 TYR CA C 13 57.904 57.303 0.601 1 1 54 . 8 1 1 A 13 13 TYR HA H 13 4.593 5.067 -0.474 1 1 55 . 8 1 1 A 13 13 TYR CB C 13 39.336 41.381 -2.045 1 1 66 . 8 1 1 A 13 13 TYR C C 13 174.790 174.824 -0.034 1 1 67 . 8 1 1 A 14 14 GLU N N 14 123.238 121.004 2.234 1 1 68 . 8 1 1 A 14 14 GLU H H 14 8.698 9.028 -0.330 1 1 69 . 8 1 1 A 14 14 GLU CA C 14 54.739 54.876 -0.137 1 1 70 . 8 1 1 A 14 14 GLU HA H 14 4.934 5.082 -0.148 1 1 71 . 8 1 1 A 14 14 GLU CB C 14 33.864 33.645 0.219 1 1 77 . 8 1 1 A 14 14 GLU C C 14 175.146 175.234 -0.088 1 1 78 . 8 1 1 A 15 15 CYS N N 15 126.999 125.857 1.142 1 1 79 . 8 1 1 A 15 15 CYS H H 15 9.003 8.801 0.202 1 1 80 . 8 1 1 A 15 15 CYS CA C 15 59.138 59.268 -0.130 1 1 81 . 8 1 1 A 15 15 CYS HA H 15 4.566 4.686 -0.120 1 1 82 . 8 1 1 A 15 15 CYS CB C 15 29.682 28.996 0.686 1 1 85 . 8 1 1 A 15 15 CYS C C 15 176.861 175.083 1.778 1 1 86 . 8 1 1 A 16 16 LYS CA C 16 58.521 56.520 2.001 1 1 87 . 8 1 1 A 16 16 LYS HA H 16 4.134 4.485 -0.351 1 1 88 . 8 1 1 A 16 16 LYS CB C 16 32.265 33.267 -1.002 1 1 100 . 8 1 1 A 16 16 LYS C C 16 176.983 176.996 -0.013 1 1 101 . 8 1 1 A 17 17 GLU N N 17 119.122 117.648 1.474 1 1 102 . 8 1 1 A 17 17 GLU H H 17 8.546 7.617 0.929 1 1 103 . 8 1 1 A 17 17 GLU CA C 17 58.320 58.334 -0.014 1 1 104 . 8 1 1 A 17 17 GLU HA H 17 4.177 4.289 -0.112 1 1 105 . 8 1 1 A 17 17 GLU CB C 17 29.439 30.278 -0.839 1 1 111 . 8 1 1 A 17 17 GLU C C 17 177.215 178.220 -1.005 1 1 112 . 8 1 1 A 18 18 CYS N N 18 115.644 115.705 -0.061 1 1 113 . 8 1 1 A 18 18 CYS H H 18 7.939 7.821 0.118 1 1 114 . 8 1 1 A 18 18 CYS CA C 18 58.632 58.917 -0.285 1 1 115 . 8 1 1 A 18 18 CYS HA H 18 5.062 4.478 0.584 1 1 116 . 8 1 1 A 18 18 CYS CB C 18 31.808 28.130 3.678 1 1 119 . 8 1 1 A 18 18 CYS C C 18 175.151 174.307 0.844 1 1 120 . 8 1 1 A 19 19 ARG N N 19 116.788 116.534 0.254 1 1 121 . 8 1 1 A 19 19 ARG H H 19 8.171 7.952 0.219 1 1 122 . 8 1 1 A 19 19 ARG CA C 19 57.860 57.182 0.678 1 1 123 . 8 1 1 A 19 19 ARG HA H 19 4.148 4.308 -0.160 1 1 124 . 8 1 1 A 19 19 ARG CB C 19 26.487 27.126 -0.639 1 1 133 . 8 1 1 A 19 19 ARG C C 19 175.492 174.711 0.781 1 1 134 . 8 1 1 A 20 20 LYS N N 20 121.616 120.024 1.592 1 1 135 . 8 1 1 A 20 20 LYS H H 20 7.920 7.479 0.441 1 1 136 . 8 1 1 A 20 20 LYS CA C 20 58.019 56.132 1.887 1 1 137 . 8 1 1 A 20 20 LYS HA H 20 4.152 4.448 -0.296 1 1 138 . 8 1 1 A 20 20 LYS CB C 20 34.130 33.742 0.388 1 1 150 . 8 1 1 A 20 20 LYS C C 20 175.066 176.161 -1.095 1 1 151 . 8 1 1 A 21 21 THR N N 21 110.534 115.586 -5.052 1 1 152 . 8 1 1 A 21 21 THR H H 21 7.580 8.329 -0.749 1 1 153 . 8 1 1 A 21 21 THR CA C 21 59.360 60.456 -1.096 1 1 154 . 8 1 1 A 21 21 THR HA H 21 5.208 5.581 -0.373 1 1 155 . 8 1 1 A 21 21 THR CB C 21 71.608 71.143 0.465 1 1 161 . 8 1 1 A 21 21 THR C C 21 173.627 173.598 0.029 1 1 162 . 8 1 1 A 22 22 PHE N N 22 116.966 118.237 -1.271 1 1 163 . 8 1 1 A 22 22 PHE H H 22 8.725 8.911 -0.186 1 1 164 . 8 1 1 A 22 22 PHE CA C 22 57.114 56.482 0.632 1 1 165 . 8 1 1 A 22 22 PHE HA H 22 4.819 4.899 -0.080 1 1 166 . 8 1 1 A 22 22 PHE CB C 22 44.195 42.513 1.682 1 1 179 . 8 1 1 A 22 22 PHE C C 22 175.176 175.812 -0.636 1 1 180 . 8 1 1 A 23 23 ILE N N 23 119.763 124.343 -4.580 1 1 181 . 8 1 1 A 23 23 ILE H H 23 9.199 8.468 0.731 1 1 182 . 8 1 1 A 23 23 ILE CA C 23 62.706 65.027 -2.321 1 1 183 . 8 1 1 A 23 23 ILE HA H 23 4.309 3.808 0.501 1 1 184 . 8 1 1 A 23 23 ILE CB C 23 38.932 38.014 0.918 1 1 197 . 8 1 1 A 23 23 ILE C C 23 176.059 176.435 -0.376 1 1 198 . 8 1 1 A 24 24 GLN N N 24 115.642 119.428 -3.786 1 1 199 . 8 1 1 A 24 24 GLN H H 24 7.544 7.949 -0.405 1 1 200 . 8 1 1 A 24 24 GLN CA C 24 53.942 54.206 -0.264 1 1 201 . 8 1 1 A 24 24 GLN HA H 24 4.801 4.825 -0.024 1 1 202 . 8 1 1 A 24 24 GLN CB C 24 30.876 31.542 -0.666 1 1 211 . 8 1 1 A 24 24 GLN C C 24 177.011 175.789 1.222 1 1 212 . 8 1 1 A 25 25 ILE N N 25 126.235 125.714 0.521 1 1 213 . 8 1 1 A 25 25 ILE H H 25 8.690 8.825 -0.135 1 1 214 . 8 1 1 A 25 25 ILE CA C 25 63.136 64.298 -1.162 1 1 215 . 8 1 1 A 25 25 ILE HA H 25 3.186 3.335 -0.149 1 1 216 . 8 1 1 A 25 25 ILE CB C 25 37.472 37.451 0.021 1 1 229 . 8 1 1 A 25 25 ILE C C 25 176.863 177.817 -0.954 1 1 230 . 8 1 1 A 26 26 GLY N N 26 109.568 109.799 -0.231 1 1 231 . 8 1 1 A 26 26 GLY H H 26 8.595 8.105 0.490 1 1 232 . 8 1 1 A 26 26 GLY CA C 26 46.804 47.397 -0.593 1 1 233 . 8 1 1 A 26 26 GLY HA2 H 26 3.837 3.674 0.163 1 1 234 . 8 1 1 A 26 26 GLY HA3 H 26 3.780 3.743 0.037 1 1 235 . 8 1 1 A 26 26 GLY C C 26 176.792 176.408 0.384 1 1 236 . 8 1 1 A 27 27 HIS N N 27 119.048 120.137 -1.089 1 1 237 . 8 1 1 A 27 27 HIS H H 27 6.921 8.186 -1.265 1 1 238 . 8 1 1 A 27 27 HIS CA C 27 57.080 58.543 -1.463 1 1 239 . 8 1 1 A 27 27 HIS HA H 27 4.482 4.643 -0.161 1 1 240 . 8 1 1 A 27 27 HIS CB C 27 31.775 30.064 1.711 1 1 247 . 8 1 1 A 27 27 HIS C C 27 178.571 177.800 0.771 1 1 248 . 8 1 1 A 28 28 LEU N N 28 122.327 120.692 1.635 1 1 249 . 8 1 1 A 28 28 LEU H H 28 6.954 7.863 -0.909 1 1 250 . 8 1 1 A 28 28 LEU CA C 28 57.735 57.130 0.605 1 1 251 . 8 1 1 A 28 28 LEU HA H 28 3.018 2.806 0.212 1 1 252 . 8 1 1 A 28 28 LEU CB C 28 40.149 41.551 -1.402 1 1 265 . 8 1 1 A 28 28 LEU C C 28 177.665 178.391 -0.726 1 1 266 . 8 1 1 A 29 29 ASN N N 29 117.755 115.987 1.768 1 1 267 . 8 1 1 A 29 29 ASN H H 29 8.452 8.774 -0.322 1 1 268 . 8 1 1 A 29 29 ASN CA C 29 56.110 56.395 -0.285 1 1 269 . 8 1 1 A 29 29 ASN HA H 29 4.287 4.274 0.013 1 1 270 . 8 1 1 A 29 29 ASN CB C 29 37.160 37.783 -0.623 1 1 276 . 8 1 1 A 29 29 ASN C C 29 178.326 177.492 0.834 1 1 277 . 8 1 1 A 30 30 GLN N N 30 118.797 119.694 -0.897 1 1 278 . 8 1 1 A 30 30 GLN H H 30 7.759 7.583 0.176 1 1 279 . 8 1 1 A 30 30 GLN CA C 30 58.546 58.721 -0.175 1 1 280 . 8 1 1 A 30 30 GLN HA H 30 4.030 4.018 0.012 1 1 281 . 8 1 1 A 30 30 GLN CB C 30 28.693 28.213 0.480 1 1 290 . 8 1 1 A 30 30 GLN C C 30 178.121 178.378 -0.257 1 1 291 . 8 1 1 A 31 31 HIS N N 31 119.702 119.643 0.059 1 1 292 . 8 1 1 A 31 31 HIS H H 31 7.664 7.716 -0.052 1 1 293 . 8 1 1 A 31 31 HIS CA C 31 58.885 59.956 -1.071 1 1 294 . 8 1 1 A 31 31 HIS HA H 31 4.215 4.164 0.051 1 1 295 . 8 1 1 A 31 31 HIS CB C 31 28.494 29.510 -1.016 1 1 302 . 8 1 1 A 31 31 HIS C C 31 176.042 177.036 -0.994 1 1 303 . 8 1 1 A 32 32 LYS N N 32 115.824 118.036 -2.212 1 1 304 . 8 1 1 A 32 32 LYS H H 32 8.088 8.026 0.062 1 1 305 . 8 1 1 A 32 32 LYS CA C 32 60.123 59.474 0.649 1 1 306 . 8 1 1 A 32 32 LYS HA H 32 3.698 3.867 -0.169 1 1 307 . 8 1 1 A 32 32 LYS CB C 32 32.401 31.873 0.528 1 1 319 . 8 1 1 A 32 32 LYS C C 32 177.823 179.507 -1.684 1 1 320 . 8 1 1 A 33 33 ARG N N 33 116.801 119.218 -2.417 1 1 321 . 8 1 1 A 33 33 ARG H H 33 7.063 7.985 -0.922 1 1 322 . 8 1 1 A 33 33 ARG CA C 33 58.202 59.541 -1.339 1 1 323 . 8 1 1 A 33 33 ARG HA H 33 4.133 4.003 0.130 1 1 324 . 8 1 1 A 33 33 ARG CB C 33 29.942 30.530 -0.588 1 1 332 . 8 1 1 A 33 33 ARG C C 33 178.364 179.098 -0.734 1 1 333 . 8 1 1 A 34 34 VAL N N 34 116.485 116.688 -0.203 1 1 334 . 8 1 1 A 34 34 VAL H H 34 7.933 7.547 0.386 1 1 335 . 8 1 1 A 34 34 VAL CA C 34 63.948 65.227 -1.279 1 1 336 . 8 1 1 A 34 34 VAL HA H 34 3.873 3.723 0.150 1 1 337 . 8 1 1 A 34 34 VAL CB C 34 31.153 31.187 -0.034 1 1 347 . 8 1 1 A 34 34 VAL C C 34 177.213 177.036 0.177 1 1 348 . 8 1 1 A 35 35 HIS N N 35 117.143 119.605 -2.462 1 1 349 . 8 1 1 A 35 35 HIS H H 35 7.182 7.583 -0.401 1 1 350 . 8 1 1 A 35 35 HIS CA C 35 55.134 54.704 0.430 1 1 351 . 8 1 1 A 35 35 HIS HA H 35 4.836 4.582 0.254 1 1 352 . 8 1 1 A 35 35 HIS CB C 35 28.697 28.305 0.392 1 1 359 . 8 1 1 A 35 35 HIS C C 35 175.649 175.923 -0.274 1 1 360 . 8 1 1 A 36 36 THR N N 36 112.212 112.818 -0.606 1 1 361 . 8 1 1 A 36 36 THR H H 36 7.779 7.509 0.270 1 1 362 . 8 1 1 A 36 36 THR CA C 36 62.601 62.900 -0.299 1 1 363 . 8 1 1 A 36 36 THR HA H 36 4.335 4.374 -0.039 1 1 364 . 8 1 1 A 36 36 THR CB C 36 69.772 70.556 -0.784 1 1 370 . 8 1 1 A 36 36 THR C C 36 175.505 175.014 0.491 1 1 371 . 8 1 1 A 37 37 GLY N N 37 110.726 105.401 5.325 1 1 372 . 8 1 1 A 37 37 GLY H H 37 8.300 7.314 0.986 1 1 373 . 8 1 1 A 37 37 GLY CA C 37 45.440 45.724 -0.284 1 1 374 . 8 1 1 A 37 37 GLY HA2 H 37 4.009 4.089 -0.080 1 1 375 . 8 1 1 A 37 37 GLY HA3 H 37 3.935 4.095 -0.160 1 1 376 . 8 1 1 A 37 37 GLY C C 37 174.308 173.016 1.292 1 1 377 . 8 1 1 A 38 38 GLU N N 38 120.764 121.195 -0.431 1 1 378 . 8 1 1 A 38 38 GLU H H 38 8.144 8.759 -0.615 1 1 379 . 8 1 1 A 38 38 GLU CA C 38 56.738 56.116 0.622 1 1 380 . 8 1 1 A 38 38 GLU HA H 38 4.240 4.553 -0.313 1 1 381 . 8 1 1 A 38 38 GLU CB C 38 30.407 30.452 -0.045 1 1 387 . 8 1 1 A 38 38 GLU C C 38 176.615 176.318 0.297 1 1 388 . 8 1 1 A 39 39 ARG N N 39 121.903 124.468 -2.565 1 1 389 . 8 1 1 A 39 39 ARG H H 39 8.401 8.547 -0.146 1 1 390 . 8 1 1 A 39 39 ARG CA C 39 56.022 54.724 1.298 1 1 391 . 8 1 1 A 39 39 ARG HA H 39 4.372 5.066 -0.694 1 1 392 . 8 1 1 A 39 39 ARG CB C 39 30.822 32.447 -1.625 1 1 401 . 8 1 1 A 39 39 ARG C C 39 176.458 174.527 1.931 1 1 402 . 8 1 1 A 42 42 GLY CA C 42 44.688 47.120 -2.432 1 1 403 . 8 1 1 A 42 42 GLY HA2 H 42 4.120 3.936 0.184 1 1 404 . 8 1 1 A 42 42 GLY HA3 H 42 4.120 3.936 0.184 1 1 405 . 8 1 1 A 43 43 PRO CA C 43 63.243 62.721 0.522 1 1 406 . 8 1 1 A 43 43 PRO HA H 43 4.464 4.706 -0.242 1 1 407 . 8 1 1 A 43 43 PRO CB C 43 32.210 30.778 1.432 1 1 1 . 9 1 1 A 9 9 GLY CA C 9 45.463 45.678 -0.215 1 1 2 . 9 1 1 A 9 9 GLY HA2 H 9 4.008 4.113 -0.105 1 1 3 . 9 1 1 A 9 9 GLY HA3 H 9 3.922 4.114 -0.192 1 1 4 . 9 1 1 A 9 9 GLY C C 9 173.883 172.655 1.228 1 1 5 . 9 1 1 A 10 10 LYS N N 10 120.890 124.746 -3.856 1 1 6 . 9 1 1 A 10 10 LYS H H 10 8.081 8.831 -0.750 1 1 7 . 9 1 1 A 10 10 LYS CA C 10 56.099 55.221 0.878 1 1 8 . 9 1 1 A 10 10 LYS HA H 10 4.257 4.643 -0.386 1 1 9 . 9 1 1 A 10 10 LYS CB C 10 33.091 32.059 1.032 1 1 21 . 9 1 1 A 10 10 LYS C C 10 176.341 174.764 1.577 1 1 22 . 9 1 1 A 11 11 LYS N N 11 124.299 120.253 4.046 1 1 23 . 9 1 1 A 11 11 LYS H H 11 8.318 8.274 0.044 1 1 24 . 9 1 1 A 11 11 LYS CA C 11 54.092 53.888 0.204 1 1 25 . 9 1 1 A 11 11 LYS HA H 11 4.516 4.949 -0.433 1 1 26 . 9 1 1 A 11 11 LYS CB C 11 32.429 35.173 -2.744 1 1 38 . 9 1 1 A 11 11 LYS C C 11 174.559 175.668 -1.109 1 1 39 . 9 1 1 A 12 12 PRO CA C 12 63.174 65.630 -2.456 1 1 40 . 9 1 1 A 12 12 PRO HA H 12 4.307 4.165 0.142 1 1 41 . 9 1 1 A 12 12 PRO CB C 12 32.305 31.409 0.896 1 1 50 . 9 1 1 A 12 12 PRO C C 12 176.285 175.989 0.296 1 1 51 . 9 1 1 A 13 13 TYR N N 13 118.529 115.736 2.793 1 1 52 . 9 1 1 A 13 13 TYR H H 13 8.139 7.910 0.229 1 1 53 . 9 1 1 A 13 13 TYR CA C 13 57.904 56.773 1.131 1 1 54 . 9 1 1 A 13 13 TYR HA H 13 4.593 5.288 -0.695 1 1 55 . 9 1 1 A 13 13 TYR CB C 13 39.336 41.181 -1.845 1 1 66 . 9 1 1 A 13 13 TYR C C 13 174.790 174.371 0.419 1 1 67 . 9 1 1 A 14 14 GLU N N 14 123.238 124.792 -1.554 1 1 68 . 9 1 1 A 14 14 GLU H H 14 8.698 9.126 -0.428 1 1 69 . 9 1 1 A 14 14 GLU CA C 14 54.739 55.032 -0.293 1 1 70 . 9 1 1 A 14 14 GLU HA H 14 4.934 5.064 -0.130 1 1 71 . 9 1 1 A 14 14 GLU CB C 14 33.864 31.596 2.268 1 1 77 . 9 1 1 A 14 14 GLU C C 14 175.146 176.238 -1.092 1 1 78 . 9 1 1 A 15 15 CYS N N 15 126.999 125.446 1.553 1 1 79 . 9 1 1 A 15 15 CYS H H 15 9.003 8.712 0.291 1 1 80 . 9 1 1 A 15 15 CYS CA C 15 59.138 59.291 -0.153 1 1 81 . 9 1 1 A 15 15 CYS HA H 15 4.566 4.571 -0.005 1 1 82 . 9 1 1 A 15 15 CYS CB C 15 29.682 28.785 0.897 1 1 85 . 9 1 1 A 15 15 CYS C C 15 176.861 175.018 1.843 1 1 86 . 9 1 1 A 16 16 LYS CA C 16 58.521 56.487 2.034 1 1 87 . 9 1 1 A 16 16 LYS HA H 16 4.134 4.530 -0.396 1 1 88 . 9 1 1 A 16 16 LYS CB C 16 32.265 33.947 -1.682 1 1 100 . 9 1 1 A 16 16 LYS C C 16 176.983 176.903 0.080 1 1 101 . 9 1 1 A 17 17 GLU N N 17 119.122 119.554 -0.432 1 1 102 . 9 1 1 A 17 17 GLU H H 17 8.546 8.124 0.422 1 1 103 . 9 1 1 A 17 17 GLU CA C 17 58.320 58.189 0.131 1 1 104 . 9 1 1 A 17 17 GLU HA H 17 4.177 4.195 -0.018 1 1 105 . 9 1 1 A 17 17 GLU CB C 17 29.439 30.113 -0.674 1 1 111 . 9 1 1 A 17 17 GLU C C 17 177.215 178.641 -1.426 1 1 112 . 9 1 1 A 18 18 CYS N N 18 115.644 117.584 -1.940 1 1 113 . 9 1 1 A 18 18 CYS H H 18 7.939 8.069 -0.130 1 1 114 . 9 1 1 A 18 18 CYS CA C 18 58.632 59.080 -0.448 1 1 115 . 9 1 1 A 18 18 CYS HA H 18 5.062 4.530 0.532 1 1 116 . 9 1 1 A 18 18 CYS CB C 18 31.808 27.884 3.924 1 1 119 . 9 1 1 A 18 18 CYS C C 18 175.151 174.104 1.047 1 1 120 . 9 1 1 A 19 19 ARG N N 19 116.788 116.796 -0.008 1 1 121 . 9 1 1 A 19 19 ARG H H 19 8.171 7.962 0.209 1 1 122 . 9 1 1 A 19 19 ARG CA C 19 57.860 56.915 0.945 1 1 123 . 9 1 1 A 19 19 ARG HA H 19 4.148 3.918 0.230 1 1 124 . 9 1 1 A 19 19 ARG CB C 19 26.487 27.828 -1.341 1 1 133 . 9 1 1 A 19 19 ARG C C 19 175.492 174.467 1.025 1 1 134 . 9 1 1 A 20 20 LYS N N 20 121.616 118.765 2.851 1 1 135 . 9 1 1 A 20 20 LYS H H 20 7.920 7.968 -0.048 1 1 136 . 9 1 1 A 20 20 LYS CA C 20 58.019 55.478 2.541 1 1 137 . 9 1 1 A 20 20 LYS HA H 20 4.152 4.791 -0.639 1 1 138 . 9 1 1 A 20 20 LYS CB C 20 34.130 34.463 -0.333 1 1 150 . 9 1 1 A 20 20 LYS C C 20 175.066 176.330 -1.264 1 1 151 . 9 1 1 A 21 21 THR N N 21 110.534 115.321 -4.787 1 1 152 . 9 1 1 A 21 21 THR H H 21 7.580 8.410 -0.830 1 1 153 . 9 1 1 A 21 21 THR CA C 21 59.360 60.367 -1.007 1 1 154 . 9 1 1 A 21 21 THR HA H 21 5.208 5.600 -0.392 1 1 155 . 9 1 1 A 21 21 THR CB C 21 71.608 70.768 0.840 1 1 161 . 9 1 1 A 21 21 THR C C 21 173.627 173.803 -0.176 1 1 162 . 9 1 1 A 22 22 PHE N N 22 116.966 118.681 -1.715 1 1 163 . 9 1 1 A 22 22 PHE H H 22 8.725 8.930 -0.205 1 1 164 . 9 1 1 A 22 22 PHE CA C 22 57.114 56.404 0.710 1 1 165 . 9 1 1 A 22 22 PHE HA H 22 4.819 4.879 -0.060 1 1 166 . 9 1 1 A 22 22 PHE CB C 22 44.195 41.588 2.607 1 1 179 . 9 1 1 A 22 22 PHE C C 22 175.176 176.051 -0.875 1 1 180 . 9 1 1 A 23 23 ILE N N 23 119.763 124.220 -4.457 1 1 181 . 9 1 1 A 23 23 ILE H H 23 9.199 8.450 0.749 1 1 182 . 9 1 1 A 23 23 ILE CA C 23 62.706 65.431 -2.725 1 1 183 . 9 1 1 A 23 23 ILE HA H 23 4.309 3.839 0.470 1 1 184 . 9 1 1 A 23 23 ILE CB C 23 38.932 38.198 0.734 1 1 197 . 9 1 1 A 23 23 ILE C C 23 176.059 176.578 -0.519 1 1 198 . 9 1 1 A 24 24 GLN N N 24 115.642 119.349 -3.707 1 1 199 . 9 1 1 A 24 24 GLN H H 24 7.544 8.300 -0.756 1 1 200 . 9 1 1 A 24 24 GLN CA C 24 53.942 54.240 -0.298 1 1 201 . 9 1 1 A 24 24 GLN HA H 24 4.801 4.940 -0.139 1 1 202 . 9 1 1 A 24 24 GLN CB C 24 30.876 30.741 0.135 1 1 211 . 9 1 1 A 24 24 GLN C C 24 177.011 176.449 0.562 1 1 212 . 9 1 1 A 25 25 ILE N N 25 126.235 125.346 0.889 1 1 213 . 9 1 1 A 25 25 ILE H H 25 8.690 8.912 -0.222 1 1 214 . 9 1 1 A 25 25 ILE CA C 25 63.136 64.127 -0.991 1 1 215 . 9 1 1 A 25 25 ILE HA H 25 3.186 3.256 -0.070 1 1 216 . 9 1 1 A 25 25 ILE CB C 25 37.472 37.220 0.252 1 1 229 . 9 1 1 A 25 25 ILE C C 25 176.863 178.064 -1.201 1 1 230 . 9 1 1 A 26 26 GLY N N 26 109.568 109.337 0.231 1 1 231 . 9 1 1 A 26 26 GLY H H 26 8.595 8.127 0.468 1 1 232 . 9 1 1 A 26 26 GLY CA C 26 46.804 47.382 -0.578 1 1 233 . 9 1 1 A 26 26 GLY HA2 H 26 3.837 3.683 0.154 1 1 234 . 9 1 1 A 26 26 GLY HA3 H 26 3.780 3.725 0.055 1 1 235 . 9 1 1 A 26 26 GLY C C 26 176.792 175.645 1.147 1 1 236 . 9 1 1 A 27 27 HIS N N 27 119.048 121.909 -2.861 1 1 237 . 9 1 1 A 27 27 HIS H H 27 6.921 8.167 -1.246 1 1 238 . 9 1 1 A 27 27 HIS CA C 27 57.080 59.245 -2.165 1 1 239 . 9 1 1 A 27 27 HIS HA H 27 4.482 4.193 0.289 1 1 240 . 9 1 1 A 27 27 HIS CB C 27 31.775 29.653 2.122 1 1 247 . 9 1 1 A 27 27 HIS C C 27 178.571 176.949 1.622 1 1 248 . 9 1 1 A 28 28 LEU N N 28 122.327 120.070 2.257 1 1 249 . 9 1 1 A 28 28 LEU H H 28 6.954 8.019 -1.065 1 1 250 . 9 1 1 A 28 28 LEU CA C 28 57.735 57.335 0.400 1 1 251 . 9 1 1 A 28 28 LEU HA H 28 3.018 2.839 0.179 1 1 252 . 9 1 1 A 28 28 LEU CB C 28 40.149 40.834 -0.685 1 1 265 . 9 1 1 A 28 28 LEU C C 28 177.665 178.684 -1.019 1 1 266 . 9 1 1 A 29 29 ASN N N 29 117.755 116.883 0.872 1 1 267 . 9 1 1 A 29 29 ASN H H 29 8.452 7.946 0.506 1 1 268 . 9 1 1 A 29 29 ASN CA C 29 56.110 56.350 -0.240 1 1 269 . 9 1 1 A 29 29 ASN HA H 29 4.287 4.366 -0.079 1 1 270 . 9 1 1 A 29 29 ASN CB C 29 37.160 37.843 -0.683 1 1 276 . 9 1 1 A 29 29 ASN C C 29 178.326 177.698 0.628 1 1 277 . 9 1 1 A 30 30 GLN N N 30 118.797 119.801 -1.004 1 1 278 . 9 1 1 A 30 30 GLN H H 30 7.759 8.048 -0.289 1 1 279 . 9 1 1 A 30 30 GLN CA C 30 58.546 58.530 0.016 1 1 280 . 9 1 1 A 30 30 GLN HA H 30 4.030 4.070 -0.040 1 1 281 . 9 1 1 A 30 30 GLN CB C 30 28.693 28.700 -0.007 1 1 290 . 9 1 1 A 30 30 GLN C C 30 178.121 178.300 -0.179 1 1 291 . 9 1 1 A 31 31 HIS N N 31 119.702 119.903 -0.201 1 1 292 . 9 1 1 A 31 31 HIS H H 31 7.664 7.805 -0.141 1 1 293 . 9 1 1 A 31 31 HIS CA C 31 58.885 59.267 -0.382 1 1 294 . 9 1 1 A 31 31 HIS HA H 31 4.215 4.302 -0.087 1 1 295 . 9 1 1 A 31 31 HIS CB C 31 28.494 29.795 -1.301 1 1 302 . 9 1 1 A 31 31 HIS C C 31 176.042 177.007 -0.965 1 1 303 . 9 1 1 A 32 32 LYS N N 32 115.824 117.939 -2.115 1 1 304 . 9 1 1 A 32 32 LYS H H 32 8.088 8.333 -0.245 1 1 305 . 9 1 1 A 32 32 LYS CA C 32 60.123 58.695 1.428 1 1 306 . 9 1 1 A 32 32 LYS HA H 32 3.698 3.932 -0.234 1 1 307 . 9 1 1 A 32 32 LYS CB C 32 32.401 32.098 0.303 1 1 319 . 9 1 1 A 32 32 LYS C C 32 177.823 178.793 -0.970 1 1 320 . 9 1 1 A 33 33 ARG N N 33 116.801 118.765 -1.964 1 1 321 . 9 1 1 A 33 33 ARG H H 33 7.063 7.943 -0.880 1 1 322 . 9 1 1 A 33 33 ARG CA C 33 58.202 59.560 -1.358 1 1 323 . 9 1 1 A 33 33 ARG HA H 33 4.133 3.992 0.141 1 1 324 . 9 1 1 A 33 33 ARG CB C 33 29.942 30.698 -0.756 1 1 332 . 9 1 1 A 33 33 ARG C C 33 178.364 178.964 -0.600 1 1 333 . 9 1 1 A 34 34 VAL N N 34 116.485 117.220 -0.735 1 1 334 . 9 1 1 A 34 34 VAL H H 34 7.933 7.508 0.425 1 1 335 . 9 1 1 A 34 34 VAL CA C 34 63.948 65.546 -1.598 1 1 336 . 9 1 1 A 34 34 VAL HA H 34 3.873 3.747 0.126 1 1 337 . 9 1 1 A 34 34 VAL CB C 34 31.153 31.282 -0.129 1 1 347 . 9 1 1 A 34 34 VAL C C 34 177.213 178.090 -0.877 1 1 348 . 9 1 1 A 35 35 HIS N N 35 117.143 120.061 -2.918 1 1 349 . 9 1 1 A 35 35 HIS H H 35 7.182 7.654 -0.472 1 1 350 . 9 1 1 A 35 35 HIS CA C 35 55.134 58.905 -3.771 1 1 351 . 9 1 1 A 35 35 HIS HA H 35 4.836 4.356 0.480 1 1 352 . 9 1 1 A 35 35 HIS CB C 35 28.697 29.768 -1.071 1 1 359 . 9 1 1 A 35 35 HIS C C 35 175.649 176.101 -0.452 1 1 360 . 9 1 1 A 36 36 THR N N 36 112.212 113.280 -1.068 1 1 361 . 9 1 1 A 36 36 THR H H 36 7.779 7.344 0.435 1 1 362 . 9 1 1 A 36 36 THR CA C 36 62.601 64.926 -2.325 1 1 363 . 9 1 1 A 36 36 THR HA H 36 4.335 3.995 0.340 1 1 364 . 9 1 1 A 36 36 THR CB C 36 69.772 68.711 1.061 1 1 370 . 9 1 1 A 36 36 THR C C 36 175.505 175.315 0.190 1 1 371 . 9 1 1 A 37 37 GLY N N 37 110.726 113.110 -2.384 1 1 372 . 9 1 1 A 37 37 GLY H H 37 8.300 8.606 -0.306 1 1 373 . 9 1 1 A 37 37 GLY CA C 37 45.440 44.781 0.659 1 1 374 . 9 1 1 A 37 37 GLY HA2 H 37 4.009 4.189 -0.180 1 1 375 . 9 1 1 A 37 37 GLY HA3 H 37 3.935 4.192 -0.257 1 1 376 . 9 1 1 A 37 37 GLY C C 37 174.308 174.764 -0.456 1 1 377 . 9 1 1 A 38 38 GLU N N 38 120.764 120.535 0.229 1 1 378 . 9 1 1 A 38 38 GLU H H 38 8.144 8.914 -0.770 1 1 379 . 9 1 1 A 38 38 GLU CA C 38 56.738 58.524 -1.786 1 1 380 . 9 1 1 A 38 38 GLU HA H 38 4.240 4.403 -0.163 1 1 381 . 9 1 1 A 38 38 GLU CB C 38 30.407 30.602 -0.195 1 1 387 . 9 1 1 A 38 38 GLU C C 38 176.615 178.523 -1.908 1 1 388 . 9 1 1 A 39 39 ARG N N 39 121.903 119.553 2.350 1 1 389 . 9 1 1 A 39 39 ARG H H 39 8.401 8.260 0.141 1 1 390 . 9 1 1 A 39 39 ARG CA C 39 56.022 58.870 -2.848 1 1 391 . 9 1 1 A 39 39 ARG HA H 39 4.372 4.170 0.202 1 1 392 . 9 1 1 A 39 39 ARG CB C 39 30.822 29.862 0.960 1 1 401 . 9 1 1 A 39 39 ARG C C 39 176.458 176.430 0.028 1 1 402 . 9 1 1 A 42 42 GLY CA C 42 44.688 47.370 -2.682 1 1 403 . 9 1 1 A 42 42 GLY HA2 H 42 4.120 3.738 0.382 1 1 404 . 9 1 1 A 42 42 GLY HA3 H 42 4.120 3.742 0.378 1 1 405 . 9 1 1 A 43 43 PRO CA C 43 63.243 62.598 0.645 1 1 406 . 9 1 1 A 43 43 PRO HA H 43 4.464 4.643 -0.179 1 1 407 . 9 1 1 A 43 43 PRO CB C 43 32.210 33.041 -0.831 1 1 1 . 10 1 1 A 9 9 GLY CA C 9 45.463 45.423 0.040 1 1 2 . 10 1 1 A 9 9 GLY HA2 H 9 4.008 3.971 0.037 1 1 3 . 10 1 1 A 9 9 GLY HA3 H 9 3.922 3.972 -0.050 1 1 4 . 10 1 1 A 9 9 GLY C C 9 173.883 172.836 1.047 1 1 5 . 10 1 1 A 10 10 LYS N N 10 120.890 125.146 -4.256 1 1 6 . 10 1 1 A 10 10 LYS H H 10 8.081 8.761 -0.680 1 1 7 . 10 1 1 A 10 10 LYS CA C 10 56.099 54.773 1.326 1 1 8 . 10 1 1 A 10 10 LYS HA H 10 4.257 4.884 -0.627 1 1 9 . 10 1 1 A 10 10 LYS CB C 10 33.091 34.924 -1.833 1 1 21 . 10 1 1 A 10 10 LYS C C 10 176.341 175.746 0.595 1 1 22 . 10 1 1 A 11 11 LYS N N 11 124.299 122.874 1.425 1 1 23 . 10 1 1 A 11 11 LYS H H 11 8.318 8.213 0.105 1 1 24 . 10 1 1 A 11 11 LYS CA C 11 54.092 53.132 0.960 1 1 25 . 10 1 1 A 11 11 LYS HA H 11 4.516 4.740 -0.224 1 1 26 . 10 1 1 A 11 11 LYS CB C 11 32.429 34.375 -1.946 1 1 38 . 10 1 1 A 11 11 LYS C C 11 174.559 176.136 -1.577 1 1 39 . 10 1 1 A 12 12 PRO CA C 12 63.174 65.820 -2.646 1 1 40 . 10 1 1 A 12 12 PRO HA H 12 4.307 4.312 -0.005 1 1 41 . 10 1 1 A 12 12 PRO CB C 12 32.305 31.436 0.869 1 1 50 . 10 1 1 A 12 12 PRO C C 12 176.285 175.621 0.664 1 1 51 . 10 1 1 A 13 13 TYR N N 13 118.529 117.010 1.519 1 1 52 . 10 1 1 A 13 13 TYR H H 13 8.139 7.833 0.306 1 1 53 . 10 1 1 A 13 13 TYR CA C 13 57.904 56.554 1.350 1 1 54 . 10 1 1 A 13 13 TYR HA H 13 4.593 5.338 -0.745 1 1 55 . 10 1 1 A 13 13 TYR CB C 13 39.336 42.460 -3.124 1 1 66 . 10 1 1 A 13 13 TYR C C 13 174.790 174.638 0.152 1 1 67 . 10 1 1 A 14 14 GLU N N 14 123.238 118.442 4.796 1 1 68 . 10 1 1 A 14 14 GLU H H 14 8.698 9.215 -0.517 1 1 69 . 10 1 1 A 14 14 GLU CA C 14 54.739 55.167 -0.428 1 1 70 . 10 1 1 A 14 14 GLU HA H 14 4.934 5.180 -0.246 1 1 71 . 10 1 1 A 14 14 GLU CB C 14 33.864 33.370 0.494 1 1 77 . 10 1 1 A 14 14 GLU C C 14 175.146 174.647 0.499 1 1 78 . 10 1 1 A 15 15 CYS N N 15 126.999 123.858 3.141 1 1 79 . 10 1 1 A 15 15 CYS H H 15 9.003 9.126 -0.123 1 1 80 . 10 1 1 A 15 15 CYS CA C 15 59.138 59.294 -0.156 1 1 81 . 10 1 1 A 15 15 CYS HA H 15 4.566 4.750 -0.184 1 1 82 . 10 1 1 A 15 15 CYS CB C 15 29.682 28.983 0.699 1 1 85 . 10 1 1 A 15 15 CYS C C 15 176.861 174.664 2.197 1 1 86 . 10 1 1 A 16 16 LYS CA C 16 58.521 56.812 1.709 1 1 87 . 10 1 1 A 16 16 LYS HA H 16 4.134 4.531 -0.397 1 1 88 . 10 1 1 A 16 16 LYS CB C 16 32.265 33.719 -1.454 1 1 100 . 10 1 1 A 16 16 LYS C C 16 176.983 177.703 -0.720 1 1 101 . 10 1 1 A 17 17 GLU N N 17 119.122 119.825 -0.703 1 1 102 . 10 1 1 A 17 17 GLU H H 17 8.546 7.923 0.623 1 1 103 . 10 1 1 A 17 17 GLU CA C 17 58.320 58.842 -0.522 1 1 104 . 10 1 1 A 17 17 GLU HA H 17 4.177 4.128 0.049 1 1 105 . 10 1 1 A 17 17 GLU CB C 17 29.439 29.824 -0.385 1 1 111 . 10 1 1 A 17 17 GLU C C 17 177.215 178.939 -1.724 1 1 112 . 10 1 1 A 18 18 CYS N N 18 115.644 117.051 -1.407 1 1 113 . 10 1 1 A 18 18 CYS H H 18 7.939 7.831 0.108 1 1 114 . 10 1 1 A 18 18 CYS CA C 18 58.632 59.807 -1.175 1 1 115 . 10 1 1 A 18 18 CYS HA H 18 5.062 4.434 0.628 1 1 116 . 10 1 1 A 18 18 CYS CB C 18 31.808 28.492 3.316 1 1 119 . 10 1 1 A 18 18 CYS C C 18 175.151 174.569 0.582 1 1 120 . 10 1 1 A 19 19 ARG N N 19 116.788 116.724 0.064 1 1 121 . 10 1 1 A 19 19 ARG H H 19 8.171 7.904 0.267 1 1 122 . 10 1 1 A 19 19 ARG CA C 19 57.860 57.047 0.813 1 1 123 . 10 1 1 A 19 19 ARG HA H 19 4.148 3.875 0.273 1 1 124 . 10 1 1 A 19 19 ARG CB C 19 26.487 27.239 -0.752 1 1 133 . 10 1 1 A 19 19 ARG C C 19 175.492 174.356 1.136 1 1 134 . 10 1 1 A 20 20 LYS N N 20 121.616 118.688 2.928 1 1 135 . 10 1 1 A 20 20 LYS H H 20 7.920 7.863 0.057 1 1 136 . 10 1 1 A 20 20 LYS CA C 20 58.019 54.861 3.158 1 1 137 . 10 1 1 A 20 20 LYS HA H 20 4.152 4.691 -0.539 1 1 138 . 10 1 1 A 20 20 LYS CB C 20 34.130 34.642 -0.512 1 1 150 . 10 1 1 A 20 20 LYS C C 20 175.066 175.981 -0.915 1 1 151 . 10 1 1 A 21 21 THR N N 21 110.534 115.555 -5.021 1 1 152 . 10 1 1 A 21 21 THR H H 21 7.580 8.177 -0.597 1 1 153 . 10 1 1 A 21 21 THR CA C 21 59.360 60.227 -0.867 1 1 154 . 10 1 1 A 21 21 THR HA H 21 5.208 5.229 -0.021 1 1 155 . 10 1 1 A 21 21 THR CB C 21 71.608 71.001 0.607 1 1 161 . 10 1 1 A 21 21 THR C C 21 173.627 173.276 0.351 1 1 162 . 10 1 1 A 22 22 PHE N N 22 116.966 118.173 -1.207 1 1 163 . 10 1 1 A 22 22 PHE H H 22 8.725 8.740 -0.015 1 1 164 . 10 1 1 A 22 22 PHE CA C 22 57.114 56.437 0.677 1 1 165 . 10 1 1 A 22 22 PHE HA H 22 4.819 4.849 -0.030 1 1 166 . 10 1 1 A 22 22 PHE CB C 22 44.195 42.237 1.958 1 1 179 . 10 1 1 A 22 22 PHE C C 22 175.176 175.775 -0.599 1 1 180 . 10 1 1 A 23 23 ILE N N 23 119.763 124.939 -5.176 1 1 181 . 10 1 1 A 23 23 ILE H H 23 9.199 8.591 0.608 1 1 182 . 10 1 1 A 23 23 ILE CA C 23 62.706 65.084 -2.378 1 1 183 . 10 1 1 A 23 23 ILE HA H 23 4.309 3.941 0.368 1 1 184 . 10 1 1 A 23 23 ILE CB C 23 38.932 37.856 1.076 1 1 197 . 10 1 1 A 23 23 ILE C C 23 176.059 176.427 -0.368 1 1 198 . 10 1 1 A 24 24 GLN N N 24 115.642 119.929 -4.287 1 1 199 . 10 1 1 A 24 24 GLN H H 24 7.544 7.987 -0.443 1 1 200 . 10 1 1 A 24 24 GLN CA C 24 53.942 55.113 -1.171 1 1 201 . 10 1 1 A 24 24 GLN HA H 24 4.801 4.744 0.057 1 1 202 . 10 1 1 A 24 24 GLN CB C 24 30.876 30.324 0.552 1 1 211 . 10 1 1 A 24 24 GLN C C 24 177.011 175.987 1.024 1 1 212 . 10 1 1 A 25 25 ILE N N 25 126.235 126.902 -0.667 1 1 213 . 10 1 1 A 25 25 ILE H H 25 8.690 8.863 -0.173 1 1 214 . 10 1 1 A 25 25 ILE CA C 25 63.136 64.604 -1.468 1 1 215 . 10 1 1 A 25 25 ILE HA H 25 3.186 3.669 -0.483 1 1 216 . 10 1 1 A 25 25 ILE CB C 25 37.472 37.635 -0.163 1 1 229 . 10 1 1 A 25 25 ILE C C 25 176.863 177.560 -0.697 1 1 230 . 10 1 1 A 26 26 GLY N N 26 109.568 109.836 -0.268 1 1 231 . 10 1 1 A 26 26 GLY H H 26 8.595 8.217 0.378 1 1 232 . 10 1 1 A 26 26 GLY CA C 26 46.804 47.365 -0.561 1 1 233 . 10 1 1 A 26 26 GLY HA2 H 26 3.837 3.725 0.112 1 1 234 . 10 1 1 A 26 26 GLY HA3 H 26 3.780 3.761 0.019 1 1 235 . 10 1 1 A 26 26 GLY C C 26 176.792 175.791 1.001 1 1 236 . 10 1 1 A 27 27 HIS N N 27 119.048 121.788 -2.740 1 1 237 . 10 1 1 A 27 27 HIS H H 27 6.921 8.114 -1.193 1 1 238 . 10 1 1 A 27 27 HIS CA C 27 57.080 59.251 -2.171 1 1 239 . 10 1 1 A 27 27 HIS HA H 27 4.482 4.036 0.446 1 1 240 . 10 1 1 A 27 27 HIS CB C 27 31.775 29.790 1.985 1 1 247 . 10 1 1 A 27 27 HIS C C 27 178.571 176.298 2.273 1 1 248 . 10 1 1 A 28 28 LEU N N 28 122.327 120.275 2.052 1 1 249 . 10 1 1 A 28 28 LEU H H 28 6.954 7.378 -0.424 1 1 250 . 10 1 1 A 28 28 LEU CA C 28 57.735 57.516 0.219 1 1 251 . 10 1 1 A 28 28 LEU HA H 28 3.018 3.179 -0.161 1 1 252 . 10 1 1 A 28 28 LEU CB C 28 40.149 41.348 -1.199 1 1 265 . 10 1 1 A 28 28 LEU C C 28 177.665 178.288 -0.623 1 1 266 . 10 1 1 A 29 29 ASN N N 29 117.755 116.252 1.503 1 1 267 . 10 1 1 A 29 29 ASN H H 29 8.452 8.687 -0.235 1 1 268 . 10 1 1 A 29 29 ASN CA C 29 56.110 56.270 -0.160 1 1 269 . 10 1 1 A 29 29 ASN HA H 29 4.287 4.271 0.016 1 1 270 . 10 1 1 A 29 29 ASN CB C 29 37.160 37.695 -0.535 1 1 276 . 10 1 1 A 29 29 ASN C C 29 178.326 177.442 0.884 1 1 277 . 10 1 1 A 30 30 GLN N N 30 118.797 119.672 -0.875 1 1 278 . 10 1 1 A 30 30 GLN H H 30 7.759 7.513 0.246 1 1 279 . 10 1 1 A 30 30 GLN CA C 30 58.546 58.493 0.053 1 1 280 . 10 1 1 A 30 30 GLN HA H 30 4.030 3.978 0.052 1 1 281 . 10 1 1 A 30 30 GLN CB C 30 28.693 28.484 0.209 1 1 290 . 10 1 1 A 30 30 GLN C C 30 178.121 178.073 0.048 1 1 291 . 10 1 1 A 31 31 HIS N N 31 119.702 119.855 -0.153 1 1 292 . 10 1 1 A 31 31 HIS H H 31 7.664 7.992 -0.328 1 1 293 . 10 1 1 A 31 31 HIS CA C 31 58.885 59.681 -0.796 1 1 294 . 10 1 1 A 31 31 HIS HA H 31 4.215 3.938 0.277 1 1 295 . 10 1 1 A 31 31 HIS CB C 31 28.494 29.951 -1.457 1 1 302 . 10 1 1 A 31 31 HIS C C 31 176.042 176.616 -0.574 1 1 303 . 10 1 1 A 32 32 LYS N N 32 115.824 118.404 -2.580 1 1 304 . 10 1 1 A 32 32 LYS H H 32 8.088 7.988 0.100 1 1 305 . 10 1 1 A 32 32 LYS CA C 32 60.123 58.871 1.252 1 1 306 . 10 1 1 A 32 32 LYS HA H 32 3.698 4.118 -0.420 1 1 307 . 10 1 1 A 32 32 LYS CB C 32 32.401 32.473 -0.072 1 1 319 . 10 1 1 A 32 32 LYS C C 32 177.823 179.464 -1.641 1 1 320 . 10 1 1 A 33 33 ARG N N 33 116.801 119.778 -2.977 1 1 321 . 10 1 1 A 33 33 ARG H H 33 7.063 7.930 -0.867 1 1 322 . 10 1 1 A 33 33 ARG CA C 33 58.202 59.327 -1.125 1 1 323 . 10 1 1 A 33 33 ARG HA H 33 4.133 4.038 0.095 1 1 324 . 10 1 1 A 33 33 ARG CB C 33 29.942 30.738 -0.796 1 1 332 . 10 1 1 A 33 33 ARG C C 33 178.364 179.314 -0.950 1 1 333 . 10 1 1 A 34 34 VAL N N 34 116.485 119.811 -3.326 1 1 334 . 10 1 1 A 34 34 VAL H H 34 7.933 8.004 -0.071 1 1 335 . 10 1 1 A 34 34 VAL CA C 34 63.948 64.406 -0.458 1 1 336 . 10 1 1 A 34 34 VAL HA H 34 3.873 3.716 0.157 1 1 337 . 10 1 1 A 34 34 VAL CB C 34 31.153 31.274 -0.121 1 1 347 . 10 1 1 A 34 34 VAL C C 34 177.213 177.086 0.127 1 1 348 . 10 1 1 A 35 35 HIS N N 35 117.143 118.025 -0.882 1 1 349 . 10 1 1 A 35 35 HIS H H 35 7.182 7.593 -0.411 1 1 350 . 10 1 1 A 35 35 HIS CA C 35 55.134 54.559 0.575 1 1 351 . 10 1 1 A 35 35 HIS HA H 35 4.836 4.611 0.225 1 1 352 . 10 1 1 A 35 35 HIS CB C 35 28.697 27.752 0.945 1 1 359 . 10 1 1 A 35 35 HIS C C 35 175.649 173.948 1.701 1 1 360 . 10 1 1 A 36 36 THR N N 36 112.212 114.890 -2.678 1 1 361 . 10 1 1 A 36 36 THR H H 36 7.779 8.164 -0.385 1 1 362 . 10 1 1 A 36 36 THR CA C 36 62.601 59.937 2.664 1 1 363 . 10 1 1 A 36 36 THR HA H 36 4.335 4.805 -0.470 1 1 364 . 10 1 1 A 36 36 THR CB C 36 69.772 72.012 -2.240 1 1 370 . 10 1 1 A 36 36 THR C C 36 175.505 174.529 0.976 1 1 371 . 10 1 1 A 37 37 GLY N N 37 110.726 117.583 -6.857 1 1 372 . 10 1 1 A 37 37 GLY H H 37 8.300 8.603 -0.303 1 1 373 . 10 1 1 A 37 37 GLY CA C 37 45.440 45.941 -0.501 1 1 374 . 10 1 1 A 37 37 GLY HA2 H 37 4.009 3.938 0.071 1 1 375 . 10 1 1 A 37 37 GLY HA3 H 37 3.935 3.939 -0.004 1 1 376 . 10 1 1 A 37 37 GLY C C 37 174.308 175.382 -1.074 1 1 377 . 10 1 1 A 38 38 GLU N N 38 120.764 124.039 -3.275 1 1 378 . 10 1 1 A 38 38 GLU H H 38 8.144 8.228 -0.084 1 1 379 . 10 1 1 A 38 38 GLU CA C 38 56.738 60.042 -3.304 1 1 380 . 10 1 1 A 38 38 GLU HA H 38 4.240 4.056 0.184 1 1 381 . 10 1 1 A 38 38 GLU CB C 38 30.407 29.547 0.860 1 1 387 . 10 1 1 A 38 38 GLU C C 38 176.615 177.288 -0.673 1 1 388 . 10 1 1 A 39 39 ARG N N 39 121.903 120.336 1.567 1 1 389 . 10 1 1 A 39 39 ARG H H 39 8.401 7.784 0.617 1 1 390 . 10 1 1 A 39 39 ARG CA C 39 56.022 55.601 0.421 1 1 391 . 10 1 1 A 39 39 ARG HA H 39 4.372 4.445 -0.073 1 1 392 . 10 1 1 A 39 39 ARG CB C 39 30.822 30.612 0.210 1 1 401 . 10 1 1 A 39 39 ARG C C 39 176.458 176.002 0.456 1 1 402 . 10 1 1 A 42 42 GLY CA C 42 44.688 46.240 -1.552 1 1 403 . 10 1 1 A 42 42 GLY HA2 H 42 4.120 4.566 -0.446 1 1 404 . 10 1 1 A 42 42 GLY HA3 H 42 4.120 4.573 -0.453 1 1 405 . 10 1 1 A 43 43 PRO CA C 43 63.243 63.876 -0.633 1 1 406 . 10 1 1 A 43 43 PRO HA H 43 4.464 4.512 -0.048 1 1 407 . 10 1 1 A 43 43 PRO CB C 43 32.210 31.661 0.549 1 1 1 . 11 1 1 A 9 9 GLY CA C 9 45.463 45.947 -0.484 1 1 2 . 11 1 1 A 9 9 GLY HA2 H 9 4.008 4.097 -0.089 1 1 3 . 11 1 1 A 9 9 GLY HA3 H 9 3.922 4.098 -0.176 1 1 4 . 11 1 1 A 9 9 GLY C C 9 173.883 174.852 -0.969 1 1 5 . 11 1 1 A 10 10 LYS N N 10 120.890 120.628 0.262 1 1 6 . 11 1 1 A 10 10 LYS H H 10 8.081 8.089 -0.008 1 1 7 . 11 1 1 A 10 10 LYS CA C 10 56.099 56.023 0.076 1 1 8 . 11 1 1 A 10 10 LYS HA H 10 4.257 4.369 -0.112 1 1 9 . 11 1 1 A 10 10 LYS CB C 10 33.091 31.666 1.425 1 1 21 . 11 1 1 A 10 10 LYS C C 10 176.341 175.919 0.422 1 1 22 . 11 1 1 A 11 11 LYS N N 11 124.299 121.262 3.037 1 1 23 . 11 1 1 A 11 11 LYS H H 11 8.318 7.864 0.454 1 1 24 . 11 1 1 A 11 11 LYS CA C 11 54.092 54.716 -0.624 1 1 25 . 11 1 1 A 11 11 LYS HA H 11 4.516 4.777 -0.261 1 1 26 . 11 1 1 A 11 11 LYS CB C 11 32.429 34.953 -2.524 1 1 38 . 11 1 1 A 11 11 LYS C C 11 174.559 175.548 -0.989 1 1 39 . 11 1 1 A 12 12 PRO CA C 12 63.174 65.807 -2.633 1 1 40 . 11 1 1 A 12 12 PRO HA H 12 4.307 4.274 0.033 1 1 41 . 11 1 1 A 12 12 PRO CB C 12 32.305 31.421 0.884 1 1 50 . 11 1 1 A 12 12 PRO C C 12 176.285 175.789 0.496 1 1 51 . 11 1 1 A 13 13 TYR N N 13 118.529 117.520 1.009 1 1 52 . 11 1 1 A 13 13 TYR H H 13 8.139 7.929 0.210 1 1 53 . 11 1 1 A 13 13 TYR CA C 13 57.904 56.924 0.980 1 1 54 . 11 1 1 A 13 13 TYR HA H 13 4.593 5.121 -0.528 1 1 55 . 11 1 1 A 13 13 TYR CB C 13 39.336 42.208 -2.872 1 1 66 . 11 1 1 A 13 13 TYR C C 13 174.790 175.300 -0.510 1 1 67 . 11 1 1 A 14 14 GLU N N 14 123.238 119.205 4.033 1 1 68 . 11 1 1 A 14 14 GLU H H 14 8.698 9.029 -0.331 1 1 69 . 11 1 1 A 14 14 GLU CA C 14 54.739 55.230 -0.491 1 1 70 . 11 1 1 A 14 14 GLU HA H 14 4.934 5.098 -0.164 1 1 71 . 11 1 1 A 14 14 GLU CB C 14 33.864 32.796 1.068 1 1 77 . 11 1 1 A 14 14 GLU C C 14 175.146 175.461 -0.315 1 1 78 . 11 1 1 A 15 15 CYS N N 15 126.999 124.700 2.299 1 1 79 . 11 1 1 A 15 15 CYS H H 15 9.003 9.002 0.001 1 1 80 . 11 1 1 A 15 15 CYS CA C 15 59.138 59.265 -0.127 1 1 81 . 11 1 1 A 15 15 CYS HA H 15 4.566 4.646 -0.080 1 1 82 . 11 1 1 A 15 15 CYS CB C 15 29.682 28.679 1.003 1 1 85 . 11 1 1 A 15 15 CYS C C 15 176.861 174.977 1.884 1 1 86 . 11 1 1 A 16 16 LYS CA C 16 58.521 56.489 2.032 1 1 87 . 11 1 1 A 16 16 LYS HA H 16 4.134 4.504 -0.370 1 1 88 . 11 1 1 A 16 16 LYS CB C 16 32.265 33.531 -1.266 1 1 100 . 11 1 1 A 16 16 LYS C C 16 176.983 176.842 0.141 1 1 101 . 11 1 1 A 17 17 GLU N N 17 119.122 117.634 1.488 1 1 102 . 11 1 1 A 17 17 GLU H H 17 8.546 7.982 0.564 1 1 103 . 11 1 1 A 17 17 GLU CA C 17 58.320 58.319 0.001 1 1 104 . 11 1 1 A 17 17 GLU HA H 17 4.177 4.333 -0.156 1 1 105 . 11 1 1 A 17 17 GLU CB C 17 29.439 30.105 -0.666 1 1 111 . 11 1 1 A 17 17 GLU C C 17 177.215 178.454 -1.239 1 1 112 . 11 1 1 A 18 18 CYS N N 18 115.644 117.144 -1.500 1 1 113 . 11 1 1 A 18 18 CYS H H 18 7.939 8.052 -0.113 1 1 114 . 11 1 1 A 18 18 CYS CA C 18 58.632 59.123 -0.491 1 1 115 . 11 1 1 A 18 18 CYS HA H 18 5.062 4.525 0.537 1 1 116 . 11 1 1 A 18 18 CYS CB C 18 31.808 28.242 3.566 1 1 119 . 11 1 1 A 18 18 CYS C C 18 175.151 174.604 0.547 1 1 120 . 11 1 1 A 19 19 ARG N N 19 116.788 116.501 0.287 1 1 121 . 11 1 1 A 19 19 ARG H H 19 8.171 7.923 0.248 1 1 122 . 11 1 1 A 19 19 ARG CA C 19 57.860 57.124 0.736 1 1 123 . 11 1 1 A 19 19 ARG HA H 19 4.148 4.069 0.079 1 1 124 . 11 1 1 A 19 19 ARG CB C 19 26.487 27.058 -0.571 1 1 133 . 11 1 1 A 19 19 ARG C C 19 175.492 174.910 0.582 1 1 134 . 11 1 1 A 20 20 LYS N N 20 121.616 118.175 3.441 1 1 135 . 11 1 1 A 20 20 LYS H H 20 7.920 7.991 -0.071 1 1 136 . 11 1 1 A 20 20 LYS CA C 20 58.019 55.574 2.445 1 1 137 . 11 1 1 A 20 20 LYS HA H 20 4.152 4.532 -0.380 1 1 138 . 11 1 1 A 20 20 LYS CB C 20 34.130 33.383 0.747 1 1 150 . 11 1 1 A 20 20 LYS C C 20 175.066 177.126 -2.060 1 1 151 . 11 1 1 A 21 21 THR N N 21 110.534 114.277 -3.743 1 1 152 . 11 1 1 A 21 21 THR H H 21 7.580 8.357 -0.777 1 1 153 . 11 1 1 A 21 21 THR CA C 21 59.360 60.633 -1.273 1 1 154 . 11 1 1 A 21 21 THR HA H 21 5.208 5.385 -0.177 1 1 155 . 11 1 1 A 21 21 THR CB C 21 71.608 71.314 0.294 1 1 161 . 11 1 1 A 21 21 THR C C 21 173.627 173.678 -0.051 1 1 162 . 11 1 1 A 22 22 PHE N N 22 116.966 118.417 -1.451 1 1 163 . 11 1 1 A 22 22 PHE H H 22 8.725 8.927 -0.202 1 1 164 . 11 1 1 A 22 22 PHE CA C 22 57.114 56.434 0.680 1 1 165 . 11 1 1 A 22 22 PHE HA H 22 4.819 5.008 -0.189 1 1 166 . 11 1 1 A 22 22 PHE CB C 22 44.195 42.292 1.903 1 1 179 . 11 1 1 A 22 22 PHE C C 22 175.176 175.954 -0.778 1 1 180 . 11 1 1 A 23 23 ILE N N 23 119.763 124.403 -4.640 1 1 181 . 11 1 1 A 23 23 ILE H H 23 9.199 8.507 0.692 1 1 182 . 11 1 1 A 23 23 ILE CA C 23 62.706 65.067 -2.361 1 1 183 . 11 1 1 A 23 23 ILE HA H 23 4.309 3.900 0.409 1 1 184 . 11 1 1 A 23 23 ILE CB C 23 38.932 37.921 1.011 1 1 197 . 11 1 1 A 23 23 ILE C C 23 176.059 176.451 -0.392 1 1 198 . 11 1 1 A 24 24 GLN N N 24 115.642 119.457 -3.815 1 1 199 . 11 1 1 A 24 24 GLN H H 24 7.544 8.154 -0.610 1 1 200 . 11 1 1 A 24 24 GLN CA C 24 53.942 54.147 -0.205 1 1 201 . 11 1 1 A 24 24 GLN HA H 24 4.801 4.894 -0.093 1 1 202 . 11 1 1 A 24 24 GLN CB C 24 30.876 31.588 -0.712 1 1 211 . 11 1 1 A 24 24 GLN C C 24 177.011 176.194 0.817 1 1 212 . 11 1 1 A 25 25 ILE N N 25 126.235 125.399 0.836 1 1 213 . 11 1 1 A 25 25 ILE H H 25 8.690 8.924 -0.234 1 1 214 . 11 1 1 A 25 25 ILE CA C 25 63.136 64.271 -1.135 1 1 215 . 11 1 1 A 25 25 ILE HA H 25 3.186 3.638 -0.452 1 1 216 . 11 1 1 A 25 25 ILE CB C 25 37.472 37.665 -0.193 1 1 229 . 11 1 1 A 25 25 ILE C C 25 176.863 177.965 -1.102 1 1 230 . 11 1 1 A 26 26 GLY N N 26 109.568 109.740 -0.172 1 1 231 . 11 1 1 A 26 26 GLY H H 26 8.595 8.297 0.298 1 1 232 . 11 1 1 A 26 26 GLY CA C 26 46.804 47.324 -0.520 1 1 233 . 11 1 1 A 26 26 GLY HA2 H 26 3.837 3.702 0.135 1 1 234 . 11 1 1 A 26 26 GLY HA3 H 26 3.780 3.722 0.058 1 1 235 . 11 1 1 A 26 26 GLY C C 26 176.792 176.323 0.469 1 1 236 . 11 1 1 A 27 27 HIS N N 27 119.048 120.079 -1.031 1 1 237 . 11 1 1 A 27 27 HIS H H 27 6.921 7.843 -0.922 1 1 238 . 11 1 1 A 27 27 HIS CA C 27 57.080 58.545 -1.465 1 1 239 . 11 1 1 A 27 27 HIS HA H 27 4.482 4.490 -0.008 1 1 240 . 11 1 1 A 27 27 HIS CB C 27 31.775 30.164 1.611 1 1 247 . 11 1 1 A 27 27 HIS C C 27 178.571 177.587 0.984 1 1 248 . 11 1 1 A 28 28 LEU N N 28 122.327 120.775 1.552 1 1 249 . 11 1 1 A 28 28 LEU H H 28 6.954 7.946 -0.992 1 1 250 . 11 1 1 A 28 28 LEU CA C 28 57.735 57.562 0.173 1 1 251 . 11 1 1 A 28 28 LEU HA H 28 3.018 2.924 0.094 1 1 252 . 11 1 1 A 28 28 LEU CB C 28 40.149 41.049 -0.900 1 1 265 . 11 1 1 A 28 28 LEU C C 28 177.665 178.815 -1.150 1 1 266 . 11 1 1 A 29 29 ASN N N 29 117.755 116.545 1.210 1 1 267 . 11 1 1 A 29 29 ASN H H 29 8.452 8.250 0.202 1 1 268 . 11 1 1 A 29 29 ASN CA C 29 56.110 56.151 -0.041 1 1 269 . 11 1 1 A 29 29 ASN HA H 29 4.287 4.369 -0.082 1 1 270 . 11 1 1 A 29 29 ASN CB C 29 37.160 37.787 -0.627 1 1 276 . 11 1 1 A 29 29 ASN C C 29 178.326 177.763 0.563 1 1 277 . 11 1 1 A 30 30 GLN N N 30 118.797 118.879 -0.082 1 1 278 . 11 1 1 A 30 30 GLN H H 30 7.759 7.487 0.272 1 1 279 . 11 1 1 A 30 30 GLN CA C 30 58.546 57.396 1.150 1 1 280 . 11 1 1 A 30 30 GLN HA H 30 4.030 4.182 -0.152 1 1 281 . 11 1 1 A 30 30 GLN CB C 30 28.693 28.778 -0.085 1 1 290 . 11 1 1 A 30 30 GLN C C 30 178.121 178.003 0.118 1 1 291 . 11 1 1 A 31 31 HIS N N 31 119.702 122.002 -2.300 1 1 292 . 11 1 1 A 31 31 HIS H H 31 7.664 7.948 -0.284 1 1 293 . 11 1 1 A 31 31 HIS CA C 31 58.885 59.286 -0.401 1 1 294 . 11 1 1 A 31 31 HIS HA H 31 4.215 4.244 -0.029 1 1 295 . 11 1 1 A 31 31 HIS CB C 31 28.494 29.785 -1.291 1 1 302 . 11 1 1 A 31 31 HIS C C 31 176.042 177.301 -1.259 1 1 303 . 11 1 1 A 32 32 LYS N N 32 115.824 117.757 -1.933 1 1 304 . 11 1 1 A 32 32 LYS H H 32 8.088 8.444 -0.356 1 1 305 . 11 1 1 A 32 32 LYS CA C 32 60.123 58.398 1.725 1 1 306 . 11 1 1 A 32 32 LYS HA H 32 3.698 4.050 -0.352 1 1 307 . 11 1 1 A 32 32 LYS CB C 32 32.401 31.332 1.069 1 1 319 . 11 1 1 A 32 32 LYS C C 32 177.823 178.621 -0.798 1 1 320 . 11 1 1 A 33 33 ARG N N 33 116.801 118.681 -1.880 1 1 321 . 11 1 1 A 33 33 ARG H H 33 7.063 8.002 -0.939 1 1 322 . 11 1 1 A 33 33 ARG CA C 33 58.202 59.322 -1.120 1 1 323 . 11 1 1 A 33 33 ARG HA H 33 4.133 3.996 0.137 1 1 324 . 11 1 1 A 33 33 ARG CB C 33 29.942 30.569 -0.627 1 1 332 . 11 1 1 A 33 33 ARG C C 33 178.364 178.837 -0.473 1 1 333 . 11 1 1 A 34 34 VAL N N 34 116.485 116.390 0.095 1 1 334 . 11 1 1 A 34 34 VAL H H 34 7.933 7.828 0.105 1 1 335 . 11 1 1 A 34 34 VAL CA C 34 63.948 65.216 -1.268 1 1 336 . 11 1 1 A 34 34 VAL HA H 34 3.873 3.715 0.158 1 1 337 . 11 1 1 A 34 34 VAL CB C 34 31.153 31.296 -0.143 1 1 347 . 11 1 1 A 34 34 VAL C C 34 177.213 178.075 -0.862 1 1 348 . 11 1 1 A 35 35 HIS N N 35 117.143 119.979 -2.836 1 1 349 . 11 1 1 A 35 35 HIS H H 35 7.182 7.380 -0.198 1 1 350 . 11 1 1 A 35 35 HIS CA C 35 55.134 59.656 -4.522 1 1 351 . 11 1 1 A 35 35 HIS HA H 35 4.836 4.307 0.529 1 1 352 . 11 1 1 A 35 35 HIS CB C 35 28.697 30.613 -1.916 1 1 359 . 11 1 1 A 35 35 HIS C C 35 175.649 176.251 -0.602 1 1 360 . 11 1 1 A 36 36 THR N N 36 112.212 111.403 0.809 1 1 361 . 11 1 1 A 36 36 THR H H 36 7.779 7.754 0.025 1 1 362 . 11 1 1 A 36 36 THR CA C 36 62.601 61.500 1.101 1 1 363 . 11 1 1 A 36 36 THR HA H 36 4.335 4.279 0.056 1 1 364 . 11 1 1 A 36 36 THR CB C 36 69.772 68.502 1.270 1 1 370 . 11 1 1 A 36 36 THR C C 36 175.505 175.098 0.407 1 1 371 . 11 1 1 A 37 37 GLY N N 37 110.726 109.613 1.113 1 1 372 . 11 1 1 A 37 37 GLY H H 37 8.300 8.191 0.109 1 1 373 . 11 1 1 A 37 37 GLY CA C 37 45.440 45.586 -0.146 1 1 374 . 11 1 1 A 37 37 GLY HA2 H 37 4.009 4.137 -0.128 1 1 375 . 11 1 1 A 37 37 GLY HA3 H 37 3.935 4.142 -0.207 1 1 376 . 11 1 1 A 37 37 GLY C C 37 174.308 174.359 -0.051 1 1 377 . 11 1 1 A 38 38 GLU N N 38 120.764 117.742 3.022 1 1 378 . 11 1 1 A 38 38 GLU H H 38 8.144 8.248 -0.104 1 1 379 . 11 1 1 A 38 38 GLU CA C 38 56.738 57.519 -0.781 1 1 380 . 11 1 1 A 38 38 GLU HA H 38 4.240 3.984 0.256 1 1 381 . 11 1 1 A 38 38 GLU CB C 38 30.407 28.674 1.733 1 1 387 . 11 1 1 A 38 38 GLU C C 38 176.615 176.242 0.373 1 1 388 . 11 1 1 A 39 39 ARG N N 39 121.903 119.415 2.488 1 1 389 . 11 1 1 A 39 39 ARG H H 39 8.401 7.950 0.451 1 1 390 . 11 1 1 A 39 39 ARG CA C 39 56.022 55.102 0.920 1 1 391 . 11 1 1 A 39 39 ARG HA H 39 4.372 4.551 -0.179 1 1 392 . 11 1 1 A 39 39 ARG CB C 39 30.822 30.414 0.408 1 1 401 . 11 1 1 A 39 39 ARG C C 39 176.458 175.568 0.890 1 1 402 . 11 1 1 A 42 42 GLY CA C 42 44.688 43.874 0.814 1 1 403 . 11 1 1 A 42 42 GLY HA2 H 42 4.120 4.166 -0.046 1 1 404 . 11 1 1 A 42 42 GLY HA3 H 42 4.120 4.166 -0.046 1 1 405 . 11 1 1 A 43 43 PRO CA C 43 63.243 63.678 -0.435 1 1 406 . 11 1 1 A 43 43 PRO HA H 43 4.464 4.527 -0.063 1 1 407 . 11 1 1 A 43 43 PRO CB C 43 32.210 32.127 0.083 1 1 1 . 12 1 1 A 9 9 GLY CA C 9 45.463 45.540 -0.077 1 1 2 . 12 1 1 A 9 9 GLY HA2 H 9 4.008 4.047 -0.039 1 1 3 . 12 1 1 A 9 9 GLY HA3 H 9 3.922 4.047 -0.125 1 1 4 . 12 1 1 A 9 9 GLY C C 9 173.883 173.475 0.408 1 1 5 . 12 1 1 A 10 10 LYS N N 10 120.890 123.071 -2.181 1 1 6 . 12 1 1 A 10 10 LYS H H 10 8.081 8.548 -0.467 1 1 7 . 12 1 1 A 10 10 LYS CA C 10 56.099 55.239 0.860 1 1 8 . 12 1 1 A 10 10 LYS HA H 10 4.257 4.461 -0.204 1 1 9 . 12 1 1 A 10 10 LYS CB C 10 33.091 30.735 2.356 1 1 21 . 12 1 1 A 10 10 LYS C C 10 176.341 175.604 0.737 1 1 22 . 12 1 1 A 11 11 LYS N N 11 124.299 119.655 4.644 1 1 23 . 12 1 1 A 11 11 LYS H H 11 8.318 7.179 1.139 1 1 24 . 12 1 1 A 11 11 LYS CA C 11 54.092 55.492 -1.400 1 1 25 . 12 1 1 A 11 11 LYS HA H 11 4.516 4.459 0.057 1 1 26 . 12 1 1 A 11 11 LYS CB C 11 32.429 32.605 -0.176 1 1 38 . 12 1 1 A 11 11 LYS C C 11 174.559 176.577 -2.018 1 1 39 . 12 1 1 A 12 12 PRO CA C 12 63.174 65.972 -2.798 1 1 40 . 12 1 1 A 12 12 PRO HA H 12 4.307 4.439 -0.132 1 1 41 . 12 1 1 A 12 12 PRO CB C 12 32.305 31.630 0.675 1 1 50 . 12 1 1 A 12 12 PRO C C 12 176.285 175.991 0.294 1 1 51 . 12 1 1 A 13 13 TYR N N 13 118.529 117.064 1.465 1 1 52 . 12 1 1 A 13 13 TYR H H 13 8.139 8.015 0.124 1 1 53 . 12 1 1 A 13 13 TYR CA C 13 57.904 56.726 1.178 1 1 54 . 12 1 1 A 13 13 TYR HA H 13 4.593 5.149 -0.556 1 1 55 . 12 1 1 A 13 13 TYR CB C 13 39.336 42.549 -3.213 1 1 66 . 12 1 1 A 13 13 TYR C C 13 174.790 174.769 0.021 1 1 67 . 12 1 1 A 14 14 GLU N N 14 123.238 120.158 3.080 1 1 68 . 12 1 1 A 14 14 GLU H H 14 8.698 8.914 -0.216 1 1 69 . 12 1 1 A 14 14 GLU CA C 14 54.739 55.756 -1.017 1 1 70 . 12 1 1 A 14 14 GLU HA H 14 4.934 4.861 0.073 1 1 71 . 12 1 1 A 14 14 GLU CB C 14 33.864 33.725 0.139 1 1 77 . 12 1 1 A 14 14 GLU C C 14 175.146 174.579 0.567 1 1 78 . 12 1 1 A 15 15 CYS N N 15 126.999 125.326 1.673 1 1 79 . 12 1 1 A 15 15 CYS H H 15 9.003 9.186 -0.183 1 1 80 . 12 1 1 A 15 15 CYS CA C 15 59.138 59.056 0.082 1 1 81 . 12 1 1 A 15 15 CYS HA H 15 4.566 4.731 -0.165 1 1 82 . 12 1 1 A 15 15 CYS CB C 15 29.682 29.481 0.201 1 1 85 . 12 1 1 A 15 15 CYS C C 15 176.861 174.694 2.167 1 1 86 . 12 1 1 A 16 16 LYS CA C 16 58.521 56.746 1.775 1 1 87 . 12 1 1 A 16 16 LYS HA H 16 4.134 4.568 -0.434 1 1 88 . 12 1 1 A 16 16 LYS CB C 16 32.265 34.437 -2.172 1 1 100 . 12 1 1 A 16 16 LYS C C 16 176.983 177.517 -0.534 1 1 101 . 12 1 1 A 17 17 GLU N N 17 119.122 119.603 -0.481 1 1 102 . 12 1 1 A 17 17 GLU H H 17 8.546 7.877 0.669 1 1 103 . 12 1 1 A 17 17 GLU CA C 17 58.320 58.662 -0.342 1 1 104 . 12 1 1 A 17 17 GLU HA H 17 4.177 4.120 0.057 1 1 105 . 12 1 1 A 17 17 GLU CB C 17 29.439 29.788 -0.349 1 1 111 . 12 1 1 A 17 17 GLU C C 17 177.215 178.927 -1.712 1 1 112 . 12 1 1 A 18 18 CYS N N 18 115.644 117.119 -1.475 1 1 113 . 12 1 1 A 18 18 CYS H H 18 7.939 7.831 0.108 1 1 114 . 12 1 1 A 18 18 CYS CA C 18 58.632 59.886 -1.254 1 1 115 . 12 1 1 A 18 18 CYS HA H 18 5.062 4.492 0.570 1 1 116 . 12 1 1 A 18 18 CYS CB C 18 31.808 28.408 3.400 1 1 119 . 12 1 1 A 18 18 CYS C C 18 175.151 174.538 0.613 1 1 120 . 12 1 1 A 19 19 ARG N N 19 116.788 116.726 0.062 1 1 121 . 12 1 1 A 19 19 ARG H H 19 8.171 7.934 0.237 1 1 122 . 12 1 1 A 19 19 ARG CA C 19 57.860 56.985 0.875 1 1 123 . 12 1 1 A 19 19 ARG HA H 19 4.148 3.878 0.270 1 1 124 . 12 1 1 A 19 19 ARG CB C 19 26.487 27.433 -0.946 1 1 133 . 12 1 1 A 19 19 ARG C C 19 175.492 174.456 1.036 1 1 134 . 12 1 1 A 20 20 LYS N N 20 121.616 118.700 2.916 1 1 135 . 12 1 1 A 20 20 LYS H H 20 7.920 7.890 0.030 1 1 136 . 12 1 1 A 20 20 LYS CA C 20 58.019 54.689 3.330 1 1 137 . 12 1 1 A 20 20 LYS HA H 20 4.152 4.751 -0.599 1 1 138 . 12 1 1 A 20 20 LYS CB C 20 34.130 35.352 -1.222 1 1 150 . 12 1 1 A 20 20 LYS C C 20 175.066 176.265 -1.199 1 1 151 . 12 1 1 A 21 21 THR N N 21 110.534 114.479 -3.945 1 1 152 . 12 1 1 A 21 21 THR H H 21 7.580 8.299 -0.719 1 1 153 . 12 1 1 A 21 21 THR CA C 21 59.360 60.115 -0.755 1 1 154 . 12 1 1 A 21 21 THR HA H 21 5.208 5.287 -0.079 1 1 155 . 12 1 1 A 21 21 THR CB C 21 71.608 71.437 0.171 1 1 161 . 12 1 1 A 21 21 THR C C 21 173.627 173.563 0.064 1 1 162 . 12 1 1 A 22 22 PHE N N 22 116.966 118.140 -1.174 1 1 163 . 12 1 1 A 22 22 PHE H H 22 8.725 8.803 -0.078 1 1 164 . 12 1 1 A 22 22 PHE CA C 22 57.114 56.367 0.747 1 1 165 . 12 1 1 A 22 22 PHE HA H 22 4.819 4.955 -0.136 1 1 166 . 12 1 1 A 22 22 PHE CB C 22 44.195 41.507 2.688 1 1 179 . 12 1 1 A 22 22 PHE C C 22 175.176 175.902 -0.726 1 1 180 . 12 1 1 A 23 23 ILE N N 23 119.763 125.310 -5.547 1 1 181 . 12 1 1 A 23 23 ILE H H 23 9.199 8.757 0.442 1 1 182 . 12 1 1 A 23 23 ILE CA C 23 62.706 65.376 -2.670 1 1 183 . 12 1 1 A 23 23 ILE HA H 23 4.309 3.864 0.445 1 1 184 . 12 1 1 A 23 23 ILE CB C 23 38.932 38.169 0.763 1 1 197 . 12 1 1 A 23 23 ILE C C 23 176.059 176.609 -0.550 1 1 198 . 12 1 1 A 24 24 GLN N N 24 115.642 119.558 -3.916 1 1 199 . 12 1 1 A 24 24 GLN H H 24 7.544 8.313 -0.769 1 1 200 . 12 1 1 A 24 24 GLN CA C 24 53.942 54.068 -0.126 1 1 201 . 12 1 1 A 24 24 GLN HA H 24 4.801 4.813 -0.012 1 1 202 . 12 1 1 A 24 24 GLN CB C 24 30.876 31.410 -0.534 1 1 211 . 12 1 1 A 24 24 GLN C C 24 177.011 175.849 1.162 1 1 212 . 12 1 1 A 25 25 ILE N N 25 126.235 125.705 0.530 1 1 213 . 12 1 1 A 25 25 ILE H H 25 8.690 8.797 -0.107 1 1 214 . 12 1 1 A 25 25 ILE CA C 25 63.136 64.344 -1.208 1 1 215 . 12 1 1 A 25 25 ILE HA H 25 3.186 3.358 -0.172 1 1 216 . 12 1 1 A 25 25 ILE CB C 25 37.472 37.484 -0.012 1 1 229 . 12 1 1 A 25 25 ILE C C 25 176.863 177.760 -0.897 1 1 230 . 12 1 1 A 26 26 GLY N N 26 109.568 109.105 0.463 1 1 231 . 12 1 1 A 26 26 GLY H H 26 8.595 8.373 0.222 1 1 232 . 12 1 1 A 26 26 GLY CA C 26 46.804 47.259 -0.455 1 1 233 . 12 1 1 A 26 26 GLY HA2 H 26 3.837 3.749 0.088 1 1 234 . 12 1 1 A 26 26 GLY HA3 H 26 3.780 3.786 -0.006 1 1 235 . 12 1 1 A 26 26 GLY C C 26 176.792 176.045 0.747 1 1 236 . 12 1 1 A 27 27 HIS N N 27 119.048 121.734 -2.686 1 1 237 . 12 1 1 A 27 27 HIS H H 27 6.921 8.099 -1.178 1 1 238 . 12 1 1 A 27 27 HIS CA C 27 57.080 59.495 -2.415 1 1 239 . 12 1 1 A 27 27 HIS HA H 27 4.482 4.109 0.373 1 1 240 . 12 1 1 A 27 27 HIS CB C 27 31.775 29.872 1.903 1 1 247 . 12 1 1 A 27 27 HIS C C 27 178.571 176.936 1.635 1 1 248 . 12 1 1 A 28 28 LEU N N 28 122.327 120.136 2.191 1 1 249 . 12 1 1 A 28 28 LEU H H 28 6.954 8.031 -1.077 1 1 250 . 12 1 1 A 28 28 LEU CA C 28 57.735 56.655 1.080 1 1 251 . 12 1 1 A 28 28 LEU HA H 28 3.018 2.827 0.191 1 1 252 . 12 1 1 A 28 28 LEU CB C 28 40.149 41.658 -1.509 1 1 265 . 12 1 1 A 28 28 LEU C C 28 177.665 178.375 -0.710 1 1 266 . 12 1 1 A 29 29 ASN N N 29 117.755 115.858 1.897 1 1 267 . 12 1 1 A 29 29 ASN H H 29 8.452 8.619 -0.167 1 1 268 . 12 1 1 A 29 29 ASN CA C 29 56.110 56.392 -0.282 1 1 269 . 12 1 1 A 29 29 ASN HA H 29 4.287 4.273 0.014 1 1 270 . 12 1 1 A 29 29 ASN CB C 29 37.160 37.718 -0.558 1 1 276 . 12 1 1 A 29 29 ASN C C 29 178.326 177.686 0.640 1 1 277 . 12 1 1 A 30 30 GLN N N 30 118.797 119.640 -0.843 1 1 278 . 12 1 1 A 30 30 GLN H H 30 7.759 7.643 0.116 1 1 279 . 12 1 1 A 30 30 GLN CA C 30 58.546 58.397 0.149 1 1 280 . 12 1 1 A 30 30 GLN HA H 30 4.030 4.032 -0.002 1 1 281 . 12 1 1 A 30 30 GLN CB C 30 28.693 28.517 0.176 1 1 290 . 12 1 1 A 30 30 GLN C C 30 178.121 177.969 0.152 1 1 291 . 12 1 1 A 31 31 HIS N N 31 119.702 120.157 -0.455 1 1 292 . 12 1 1 A 31 31 HIS H H 31 7.664 7.752 -0.088 1 1 293 . 12 1 1 A 31 31 HIS CA C 31 58.885 59.470 -0.585 1 1 294 . 12 1 1 A 31 31 HIS HA H 31 4.215 4.011 0.204 1 1 295 . 12 1 1 A 31 31 HIS CB C 31 28.494 30.062 -1.568 1 1 302 . 12 1 1 A 31 31 HIS C C 31 176.042 176.121 -0.079 1 1 303 . 12 1 1 A 32 32 LYS N N 32 115.824 117.420 -1.596 1 1 304 . 12 1 1 A 32 32 LYS H H 32 8.088 7.739 0.349 1 1 305 . 12 1 1 A 32 32 LYS CA C 32 60.123 56.902 3.221 1 1 306 . 12 1 1 A 32 32 LYS HA H 32 3.698 4.183 -0.485 1 1 307 . 12 1 1 A 32 32 LYS CB C 32 32.401 32.019 0.382 1 1 319 . 12 1 1 A 32 32 LYS C C 32 177.823 177.820 0.003 1 1 320 . 12 1 1 A 33 33 ARG N N 33 116.801 119.856 -3.055 1 1 321 . 12 1 1 A 33 33 ARG H H 33 7.063 8.836 -1.773 1 1 322 . 12 1 1 A 33 33 ARG CA C 33 58.202 58.450 -0.248 1 1 323 . 12 1 1 A 33 33 ARG HA H 33 4.133 4.138 -0.005 1 1 324 . 12 1 1 A 33 33 ARG CB C 33 29.942 30.313 -0.371 1 1 332 . 12 1 1 A 33 33 ARG C C 33 178.364 178.100 0.264 1 1 333 . 12 1 1 A 34 34 VAL N N 34 116.485 116.052 0.433 1 1 334 . 12 1 1 A 34 34 VAL H H 34 7.933 7.642 0.291 1 1 335 . 12 1 1 A 34 34 VAL CA C 34 63.948 65.503 -1.555 1 1 336 . 12 1 1 A 34 34 VAL HA H 34 3.873 3.794 0.079 1 1 337 . 12 1 1 A 34 34 VAL CB C 34 31.153 31.311 -0.158 1 1 347 . 12 1 1 A 34 34 VAL C C 34 177.213 178.118 -0.905 1 1 348 . 12 1 1 A 35 35 HIS N N 35 117.143 119.648 -2.505 1 1 349 . 12 1 1 A 35 35 HIS H H 35 7.182 7.468 -0.286 1 1 350 . 12 1 1 A 35 35 HIS CA C 35 55.134 59.274 -4.140 1 1 351 . 12 1 1 A 35 35 HIS HA H 35 4.836 4.322 0.514 1 1 352 . 12 1 1 A 35 35 HIS CB C 35 28.697 29.933 -1.236 1 1 359 . 12 1 1 A 35 35 HIS C C 35 175.649 175.774 -0.125 1 1 360 . 12 1 1 A 36 36 THR N N 36 112.212 112.737 -0.525 1 1 361 . 12 1 1 A 36 36 THR H H 36 7.779 7.699 0.080 1 1 362 . 12 1 1 A 36 36 THR CA C 36 62.601 63.853 -1.252 1 1 363 . 12 1 1 A 36 36 THR HA H 36 4.335 4.237 0.098 1 1 364 . 12 1 1 A 36 36 THR CB C 36 69.772 68.379 1.393 1 1 370 . 12 1 1 A 36 36 THR C C 36 175.505 175.086 0.419 1 1 371 . 12 1 1 A 37 37 GLY N N 37 110.726 113.943 -3.217 1 1 372 . 12 1 1 A 37 37 GLY H H 37 8.300 8.461 -0.161 1 1 373 . 12 1 1 A 37 37 GLY CA C 37 45.440 45.459 -0.019 1 1 374 . 12 1 1 A 37 37 GLY HA2 H 37 4.009 4.198 -0.189 1 1 375 . 12 1 1 A 37 37 GLY HA3 H 37 3.935 4.199 -0.264 1 1 376 . 12 1 1 A 37 37 GLY C C 37 174.308 173.122 1.186 1 1 377 . 12 1 1 A 38 38 GLU N N 38 120.764 121.604 -0.840 1 1 378 . 12 1 1 A 38 38 GLU H H 38 8.144 8.426 -0.282 1 1 379 . 12 1 1 A 38 38 GLU CA C 38 56.738 55.365 1.373 1 1 380 . 12 1 1 A 38 38 GLU HA H 38 4.240 4.651 -0.411 1 1 381 . 12 1 1 A 38 38 GLU CB C 38 30.407 33.711 -3.304 1 1 387 . 12 1 1 A 38 38 GLU C C 38 176.615 174.287 2.328 1 1 388 . 12 1 1 A 39 39 ARG N N 39 121.903 126.476 -4.573 1 1 389 . 12 1 1 A 39 39 ARG H H 39 8.401 8.472 -0.071 1 1 390 . 12 1 1 A 39 39 ARG CA C 39 56.022 57.167 -1.145 1 1 391 . 12 1 1 A 39 39 ARG HA H 39 4.372 4.269 0.103 1 1 392 . 12 1 1 A 39 39 ARG CB C 39 30.822 30.957 -0.135 1 1 401 . 12 1 1 A 39 39 ARG C C 39 176.458 175.672 0.786 1 1 402 . 12 1 1 A 42 42 GLY CA C 42 44.688 44.230 0.458 1 1 403 . 12 1 1 A 42 42 GLY HA2 H 42 4.120 4.134 -0.014 1 1 404 . 12 1 1 A 42 42 GLY HA3 H 42 4.120 4.134 -0.014 1 1 405 . 12 1 1 A 43 43 PRO CA C 43 63.243 62.486 0.757 1 1 406 . 12 1 1 A 43 43 PRO HA H 43 4.464 4.552 -0.088 1 1 407 . 12 1 1 A 43 43 PRO CB C 43 32.210 33.047 -0.837 1 1 1 . 13 1 1 A 9 9 GLY CA C 9 45.463 44.489 0.974 1 1 2 . 13 1 1 A 9 9 GLY HA2 H 9 4.008 4.078 -0.070 1 1 3 . 13 1 1 A 9 9 GLY HA3 H 9 3.922 4.080 -0.158 1 1 4 . 13 1 1 A 9 9 GLY C C 9 173.883 173.619 0.264 1 1 5 . 13 1 1 A 10 10 LYS N N 10 120.890 123.261 -2.371 1 1 6 . 13 1 1 A 10 10 LYS H H 10 8.081 8.383 -0.302 1 1 7 . 13 1 1 A 10 10 LYS CA C 10 56.099 55.239 0.860 1 1 8 . 13 1 1 A 10 10 LYS HA H 10 4.257 4.405 -0.148 1 1 9 . 13 1 1 A 10 10 LYS CB C 10 33.091 31.925 1.166 1 1 21 . 13 1 1 A 10 10 LYS C C 10 176.341 174.971 1.370 1 1 22 . 13 1 1 A 11 11 LYS N N 11 124.299 121.519 2.780 1 1 23 . 13 1 1 A 11 11 LYS H H 11 8.318 7.361 0.957 1 1 24 . 13 1 1 A 11 11 LYS CA C 11 54.092 53.237 0.855 1 1 25 . 13 1 1 A 11 11 LYS HA H 11 4.516 4.766 -0.250 1 1 26 . 13 1 1 A 11 11 LYS CB C 11 32.429 33.725 -1.296 1 1 38 . 13 1 1 A 11 11 LYS C C 11 174.559 176.230 -1.671 1 1 39 . 13 1 1 A 12 12 PRO CA C 12 63.174 65.839 -2.665 1 1 40 . 13 1 1 A 12 12 PRO HA H 12 4.307 4.292 0.015 1 1 41 . 13 1 1 A 12 12 PRO CB C 12 32.305 31.440 0.865 1 1 50 . 13 1 1 A 12 12 PRO C C 12 176.285 175.807 0.478 1 1 51 . 13 1 1 A 13 13 TYR N N 13 118.529 117.493 1.036 1 1 52 . 13 1 1 A 13 13 TYR H H 13 8.139 7.948 0.191 1 1 53 . 13 1 1 A 13 13 TYR CA C 13 57.904 56.794 1.110 1 1 54 . 13 1 1 A 13 13 TYR HA H 13 4.593 5.121 -0.528 1 1 55 . 13 1 1 A 13 13 TYR CB C 13 39.336 42.419 -3.083 1 1 66 . 13 1 1 A 13 13 TYR C C 13 174.790 174.947 -0.157 1 1 67 . 13 1 1 A 14 14 GLU N N 14 123.238 120.286 2.952 1 1 68 . 13 1 1 A 14 14 GLU H H 14 8.698 8.959 -0.261 1 1 69 . 13 1 1 A 14 14 GLU CA C 14 54.739 55.937 -1.198 1 1 70 . 13 1 1 A 14 14 GLU HA H 14 4.934 4.945 -0.011 1 1 71 . 13 1 1 A 14 14 GLU CB C 14 33.864 32.749 1.115 1 1 77 . 13 1 1 A 14 14 GLU C C 14 175.146 174.874 0.272 1 1 78 . 13 1 1 A 15 15 CYS N N 15 126.999 126.038 0.961 1 1 79 . 13 1 1 A 15 15 CYS H H 15 9.003 9.382 -0.379 1 1 80 . 13 1 1 A 15 15 CYS CA C 15 59.138 59.328 -0.190 1 1 81 . 13 1 1 A 15 15 CYS HA H 15 4.566 4.603 -0.037 1 1 82 . 13 1 1 A 15 15 CYS CB C 15 29.682 28.821 0.861 1 1 85 . 13 1 1 A 15 15 CYS C C 15 176.861 174.904 1.957 1 1 86 . 13 1 1 A 16 16 LYS CA C 16 58.521 56.638 1.883 1 1 87 . 13 1 1 A 16 16 LYS HA H 16 4.134 4.466 -0.332 1 1 88 . 13 1 1 A 16 16 LYS CB C 16 32.265 33.655 -1.390 1 1 100 . 13 1 1 A 16 16 LYS C C 16 176.983 177.856 -0.873 1 1 101 . 13 1 1 A 17 17 GLU N N 17 119.122 119.432 -0.310 1 1 102 . 13 1 1 A 17 17 GLU H H 17 8.546 7.978 0.568 1 1 103 . 13 1 1 A 17 17 GLU CA C 17 58.320 58.655 -0.335 1 1 104 . 13 1 1 A 17 17 GLU HA H 17 4.177 4.151 0.026 1 1 105 . 13 1 1 A 17 17 GLU CB C 17 29.439 29.730 -0.291 1 1 111 . 13 1 1 A 17 17 GLU C C 17 177.215 178.881 -1.666 1 1 112 . 13 1 1 A 18 18 CYS N N 18 115.644 117.389 -1.745 1 1 113 . 13 1 1 A 18 18 CYS H H 18 7.939 7.966 -0.027 1 1 114 . 13 1 1 A 18 18 CYS CA C 18 58.632 59.651 -1.019 1 1 115 . 13 1 1 A 18 18 CYS HA H 18 5.062 4.490 0.572 1 1 116 . 13 1 1 A 18 18 CYS CB C 18 31.808 28.277 3.531 1 1 119 . 13 1 1 A 18 18 CYS C C 18 175.151 174.523 0.628 1 1 120 . 13 1 1 A 19 19 ARG N N 19 116.788 116.742 0.046 1 1 121 . 13 1 1 A 19 19 ARG H H 19 8.171 7.976 0.195 1 1 122 . 13 1 1 A 19 19 ARG CA C 19 57.860 56.989 0.871 1 1 123 . 13 1 1 A 19 19 ARG HA H 19 4.148 3.914 0.234 1 1 124 . 13 1 1 A 19 19 ARG CB C 19 26.487 27.369 -0.882 1 1 133 . 13 1 1 A 19 19 ARG C C 19 175.492 174.411 1.081 1 1 134 . 13 1 1 A 20 20 LYS N N 20 121.616 118.784 2.832 1 1 135 . 13 1 1 A 20 20 LYS H H 20 7.920 7.965 -0.045 1 1 136 . 13 1 1 A 20 20 LYS CA C 20 58.019 55.468 2.551 1 1 137 . 13 1 1 A 20 20 LYS HA H 20 4.152 4.809 -0.657 1 1 138 . 13 1 1 A 20 20 LYS CB C 20 34.130 34.550 -0.420 1 1 150 . 13 1 1 A 20 20 LYS C C 20 175.066 176.406 -1.340 1 1 151 . 13 1 1 A 21 21 THR N N 21 110.534 114.986 -4.452 1 1 152 . 13 1 1 A 21 21 THR H H 21 7.580 8.413 -0.833 1 1 153 . 13 1 1 A 21 21 THR CA C 21 59.360 60.384 -1.024 1 1 154 . 13 1 1 A 21 21 THR HA H 21 5.208 5.458 -0.250 1 1 155 . 13 1 1 A 21 21 THR CB C 21 71.608 71.195 0.413 1 1 161 . 13 1 1 A 21 21 THR C C 21 173.627 173.774 -0.147 1 1 162 . 13 1 1 A 22 22 PHE N N 22 116.966 118.430 -1.464 1 1 163 . 13 1 1 A 22 22 PHE H H 22 8.725 8.968 -0.243 1 1 164 . 13 1 1 A 22 22 PHE CA C 22 57.114 56.477 0.637 1 1 165 . 13 1 1 A 22 22 PHE HA H 22 4.819 4.996 -0.177 1 1 166 . 13 1 1 A 22 22 PHE CB C 22 44.195 41.126 3.069 1 1 179 . 13 1 1 A 22 22 PHE C C 22 175.176 175.957 -0.781 1 1 180 . 13 1 1 A 23 23 ILE N N 23 119.763 125.718 -5.955 1 1 181 . 13 1 1 A 23 23 ILE H H 23 9.199 8.724 0.475 1 1 182 . 13 1 1 A 23 23 ILE CA C 23 62.706 65.173 -2.467 1 1 183 . 13 1 1 A 23 23 ILE HA H 23 4.309 3.742 0.567 1 1 184 . 13 1 1 A 23 23 ILE CB C 23 38.932 38.026 0.906 1 1 197 . 13 1 1 A 23 23 ILE C C 23 176.059 176.371 -0.312 1 1 198 . 13 1 1 A 24 24 GLN N N 24 115.642 118.859 -3.217 1 1 199 . 13 1 1 A 24 24 GLN H H 24 7.544 8.006 -0.462 1 1 200 . 13 1 1 A 24 24 GLN CA C 24 53.942 53.963 -0.021 1 1 201 . 13 1 1 A 24 24 GLN HA H 24 4.801 4.791 0.010 1 1 202 . 13 1 1 A 24 24 GLN CB C 24 30.876 31.146 -0.270 1 1 211 . 13 1 1 A 24 24 GLN C C 24 177.011 176.298 0.713 1 1 212 . 13 1 1 A 25 25 ILE N N 25 126.235 125.090 1.145 1 1 213 . 13 1 1 A 25 25 ILE H H 25 8.690 8.642 0.048 1 1 214 . 13 1 1 A 25 25 ILE CA C 25 63.136 63.646 -0.510 1 1 215 . 13 1 1 A 25 25 ILE HA H 25 3.186 3.549 -0.363 1 1 216 . 13 1 1 A 25 25 ILE CB C 25 37.472 38.529 -1.057 1 1 229 . 13 1 1 A 25 25 ILE C C 25 176.863 178.075 -1.212 1 1 230 . 13 1 1 A 26 26 GLY N N 26 109.568 109.618 -0.050 1 1 231 . 13 1 1 A 26 26 GLY H H 26 8.595 8.276 0.319 1 1 232 . 13 1 1 A 26 26 GLY CA C 26 46.804 47.423 -0.619 1 1 233 . 13 1 1 A 26 26 GLY HA2 H 26 3.837 3.696 0.141 1 1 234 . 13 1 1 A 26 26 GLY HA3 H 26 3.780 3.772 0.008 1 1 235 . 13 1 1 A 26 26 GLY C C 26 176.792 176.660 0.132 1 1 236 . 13 1 1 A 27 27 HIS N N 27 119.048 120.194 -1.146 1 1 237 . 13 1 1 A 27 27 HIS H H 27 6.921 8.149 -1.228 1 1 238 . 13 1 1 A 27 27 HIS CA C 27 57.080 58.415 -1.335 1 1 239 . 13 1 1 A 27 27 HIS HA H 27 4.482 4.666 -0.184 1 1 240 . 13 1 1 A 27 27 HIS CB C 27 31.775 30.321 1.454 1 1 247 . 13 1 1 A 27 27 HIS C C 27 178.571 178.379 0.192 1 1 248 . 13 1 1 A 28 28 LEU N N 28 122.327 120.748 1.579 1 1 249 . 13 1 1 A 28 28 LEU H H 28 6.954 7.910 -0.956 1 1 250 . 13 1 1 A 28 28 LEU CA C 28 57.735 56.919 0.816 1 1 251 . 13 1 1 A 28 28 LEU HA H 28 3.018 3.027 -0.009 1 1 252 . 13 1 1 A 28 28 LEU CB C 28 40.149 41.550 -1.401 1 1 265 . 13 1 1 A 28 28 LEU C C 28 177.665 178.282 -0.617 1 1 266 . 13 1 1 A 29 29 ASN N N 29 117.755 115.944 1.811 1 1 267 . 13 1 1 A 29 29 ASN H H 29 8.452 8.676 -0.224 1 1 268 . 13 1 1 A 29 29 ASN CA C 29 56.110 56.297 -0.187 1 1 269 . 13 1 1 A 29 29 ASN HA H 29 4.287 4.256 0.031 1 1 270 . 13 1 1 A 29 29 ASN CB C 29 37.160 37.890 -0.730 1 1 276 . 13 1 1 A 29 29 ASN C C 29 178.326 177.487 0.839 1 1 277 . 13 1 1 A 30 30 GLN N N 30 118.797 119.318 -0.521 1 1 278 . 13 1 1 A 30 30 GLN H H 30 7.759 7.492 0.267 1 1 279 . 13 1 1 A 30 30 GLN CA C 30 58.546 58.659 -0.113 1 1 280 . 13 1 1 A 30 30 GLN HA H 30 4.030 4.005 0.025 1 1 281 . 13 1 1 A 30 30 GLN CB C 30 28.693 28.443 0.250 1 1 290 . 13 1 1 A 30 30 GLN C C 30 178.121 178.002 0.119 1 1 291 . 13 1 1 A 31 31 HIS N N 31 119.702 119.805 -0.103 1 1 292 . 13 1 1 A 31 31 HIS H H 31 7.664 7.706 -0.042 1 1 293 . 13 1 1 A 31 31 HIS CA C 31 58.885 60.123 -1.238 1 1 294 . 13 1 1 A 31 31 HIS HA H 31 4.215 4.182 0.033 1 1 295 . 13 1 1 A 31 31 HIS CB C 31 28.494 30.120 -1.626 1 1 302 . 13 1 1 A 31 31 HIS C C 31 176.042 176.613 -0.571 1 1 303 . 13 1 1 A 32 32 LYS N N 32 115.824 117.730 -1.906 1 1 304 . 13 1 1 A 32 32 LYS H H 32 8.088 8.370 -0.282 1 1 305 . 13 1 1 A 32 32 LYS CA C 32 60.123 58.892 1.231 1 1 306 . 13 1 1 A 32 32 LYS HA H 32 3.698 4.054 -0.356 1 1 307 . 13 1 1 A 32 32 LYS CB C 32 32.401 32.075 0.326 1 1 319 . 13 1 1 A 32 32 LYS C C 32 177.823 178.344 -0.521 1 1 320 . 13 1 1 A 33 33 ARG N N 33 116.801 119.497 -2.696 1 1 321 . 13 1 1 A 33 33 ARG H H 33 7.063 7.776 -0.713 1 1 322 . 13 1 1 A 33 33 ARG CA C 33 58.202 59.394 -1.192 1 1 323 . 13 1 1 A 33 33 ARG HA H 33 4.133 4.010 0.123 1 1 324 . 13 1 1 A 33 33 ARG CB C 33 29.942 30.562 -0.620 1 1 332 . 13 1 1 A 33 33 ARG C C 33 178.364 178.483 -0.119 1 1 333 . 13 1 1 A 34 34 VAL N N 34 116.485 120.385 -3.900 1 1 334 . 13 1 1 A 34 34 VAL H H 34 7.933 7.953 -0.020 1 1 335 . 13 1 1 A 34 34 VAL CA C 34 63.948 66.268 -2.320 1 1 336 . 13 1 1 A 34 34 VAL HA H 34 3.873 3.553 0.320 1 1 337 . 13 1 1 A 34 34 VAL CB C 34 31.153 31.415 -0.262 1 1 347 . 13 1 1 A 34 34 VAL C C 34 177.213 177.934 -0.721 1 1 348 . 13 1 1 A 35 35 HIS N N 35 117.143 118.302 -1.159 1 1 349 . 13 1 1 A 35 35 HIS H H 35 7.182 7.811 -0.629 1 1 350 . 13 1 1 A 35 35 HIS CA C 35 55.134 58.974 -3.840 1 1 351 . 13 1 1 A 35 35 HIS HA H 35 4.836 4.107 0.729 1 1 352 . 13 1 1 A 35 35 HIS CB C 35 28.697 29.988 -1.291 1 1 359 . 13 1 1 A 35 35 HIS C C 35 175.649 177.462 -1.813 1 1 360 . 13 1 1 A 36 36 THR N N 36 112.212 114.216 -2.004 1 1 361 . 13 1 1 A 36 36 THR H H 36 7.779 8.159 -0.380 1 1 362 . 13 1 1 A 36 36 THR CA C 36 62.601 66.464 -3.863 1 1 363 . 13 1 1 A 36 36 THR HA H 36 4.335 3.811 0.524 1 1 364 . 13 1 1 A 36 36 THR CB C 36 69.772 68.269 1.503 1 1 370 . 13 1 1 A 36 36 THR C C 36 175.505 176.967 -1.462 1 1 371 . 13 1 1 A 37 37 GLY N N 37 110.726 108.233 2.493 1 1 372 . 13 1 1 A 37 37 GLY H H 37 8.300 7.812 0.488 1 1 373 . 13 1 1 A 37 37 GLY CA C 37 45.440 44.510 0.930 1 1 374 . 13 1 1 A 37 37 GLY HA2 H 37 4.009 4.050 -0.041 1 1 375 . 13 1 1 A 37 37 GLY HA3 H 37 3.935 4.058 -0.123 1 1 376 . 13 1 1 A 37 37 GLY C C 37 174.308 174.527 -0.219 1 1 377 . 13 1 1 A 38 38 GLU N N 38 120.764 121.445 -0.681 1 1 378 . 13 1 1 A 38 38 GLU H H 38 8.144 8.837 -0.693 1 1 379 . 13 1 1 A 38 38 GLU CA C 38 56.738 57.258 -0.520 1 1 380 . 13 1 1 A 38 38 GLU HA H 38 4.240 4.024 0.216 1 1 381 . 13 1 1 A 38 38 GLU CB C 38 30.407 28.578 1.829 1 1 387 . 13 1 1 A 38 38 GLU C C 38 176.615 176.934 -0.319 1 1 388 . 13 1 1 A 39 39 ARG N N 39 121.903 122.560 -0.657 1 1 389 . 13 1 1 A 39 39 ARG H H 39 8.401 7.908 0.493 1 1 390 . 13 1 1 A 39 39 ARG CA C 39 56.022 59.292 -3.270 1 1 391 . 13 1 1 A 39 39 ARG HA H 39 4.372 3.992 0.380 1 1 392 . 13 1 1 A 39 39 ARG CB C 39 30.822 30.179 0.643 1 1 401 . 13 1 1 A 39 39 ARG C C 39 176.458 175.825 0.633 1 1 402 . 13 1 1 A 42 42 GLY CA C 42 44.688 46.965 -2.277 1 1 403 . 13 1 1 A 42 42 GLY HA2 H 42 4.120 3.900 0.220 1 1 404 . 13 1 1 A 42 42 GLY HA3 H 42 4.120 3.902 0.218 1 1 405 . 13 1 1 A 43 43 PRO CA C 43 63.243 64.669 -1.426 1 1 406 . 13 1 1 A 43 43 PRO HA H 43 4.464 4.479 -0.015 1 1 407 . 13 1 1 A 43 43 PRO CB C 43 32.210 32.093 0.117 1 1 1 . 14 1 1 A 9 9 GLY CA C 9 45.463 45.890 -0.427 1 1 2 . 14 1 1 A 9 9 GLY HA2 H 9 4.008 4.164 -0.156 1 1 3 . 14 1 1 A 9 9 GLY HA3 H 9 3.922 4.169 -0.247 1 1 4 . 14 1 1 A 9 9 GLY C C 9 173.883 173.152 0.731 1 1 5 . 14 1 1 A 10 10 LYS N N 10 120.890 117.685 3.205 1 1 6 . 14 1 1 A 10 10 LYS H H 10 8.081 8.370 -0.289 1 1 7 . 14 1 1 A 10 10 LYS CA C 10 56.099 55.485 0.614 1 1 8 . 14 1 1 A 10 10 LYS HA H 10 4.257 4.644 -0.387 1 1 9 . 14 1 1 A 10 10 LYS CB C 10 33.091 32.621 0.470 1 1 21 . 14 1 1 A 10 10 LYS C C 10 176.341 175.517 0.824 1 1 22 . 14 1 1 A 11 11 LYS N N 11 124.299 116.279 8.020 1 1 23 . 14 1 1 A 11 11 LYS H H 11 8.318 7.464 0.854 1 1 24 . 14 1 1 A 11 11 LYS CA C 11 54.092 54.386 -0.294 1 1 25 . 14 1 1 A 11 11 LYS HA H 11 4.516 4.858 -0.342 1 1 26 . 14 1 1 A 11 11 LYS CB C 11 32.429 35.122 -2.693 1 1 38 . 14 1 1 A 11 11 LYS C C 11 174.559 175.649 -1.090 1 1 39 . 14 1 1 A 12 12 PRO CA C 12 63.174 65.955 -2.781 1 1 40 . 14 1 1 A 12 12 PRO HA H 12 4.307 4.430 -0.123 1 1 41 . 14 1 1 A 12 12 PRO CB C 12 32.305 31.565 0.740 1 1 50 . 14 1 1 A 12 12 PRO C C 12 176.285 175.942 0.343 1 1 51 . 14 1 1 A 13 13 TYR N N 13 118.529 117.478 1.051 1 1 52 . 14 1 1 A 13 13 TYR H H 13 8.139 7.923 0.216 1 1 53 . 14 1 1 A 13 13 TYR CA C 13 57.904 57.024 0.880 1 1 54 . 14 1 1 A 13 13 TYR HA H 13 4.593 5.073 -0.480 1 1 55 . 14 1 1 A 13 13 TYR CB C 13 39.336 42.115 -2.779 1 1 66 . 14 1 1 A 13 13 TYR C C 13 174.790 174.853 -0.063 1 1 67 . 14 1 1 A 14 14 GLU N N 14 123.238 118.441 4.797 1 1 68 . 14 1 1 A 14 14 GLU H H 14 8.698 9.135 -0.437 1 1 69 . 14 1 1 A 14 14 GLU CA C 14 54.739 55.437 -0.698 1 1 70 . 14 1 1 A 14 14 GLU HA H 14 4.934 5.468 -0.534 1 1 71 . 14 1 1 A 14 14 GLU CB C 14 33.864 33.443 0.421 1 1 77 . 14 1 1 A 14 14 GLU C C 14 175.146 174.664 0.482 1 1 78 . 14 1 1 A 15 15 CYS N N 15 126.999 123.686 3.313 1 1 79 . 14 1 1 A 15 15 CYS H H 15 9.003 9.376 -0.373 1 1 80 . 14 1 1 A 15 15 CYS CA C 15 59.138 59.202 -0.064 1 1 81 . 14 1 1 A 15 15 CYS HA H 15 4.566 4.547 0.019 1 1 82 . 14 1 1 A 15 15 CYS CB C 15 29.682 28.799 0.883 1 1 85 . 14 1 1 A 15 15 CYS C C 15 176.861 175.024 1.837 1 1 86 . 14 1 1 A 16 16 LYS CA C 16 58.521 56.583 1.938 1 1 87 . 14 1 1 A 16 16 LYS HA H 16 4.134 4.419 -0.285 1 1 88 . 14 1 1 A 16 16 LYS CB C 16 32.265 33.712 -1.447 1 1 100 . 14 1 1 A 16 16 LYS C C 16 176.983 177.153 -0.170 1 1 101 . 14 1 1 A 17 17 GLU N N 17 119.122 119.451 -0.329 1 1 102 . 14 1 1 A 17 17 GLU H H 17 8.546 8.019 0.527 1 1 103 . 14 1 1 A 17 17 GLU CA C 17 58.320 58.275 0.045 1 1 104 . 14 1 1 A 17 17 GLU HA H 17 4.177 4.272 -0.095 1 1 105 . 14 1 1 A 17 17 GLU CB C 17 29.439 30.531 -1.092 1 1 111 . 14 1 1 A 17 17 GLU C C 17 177.215 178.846 -1.631 1 1 112 . 14 1 1 A 18 18 CYS N N 18 115.644 117.824 -2.180 1 1 113 . 14 1 1 A 18 18 CYS H H 18 7.939 7.952 -0.013 1 1 114 . 14 1 1 A 18 18 CYS CA C 18 58.632 60.148 -1.516 1 1 115 . 14 1 1 A 18 18 CYS HA H 18 5.062 4.442 0.620 1 1 116 . 14 1 1 A 18 18 CYS CB C 18 31.808 28.279 3.529 1 1 119 . 14 1 1 A 18 18 CYS C C 18 175.151 174.629 0.522 1 1 120 . 14 1 1 A 19 19 ARG N N 19 116.788 116.547 0.241 1 1 121 . 14 1 1 A 19 19 ARG H H 19 8.171 7.894 0.277 1 1 122 . 14 1 1 A 19 19 ARG CA C 19 57.860 57.107 0.753 1 1 123 . 14 1 1 A 19 19 ARG HA H 19 4.148 3.909 0.239 1 1 124 . 14 1 1 A 19 19 ARG CB C 19 26.487 27.272 -0.785 1 1 133 . 14 1 1 A 19 19 ARG C C 19 175.492 175.265 0.227 1 1 134 . 14 1 1 A 20 20 LYS N N 20 121.616 118.969 2.647 1 1 135 . 14 1 1 A 20 20 LYS H H 20 7.920 7.678 0.242 1 1 136 . 14 1 1 A 20 20 LYS CA C 20 58.019 56.900 1.119 1 1 137 . 14 1 1 A 20 20 LYS HA H 20 4.152 4.130 0.022 1 1 138 . 14 1 1 A 20 20 LYS CB C 20 34.130 32.633 1.497 1 1 150 . 14 1 1 A 20 20 LYS C C 20 175.066 177.000 -1.934 1 1 151 . 14 1 1 A 21 21 THR N N 21 110.534 113.879 -3.345 1 1 152 . 14 1 1 A 21 21 THR H H 21 7.580 8.168 -0.588 1 1 153 . 14 1 1 A 21 21 THR CA C 21 59.360 60.155 -0.795 1 1 154 . 14 1 1 A 21 21 THR HA H 21 5.208 5.272 -0.064 1 1 155 . 14 1 1 A 21 21 THR CB C 21 71.608 71.075 0.533 1 1 161 . 14 1 1 A 21 21 THR C C 21 173.627 173.394 0.233 1 1 162 . 14 1 1 A 22 22 PHE N N 22 116.966 118.311 -1.345 1 1 163 . 14 1 1 A 22 22 PHE H H 22 8.725 8.747 -0.022 1 1 164 . 14 1 1 A 22 22 PHE CA C 22 57.114 56.489 0.625 1 1 165 . 14 1 1 A 22 22 PHE HA H 22 4.819 4.838 -0.019 1 1 166 . 14 1 1 A 22 22 PHE CB C 22 44.195 42.674 1.521 1 1 179 . 14 1 1 A 22 22 PHE C C 22 175.176 175.713 -0.537 1 1 180 . 14 1 1 A 23 23 ILE N N 23 119.763 123.620 -3.857 1 1 181 . 14 1 1 A 23 23 ILE H H 23 9.199 8.668 0.531 1 1 182 . 14 1 1 A 23 23 ILE CA C 23 62.706 64.616 -1.910 1 1 183 . 14 1 1 A 23 23 ILE HA H 23 4.309 4.007 0.302 1 1 184 . 14 1 1 A 23 23 ILE CB C 23 38.932 37.962 0.970 1 1 197 . 14 1 1 A 23 23 ILE C C 23 176.059 176.567 -0.508 1 1 198 . 14 1 1 A 24 24 GLN N N 24 115.642 119.975 -4.333 1 1 199 . 14 1 1 A 24 24 GLN H H 24 7.544 7.979 -0.435 1 1 200 . 14 1 1 A 24 24 GLN CA C 24 53.942 54.379 -0.437 1 1 201 . 14 1 1 A 24 24 GLN HA H 24 4.801 4.760 0.041 1 1 202 . 14 1 1 A 24 24 GLN CB C 24 30.876 31.191 -0.315 1 1 211 . 14 1 1 A 24 24 GLN C C 24 177.011 175.625 1.386 1 1 212 . 14 1 1 A 25 25 ILE N N 25 126.235 126.758 -0.523 1 1 213 . 14 1 1 A 25 25 ILE H H 25 8.690 8.632 0.058 1 1 214 . 14 1 1 A 25 25 ILE CA C 25 63.136 64.247 -1.111 1 1 215 . 14 1 1 A 25 25 ILE HA H 25 3.186 3.196 -0.010 1 1 216 . 14 1 1 A 25 25 ILE CB C 25 37.472 37.383 0.089 1 1 229 . 14 1 1 A 25 25 ILE C C 25 176.863 177.491 -0.628 1 1 230 . 14 1 1 A 26 26 GLY N N 26 109.568 109.698 -0.130 1 1 231 . 14 1 1 A 26 26 GLY H H 26 8.595 8.223 0.372 1 1 232 . 14 1 1 A 26 26 GLY CA C 26 46.804 47.349 -0.545 1 1 233 . 14 1 1 A 26 26 GLY HA2 H 26 3.837 3.722 0.115 1 1 234 . 14 1 1 A 26 26 GLY HA3 H 26 3.780 3.750 0.030 1 1 235 . 14 1 1 A 26 26 GLY C C 26 176.792 175.895 0.897 1 1 236 . 14 1 1 A 27 27 HIS N N 27 119.048 121.663 -2.615 1 1 237 . 14 1 1 A 27 27 HIS H H 27 6.921 8.062 -1.141 1 1 238 . 14 1 1 A 27 27 HIS CA C 27 57.080 59.344 -2.264 1 1 239 . 14 1 1 A 27 27 HIS HA H 27 4.482 4.083 0.399 1 1 240 . 14 1 1 A 27 27 HIS CB C 27 31.775 29.965 1.810 1 1 247 . 14 1 1 A 27 27 HIS C C 27 178.571 177.014 1.557 1 1 248 . 14 1 1 A 28 28 LEU N N 28 122.327 119.901 2.426 1 1 249 . 14 1 1 A 28 28 LEU H H 28 6.954 7.252 -0.298 1 1 250 . 14 1 1 A 28 28 LEU CA C 28 57.735 56.749 0.986 1 1 251 . 14 1 1 A 28 28 LEU HA H 28 3.018 2.979 0.039 1 1 252 . 14 1 1 A 28 28 LEU CB C 28 40.149 41.539 -1.390 1 1 265 . 14 1 1 A 28 28 LEU C C 28 177.665 178.593 -0.928 1 1 266 . 14 1 1 A 29 29 ASN N N 29 117.755 116.797 0.958 1 1 267 . 14 1 1 A 29 29 ASN H H 29 8.452 8.446 0.006 1 1 268 . 14 1 1 A 29 29 ASN CA C 29 56.110 56.305 -0.195 1 1 269 . 14 1 1 A 29 29 ASN HA H 29 4.287 4.401 -0.114 1 1 270 . 14 1 1 A 29 29 ASN CB C 29 37.160 37.786 -0.626 1 1 276 . 14 1 1 A 29 29 ASN C C 29 178.326 177.768 0.558 1 1 277 . 14 1 1 A 30 30 GLN N N 30 118.797 118.822 -0.025 1 1 278 . 14 1 1 A 30 30 GLN H H 30 7.759 7.340 0.419 1 1 279 . 14 1 1 A 30 30 GLN CA C 30 58.546 57.541 1.005 1 1 280 . 14 1 1 A 30 30 GLN HA H 30 4.030 4.235 -0.205 1 1 281 . 14 1 1 A 30 30 GLN CB C 30 28.693 29.249 -0.556 1 1 290 . 14 1 1 A 30 30 GLN C C 30 178.121 178.071 0.050 1 1 291 . 14 1 1 A 31 31 HIS N N 31 119.702 120.996 -1.294 1 1 292 . 14 1 1 A 31 31 HIS H H 31 7.664 7.750 -0.086 1 1 293 . 14 1 1 A 31 31 HIS CA C 31 58.885 59.581 -0.696 1 1 294 . 14 1 1 A 31 31 HIS HA H 31 4.215 4.168 0.047 1 1 295 . 14 1 1 A 31 31 HIS CB C 31 28.494 29.564 -1.070 1 1 302 . 14 1 1 A 31 31 HIS C C 31 176.042 177.491 -1.449 1 1 303 . 14 1 1 A 32 32 LYS N N 32 115.824 118.062 -2.238 1 1 304 . 14 1 1 A 32 32 LYS H H 32 8.088 8.495 -0.407 1 1 305 . 14 1 1 A 32 32 LYS CA C 32 60.123 58.766 1.357 1 1 306 . 14 1 1 A 32 32 LYS HA H 32 3.698 4.202 -0.504 1 1 307 . 14 1 1 A 32 32 LYS CB C 32 32.401 31.879 0.522 1 1 319 . 14 1 1 A 32 32 LYS C C 32 177.823 178.622 -0.799 1 1 320 . 14 1 1 A 33 33 ARG N N 33 116.801 119.011 -2.210 1 1 321 . 14 1 1 A 33 33 ARG H H 33 7.063 7.981 -0.918 1 1 322 . 14 1 1 A 33 33 ARG CA C 33 58.202 59.174 -0.972 1 1 323 . 14 1 1 A 33 33 ARG HA H 33 4.133 4.066 0.067 1 1 324 . 14 1 1 A 33 33 ARG CB C 33 29.942 30.307 -0.365 1 1 332 . 14 1 1 A 33 33 ARG C C 33 178.364 179.302 -0.938 1 1 333 . 14 1 1 A 34 34 VAL N N 34 116.485 116.741 -0.256 1 1 334 . 14 1 1 A 34 34 VAL H H 34 7.933 7.379 0.554 1 1 335 . 14 1 1 A 34 34 VAL CA C 34 63.948 65.402 -1.454 1 1 336 . 14 1 1 A 34 34 VAL HA H 34 3.873 3.779 0.094 1 1 337 . 14 1 1 A 34 34 VAL CB C 34 31.153 31.026 0.127 1 1 347 . 14 1 1 A 34 34 VAL C C 34 177.213 178.112 -0.899 1 1 348 . 14 1 1 A 35 35 HIS N N 35 117.143 119.393 -2.250 1 1 349 . 14 1 1 A 35 35 HIS H H 35 7.182 7.770 -0.588 1 1 350 . 14 1 1 A 35 35 HIS CA C 35 55.134 58.679 -3.545 1 1 351 . 14 1 1 A 35 35 HIS HA H 35 4.836 4.324 0.512 1 1 352 . 14 1 1 A 35 35 HIS CB C 35 28.697 29.661 -0.964 1 1 359 . 14 1 1 A 35 35 HIS C C 35 175.649 175.869 -0.220 1 1 360 . 14 1 1 A 36 36 THR N N 36 112.212 113.180 -0.968 1 1 361 . 14 1 1 A 36 36 THR H H 36 7.779 8.209 -0.430 1 1 362 . 14 1 1 A 36 36 THR CA C 36 62.601 62.282 0.319 1 1 363 . 14 1 1 A 36 36 THR HA H 36 4.335 4.435 -0.100 1 1 364 . 14 1 1 A 36 36 THR CB C 36 69.772 70.182 -0.410 1 1 370 . 14 1 1 A 36 36 THR C C 36 175.505 175.546 -0.041 1 1 371 . 14 1 1 A 37 37 GLY N N 37 110.726 115.489 -4.763 1 1 372 . 14 1 1 A 37 37 GLY H H 37 8.300 8.685 -0.385 1 1 373 . 14 1 1 A 37 37 GLY CA C 37 45.440 45.767 -0.327 1 1 374 . 14 1 1 A 37 37 GLY HA2 H 37 4.009 4.031 -0.022 1 1 375 . 14 1 1 A 37 37 GLY HA3 H 37 3.935 4.034 -0.099 1 1 376 . 14 1 1 A 37 37 GLY C C 37 174.308 173.530 0.778 1 1 377 . 14 1 1 A 38 38 GLU N N 38 120.764 115.388 5.376 1 1 378 . 14 1 1 A 38 38 GLU H H 38 8.144 7.651 0.493 1 1 379 . 14 1 1 A 38 38 GLU CA C 38 56.738 54.779 1.959 1 1 380 . 14 1 1 A 38 38 GLU HA H 38 4.240 4.811 -0.571 1 1 381 . 14 1 1 A 38 38 GLU CB C 38 30.407 32.950 -2.543 1 1 387 . 14 1 1 A 38 38 GLU C C 38 176.615 174.614 2.001 1 1 388 . 14 1 1 A 39 39 ARG N N 39 121.903 126.021 -4.118 1 1 389 . 14 1 1 A 39 39 ARG H H 39 8.401 8.763 -0.362 1 1 390 . 14 1 1 A 39 39 ARG CA C 39 56.022 56.865 -0.843 1 1 391 . 14 1 1 A 39 39 ARG HA H 39 4.372 4.390 -0.018 1 1 392 . 14 1 1 A 39 39 ARG CB C 39 30.822 31.362 -0.540 1 1 401 . 14 1 1 A 39 39 ARG C C 39 176.458 176.278 0.180 1 1 402 . 14 1 1 A 42 42 GLY CA C 42 44.688 46.041 -1.353 1 1 403 . 14 1 1 A 42 42 GLY HA2 H 42 4.120 4.037 0.083 1 1 404 . 14 1 1 A 42 42 GLY HA3 H 42 4.120 4.038 0.082 1 1 405 . 14 1 1 A 43 43 PRO CA C 43 63.243 62.383 0.860 1 1 406 . 14 1 1 A 43 43 PRO HA H 43 4.464 4.589 -0.125 1 1 407 . 14 1 1 A 43 43 PRO CB C 43 32.210 30.554 1.656 1 1 1 . 15 1 1 A 9 9 GLY CA C 9 45.463 45.902 -0.439 1 1 2 . 15 1 1 A 9 9 GLY HA2 H 9 4.008 4.165 -0.157 1 1 3 . 15 1 1 A 9 9 GLY HA3 H 9 3.922 4.166 -0.244 1 1 4 . 15 1 1 A 9 9 GLY C C 9 173.883 171.761 2.122 1 1 5 . 15 1 1 A 10 10 LYS N N 10 120.890 124.436 -3.546 1 1 6 . 15 1 1 A 10 10 LYS H H 10 8.081 9.147 -1.066 1 1 7 . 15 1 1 A 10 10 LYS CA C 10 56.099 55.076 1.023 1 1 8 . 15 1 1 A 10 10 LYS HA H 10 4.257 4.816 -0.559 1 1 9 . 15 1 1 A 10 10 LYS CB C 10 33.091 33.398 -0.307 1 1 21 . 15 1 1 A 10 10 LYS C C 10 176.341 174.886 1.455 1 1 22 . 15 1 1 A 11 11 LYS N N 11 124.299 122.339 1.960 1 1 23 . 15 1 1 A 11 11 LYS H H 11 8.318 8.011 0.307 1 1 24 . 15 1 1 A 11 11 LYS CA C 11 54.092 53.141 0.951 1 1 25 . 15 1 1 A 11 11 LYS HA H 11 4.516 4.904 -0.388 1 1 26 . 15 1 1 A 11 11 LYS CB C 11 32.429 34.299 -1.870 1 1 38 . 15 1 1 A 11 11 LYS C C 11 174.559 176.036 -1.477 1 1 39 . 15 1 1 A 12 12 PRO CA C 12 63.174 65.790 -2.616 1 1 40 . 15 1 1 A 12 12 PRO HA H 12 4.307 4.265 0.042 1 1 41 . 15 1 1 A 12 12 PRO CB C 12 32.305 31.376 0.929 1 1 50 . 15 1 1 A 12 12 PRO C C 12 176.285 175.766 0.519 1 1 51 . 15 1 1 A 13 13 TYR N N 13 118.529 117.474 1.055 1 1 52 . 15 1 1 A 13 13 TYR H H 13 8.139 7.814 0.325 1 1 53 . 15 1 1 A 13 13 TYR CA C 13 57.904 57.038 0.866 1 1 54 . 15 1 1 A 13 13 TYR HA H 13 4.593 5.172 -0.579 1 1 55 . 15 1 1 A 13 13 TYR CB C 13 39.336 42.312 -2.976 1 1 66 . 15 1 1 A 13 13 TYR C C 13 174.790 174.856 -0.066 1 1 67 . 15 1 1 A 14 14 GLU N N 14 123.238 118.524 4.714 1 1 68 . 15 1 1 A 14 14 GLU H H 14 8.698 9.197 -0.499 1 1 69 . 15 1 1 A 14 14 GLU CA C 14 54.739 55.322 -0.583 1 1 70 . 15 1 1 A 14 14 GLU HA H 14 4.934 5.467 -0.533 1 1 71 . 15 1 1 A 14 14 GLU CB C 14 33.864 33.628 0.236 1 1 77 . 15 1 1 A 14 14 GLU C C 14 175.146 174.574 0.572 1 1 78 . 15 1 1 A 15 15 CYS N N 15 126.999 122.554 4.445 1 1 79 . 15 1 1 A 15 15 CYS H H 15 9.003 9.057 -0.054 1 1 80 . 15 1 1 A 15 15 CYS CA C 15 59.138 58.818 0.320 1 1 81 . 15 1 1 A 15 15 CYS HA H 15 4.566 4.811 -0.245 1 1 82 . 15 1 1 A 15 15 CYS CB C 15 29.682 29.584 0.098 1 1 85 . 15 1 1 A 15 15 CYS C C 15 176.861 174.762 2.099 1 1 86 . 15 1 1 A 16 16 LYS CA C 16 58.521 57.563 0.958 1 1 87 . 15 1 1 A 16 16 LYS HA H 16 4.134 4.492 -0.358 1 1 88 . 15 1 1 A 16 16 LYS CB C 16 32.265 34.060 -1.795 1 1 100 . 15 1 1 A 16 16 LYS C C 16 176.983 178.126 -1.143 1 1 101 . 15 1 1 A 17 17 GLU N N 17 119.122 118.623 0.499 1 1 102 . 15 1 1 A 17 17 GLU H H 17 8.546 8.147 0.399 1 1 103 . 15 1 1 A 17 17 GLU CA C 17 58.320 58.628 -0.308 1 1 104 . 15 1 1 A 17 17 GLU HA H 17 4.177 4.260 -0.083 1 1 105 . 15 1 1 A 17 17 GLU CB C 17 29.439 30.253 -0.814 1 1 111 . 15 1 1 A 17 17 GLU C C 17 177.215 178.840 -1.625 1 1 112 . 15 1 1 A 18 18 CYS N N 18 115.644 117.240 -1.596 1 1 113 . 15 1 1 A 18 18 CYS H H 18 7.939 7.977 -0.038 1 1 114 . 15 1 1 A 18 18 CYS CA C 18 58.632 60.271 -1.639 1 1 115 . 15 1 1 A 18 18 CYS HA H 18 5.062 4.439 0.623 1 1 116 . 15 1 1 A 18 18 CYS CB C 18 31.808 28.259 3.549 1 1 119 . 15 1 1 A 18 18 CYS C C 18 175.151 174.553 0.598 1 1 120 . 15 1 1 A 19 19 ARG N N 19 116.788 116.880 -0.092 1 1 121 . 15 1 1 A 19 19 ARG H H 19 8.171 7.973 0.198 1 1 122 . 15 1 1 A 19 19 ARG CA C 19 57.860 57.002 0.858 1 1 123 . 15 1 1 A 19 19 ARG HA H 19 4.148 3.907 0.241 1 1 124 . 15 1 1 A 19 19 ARG CB C 19 26.487 27.229 -0.742 1 1 133 . 15 1 1 A 19 19 ARG C C 19 175.492 174.652 0.840 1 1 134 . 15 1 1 A 20 20 LYS N N 20 121.616 118.088 3.528 1 1 135 . 15 1 1 A 20 20 LYS H H 20 7.920 7.898 0.022 1 1 136 . 15 1 1 A 20 20 LYS CA C 20 58.019 54.575 3.444 1 1 137 . 15 1 1 A 20 20 LYS HA H 20 4.152 4.798 -0.646 1 1 138 . 15 1 1 A 20 20 LYS CB C 20 34.130 34.414 -0.284 1 1 150 . 15 1 1 A 20 20 LYS C C 20 175.066 176.661 -1.595 1 1 151 . 15 1 1 A 21 21 THR N N 21 110.534 112.925 -2.391 1 1 152 . 15 1 1 A 21 21 THR H H 21 7.580 8.326 -0.746 1 1 153 . 15 1 1 A 21 21 THR CA C 21 59.360 60.227 -0.867 1 1 154 . 15 1 1 A 21 21 THR HA H 21 5.208 5.406 -0.198 1 1 155 . 15 1 1 A 21 21 THR CB C 21 71.608 71.457 0.151 1 1 161 . 15 1 1 A 21 21 THR C C 21 173.627 173.398 0.229 1 1 162 . 15 1 1 A 22 22 PHE N N 22 116.966 117.999 -1.033 1 1 163 . 15 1 1 A 22 22 PHE H H 22 8.725 8.779 -0.054 1 1 164 . 15 1 1 A 22 22 PHE CA C 22 57.114 56.516 0.598 1 1 165 . 15 1 1 A 22 22 PHE HA H 22 4.819 4.879 -0.060 1 1 166 . 15 1 1 A 22 22 PHE CB C 22 44.195 42.756 1.439 1 1 179 . 15 1 1 A 22 22 PHE C C 22 175.176 175.794 -0.618 1 1 180 . 15 1 1 A 23 23 ILE N N 23 119.763 123.793 -4.030 1 1 181 . 15 1 1 A 23 23 ILE H H 23 9.199 8.554 0.645 1 1 182 . 15 1 1 A 23 23 ILE CA C 23 62.706 65.473 -2.767 1 1 183 . 15 1 1 A 23 23 ILE HA H 23 4.309 3.803 0.506 1 1 184 . 15 1 1 A 23 23 ILE CB C 23 38.932 38.064 0.868 1 1 197 . 15 1 1 A 23 23 ILE C C 23 176.059 176.423 -0.364 1 1 198 . 15 1 1 A 24 24 GLN N N 24 115.642 118.968 -3.326 1 1 199 . 15 1 1 A 24 24 GLN H H 24 7.544 7.994 -0.450 1 1 200 . 15 1 1 A 24 24 GLN CA C 24 53.942 54.145 -0.203 1 1 201 . 15 1 1 A 24 24 GLN HA H 24 4.801 4.698 0.103 1 1 202 . 15 1 1 A 24 24 GLN CB C 24 30.876 30.377 0.499 1 1 211 . 15 1 1 A 24 24 GLN C C 24 177.011 176.704 0.307 1 1 212 . 15 1 1 A 25 25 ILE N N 25 126.235 125.135 1.100 1 1 213 . 15 1 1 A 25 25 ILE H H 25 8.690 8.717 -0.027 1 1 214 . 15 1 1 A 25 25 ILE CA C 25 63.136 63.908 -0.772 1 1 215 . 15 1 1 A 25 25 ILE HA H 25 3.186 3.328 -0.142 1 1 216 . 15 1 1 A 25 25 ILE CB C 25 37.472 38.210 -0.738 1 1 229 . 15 1 1 A 25 25 ILE C C 25 176.863 178.070 -1.207 1 1 230 . 15 1 1 A 26 26 GLY N N 26 109.568 109.596 -0.028 1 1 231 . 15 1 1 A 26 26 GLY H H 26 8.595 8.380 0.215 1 1 232 . 15 1 1 A 26 26 GLY CA C 26 46.804 47.336 -0.532 1 1 233 . 15 1 1 A 26 26 GLY HA2 H 26 3.837 3.654 0.183 1 1 234 . 15 1 1 A 26 26 GLY HA3 H 26 3.780 3.710 0.070 1 1 235 . 15 1 1 A 26 26 GLY C C 26 176.792 176.378 0.414 1 1 236 . 15 1 1 A 27 27 HIS N N 27 119.048 120.078 -1.030 1 1 237 . 15 1 1 A 27 27 HIS H H 27 6.921 8.070 -1.149 1 1 238 . 15 1 1 A 27 27 HIS CA C 27 57.080 58.458 -1.378 1 1 239 . 15 1 1 A 27 27 HIS HA H 27 4.482 4.431 0.051 1 1 240 . 15 1 1 A 27 27 HIS CB C 27 31.775 30.147 1.628 1 1 247 . 15 1 1 A 27 27 HIS C C 27 178.571 177.511 1.060 1 1 248 . 15 1 1 A 28 28 LEU N N 28 122.327 120.537 1.790 1 1 249 . 15 1 1 A 28 28 LEU H H 28 6.954 7.824 -0.870 1 1 250 . 15 1 1 A 28 28 LEU CA C 28 57.735 57.428 0.307 1 1 251 . 15 1 1 A 28 28 LEU HA H 28 3.018 2.715 0.303 1 1 252 . 15 1 1 A 28 28 LEU CB C 28 40.149 41.120 -0.971 1 1 265 . 15 1 1 A 28 28 LEU C C 28 177.665 178.360 -0.695 1 1 266 . 15 1 1 A 29 29 ASN N N 29 117.755 116.003 1.752 1 1 267 . 15 1 1 A 29 29 ASN H H 29 8.452 8.437 0.015 1 1 268 . 15 1 1 A 29 29 ASN CA C 29 56.110 56.344 -0.234 1 1 269 . 15 1 1 A 29 29 ASN HA H 29 4.287 4.274 0.013 1 1 270 . 15 1 1 A 29 29 ASN CB C 29 37.160 37.781 -0.621 1 1 276 . 15 1 1 A 29 29 ASN C C 29 178.326 177.711 0.615 1 1 277 . 15 1 1 A 30 30 GLN N N 30 118.797 120.324 -1.527 1 1 278 . 15 1 1 A 30 30 GLN H H 30 7.759 7.843 -0.084 1 1 279 . 15 1 1 A 30 30 GLN CA C 30 58.546 58.605 -0.059 1 1 280 . 15 1 1 A 30 30 GLN HA H 30 4.030 4.007 0.023 1 1 281 . 15 1 1 A 30 30 GLN CB C 30 28.693 28.158 0.535 1 1 290 . 15 1 1 A 30 30 GLN C C 30 178.121 178.356 -0.235 1 1 291 . 15 1 1 A 31 31 HIS N N 31 119.702 119.748 -0.046 1 1 292 . 15 1 1 A 31 31 HIS H H 31 7.664 7.950 -0.286 1 1 293 . 15 1 1 A 31 31 HIS CA C 31 58.885 59.349 -0.464 1 1 294 . 15 1 1 A 31 31 HIS HA H 31 4.215 4.008 0.207 1 1 295 . 15 1 1 A 31 31 HIS CB C 31 28.494 29.885 -1.391 1 1 302 . 15 1 1 A 31 31 HIS C C 31 176.042 176.279 -0.237 1 1 303 . 15 1 1 A 32 32 LYS N N 32 115.824 118.473 -2.649 1 1 304 . 15 1 1 A 32 32 LYS H H 32 8.088 7.436 0.652 1 1 305 . 15 1 1 A 32 32 LYS CA C 32 60.123 57.955 2.168 1 1 306 . 15 1 1 A 32 32 LYS HA H 32 3.698 3.950 -0.252 1 1 307 . 15 1 1 A 32 32 LYS CB C 32 32.401 32.452 -0.051 1 1 319 . 15 1 1 A 32 32 LYS C C 32 177.823 179.189 -1.366 1 1 320 . 15 1 1 A 33 33 ARG N N 33 116.801 119.393 -2.592 1 1 321 . 15 1 1 A 33 33 ARG H H 33 7.063 8.323 -1.260 1 1 322 . 15 1 1 A 33 33 ARG CA C 33 58.202 59.380 -1.178 1 1 323 . 15 1 1 A 33 33 ARG HA H 33 4.133 4.007 0.126 1 1 324 . 15 1 1 A 33 33 ARG CB C 33 29.942 30.601 -0.659 1 1 332 . 15 1 1 A 33 33 ARG C C 33 178.364 178.958 -0.594 1 1 333 . 15 1 1 A 34 34 VAL N N 34 116.485 117.103 -0.618 1 1 334 . 15 1 1 A 34 34 VAL H H 34 7.933 7.493 0.440 1 1 335 . 15 1 1 A 34 34 VAL CA C 34 63.948 65.583 -1.635 1 1 336 . 15 1 1 A 34 34 VAL HA H 34 3.873 3.778 0.095 1 1 337 . 15 1 1 A 34 34 VAL CB C 34 31.153 31.345 -0.192 1 1 347 . 15 1 1 A 34 34 VAL C C 34 177.213 178.007 -0.794 1 1 348 . 15 1 1 A 35 35 HIS N N 35 117.143 120.005 -2.862 1 1 349 . 15 1 1 A 35 35 HIS H H 35 7.182 8.036 -0.854 1 1 350 . 15 1 1 A 35 35 HIS CA C 35 55.134 58.411 -3.277 1 1 351 . 15 1 1 A 35 35 HIS HA H 35 4.836 4.325 0.511 1 1 352 . 15 1 1 A 35 35 HIS CB C 35 28.697 29.667 -0.970 1 1 359 . 15 1 1 A 35 35 HIS C C 35 175.649 175.800 -0.151 1 1 360 . 15 1 1 A 36 36 THR N N 36 112.212 110.173 2.039 1 1 361 . 15 1 1 A 36 36 THR H H 36 7.779 7.352 0.427 1 1 362 . 15 1 1 A 36 36 THR CA C 36 62.601 63.633 -1.032 1 1 363 . 15 1 1 A 36 36 THR HA H 36 4.335 4.171 0.164 1 1 364 . 15 1 1 A 36 36 THR CB C 36 69.772 68.391 1.381 1 1 370 . 15 1 1 A 36 36 THR C C 36 175.505 174.771 0.734 1 1 371 . 15 1 1 A 37 37 GLY N N 37 110.726 112.731 -2.005 1 1 372 . 15 1 1 A 37 37 GLY H H 37 8.300 8.835 -0.535 1 1 373 . 15 1 1 A 37 37 GLY CA C 37 45.440 44.921 0.519 1 1 374 . 15 1 1 A 37 37 GLY HA2 H 37 4.009 3.953 0.056 1 1 375 . 15 1 1 A 37 37 GLY HA3 H 37 3.935 3.954 -0.019 1 1 376 . 15 1 1 A 37 37 GLY C C 37 174.308 172.633 1.675 1 1 377 . 15 1 1 A 38 38 GLU N N 38 120.764 117.985 2.779 1 1 378 . 15 1 1 A 38 38 GLU H H 38 8.144 8.526 -0.382 1 1 379 . 15 1 1 A 38 38 GLU CA C 38 56.738 54.850 1.888 1 1 380 . 15 1 1 A 38 38 GLU HA H 38 4.240 4.789 -0.549 1 1 381 . 15 1 1 A 38 38 GLU CB C 38 30.407 32.694 -2.287 1 1 387 . 15 1 1 A 38 38 GLU C C 38 176.615 175.976 0.639 1 1 388 . 15 1 1 A 39 39 ARG N N 39 121.903 121.987 -0.084 1 1 389 . 15 1 1 A 39 39 ARG H H 39 8.401 8.698 -0.297 1 1 390 . 15 1 1 A 39 39 ARG CA C 39 56.022 56.798 -0.776 1 1 391 . 15 1 1 A 39 39 ARG HA H 39 4.372 3.735 0.637 1 1 392 . 15 1 1 A 39 39 ARG CB C 39 30.822 27.831 2.991 1 1 401 . 15 1 1 A 39 39 ARG C C 39 176.458 174.775 1.683 1 1 402 . 15 1 1 A 42 42 GLY CA C 42 44.688 44.715 -0.027 1 1 403 . 15 1 1 A 42 42 GLY HA2 H 42 4.120 4.022 0.098 1 1 404 . 15 1 1 A 42 42 GLY HA3 H 42 4.120 4.022 0.098 1 1 405 . 15 1 1 A 43 43 PRO CA C 43 63.243 64.837 -1.594 1 1 406 . 15 1 1 A 43 43 PRO HA H 43 4.464 4.434 0.030 1 1 407 . 15 1 1 A 43 43 PRO CB C 43 32.210 31.822 0.388 1 1 1 . 16 1 1 A 9 9 GLY CA C 9 45.463 46.760 -1.297 1 1 2 . 16 1 1 A 9 9 GLY HA2 H 9 4.008 3.938 0.070 1 1 3 . 16 1 1 A 9 9 GLY HA3 H 9 3.922 3.938 -0.016 1 1 4 . 16 1 1 A 9 9 GLY C C 9 173.883 174.881 -0.998 1 1 5 . 16 1 1 A 10 10 LYS N N 10 120.890 118.561 2.329 1 1 6 . 16 1 1 A 10 10 LYS H H 10 8.081 7.877 0.204 1 1 7 . 16 1 1 A 10 10 LYS CA C 10 56.099 56.505 -0.406 1 1 8 . 16 1 1 A 10 10 LYS HA H 10 4.257 4.269 -0.012 1 1 9 . 16 1 1 A 10 10 LYS CB C 10 33.091 32.934 0.157 1 1 21 . 16 1 1 A 10 10 LYS C C 10 176.341 176.266 0.075 1 1 22 . 16 1 1 A 11 11 LYS N N 11 124.299 124.128 0.171 1 1 23 . 16 1 1 A 11 11 LYS H H 11 8.318 8.333 -0.015 1 1 24 . 16 1 1 A 11 11 LYS CA C 11 54.092 52.975 1.117 1 1 25 . 16 1 1 A 11 11 LYS HA H 11 4.516 4.769 -0.253 1 1 26 . 16 1 1 A 11 11 LYS CB C 11 32.429 34.031 -1.602 1 1 38 . 16 1 1 A 11 11 LYS C C 11 174.559 175.927 -1.368 1 1 39 . 16 1 1 A 12 12 PRO CA C 12 63.174 65.801 -2.627 1 1 40 . 16 1 1 A 12 12 PRO HA H 12 4.307 4.262 0.045 1 1 41 . 16 1 1 A 12 12 PRO CB C 12 32.305 31.439 0.866 1 1 50 . 16 1 1 A 12 12 PRO C C 12 176.285 175.582 0.703 1 1 51 . 16 1 1 A 13 13 TYR N N 13 118.529 117.018 1.511 1 1 52 . 16 1 1 A 13 13 TYR H H 13 8.139 7.859 0.280 1 1 53 . 16 1 1 A 13 13 TYR CA C 13 57.904 56.675 1.229 1 1 54 . 16 1 1 A 13 13 TYR HA H 13 4.593 5.382 -0.789 1 1 55 . 16 1 1 A 13 13 TYR CB C 13 39.336 42.254 -2.918 1 1 66 . 16 1 1 A 13 13 TYR C C 13 174.790 174.714 0.076 1 1 67 . 16 1 1 A 14 14 GLU N N 14 123.238 120.567 2.671 1 1 68 . 16 1 1 A 14 14 GLU H H 14 8.698 8.934 -0.236 1 1 69 . 16 1 1 A 14 14 GLU CA C 14 54.739 55.355 -0.616 1 1 70 . 16 1 1 A 14 14 GLU HA H 14 4.934 5.169 -0.235 1 1 71 . 16 1 1 A 14 14 GLU CB C 14 33.864 33.413 0.451 1 1 77 . 16 1 1 A 14 14 GLU C C 14 175.146 175.094 0.052 1 1 78 . 16 1 1 A 15 15 CYS N N 15 126.999 125.812 1.187 1 1 79 . 16 1 1 A 15 15 CYS H H 15 9.003 9.210 -0.207 1 1 80 . 16 1 1 A 15 15 CYS CA C 15 59.138 59.294 -0.156 1 1 81 . 16 1 1 A 15 15 CYS HA H 15 4.566 4.702 -0.136 1 1 82 . 16 1 1 A 15 15 CYS CB C 15 29.682 29.060 0.622 1 1 85 . 16 1 1 A 15 15 CYS C C 15 176.861 174.887 1.974 1 1 86 . 16 1 1 A 16 16 LYS CA C 16 58.521 57.644 0.877 1 1 87 . 16 1 1 A 16 16 LYS HA H 16 4.134 4.398 -0.264 1 1 88 . 16 1 1 A 16 16 LYS CB C 16 32.265 33.469 -1.204 1 1 100 . 16 1 1 A 16 16 LYS C C 16 176.983 177.980 -0.997 1 1 101 . 16 1 1 A 17 17 GLU N N 17 119.122 118.805 0.317 1 1 102 . 16 1 1 A 17 17 GLU H H 17 8.546 8.184 0.362 1 1 103 . 16 1 1 A 17 17 GLU CA C 17 58.320 58.494 -0.174 1 1 104 . 16 1 1 A 17 17 GLU HA H 17 4.177 4.178 -0.001 1 1 105 . 16 1 1 A 17 17 GLU CB C 17 29.439 30.116 -0.677 1 1 111 . 16 1 1 A 17 17 GLU C C 17 177.215 178.489 -1.274 1 1 112 . 16 1 1 A 18 18 CYS N N 18 115.644 115.944 -0.300 1 1 113 . 16 1 1 A 18 18 CYS H H 18 7.939 7.853 0.086 1 1 114 . 16 1 1 A 18 18 CYS CA C 18 58.632 59.023 -0.391 1 1 115 . 16 1 1 A 18 18 CYS HA H 18 5.062 4.469 0.593 1 1 116 . 16 1 1 A 18 18 CYS CB C 18 31.808 27.932 3.876 1 1 119 . 16 1 1 A 18 18 CYS C C 18 175.151 174.297 0.854 1 1 120 . 16 1 1 A 19 19 ARG N N 19 116.788 116.785 0.003 1 1 121 . 16 1 1 A 19 19 ARG H H 19 8.171 7.946 0.225 1 1 122 . 16 1 1 A 19 19 ARG CA C 19 57.860 57.009 0.851 1 1 123 . 16 1 1 A 19 19 ARG HA H 19 4.148 4.294 -0.146 1 1 124 . 16 1 1 A 19 19 ARG CB C 19 26.487 27.505 -1.018 1 1 133 . 16 1 1 A 19 19 ARG C C 19 175.492 174.634 0.858 1 1 134 . 16 1 1 A 20 20 LYS N N 20 121.616 117.950 3.666 1 1 135 . 16 1 1 A 20 20 LYS H H 20 7.920 7.865 0.055 1 1 136 . 16 1 1 A 20 20 LYS CA C 20 58.019 54.348 3.671 1 1 137 . 16 1 1 A 20 20 LYS HA H 20 4.152 4.918 -0.766 1 1 138 . 16 1 1 A 20 20 LYS CB C 20 34.130 34.535 -0.405 1 1 150 . 16 1 1 A 20 20 LYS C C 20 175.066 176.281 -1.215 1 1 151 . 16 1 1 A 21 21 THR N N 21 110.534 112.084 -1.550 1 1 152 . 16 1 1 A 21 21 THR H H 21 7.580 8.574 -0.994 1 1 153 . 16 1 1 A 21 21 THR CA C 21 59.360 60.064 -0.704 1 1 154 . 16 1 1 A 21 21 THR HA H 21 5.208 5.763 -0.555 1 1 155 . 16 1 1 A 21 21 THR CB C 21 71.608 71.442 0.166 1 1 161 . 16 1 1 A 21 21 THR C C 21 173.627 173.591 0.036 1 1 162 . 16 1 1 A 22 22 PHE N N 22 116.966 118.242 -1.276 1 1 163 . 16 1 1 A 22 22 PHE H H 22 8.725 8.935 -0.210 1 1 164 . 16 1 1 A 22 22 PHE CA C 22 57.114 56.488 0.626 1 1 165 . 16 1 1 A 22 22 PHE HA H 22 4.819 5.049 -0.230 1 1 166 . 16 1 1 A 22 22 PHE CB C 22 44.195 41.712 2.483 1 1 179 . 16 1 1 A 22 22 PHE C C 22 175.176 176.013 -0.837 1 1 180 . 16 1 1 A 23 23 ILE N N 23 119.763 124.698 -4.935 1 1 181 . 16 1 1 A 23 23 ILE H H 23 9.199 8.639 0.560 1 1 182 . 16 1 1 A 23 23 ILE CA C 23 62.706 65.300 -2.594 1 1 183 . 16 1 1 A 23 23 ILE HA H 23 4.309 3.890 0.419 1 1 184 . 16 1 1 A 23 23 ILE CB C 23 38.932 37.785 1.147 1 1 197 . 16 1 1 A 23 23 ILE C C 23 176.059 176.475 -0.416 1 1 198 . 16 1 1 A 24 24 GLN N N 24 115.642 119.224 -3.582 1 1 199 . 16 1 1 A 24 24 GLN H H 24 7.544 8.169 -0.625 1 1 200 . 16 1 1 A 24 24 GLN CA C 24 53.942 54.013 -0.071 1 1 201 . 16 1 1 A 24 24 GLN HA H 24 4.801 4.833 -0.032 1 1 202 . 16 1 1 A 24 24 GLN CB C 24 30.876 31.397 -0.521 1 1 211 . 16 1 1 A 24 24 GLN C C 24 177.011 176.181 0.830 1 1 212 . 16 1 1 A 25 25 ILE N N 25 126.235 125.053 1.182 1 1 213 . 16 1 1 A 25 25 ILE H H 25 8.690 8.676 0.014 1 1 214 . 16 1 1 A 25 25 ILE CA C 25 63.136 63.824 -0.688 1 1 215 . 16 1 1 A 25 25 ILE HA H 25 3.186 3.619 -0.433 1 1 216 . 16 1 1 A 25 25 ILE CB C 25 37.472 38.474 -1.002 1 1 229 . 16 1 1 A 25 25 ILE C C 25 176.863 177.956 -1.093 1 1 230 . 16 1 1 A 26 26 GLY N N 26 109.568 109.480 0.088 1 1 231 . 16 1 1 A 26 26 GLY H H 26 8.595 8.370 0.225 1 1 232 . 16 1 1 A 26 26 GLY CA C 26 46.804 47.289 -0.485 1 1 233 . 16 1 1 A 26 26 GLY HA2 H 26 3.837 3.666 0.171 1 1 234 . 16 1 1 A 26 26 GLY HA3 H 26 3.780 3.688 0.092 1 1 235 . 16 1 1 A 26 26 GLY C C 26 176.792 176.450 0.342 1 1 236 . 16 1 1 A 27 27 HIS N N 27 119.048 120.122 -1.074 1 1 237 . 16 1 1 A 27 27 HIS H H 27 6.921 7.882 -0.961 1 1 238 . 16 1 1 A 27 27 HIS CA C 27 57.080 58.432 -1.352 1 1 239 . 16 1 1 A 27 27 HIS HA H 27 4.482 4.655 -0.173 1 1 240 . 16 1 1 A 27 27 HIS CB C 27 31.775 30.215 1.560 1 1 247 . 16 1 1 A 27 27 HIS C C 27 178.571 178.131 0.440 1 1 248 . 16 1 1 A 28 28 LEU N N 28 122.327 120.653 1.674 1 1 249 . 16 1 1 A 28 28 LEU H H 28 6.954 7.971 -1.017 1 1 250 . 16 1 1 A 28 28 LEU CA C 28 57.735 57.232 0.503 1 1 251 . 16 1 1 A 28 28 LEU HA H 28 3.018 3.155 -0.137 1 1 252 . 16 1 1 A 28 28 LEU CB C 28 40.149 41.382 -1.233 1 1 265 . 16 1 1 A 28 28 LEU C C 28 177.665 178.678 -1.013 1 1 266 . 16 1 1 A 29 29 ASN N N 29 117.755 116.625 1.130 1 1 267 . 16 1 1 A 29 29 ASN H H 29 8.452 8.651 -0.199 1 1 268 . 16 1 1 A 29 29 ASN CA C 29 56.110 56.537 -0.427 1 1 269 . 16 1 1 A 29 29 ASN HA H 29 4.287 4.345 -0.058 1 1 270 . 16 1 1 A 29 29 ASN CB C 29 37.160 37.569 -0.409 1 1 276 . 16 1 1 A 29 29 ASN C C 29 178.326 177.364 0.962 1 1 277 . 16 1 1 A 30 30 GLN N N 30 118.797 118.495 0.302 1 1 278 . 16 1 1 A 30 30 GLN H H 30 7.759 7.572 0.187 1 1 279 . 16 1 1 A 30 30 GLN CA C 30 58.546 58.023 0.523 1 1 280 . 16 1 1 A 30 30 GLN HA H 30 4.030 4.056 -0.026 1 1 281 . 16 1 1 A 30 30 GLN CB C 30 28.693 28.650 0.043 1 1 290 . 16 1 1 A 30 30 GLN C C 30 178.121 177.806 0.315 1 1 291 . 16 1 1 A 31 31 HIS N N 31 119.702 119.641 0.061 1 1 292 . 16 1 1 A 31 31 HIS H H 31 7.664 7.785 -0.121 1 1 293 . 16 1 1 A 31 31 HIS CA C 31 58.885 57.784 1.101 1 1 294 . 16 1 1 A 31 31 HIS HA H 31 4.215 4.141 0.074 1 1 295 . 16 1 1 A 31 31 HIS CB C 31 28.494 30.336 -1.842 1 1 302 . 16 1 1 A 31 31 HIS C C 31 176.042 176.583 -0.541 1 1 303 . 16 1 1 A 32 32 LYS N N 32 115.824 117.327 -1.503 1 1 304 . 16 1 1 A 32 32 LYS H H 32 8.088 8.070 0.018 1 1 305 . 16 1 1 A 32 32 LYS CA C 32 60.123 58.451 1.672 1 1 306 . 16 1 1 A 32 32 LYS HA H 32 3.698 3.992 -0.294 1 1 307 . 16 1 1 A 32 32 LYS CB C 32 32.401 33.170 -0.769 1 1 319 . 16 1 1 A 32 32 LYS C C 32 177.823 178.090 -0.267 1 1 320 . 16 1 1 A 33 33 ARG N N 33 116.801 120.700 -3.899 1 1 321 . 16 1 1 A 33 33 ARG H H 33 7.063 8.196 -1.133 1 1 322 . 16 1 1 A 33 33 ARG CA C 33 58.202 57.991 0.211 1 1 323 . 16 1 1 A 33 33 ARG HA H 33 4.133 4.156 -0.023 1 1 324 . 16 1 1 A 33 33 ARG CB C 33 29.942 30.160 -0.218 1 1 332 . 16 1 1 A 33 33 ARG C C 33 178.364 177.998 0.366 1 1 333 . 16 1 1 A 34 34 VAL N N 34 116.485 117.601 -1.116 1 1 334 . 16 1 1 A 34 34 VAL H H 34 7.933 7.592 0.341 1 1 335 . 16 1 1 A 34 34 VAL CA C 34 63.948 65.359 -1.411 1 1 336 . 16 1 1 A 34 34 VAL HA H 34 3.873 3.745 0.128 1 1 337 . 16 1 1 A 34 34 VAL CB C 34 31.153 31.315 -0.162 1 1 347 . 16 1 1 A 34 34 VAL C C 34 177.213 177.911 -0.698 1 1 348 . 16 1 1 A 35 35 HIS N N 35 117.143 120.444 -3.301 1 1 349 . 16 1 1 A 35 35 HIS H H 35 7.182 7.969 -0.787 1 1 350 . 16 1 1 A 35 35 HIS CA C 35 55.134 59.085 -3.951 1 1 351 . 16 1 1 A 35 35 HIS HA H 35 4.836 4.174 0.662 1 1 352 . 16 1 1 A 35 35 HIS CB C 35 28.697 29.890 -1.193 1 1 359 . 16 1 1 A 35 35 HIS C C 35 175.649 178.018 -2.369 1 1 360 . 16 1 1 A 36 36 THR N N 36 112.212 114.514 -2.302 1 1 361 . 16 1 1 A 36 36 THR H H 36 7.779 7.866 -0.087 1 1 362 . 16 1 1 A 36 36 THR CA C 36 62.601 65.354 -2.753 1 1 363 . 16 1 1 A 36 36 THR HA H 36 4.335 3.980 0.355 1 1 364 . 16 1 1 A 36 36 THR CB C 36 69.772 68.591 1.181 1 1 370 . 16 1 1 A 36 36 THR C C 36 175.505 176.928 -1.423 1 1 371 . 16 1 1 A 37 37 GLY N N 37 110.726 107.798 2.928 1 1 372 . 16 1 1 A 37 37 GLY H H 37 8.300 8.004 0.296 1 1 373 . 16 1 1 A 37 37 GLY CA C 37 45.440 47.291 -1.851 1 1 374 . 16 1 1 A 37 37 GLY HA2 H 37 4.009 3.775 0.234 1 1 375 . 16 1 1 A 37 37 GLY HA3 H 37 3.935 3.781 0.154 1 1 376 . 16 1 1 A 37 37 GLY C C 37 174.308 174.520 -0.212 1 1 377 . 16 1 1 A 38 38 GLU N N 38 120.764 115.433 5.331 1 1 378 . 16 1 1 A 38 38 GLU H H 38 8.144 8.178 -0.034 1 1 379 . 16 1 1 A 38 38 GLU CA C 38 56.738 55.590 1.148 1 1 380 . 16 1 1 A 38 38 GLU HA H 38 4.240 4.364 -0.124 1 1 381 . 16 1 1 A 38 38 GLU CB C 38 30.407 28.889 1.518 1 1 387 . 16 1 1 A 38 38 GLU C C 38 176.615 175.874 0.741 1 1 388 . 16 1 1 A 39 39 ARG N N 39 121.903 122.625 -0.722 1 1 389 . 16 1 1 A 39 39 ARG H H 39 8.401 7.680 0.721 1 1 390 . 16 1 1 A 39 39 ARG CA C 39 56.022 56.102 -0.080 1 1 391 . 16 1 1 A 39 39 ARG HA H 39 4.372 4.724 -0.352 1 1 392 . 16 1 1 A 39 39 ARG CB C 39 30.822 31.523 -0.701 1 1 401 . 16 1 1 A 39 39 ARG C C 39 176.458 174.983 1.475 1 1 402 . 16 1 1 A 42 42 GLY CA C 42 44.688 46.932 -2.244 1 1 403 . 16 1 1 A 42 42 GLY HA2 H 42 4.120 3.933 0.187 1 1 404 . 16 1 1 A 42 42 GLY HA3 H 42 4.120 3.934 0.186 1 1 405 . 16 1 1 A 43 43 PRO CA C 43 63.243 63.941 -0.698 1 1 406 . 16 1 1 A 43 43 PRO HA H 43 4.464 4.518 -0.054 1 1 407 . 16 1 1 A 43 43 PRO CB C 43 32.210 31.997 0.213 1 1 1 . 17 1 1 A 9 9 GLY CA C 9 45.463 45.984 -0.521 1 1 2 . 17 1 1 A 9 9 GLY HA2 H 9 4.008 4.141 -0.133 1 1 3 . 17 1 1 A 9 9 GLY HA3 H 9 3.922 4.142 -0.220 1 1 4 . 17 1 1 A 9 9 GLY C C 9 173.883 171.771 2.112 1 1 5 . 17 1 1 A 10 10 LYS N N 10 120.890 122.684 -1.794 1 1 6 . 17 1 1 A 10 10 LYS H H 10 8.081 8.480 -0.399 1 1 7 . 17 1 1 A 10 10 LYS CA C 10 56.099 54.400 1.699 1 1 8 . 17 1 1 A 10 10 LYS HA H 10 4.257 5.086 -0.829 1 1 9 . 17 1 1 A 10 10 LYS CB C 10 33.091 35.451 -2.360 1 1 21 . 17 1 1 A 10 10 LYS C C 10 176.341 175.207 1.134 1 1 22 . 17 1 1 A 11 11 LYS N N 11 124.299 120.070 4.229 1 1 23 . 17 1 1 A 11 11 LYS H H 11 8.318 8.452 -0.134 1 1 24 . 17 1 1 A 11 11 LYS CA C 11 54.092 53.119 0.973 1 1 25 . 17 1 1 A 11 11 LYS HA H 11 4.516 4.786 -0.270 1 1 26 . 17 1 1 A 11 11 LYS CB C 11 32.429 34.924 -2.495 1 1 38 . 17 1 1 A 11 11 LYS C C 11 174.559 176.121 -1.562 1 1 39 . 17 1 1 A 12 12 PRO CA C 12 63.174 65.864 -2.690 1 1 40 . 17 1 1 A 12 12 PRO HA H 12 4.307 4.318 -0.011 1 1 41 . 17 1 1 A 12 12 PRO CB C 12 32.305 31.508 0.797 1 1 50 . 17 1 1 A 12 12 PRO C C 12 176.285 175.827 0.458 1 1 51 . 17 1 1 A 13 13 TYR N N 13 118.529 117.505 1.024 1 1 52 . 17 1 1 A 13 13 TYR H H 13 8.139 7.872 0.267 1 1 53 . 17 1 1 A 13 13 TYR CA C 13 57.904 57.059 0.845 1 1 54 . 17 1 1 A 13 13 TYR HA H 13 4.593 5.045 -0.452 1 1 55 . 17 1 1 A 13 13 TYR CB C 13 39.336 42.142 -2.806 1 1 66 . 17 1 1 A 13 13 TYR C C 13 174.790 174.848 -0.058 1 1 67 . 17 1 1 A 14 14 GLU N N 14 123.238 118.500 4.738 1 1 68 . 17 1 1 A 14 14 GLU H H 14 8.698 9.246 -0.548 1 1 69 . 17 1 1 A 14 14 GLU CA C 14 54.739 55.502 -0.763 1 1 70 . 17 1 1 A 14 14 GLU HA H 14 4.934 5.393 -0.459 1 1 71 . 17 1 1 A 14 14 GLU CB C 14 33.864 33.501 0.363 1 1 77 . 17 1 1 A 14 14 GLU C C 14 175.146 174.688 0.458 1 1 78 . 17 1 1 A 15 15 CYS N N 15 126.999 123.878 3.121 1 1 79 . 17 1 1 A 15 15 CYS H H 15 9.003 9.161 -0.158 1 1 80 . 17 1 1 A 15 15 CYS CA C 15 59.138 59.347 -0.209 1 1 81 . 17 1 1 A 15 15 CYS HA H 15 4.566 4.714 -0.148 1 1 82 . 17 1 1 A 15 15 CYS CB C 15 29.682 28.982 0.700 1 1 85 . 17 1 1 A 15 15 CYS C C 15 176.861 175.148 1.713 1 1 86 . 17 1 1 A 16 16 LYS CA C 16 58.521 56.572 1.949 1 1 87 . 17 1 1 A 16 16 LYS HA H 16 4.134 4.582 -0.448 1 1 88 . 17 1 1 A 16 16 LYS CB C 16 32.265 33.695 -1.430 1 1 100 . 17 1 1 A 16 16 LYS C C 16 176.983 177.800 -0.817 1 1 101 . 17 1 1 A 17 17 GLU N N 17 119.122 116.400 2.722 1 1 102 . 17 1 1 A 17 17 GLU H H 17 8.546 8.304 0.242 1 1 103 . 17 1 1 A 17 17 GLU CA C 17 58.320 58.573 -0.253 1 1 104 . 17 1 1 A 17 17 GLU HA H 17 4.177 4.486 -0.309 1 1 105 . 17 1 1 A 17 17 GLU CB C 17 29.439 30.612 -1.173 1 1 111 . 17 1 1 A 17 17 GLU C C 17 177.215 178.079 -0.864 1 1 112 . 17 1 1 A 18 18 CYS N N 18 115.644 116.315 -0.671 1 1 113 . 17 1 1 A 18 18 CYS H H 18 7.939 7.909 0.030 1 1 114 . 17 1 1 A 18 18 CYS CA C 18 58.632 58.594 0.038 1 1 115 . 17 1 1 A 18 18 CYS HA H 18 5.062 4.475 0.587 1 1 116 . 17 1 1 A 18 18 CYS CB C 18 31.808 27.364 4.444 1 1 119 . 17 1 1 A 18 18 CYS C C 18 175.151 174.075 1.076 1 1 120 . 17 1 1 A 19 19 ARG N N 19 116.788 116.718 0.070 1 1 121 . 17 1 1 A 19 19 ARG H H 19 8.171 7.962 0.209 1 1 122 . 17 1 1 A 19 19 ARG CA C 19 57.860 56.954 0.906 1 1 123 . 17 1 1 A 19 19 ARG HA H 19 4.148 4.074 0.074 1 1 124 . 17 1 1 A 19 19 ARG CB C 19 26.487 27.725 -1.238 1 1 133 . 17 1 1 A 19 19 ARG C C 19 175.492 174.489 1.003 1 1 134 . 17 1 1 A 20 20 LYS N N 20 121.616 118.924 2.692 1 1 135 . 17 1 1 A 20 20 LYS H H 20 7.920 8.013 -0.093 1 1 136 . 17 1 1 A 20 20 LYS CA C 20 58.019 55.203 2.816 1 1 137 . 17 1 1 A 20 20 LYS HA H 20 4.152 4.714 -0.562 1 1 138 . 17 1 1 A 20 20 LYS CB C 20 34.130 34.847 -0.717 1 1 150 . 17 1 1 A 20 20 LYS C C 20 175.066 176.325 -1.259 1 1 151 . 17 1 1 A 21 21 THR N N 21 110.534 116.040 -5.506 1 1 152 . 17 1 1 A 21 21 THR H H 21 7.580 8.450 -0.870 1 1 153 . 17 1 1 A 21 21 THR CA C 21 59.360 60.504 -1.144 1 1 154 . 17 1 1 A 21 21 THR HA H 21 5.208 5.491 -0.283 1 1 155 . 17 1 1 A 21 21 THR CB C 21 71.608 70.942 0.666 1 1 161 . 17 1 1 A 21 21 THR C C 21 173.627 173.600 0.027 1 1 162 . 17 1 1 A 22 22 PHE N N 22 116.966 118.044 -1.078 1 1 163 . 17 1 1 A 22 22 PHE H H 22 8.725 8.863 -0.138 1 1 164 . 17 1 1 A 22 22 PHE CA C 22 57.114 56.625 0.489 1 1 165 . 17 1 1 A 22 22 PHE HA H 22 4.819 4.959 -0.140 1 1 166 . 17 1 1 A 22 22 PHE CB C 22 44.195 42.807 1.388 1 1 179 . 17 1 1 A 22 22 PHE C C 22 175.176 175.765 -0.589 1 1 180 . 17 1 1 A 23 23 ILE N N 23 119.763 122.697 -2.934 1 1 181 . 17 1 1 A 23 23 ILE H H 23 9.199 8.566 0.633 1 1 182 . 17 1 1 A 23 23 ILE CA C 23 62.706 64.252 -1.546 1 1 183 . 17 1 1 A 23 23 ILE HA H 23 4.309 4.018 0.291 1 1 184 . 17 1 1 A 23 23 ILE CB C 23 38.932 37.891 1.041 1 1 197 . 17 1 1 A 23 23 ILE C C 23 176.059 176.406 -0.347 1 1 198 . 17 1 1 A 24 24 GLN N N 24 115.642 119.572 -3.930 1 1 199 . 17 1 1 A 24 24 GLN H H 24 7.544 7.852 -0.308 1 1 200 . 17 1 1 A 24 24 GLN CA C 24 53.942 54.213 -0.271 1 1 201 . 17 1 1 A 24 24 GLN HA H 24 4.801 4.755 0.046 1 1 202 . 17 1 1 A 24 24 GLN CB C 24 30.876 30.453 0.423 1 1 211 . 17 1 1 A 24 24 GLN C C 24 177.011 176.156 0.855 1 1 212 . 17 1 1 A 25 25 ILE N N 25 126.235 125.192 1.043 1 1 213 . 17 1 1 A 25 25 ILE H H 25 8.690 8.862 -0.172 1 1 214 . 17 1 1 A 25 25 ILE CA C 25 63.136 64.182 -1.046 1 1 215 . 17 1 1 A 25 25 ILE HA H 25 3.186 3.408 -0.222 1 1 216 . 17 1 1 A 25 25 ILE CB C 25 37.472 37.558 -0.086 1 1 229 . 17 1 1 A 25 25 ILE C C 25 176.863 177.899 -1.036 1 1 230 . 17 1 1 A 26 26 GLY N N 26 109.568 109.169 0.399 1 1 231 . 17 1 1 A 26 26 GLY H H 26 8.595 8.301 0.294 1 1 232 . 17 1 1 A 26 26 GLY CA C 26 46.804 47.292 -0.488 1 1 233 . 17 1 1 A 26 26 GLY HA2 H 26 3.837 3.720 0.117 1 1 234 . 17 1 1 A 26 26 GLY HA3 H 26 3.780 3.766 0.014 1 1 235 . 17 1 1 A 26 26 GLY C C 26 176.792 176.513 0.279 1 1 236 . 17 1 1 A 27 27 HIS N N 27 119.048 120.030 -0.982 1 1 237 . 17 1 1 A 27 27 HIS H H 27 6.921 8.011 -1.090 1 1 238 . 17 1 1 A 27 27 HIS CA C 27 57.080 58.360 -1.280 1 1 239 . 17 1 1 A 27 27 HIS HA H 27 4.482 4.557 -0.075 1 1 240 . 17 1 1 A 27 27 HIS CB C 27 31.775 30.034 1.741 1 1 247 . 17 1 1 A 27 27 HIS C C 27 178.571 177.874 0.697 1 1 248 . 17 1 1 A 28 28 LEU N N 28 122.327 120.648 1.679 1 1 249 . 17 1 1 A 28 28 LEU H H 28 6.954 7.900 -0.946 1 1 250 . 17 1 1 A 28 28 LEU CA C 28 57.735 57.508 0.227 1 1 251 . 17 1 1 A 28 28 LEU HA H 28 3.018 3.028 -0.010 1 1 252 . 17 1 1 A 28 28 LEU CB C 28 40.149 41.110 -0.961 1 1 265 . 17 1 1 A 28 28 LEU C C 28 177.665 178.328 -0.663 1 1 266 . 17 1 1 A 29 29 ASN N N 29 117.755 115.830 1.925 1 1 267 . 17 1 1 A 29 29 ASN H H 29 8.452 8.598 -0.146 1 1 268 . 17 1 1 A 29 29 ASN CA C 29 56.110 56.380 -0.270 1 1 269 . 17 1 1 A 29 29 ASN HA H 29 4.287 4.295 -0.008 1 1 270 . 17 1 1 A 29 29 ASN CB C 29 37.160 37.634 -0.474 1 1 276 . 17 1 1 A 29 29 ASN C C 29 178.326 177.610 0.716 1 1 277 . 17 1 1 A 30 30 GLN N N 30 118.797 119.791 -0.994 1 1 278 . 17 1 1 A 30 30 GLN H H 30 7.759 7.844 -0.085 1 1 279 . 17 1 1 A 30 30 GLN CA C 30 58.546 58.572 -0.026 1 1 280 . 17 1 1 A 30 30 GLN HA H 30 4.030 4.023 0.007 1 1 281 . 17 1 1 A 30 30 GLN CB C 30 28.693 28.251 0.442 1 1 290 . 17 1 1 A 30 30 GLN C C 30 178.121 178.506 -0.385 1 1 291 . 17 1 1 A 31 31 HIS N N 31 119.702 119.777 -0.075 1 1 292 . 17 1 1 A 31 31 HIS H H 31 7.664 7.860 -0.196 1 1 293 . 17 1 1 A 31 31 HIS CA C 31 58.885 59.403 -0.518 1 1 294 . 17 1 1 A 31 31 HIS HA H 31 4.215 4.045 0.170 1 1 295 . 17 1 1 A 31 31 HIS CB C 31 28.494 29.640 -1.146 1 1 302 . 17 1 1 A 31 31 HIS C C 31 176.042 177.149 -1.107 1 1 303 . 17 1 1 A 32 32 LYS N N 32 115.824 118.138 -2.314 1 1 304 . 17 1 1 A 32 32 LYS H H 32 8.088 8.146 -0.058 1 1 305 . 17 1 1 A 32 32 LYS CA C 32 60.123 59.593 0.530 1 1 306 . 17 1 1 A 32 32 LYS HA H 32 3.698 3.648 0.050 1 1 307 . 17 1 1 A 32 32 LYS CB C 32 32.401 31.919 0.482 1 1 319 . 17 1 1 A 32 32 LYS C C 32 177.823 179.261 -1.438 1 1 320 . 17 1 1 A 33 33 ARG N N 33 116.801 119.088 -2.287 1 1 321 . 17 1 1 A 33 33 ARG H H 33 7.063 7.937 -0.874 1 1 322 . 17 1 1 A 33 33 ARG CA C 33 58.202 58.353 -0.151 1 1 323 . 17 1 1 A 33 33 ARG HA H 33 4.133 4.086 0.047 1 1 324 . 17 1 1 A 33 33 ARG CB C 33 29.942 29.949 -0.007 1 1 332 . 17 1 1 A 33 33 ARG C C 33 178.364 178.347 0.017 1 1 333 . 17 1 1 A 34 34 VAL N N 34 116.485 120.487 -4.002 1 1 334 . 17 1 1 A 34 34 VAL H H 34 7.933 7.553 0.380 1 1 335 . 17 1 1 A 34 34 VAL CA C 34 63.948 66.053 -2.105 1 1 336 . 17 1 1 A 34 34 VAL HA H 34 3.873 3.606 0.267 1 1 337 . 17 1 1 A 34 34 VAL CB C 34 31.153 31.297 -0.144 1 1 347 . 17 1 1 A 34 34 VAL C C 34 177.213 178.086 -0.873 1 1 348 . 17 1 1 A 35 35 HIS N N 35 117.143 118.732 -1.589 1 1 349 . 17 1 1 A 35 35 HIS H H 35 7.182 7.450 -0.268 1 1 350 . 17 1 1 A 35 35 HIS CA C 35 55.134 58.383 -3.249 1 1 351 . 17 1 1 A 35 35 HIS HA H 35 4.836 4.367 0.469 1 1 352 . 17 1 1 A 35 35 HIS CB C 35 28.697 29.608 -0.911 1 1 359 . 17 1 1 A 35 35 HIS C C 35 175.649 175.817 -0.168 1 1 360 . 17 1 1 A 36 36 THR N N 36 112.212 108.527 3.685 1 1 361 . 17 1 1 A 36 36 THR H H 36 7.779 7.881 -0.102 1 1 362 . 17 1 1 A 36 36 THR CA C 36 62.601 61.171 1.430 1 1 363 . 17 1 1 A 36 36 THR HA H 36 4.335 4.467 -0.132 1 1 364 . 17 1 1 A 36 36 THR CB C 36 69.772 70.287 -0.515 1 1 370 . 17 1 1 A 36 36 THR C C 36 175.505 174.773 0.732 1 1 371 . 17 1 1 A 37 37 GLY N N 37 110.726 111.062 -0.336 1 1 372 . 17 1 1 A 37 37 GLY H H 37 8.300 8.741 -0.441 1 1 373 . 17 1 1 A 37 37 GLY CA C 37 45.440 47.255 -1.815 1 1 374 . 17 1 1 A 37 37 GLY HA2 H 37 4.009 3.851 0.158 1 1 375 . 17 1 1 A 37 37 GLY HA3 H 37 3.935 3.855 0.080 1 1 376 . 17 1 1 A 37 37 GLY C C 37 174.308 175.084 -0.776 1 1 377 . 17 1 1 A 38 38 GLU N N 38 120.764 119.655 1.109 1 1 378 . 17 1 1 A 38 38 GLU H H 38 8.144 8.277 -0.133 1 1 379 . 17 1 1 A 38 38 GLU CA C 38 56.738 57.404 -0.666 1 1 380 . 17 1 1 A 38 38 GLU HA H 38 4.240 4.006 0.234 1 1 381 . 17 1 1 A 38 38 GLU CB C 38 30.407 28.562 1.845 1 1 387 . 17 1 1 A 38 38 GLU C C 38 176.615 176.655 -0.040 1 1 388 . 17 1 1 A 39 39 ARG N N 39 121.903 121.159 0.744 1 1 389 . 17 1 1 A 39 39 ARG H H 39 8.401 7.979 0.422 1 1 390 . 17 1 1 A 39 39 ARG CA C 39 56.022 58.524 -2.502 1 1 391 . 17 1 1 A 39 39 ARG HA H 39 4.372 4.162 0.210 1 1 392 . 17 1 1 A 39 39 ARG CB C 39 30.822 30.552 0.270 1 1 401 . 17 1 1 A 39 39 ARG C C 39 176.458 176.981 -0.523 1 1 402 . 17 1 1 A 42 42 GLY CA C 42 44.688 46.697 -2.009 1 1 403 . 17 1 1 A 42 42 GLY HA2 H 42 4.120 3.877 0.243 1 1 404 . 17 1 1 A 42 42 GLY HA3 H 42 4.120 3.877 0.243 1 1 405 . 17 1 1 A 43 43 PRO CA C 43 63.243 62.782 0.461 1 1 406 . 17 1 1 A 43 43 PRO HA H 43 4.464 4.605 -0.141 1 1 407 . 17 1 1 A 43 43 PRO CB C 43 32.210 31.979 0.231 1 1 1 . 18 1 1 A 9 9 GLY CA C 9 45.463 45.944 -0.481 1 1 2 . 18 1 1 A 9 9 GLY HA2 H 9 4.008 4.177 -0.169 1 1 3 . 18 1 1 A 9 9 GLY HA3 H 9 3.922 4.178 -0.256 1 1 4 . 18 1 1 A 9 9 GLY C C 9 173.883 171.998 1.885 1 1 5 . 18 1 1 A 10 10 LYS N N 10 120.890 122.947 -2.057 1 1 6 . 18 1 1 A 10 10 LYS H H 10 8.081 8.793 -0.712 1 1 7 . 18 1 1 A 10 10 LYS CA C 10 56.099 54.657 1.442 1 1 8 . 18 1 1 A 10 10 LYS HA H 10 4.257 5.048 -0.791 1 1 9 . 18 1 1 A 10 10 LYS CB C 10 33.091 36.168 -3.077 1 1 21 . 18 1 1 A 10 10 LYS C C 10 176.341 175.350 0.991 1 1 22 . 18 1 1 A 11 11 LYS N N 11 124.299 125.478 -1.179 1 1 23 . 18 1 1 A 11 11 LYS H H 11 8.318 8.449 -0.131 1 1 24 . 18 1 1 A 11 11 LYS CA C 11 54.092 54.633 -0.541 1 1 25 . 18 1 1 A 11 11 LYS HA H 11 4.516 4.338 0.178 1 1 26 . 18 1 1 A 11 11 LYS CB C 11 32.429 31.684 0.745 1 1 38 . 18 1 1 A 11 11 LYS C C 11 174.559 176.904 -2.345 1 1 39 . 18 1 1 A 12 12 PRO CA C 12 63.174 65.733 -2.559 1 1 40 . 18 1 1 A 12 12 PRO HA H 12 4.307 4.249 0.058 1 1 41 . 18 1 1 A 12 12 PRO CB C 12 32.305 31.184 1.121 1 1 50 . 18 1 1 A 12 12 PRO C C 12 176.285 175.869 0.416 1 1 51 . 18 1 1 A 13 13 TYR N N 13 118.529 117.562 0.967 1 1 52 . 18 1 1 A 13 13 TYR H H 13 8.139 7.755 0.384 1 1 53 . 18 1 1 A 13 13 TYR CA C 13 57.904 57.364 0.540 1 1 54 . 18 1 1 A 13 13 TYR HA H 13 4.593 4.914 -0.321 1 1 55 . 18 1 1 A 13 13 TYR CB C 13 39.336 40.396 -1.060 1 1 66 . 18 1 1 A 13 13 TYR C C 13 174.790 175.438 -0.648 1 1 67 . 18 1 1 A 14 14 GLU N N 14 123.238 119.355 3.883 1 1 68 . 18 1 1 A 14 14 GLU H H 14 8.698 9.020 -0.322 1 1 69 . 18 1 1 A 14 14 GLU CA C 14 54.739 55.420 -0.681 1 1 70 . 18 1 1 A 14 14 GLU HA H 14 4.934 5.252 -0.318 1 1 71 . 18 1 1 A 14 14 GLU CB C 14 33.864 33.127 0.737 1 1 77 . 18 1 1 A 14 14 GLU C C 14 175.146 175.149 -0.003 1 1 78 . 18 1 1 A 15 15 CYS N N 15 126.999 124.549 2.450 1 1 79 . 18 1 1 A 15 15 CYS H H 15 9.003 8.991 0.012 1 1 80 . 18 1 1 A 15 15 CYS CA C 15 59.138 59.036 0.102 1 1 81 . 18 1 1 A 15 15 CYS HA H 15 4.566 4.454 0.112 1 1 82 . 18 1 1 A 15 15 CYS CB C 15 29.682 28.692 0.990 1 1 85 . 18 1 1 A 15 15 CYS C C 15 176.861 175.127 1.734 1 1 86 . 18 1 1 A 16 16 LYS CA C 16 58.521 57.771 0.750 1 1 87 . 18 1 1 A 16 16 LYS HA H 16 4.134 4.380 -0.246 1 1 88 . 18 1 1 A 16 16 LYS CB C 16 32.265 33.766 -1.501 1 1 100 . 18 1 1 A 16 16 LYS C C 16 176.983 177.965 -0.982 1 1 101 . 18 1 1 A 17 17 GLU N N 17 119.122 118.445 0.677 1 1 102 . 18 1 1 A 17 17 GLU H H 17 8.546 8.034 0.512 1 1 103 . 18 1 1 A 17 17 GLU CA C 17 58.320 58.288 0.032 1 1 104 . 18 1 1 A 17 17 GLU HA H 17 4.177 4.357 -0.180 1 1 105 . 18 1 1 A 17 17 GLU CB C 17 29.439 30.750 -1.311 1 1 111 . 18 1 1 A 17 17 GLU C C 17 177.215 178.762 -1.547 1 1 112 . 18 1 1 A 18 18 CYS N N 18 115.644 117.861 -2.217 1 1 113 . 18 1 1 A 18 18 CYS H H 18 7.939 8.037 -0.098 1 1 114 . 18 1 1 A 18 18 CYS CA C 18 58.632 60.276 -1.644 1 1 115 . 18 1 1 A 18 18 CYS HA H 18 5.062 4.449 0.613 1 1 116 . 18 1 1 A 18 18 CYS CB C 18 31.808 28.285 3.523 1 1 119 . 18 1 1 A 18 18 CYS C C 18 175.151 174.523 0.628 1 1 120 . 18 1 1 A 19 19 ARG N N 19 116.788 116.666 0.122 1 1 121 . 18 1 1 A 19 19 ARG H H 19 8.171 7.872 0.299 1 1 122 . 18 1 1 A 19 19 ARG CA C 19 57.860 57.058 0.802 1 1 123 . 18 1 1 A 19 19 ARG HA H 19 4.148 3.831 0.317 1 1 124 . 18 1 1 A 19 19 ARG CB C 19 26.487 27.283 -0.796 1 1 133 . 18 1 1 A 19 19 ARG C C 19 175.492 174.546 0.946 1 1 134 . 18 1 1 A 20 20 LYS N N 20 121.616 119.113 2.503 1 1 135 . 18 1 1 A 20 20 LYS H H 20 7.920 7.850 0.070 1 1 136 . 18 1 1 A 20 20 LYS CA C 20 58.019 55.980 2.039 1 1 137 . 18 1 1 A 20 20 LYS HA H 20 4.152 4.432 -0.280 1 1 138 . 18 1 1 A 20 20 LYS CB C 20 34.130 33.660 0.470 1 1 150 . 18 1 1 A 20 20 LYS C C 20 175.066 175.948 -0.882 1 1 151 . 18 1 1 A 21 21 THR N N 21 110.534 115.486 -4.952 1 1 152 . 18 1 1 A 21 21 THR H H 21 7.580 8.163 -0.583 1 1 153 . 18 1 1 A 21 21 THR CA C 21 59.360 59.950 -0.590 1 1 154 . 18 1 1 A 21 21 THR HA H 21 5.208 5.517 -0.309 1 1 155 . 18 1 1 A 21 21 THR CB C 21 71.608 71.334 0.274 1 1 161 . 18 1 1 A 21 21 THR C C 21 173.627 173.382 0.245 1 1 162 . 18 1 1 A 22 22 PHE N N 22 116.966 118.141 -1.175 1 1 163 . 18 1 1 A 22 22 PHE H H 22 8.725 8.671 0.054 1 1 164 . 18 1 1 A 22 22 PHE CA C 22 57.114 56.490 0.624 1 1 165 . 18 1 1 A 22 22 PHE HA H 22 4.819 4.784 0.035 1 1 166 . 18 1 1 A 22 22 PHE CB C 22 44.195 42.684 1.511 1 1 179 . 18 1 1 A 22 22 PHE C C 22 175.176 175.609 -0.433 1 1 180 . 18 1 1 A 23 23 ILE N N 23 119.763 123.389 -3.626 1 1 181 . 18 1 1 A 23 23 ILE H H 23 9.199 8.667 0.532 1 1 182 . 18 1 1 A 23 23 ILE CA C 23 62.706 64.800 -2.094 1 1 183 . 18 1 1 A 23 23 ILE HA H 23 4.309 3.831 0.478 1 1 184 . 18 1 1 A 23 23 ILE CB C 23 38.932 37.890 1.042 1 1 197 . 18 1 1 A 23 23 ILE C C 23 176.059 176.366 -0.307 1 1 198 . 18 1 1 A 24 24 GLN N N 24 115.642 119.575 -3.933 1 1 199 . 18 1 1 A 24 24 GLN H H 24 7.544 8.046 -0.502 1 1 200 . 18 1 1 A 24 24 GLN CA C 24 53.942 54.361 -0.419 1 1 201 . 18 1 1 A 24 24 GLN HA H 24 4.801 4.841 -0.040 1 1 202 . 18 1 1 A 24 24 GLN CB C 24 30.876 30.655 0.221 1 1 211 . 18 1 1 A 24 24 GLN C C 24 177.011 176.216 0.795 1 1 212 . 18 1 1 A 25 25 ILE N N 25 126.235 125.836 0.399 1 1 213 . 18 1 1 A 25 25 ILE H H 25 8.690 9.047 -0.357 1 1 214 . 18 1 1 A 25 25 ILE CA C 25 63.136 64.572 -1.436 1 1 215 . 18 1 1 A 25 25 ILE HA H 25 3.186 3.953 -0.767 1 1 216 . 18 1 1 A 25 25 ILE CB C 25 37.472 37.642 -0.170 1 1 229 . 18 1 1 A 25 25 ILE C C 25 176.863 178.107 -1.244 1 1 230 . 18 1 1 A 26 26 GLY N N 26 109.568 109.592 -0.024 1 1 231 . 18 1 1 A 26 26 GLY H H 26 8.595 8.290 0.305 1 1 232 . 18 1 1 A 26 26 GLY CA C 26 46.804 47.410 -0.606 1 1 233 . 18 1 1 A 26 26 GLY HA2 H 26 3.837 3.764 0.073 1 1 234 . 18 1 1 A 26 26 GLY HA3 H 26 3.780 3.790 -0.010 1 1 235 . 18 1 1 A 26 26 GLY C C 26 176.792 175.848 0.944 1 1 236 . 18 1 1 A 27 27 HIS N N 27 119.048 121.898 -2.850 1 1 237 . 18 1 1 A 27 27 HIS H H 27 6.921 8.190 -1.269 1 1 238 . 18 1 1 A 27 27 HIS CA C 27 57.080 59.243 -2.163 1 1 239 . 18 1 1 A 27 27 HIS HA H 27 4.482 4.154 0.328 1 1 240 . 18 1 1 A 27 27 HIS CB C 27 31.775 29.904 1.871 1 1 247 . 18 1 1 A 27 27 HIS C C 27 178.571 176.328 2.243 1 1 248 . 18 1 1 A 28 28 LEU N N 28 122.327 119.960 2.367 1 1 249 . 18 1 1 A 28 28 LEU H H 28 6.954 8.061 -1.107 1 1 250 . 18 1 1 A 28 28 LEU CA C 28 57.735 57.696 0.039 1 1 251 . 18 1 1 A 28 28 LEU HA H 28 3.018 3.050 -0.032 1 1 252 . 18 1 1 A 28 28 LEU CB C 28 40.149 41.260 -1.111 1 1 265 . 18 1 1 A 28 28 LEU C C 28 177.665 178.443 -0.778 1 1 266 . 18 1 1 A 29 29 ASN N N 29 117.755 116.016 1.739 1 1 267 . 18 1 1 A 29 29 ASN H H 29 8.452 8.688 -0.236 1 1 268 . 18 1 1 A 29 29 ASN CA C 29 56.110 56.338 -0.228 1 1 269 . 18 1 1 A 29 29 ASN HA H 29 4.287 4.270 0.017 1 1 270 . 18 1 1 A 29 29 ASN CB C 29 37.160 38.149 -0.989 1 1 276 . 18 1 1 A 29 29 ASN C C 29 178.326 177.328 0.998 1 1 277 . 18 1 1 A 30 30 GLN N N 30 118.797 118.334 0.463 1 1 278 . 18 1 1 A 30 30 GLN H H 30 7.759 7.339 0.420 1 1 279 . 18 1 1 A 30 30 GLN CA C 30 58.546 57.407 1.139 1 1 280 . 18 1 1 A 30 30 GLN HA H 30 4.030 4.332 -0.302 1 1 281 . 18 1 1 A 30 30 GLN CB C 30 28.693 29.566 -0.873 1 1 290 . 18 1 1 A 30 30 GLN C C 30 178.121 178.366 -0.245 1 1 291 . 18 1 1 A 31 31 HIS N N 31 119.702 120.639 -0.937 1 1 292 . 18 1 1 A 31 31 HIS H H 31 7.664 7.930 -0.266 1 1 293 . 18 1 1 A 31 31 HIS CA C 31 58.885 58.999 -0.114 1 1 294 . 18 1 1 A 31 31 HIS HA H 31 4.215 4.244 -0.029 1 1 295 . 18 1 1 A 31 31 HIS CB C 31 28.494 29.812 -1.318 1 1 302 . 18 1 1 A 31 31 HIS C C 31 176.042 176.968 -0.926 1 1 303 . 18 1 1 A 32 32 LYS N N 32 115.824 117.138 -1.314 1 1 304 . 18 1 1 A 32 32 LYS H H 32 8.088 8.543 -0.455 1 1 305 . 18 1 1 A 32 32 LYS CA C 32 60.123 57.187 2.936 1 1 306 . 18 1 1 A 32 32 LYS HA H 32 3.698 4.197 -0.499 1 1 307 . 18 1 1 A 32 32 LYS CB C 32 32.401 32.275 0.126 1 1 319 . 18 1 1 A 32 32 LYS C C 32 177.823 177.268 0.555 1 1 320 . 18 1 1 A 33 33 ARG N N 33 116.801 120.513 -3.712 1 1 321 . 18 1 1 A 33 33 ARG H H 33 7.063 8.395 -1.332 1 1 322 . 18 1 1 A 33 33 ARG CA C 33 58.202 58.516 -0.314 1 1 323 . 18 1 1 A 33 33 ARG HA H 33 4.133 4.154 -0.021 1 1 324 . 18 1 1 A 33 33 ARG CB C 33 29.942 30.309 -0.367 1 1 332 . 18 1 1 A 33 33 ARG C C 33 178.364 177.880 0.484 1 1 333 . 18 1 1 A 34 34 VAL N N 34 116.485 115.415 1.070 1 1 334 . 18 1 1 A 34 34 VAL H H 34 7.933 7.482 0.451 1 1 335 . 18 1 1 A 34 34 VAL CA C 34 63.948 64.841 -0.893 1 1 336 . 18 1 1 A 34 34 VAL HA H 34 3.873 3.946 -0.073 1 1 337 . 18 1 1 A 34 34 VAL CB C 34 31.153 31.718 -0.565 1 1 347 . 18 1 1 A 34 34 VAL C C 34 177.213 176.606 0.607 1 1 348 . 18 1 1 A 35 35 HIS N N 35 117.143 119.762 -2.619 1 1 349 . 18 1 1 A 35 35 HIS H H 35 7.182 7.838 -0.656 1 1 350 . 18 1 1 A 35 35 HIS CA C 35 55.134 54.757 0.377 1 1 351 . 18 1 1 A 35 35 HIS HA H 35 4.836 4.643 0.193 1 1 352 . 18 1 1 A 35 35 HIS CB C 35 28.697 27.411 1.286 1 1 359 . 18 1 1 A 35 35 HIS C C 35 175.649 174.440 1.209 1 1 360 . 18 1 1 A 36 36 THR N N 36 112.212 110.182 2.030 1 1 361 . 18 1 1 A 36 36 THR H H 36 7.779 8.311 -0.532 1 1 362 . 18 1 1 A 36 36 THR CA C 36 62.601 60.414 2.187 1 1 363 . 18 1 1 A 36 36 THR HA H 36 4.335 4.738 -0.403 1 1 364 . 18 1 1 A 36 36 THR CB C 36 69.772 69.683 0.089 1 1 370 . 18 1 1 A 36 36 THR C C 36 175.505 173.600 1.905 1 1 371 . 18 1 1 A 37 37 GLY N N 37 110.726 111.901 -1.175 1 1 372 . 18 1 1 A 37 37 GLY H H 37 8.300 8.310 -0.010 1 1 373 . 18 1 1 A 37 37 GLY CA C 37 45.440 45.104 0.336 1 1 374 . 18 1 1 A 37 37 GLY HA2 H 37 4.009 4.048 -0.039 1 1 375 . 18 1 1 A 37 37 GLY HA3 H 37 3.935 4.055 -0.120 1 1 376 . 18 1 1 A 37 37 GLY C C 37 174.308 174.756 -0.448 1 1 377 . 18 1 1 A 38 38 GLU N N 38 120.764 119.584 1.180 1 1 378 . 18 1 1 A 38 38 GLU H H 38 8.144 8.154 -0.010 1 1 379 . 18 1 1 A 38 38 GLU CA C 38 56.738 55.722 1.016 1 1 380 . 18 1 1 A 38 38 GLU HA H 38 4.240 4.324 -0.084 1 1 381 . 18 1 1 A 38 38 GLU CB C 38 30.407 30.634 -0.227 1 1 387 . 18 1 1 A 38 38 GLU C C 38 176.615 177.145 -0.530 1 1 388 . 18 1 1 A 39 39 ARG N N 39 121.903 120.450 1.453 1 1 389 . 18 1 1 A 39 39 ARG H H 39 8.401 8.653 -0.252 1 1 390 . 18 1 1 A 39 39 ARG CA C 39 56.022 59.601 -3.579 1 1 391 . 18 1 1 A 39 39 ARG HA H 39 4.372 3.914 0.458 1 1 392 . 18 1 1 A 39 39 ARG CB C 39 30.822 30.158 0.664 1 1 401 . 18 1 1 A 39 39 ARG C C 39 176.458 176.939 -0.481 1 1 402 . 18 1 1 A 42 42 GLY CA C 42 44.688 45.753 -1.065 1 1 403 . 18 1 1 A 42 42 GLY HA2 H 42 4.120 4.479 -0.359 1 1 404 . 18 1 1 A 42 42 GLY HA3 H 42 4.120 4.480 -0.360 1 1 405 . 18 1 1 A 43 43 PRO CA C 43 63.243 64.857 -1.614 1 1 406 . 18 1 1 A 43 43 PRO HA H 43 4.464 4.322 0.142 1 1 407 . 18 1 1 A 43 43 PRO CB C 43 32.210 32.032 0.178 1 1 1 . 19 1 1 A 9 9 GLY CA C 9 45.463 47.265 -1.802 1 1 2 . 19 1 1 A 9 9 GLY HA2 H 9 4.008 3.805 0.203 1 1 3 . 19 1 1 A 9 9 GLY HA3 H 9 3.922 3.806 0.116 1 1 4 . 19 1 1 A 9 9 GLY C C 9 173.883 175.011 -1.128 1 1 5 . 19 1 1 A 10 10 LYS N N 10 120.890 116.226 4.664 1 1 6 . 19 1 1 A 10 10 LYS H H 10 8.081 7.865 0.216 1 1 7 . 19 1 1 A 10 10 LYS CA C 10 56.099 57.198 -1.099 1 1 8 . 19 1 1 A 10 10 LYS HA H 10 4.257 3.771 0.486 1 1 9 . 19 1 1 A 10 10 LYS CB C 10 33.091 29.622 3.469 1 1 21 . 19 1 1 A 10 10 LYS C C 10 176.341 175.509 0.832 1 1 22 . 19 1 1 A 11 11 LYS N N 11 124.299 119.161 5.138 1 1 23 . 19 1 1 A 11 11 LYS H H 11 8.318 7.948 0.370 1 1 24 . 19 1 1 A 11 11 LYS CA C 11 54.092 53.997 0.095 1 1 25 . 19 1 1 A 11 11 LYS HA H 11 4.516 4.467 0.049 1 1 26 . 19 1 1 A 11 11 LYS CB C 11 32.429 31.888 0.541 1 1 38 . 19 1 1 A 11 11 LYS C C 11 174.559 176.282 -1.723 1 1 39 . 19 1 1 A 12 12 PRO CA C 12 63.174 65.812 -2.638 1 1 40 . 19 1 1 A 12 12 PRO HA H 12 4.307 4.278 0.029 1 1 41 . 19 1 1 A 12 12 PRO CB C 12 32.305 31.464 0.841 1 1 50 . 19 1 1 A 12 12 PRO C C 12 176.285 175.838 0.447 1 1 51 . 19 1 1 A 13 13 TYR N N 13 118.529 117.393 1.136 1 1 52 . 19 1 1 A 13 13 TYR H H 13 8.139 7.932 0.207 1 1 53 . 19 1 1 A 13 13 TYR CA C 13 57.904 56.834 1.070 1 1 54 . 19 1 1 A 13 13 TYR HA H 13 4.593 5.132 -0.539 1 1 55 . 19 1 1 A 13 13 TYR CB C 13 39.336 42.345 -3.009 1 1 66 . 19 1 1 A 13 13 TYR C C 13 174.790 174.747 0.043 1 1 67 . 19 1 1 A 14 14 GLU N N 14 123.238 118.430 4.808 1 1 68 . 19 1 1 A 14 14 GLU H H 14 8.698 9.259 -0.561 1 1 69 . 19 1 1 A 14 14 GLU CA C 14 54.739 55.203 -0.464 1 1 70 . 19 1 1 A 14 14 GLU HA H 14 4.934 5.367 -0.433 1 1 71 . 19 1 1 A 14 14 GLU CB C 14 33.864 33.532 0.332 1 1 77 . 19 1 1 A 14 14 GLU C C 14 175.146 174.596 0.550 1 1 78 . 19 1 1 A 15 15 CYS N N 15 126.999 123.492 3.507 1 1 79 . 19 1 1 A 15 15 CYS H H 15 9.003 9.433 -0.430 1 1 80 . 19 1 1 A 15 15 CYS CA C 15 59.138 59.181 -0.043 1 1 81 . 19 1 1 A 15 15 CYS HA H 15 4.566 4.713 -0.147 1 1 82 . 19 1 1 A 15 15 CYS CB C 15 29.682 29.057 0.625 1 1 85 . 19 1 1 A 15 15 CYS C C 15 176.861 174.612 2.249 1 1 86 . 19 1 1 A 16 16 LYS CA C 16 58.521 57.225 1.296 1 1 87 . 19 1 1 A 16 16 LYS HA H 16 4.134 4.479 -0.345 1 1 88 . 19 1 1 A 16 16 LYS CB C 16 32.265 34.353 -2.088 1 1 100 . 19 1 1 A 16 16 LYS C C 16 176.983 178.053 -1.070 1 1 101 . 19 1 1 A 17 17 GLU N N 17 119.122 118.704 0.418 1 1 102 . 19 1 1 A 17 17 GLU H H 17 8.546 8.026 0.520 1 1 103 . 19 1 1 A 17 17 GLU CA C 17 58.320 58.465 -0.145 1 1 104 . 19 1 1 A 17 17 GLU HA H 17 4.177 4.147 0.030 1 1 105 . 19 1 1 A 17 17 GLU CB C 17 29.439 29.880 -0.441 1 1 111 . 19 1 1 A 17 17 GLU C C 17 177.215 178.728 -1.513 1 1 112 . 19 1 1 A 18 18 CYS N N 18 115.644 117.306 -1.662 1 1 113 . 19 1 1 A 18 18 CYS H H 18 7.939 7.861 0.078 1 1 114 . 19 1 1 A 18 18 CYS CA C 18 58.632 60.040 -1.408 1 1 115 . 19 1 1 A 18 18 CYS HA H 18 5.062 4.457 0.605 1 1 116 . 19 1 1 A 18 18 CYS CB C 18 31.808 28.390 3.418 1 1 119 . 19 1 1 A 18 18 CYS C C 18 175.151 174.540 0.611 1 1 120 . 19 1 1 A 19 19 ARG N N 19 116.788 116.803 -0.015 1 1 121 . 19 1 1 A 19 19 ARG H H 19 8.171 7.933 0.238 1 1 122 . 19 1 1 A 19 19 ARG CA C 19 57.860 57.126 0.734 1 1 123 . 19 1 1 A 19 19 ARG HA H 19 4.148 3.891 0.257 1 1 124 . 19 1 1 A 19 19 ARG CB C 19 26.487 27.188 -0.701 1 1 133 . 19 1 1 A 19 19 ARG C C 19 175.492 174.399 1.093 1 1 134 . 19 1 1 A 20 20 LYS N N 20 121.616 118.706 2.910 1 1 135 . 19 1 1 A 20 20 LYS H H 20 7.920 7.921 -0.001 1 1 136 . 19 1 1 A 20 20 LYS CA C 20 58.019 54.818 3.201 1 1 137 . 19 1 1 A 20 20 LYS HA H 20 4.152 4.841 -0.689 1 1 138 . 19 1 1 A 20 20 LYS CB C 20 34.130 35.471 -1.341 1 1 150 . 19 1 1 A 20 20 LYS C C 20 175.066 176.314 -1.248 1 1 151 . 19 1 1 A 21 21 THR N N 21 110.534 114.669 -4.135 1 1 152 . 19 1 1 A 21 21 THR H H 21 7.580 8.437 -0.857 1 1 153 . 19 1 1 A 21 21 THR CA C 21 59.360 60.220 -0.860 1 1 154 . 19 1 1 A 21 21 THR HA H 21 5.208 5.497 -0.289 1 1 155 . 19 1 1 A 21 21 THR CB C 21 71.608 71.098 0.510 1 1 161 . 19 1 1 A 21 21 THR C C 21 173.627 173.691 -0.064 1 1 162 . 19 1 1 A 22 22 PHE N N 22 116.966 118.425 -1.459 1 1 163 . 19 1 1 A 22 22 PHE H H 22 8.725 8.881 -0.156 1 1 164 . 19 1 1 A 22 22 PHE CA C 22 57.114 56.367 0.747 1 1 165 . 19 1 1 A 22 22 PHE HA H 22 4.819 5.011 -0.192 1 1 166 . 19 1 1 A 22 22 PHE CB C 22 44.195 41.230 2.965 1 1 179 . 19 1 1 A 22 22 PHE C C 22 175.176 176.049 -0.873 1 1 180 . 19 1 1 A 23 23 ILE N N 23 119.763 124.976 -5.213 1 1 181 . 19 1 1 A 23 23 ILE H H 23 9.199 8.621 0.578 1 1 182 . 19 1 1 A 23 23 ILE CA C 23 62.706 65.303 -2.597 1 1 183 . 19 1 1 A 23 23 ILE HA H 23 4.309 3.834 0.475 1 1 184 . 19 1 1 A 23 23 ILE CB C 23 38.932 37.898 1.034 1 1 197 . 19 1 1 A 23 23 ILE C C 23 176.059 176.377 -0.318 1 1 198 . 19 1 1 A 24 24 GLN N N 24 115.642 119.286 -3.644 1 1 199 . 19 1 1 A 24 24 GLN H H 24 7.544 8.110 -0.566 1 1 200 . 19 1 1 A 24 24 GLN CA C 24 53.942 54.112 -0.170 1 1 201 . 19 1 1 A 24 24 GLN HA H 24 4.801 4.839 -0.038 1 1 202 . 19 1 1 A 24 24 GLN CB C 24 30.876 30.762 0.114 1 1 211 . 19 1 1 A 24 24 GLN C C 24 177.011 176.205 0.806 1 1 212 . 19 1 1 A 25 25 ILE N N 25 126.235 125.170 1.065 1 1 213 . 19 1 1 A 25 25 ILE H H 25 8.690 8.867 -0.177 1 1 214 . 19 1 1 A 25 25 ILE CA C 25 63.136 63.850 -0.714 1 1 215 . 19 1 1 A 25 25 ILE HA H 25 3.186 3.563 -0.377 1 1 216 . 19 1 1 A 25 25 ILE CB C 25 37.472 37.863 -0.391 1 1 229 . 19 1 1 A 25 25 ILE C C 25 176.863 177.780 -0.917 1 1 230 . 19 1 1 A 26 26 GLY N N 26 109.568 109.685 -0.117 1 1 231 . 19 1 1 A 26 26 GLY H H 26 8.595 8.301 0.294 1 1 232 . 19 1 1 A 26 26 GLY CA C 26 46.804 47.381 -0.577 1 1 233 . 19 1 1 A 26 26 GLY HA2 H 26 3.837 3.612 0.225 1 1 234 . 19 1 1 A 26 26 GLY HA3 H 26 3.780 3.685 0.095 1 1 235 . 19 1 1 A 26 26 GLY C C 26 176.792 176.221 0.571 1 1 236 . 19 1 1 A 27 27 HIS N N 27 119.048 120.121 -1.073 1 1 237 . 19 1 1 A 27 27 HIS H H 27 6.921 8.181 -1.260 1 1 238 . 19 1 1 A 27 27 HIS CA C 27 57.080 58.802 -1.722 1 1 239 . 19 1 1 A 27 27 HIS HA H 27 4.482 4.695 -0.213 1 1 240 . 19 1 1 A 27 27 HIS CB C 27 31.775 29.945 1.830 1 1 247 . 19 1 1 A 27 27 HIS C C 27 178.571 177.601 0.970 1 1 248 . 19 1 1 A 28 28 LEU N N 28 122.327 121.389 0.938 1 1 249 . 19 1 1 A 28 28 LEU H H 28 6.954 7.814 -0.860 1 1 250 . 19 1 1 A 28 28 LEU CA C 28 57.735 56.636 1.099 1 1 251 . 19 1 1 A 28 28 LEU HA H 28 3.018 3.296 -0.278 1 1 252 . 19 1 1 A 28 28 LEU CB C 28 40.149 42.109 -1.960 1 1 265 . 19 1 1 A 28 28 LEU C C 28 177.665 178.135 -0.470 1 1 266 . 19 1 1 A 29 29 ASN N N 29 117.755 116.365 1.390 1 1 267 . 19 1 1 A 29 29 ASN H H 29 8.452 8.390 0.062 1 1 268 . 19 1 1 A 29 29 ASN CA C 29 56.110 56.299 -0.189 1 1 269 . 19 1 1 A 29 29 ASN HA H 29 4.287 4.261 0.026 1 1 270 . 19 1 1 A 29 29 ASN CB C 29 37.160 38.326 -1.166 1 1 276 . 19 1 1 A 29 29 ASN C C 29 178.326 177.327 0.999 1 1 277 . 19 1 1 A 30 30 GLN N N 30 118.797 117.885 0.912 1 1 278 . 19 1 1 A 30 30 GLN H H 30 7.759 7.168 0.591 1 1 279 . 19 1 1 A 30 30 GLN CA C 30 58.546 57.694 0.852 1 1 280 . 19 1 1 A 30 30 GLN HA H 30 4.030 4.298 -0.268 1 1 281 . 19 1 1 A 30 30 GLN CB C 30 28.693 29.637 -0.944 1 1 290 . 19 1 1 A 30 30 GLN C C 30 178.121 178.162 -0.041 1 1 291 . 19 1 1 A 31 31 HIS N N 31 119.702 119.656 0.046 1 1 292 . 19 1 1 A 31 31 HIS H H 31 7.664 7.707 -0.043 1 1 293 . 19 1 1 A 31 31 HIS CA C 31 58.885 60.130 -1.245 1 1 294 . 19 1 1 A 31 31 HIS HA H 31 4.215 4.002 0.213 1 1 295 . 19 1 1 A 31 31 HIS CB C 31 28.494 29.961 -1.467 1 1 302 . 19 1 1 A 31 31 HIS C C 31 176.042 177.242 -1.200 1 1 303 . 19 1 1 A 32 32 LYS N N 32 115.824 117.387 -1.563 1 1 304 . 19 1 1 A 32 32 LYS H H 32 8.088 8.492 -0.404 1 1 305 . 19 1 1 A 32 32 LYS CA C 32 60.123 59.021 1.102 1 1 306 . 19 1 1 A 32 32 LYS HA H 32 3.698 4.042 -0.344 1 1 307 . 19 1 1 A 32 32 LYS CB C 32 32.401 32.238 0.163 1 1 319 . 19 1 1 A 32 32 LYS C C 32 177.823 178.026 -0.203 1 1 320 . 19 1 1 A 33 33 ARG N N 33 116.801 118.783 -1.982 1 1 321 . 19 1 1 A 33 33 ARG H H 33 7.063 7.928 -0.865 1 1 322 . 19 1 1 A 33 33 ARG CA C 33 58.202 58.739 -0.537 1 1 323 . 19 1 1 A 33 33 ARG HA H 33 4.133 4.084 0.049 1 1 324 . 19 1 1 A 33 33 ARG CB C 33 29.942 29.830 0.112 1 1 332 . 19 1 1 A 33 33 ARG C C 33 178.364 178.422 -0.058 1 1 333 . 19 1 1 A 34 34 VAL N N 34 116.485 120.833 -4.348 1 1 334 . 19 1 1 A 34 34 VAL H H 34 7.933 7.933 0.000 1 1 335 . 19 1 1 A 34 34 VAL CA C 34 63.948 66.282 -2.334 1 1 336 . 19 1 1 A 34 34 VAL HA H 34 3.873 3.559 0.314 1 1 337 . 19 1 1 A 34 34 VAL CB C 34 31.153 31.260 -0.107 1 1 347 . 19 1 1 A 34 34 VAL C C 34 177.213 177.915 -0.702 1 1 348 . 19 1 1 A 35 35 HIS N N 35 117.143 118.104 -0.961 1 1 349 . 19 1 1 A 35 35 HIS H H 35 7.182 7.622 -0.440 1 1 350 . 19 1 1 A 35 35 HIS CA C 35 55.134 58.839 -3.705 1 1 351 . 19 1 1 A 35 35 HIS HA H 35 4.836 4.241 0.595 1 1 352 . 19 1 1 A 35 35 HIS CB C 35 28.697 29.739 -1.042 1 1 359 . 19 1 1 A 35 35 HIS C C 35 175.649 176.134 -0.485 1 1 360 . 19 1 1 A 36 36 THR N N 36 112.212 114.037 -1.825 1 1 361 . 19 1 1 A 36 36 THR H H 36 7.779 7.685 0.094 1 1 362 . 19 1 1 A 36 36 THR CA C 36 62.601 64.732 -2.131 1 1 363 . 19 1 1 A 36 36 THR HA H 36 4.335 3.979 0.356 1 1 364 . 19 1 1 A 36 36 THR CB C 36 69.772 68.789 0.983 1 1 370 . 19 1 1 A 36 36 THR C C 36 175.505 174.900 0.605 1 1 371 . 19 1 1 A 37 37 GLY N N 37 110.726 111.404 -0.678 1 1 372 . 19 1 1 A 37 37 GLY H H 37 8.300 8.642 -0.342 1 1 373 . 19 1 1 A 37 37 GLY CA C 37 45.440 43.866 1.574 1 1 374 . 19 1 1 A 37 37 GLY HA2 H 37 4.009 4.159 -0.150 1 1 375 . 19 1 1 A 37 37 GLY HA3 H 37 3.935 4.160 -0.225 1 1 376 . 19 1 1 A 37 37 GLY C C 37 174.308 173.171 1.137 1 1 377 . 19 1 1 A 38 38 GLU N N 38 120.764 117.427 3.337 1 1 378 . 19 1 1 A 38 38 GLU H H 38 8.144 8.300 -0.156 1 1 379 . 19 1 1 A 38 38 GLU CA C 38 56.738 55.723 1.015 1 1 380 . 19 1 1 A 38 38 GLU HA H 38 4.240 5.014 -0.774 1 1 381 . 19 1 1 A 38 38 GLU CB C 38 30.407 30.561 -0.154 1 1 387 . 19 1 1 A 38 38 GLU C C 38 176.615 175.237 1.378 1 1 388 . 19 1 1 A 39 39 ARG N N 39 121.903 126.174 -4.271 1 1 389 . 19 1 1 A 39 39 ARG H H 39 8.401 8.752 -0.351 1 1 390 . 19 1 1 A 39 39 ARG CA C 39 56.022 54.917 1.105 1 1 391 . 19 1 1 A 39 39 ARG HA H 39 4.372 4.876 -0.504 1 1 392 . 19 1 1 A 39 39 ARG CB C 39 30.822 32.386 -1.564 1 1 401 . 19 1 1 A 39 39 ARG C C 39 176.458 175.504 0.954 1 1 402 . 19 1 1 A 42 42 GLY CA C 42 44.688 45.733 -1.045 1 1 403 . 19 1 1 A 42 42 GLY HA2 H 42 4.120 4.493 -0.373 1 1 404 . 19 1 1 A 42 42 GLY HA3 H 42 4.120 4.494 -0.374 1 1 405 . 19 1 1 A 43 43 PRO CA C 43 63.243 64.088 -0.845 1 1 406 . 19 1 1 A 43 43 PRO HA H 43 4.464 4.508 -0.044 1 1 407 . 19 1 1 A 43 43 PRO CB C 43 32.210 31.619 0.591 1 1 1 . 20 1 1 A 9 9 GLY CA C 9 45.463 45.118 0.345 1 1 2 . 20 1 1 A 9 9 GLY HA2 H 9 4.008 4.389 -0.381 1 1 3 . 20 1 1 A 9 9 GLY HA3 H 9 3.922 4.390 -0.468 1 1 4 . 20 1 1 A 9 9 GLY C C 9 173.883 171.848 2.035 1 1 5 . 20 1 1 A 10 10 LYS N N 10 120.890 123.907 -3.017 1 1 6 . 20 1 1 A 10 10 LYS H H 10 8.081 8.686 -0.605 1 1 7 . 20 1 1 A 10 10 LYS CA C 10 56.099 54.635 1.464 1 1 8 . 20 1 1 A 10 10 LYS HA H 10 4.257 4.885 -0.628 1 1 9 . 20 1 1 A 10 10 LYS CB C 10 33.091 34.650 -1.559 1 1 21 . 20 1 1 A 10 10 LYS C C 10 176.341 175.602 0.739 1 1 22 . 20 1 1 A 11 11 LYS N N 11 124.299 124.406 -0.107 1 1 23 . 20 1 1 A 11 11 LYS H H 11 8.318 8.671 -0.353 1 1 24 . 20 1 1 A 11 11 LYS CA C 11 54.092 54.499 -0.407 1 1 25 . 20 1 1 A 11 11 LYS HA H 11 4.516 4.462 0.054 1 1 26 . 20 1 1 A 11 11 LYS CB C 11 32.429 31.513 0.916 1 1 38 . 20 1 1 A 11 11 LYS C C 11 174.559 176.634 -2.075 1 1 39 . 20 1 1 A 12 12 PRO CA C 12 63.174 65.870 -2.696 1 1 40 . 20 1 1 A 12 12 PRO HA H 12 4.307 4.343 -0.036 1 1 41 . 20 1 1 A 12 12 PRO CB C 12 32.305 31.574 0.731 1 1 50 . 20 1 1 A 12 12 PRO C C 12 176.285 175.676 0.609 1 1 51 . 20 1 1 A 13 13 TYR N N 13 118.529 116.997 1.532 1 1 52 . 20 1 1 A 13 13 TYR H H 13 8.139 7.885 0.254 1 1 53 . 20 1 1 A 13 13 TYR CA C 13 57.904 56.551 1.353 1 1 54 . 20 1 1 A 13 13 TYR HA H 13 4.593 5.369 -0.776 1 1 55 . 20 1 1 A 13 13 TYR CB C 13 39.336 42.436 -3.100 1 1 66 . 20 1 1 A 13 13 TYR C C 13 174.790 174.790 0.000 1 1 67 . 20 1 1 A 14 14 GLU N N 14 123.238 119.131 4.107 1 1 68 . 20 1 1 A 14 14 GLU H H 14 8.698 9.008 -0.310 1 1 69 . 20 1 1 A 14 14 GLU CA C 14 54.739 55.107 -0.368 1 1 70 . 20 1 1 A 14 14 GLU HA H 14 4.934 5.059 -0.125 1 1 71 . 20 1 1 A 14 14 GLU CB C 14 33.864 32.404 1.460 1 1 77 . 20 1 1 A 14 14 GLU C C 14 175.146 175.470 -0.324 1 1 78 . 20 1 1 A 15 15 CYS N N 15 126.999 125.102 1.897 1 1 79 . 20 1 1 A 15 15 CYS H H 15 9.003 8.718 0.285 1 1 80 . 20 1 1 A 15 15 CYS CA C 15 59.138 59.988 -0.850 1 1 81 . 20 1 1 A 15 15 CYS HA H 15 4.566 4.507 0.059 1 1 82 . 20 1 1 A 15 15 CYS CB C 15 29.682 28.365 1.317 1 1 85 . 20 1 1 A 15 15 CYS C C 15 176.861 176.212 0.649 1 1 86 . 20 1 1 A 16 16 LYS CA C 16 58.521 56.934 1.587 1 1 87 . 20 1 1 A 16 16 LYS HA H 16 4.134 4.453 -0.319 1 1 88 . 20 1 1 A 16 16 LYS CB C 16 32.265 32.872 -0.607 1 1 100 . 20 1 1 A 16 16 LYS C C 16 176.983 177.457 -0.474 1 1 101 . 20 1 1 A 17 17 GLU N N 17 119.122 118.885 0.237 1 1 102 . 20 1 1 A 17 17 GLU H H 17 8.546 8.445 0.101 1 1 103 . 20 1 1 A 17 17 GLU CA C 17 58.320 57.952 0.368 1 1 104 . 20 1 1 A 17 17 GLU HA H 17 4.177 4.655 -0.478 1 1 105 . 20 1 1 A 17 17 GLU CB C 17 29.439 31.760 -2.321 1 1 111 . 20 1 1 A 17 17 GLU C C 17 177.215 177.940 -0.725 1 1 112 . 20 1 1 A 18 18 CYS N N 18 115.644 117.124 -1.480 1 1 113 . 20 1 1 A 18 18 CYS H H 18 7.939 8.142 -0.203 1 1 114 . 20 1 1 A 18 18 CYS CA C 18 58.632 59.155 -0.523 1 1 115 . 20 1 1 A 18 18 CYS HA H 18 5.062 4.555 0.507 1 1 116 . 20 1 1 A 18 18 CYS CB C 18 31.808 28.369 3.439 1 1 119 . 20 1 1 A 18 18 CYS C C 18 175.151 174.612 0.539 1 1 120 . 20 1 1 A 19 19 ARG N N 19 116.788 116.563 0.225 1 1 121 . 20 1 1 A 19 19 ARG H H 19 8.171 7.943 0.228 1 1 122 . 20 1 1 A 19 19 ARG CA C 19 57.860 57.164 0.696 1 1 123 . 20 1 1 A 19 19 ARG HA H 19 4.148 4.308 -0.160 1 1 124 . 20 1 1 A 19 19 ARG CB C 19 26.487 27.148 -0.661 1 1 133 . 20 1 1 A 19 19 ARG C C 19 175.492 174.139 1.353 1 1 134 . 20 1 1 A 20 20 LYS N N 20 121.616 119.032 2.584 1 1 135 . 20 1 1 A 20 20 LYS H H 20 7.920 7.872 0.048 1 1 136 . 20 1 1 A 20 20 LYS CA C 20 58.019 55.163 2.856 1 1 137 . 20 1 1 A 20 20 LYS HA H 20 4.152 4.714 -0.562 1 1 138 . 20 1 1 A 20 20 LYS CB C 20 34.130 34.271 -0.141 1 1 150 . 20 1 1 A 20 20 LYS C C 20 175.066 176.141 -1.075 1 1 151 . 20 1 1 A 21 21 THR N N 21 110.534 116.057 -5.523 1 1 152 . 20 1 1 A 21 21 THR H H 21 7.580 8.501 -0.921 1 1 153 . 20 1 1 A 21 21 THR CA C 21 59.360 61.023 -1.663 1 1 154 . 20 1 1 A 21 21 THR HA H 21 5.208 5.339 -0.131 1 1 155 . 20 1 1 A 21 21 THR CB C 21 71.608 70.546 1.062 1 1 161 . 20 1 1 A 21 21 THR C C 21 173.627 173.917 -0.290 1 1 162 . 20 1 1 A 22 22 PHE N N 22 116.966 118.847 -1.881 1 1 163 . 20 1 1 A 22 22 PHE H H 22 8.725 8.974 -0.249 1 1 164 . 20 1 1 A 22 22 PHE CA C 22 57.114 56.511 0.603 1 1 165 . 20 1 1 A 22 22 PHE HA H 22 4.819 5.045 -0.226 1 1 166 . 20 1 1 A 22 22 PHE CB C 22 44.195 41.009 3.186 1 1 179 . 20 1 1 A 22 22 PHE C C 22 175.176 176.075 -0.899 1 1 180 . 20 1 1 A 23 23 ILE N N 23 119.763 126.087 -6.324 1 1 181 . 20 1 1 A 23 23 ILE H H 23 9.199 8.659 0.540 1 1 182 . 20 1 1 A 23 23 ILE CA C 23 62.706 65.334 -2.628 1 1 183 . 20 1 1 A 23 23 ILE HA H 23 4.309 3.884 0.425 1 1 184 . 20 1 1 A 23 23 ILE CB C 23 38.932 38.030 0.902 1 1 197 . 20 1 1 A 23 23 ILE C C 23 176.059 176.567 -0.508 1 1 198 . 20 1 1 A 24 24 GLN N N 24 115.642 119.753 -4.111 1 1 199 . 20 1 1 A 24 24 GLN H H 24 7.544 8.109 -0.565 1 1 200 . 20 1 1 A 24 24 GLN CA C 24 53.942 54.229 -0.287 1 1 201 . 20 1 1 A 24 24 GLN HA H 24 4.801 4.832 -0.031 1 1 202 . 20 1 1 A 24 24 GLN CB C 24 30.876 31.783 -0.907 1 1 211 . 20 1 1 A 24 24 GLN C C 24 177.011 175.947 1.064 1 1 212 . 20 1 1 A 25 25 ILE N N 25 126.235 125.719 0.516 1 1 213 . 20 1 1 A 25 25 ILE H H 25 8.690 8.895 -0.205 1 1 214 . 20 1 1 A 25 25 ILE CA C 25 63.136 64.383 -1.247 1 1 215 . 20 1 1 A 25 25 ILE HA H 25 3.186 3.608 -0.422 1 1 216 . 20 1 1 A 25 25 ILE CB C 25 37.472 37.535 -0.063 1 1 229 . 20 1 1 A 25 25 ILE C C 25 176.863 178.034 -1.171 1 1 230 . 20 1 1 A 26 26 GLY N N 26 109.568 109.439 0.129 1 1 231 . 20 1 1 A 26 26 GLY H H 26 8.595 8.224 0.371 1 1 232 . 20 1 1 A 26 26 GLY CA C 26 46.804 47.314 -0.510 1 1 233 . 20 1 1 A 26 26 GLY HA2 H 26 3.837 3.672 0.165 1 1 234 . 20 1 1 A 26 26 GLY HA3 H 26 3.780 3.700 0.080 1 1 235 . 20 1 1 A 26 26 GLY C C 26 176.792 176.420 0.372 1 1 236 . 20 1 1 A 27 27 HIS N N 27 119.048 120.205 -1.157 1 1 237 . 20 1 1 A 27 27 HIS H H 27 6.921 7.882 -0.961 1 1 238 . 20 1 1 A 27 27 HIS CA C 27 57.080 58.617 -1.537 1 1 239 . 20 1 1 A 27 27 HIS HA H 27 4.482 4.678 -0.196 1 1 240 . 20 1 1 A 27 27 HIS CB C 27 31.775 30.113 1.662 1 1 247 . 20 1 1 A 27 27 HIS C C 27 178.571 178.316 0.255 1 1 248 . 20 1 1 A 28 28 LEU N N 28 122.327 120.836 1.491 1 1 249 . 20 1 1 A 28 28 LEU H H 28 6.954 7.962 -1.008 1 1 250 . 20 1 1 A 28 28 LEU CA C 28 57.735 57.322 0.413 1 1 251 . 20 1 1 A 28 28 LEU HA H 28 3.018 2.949 0.069 1 1 252 . 20 1 1 A 28 28 LEU CB C 28 40.149 41.322 -1.173 1 1 265 . 20 1 1 A 28 28 LEU C C 28 177.665 178.288 -0.623 1 1 266 . 20 1 1 A 29 29 ASN N N 29 117.755 116.147 1.608 1 1 267 . 20 1 1 A 29 29 ASN H H 29 8.452 8.779 -0.327 1 1 268 . 20 1 1 A 29 29 ASN CA C 29 56.110 56.377 -0.267 1 1 269 . 20 1 1 A 29 29 ASN HA H 29 4.287 4.276 0.011 1 1 270 . 20 1 1 A 29 29 ASN CB C 29 37.160 37.608 -0.448 1 1 276 . 20 1 1 A 29 29 ASN C C 29 178.326 178.386 -0.060 1 1 277 . 20 1 1 A 30 30 GLN N N 30 118.797 117.696 1.101 1 1 278 . 20 1 1 A 30 30 GLN H H 30 7.759 7.776 -0.017 1 1 279 . 20 1 1 A 30 30 GLN CA C 30 58.546 58.811 -0.265 1 1 280 . 20 1 1 A 30 30 GLN HA H 30 4.030 4.026 0.004 1 1 281 . 20 1 1 A 30 30 GLN CB C 30 28.693 28.495 0.198 1 1 290 . 20 1 1 A 30 30 GLN C C 30 178.121 178.125 -0.004 1 1 291 . 20 1 1 A 31 31 HIS N N 31 119.702 120.274 -0.572 1 1 292 . 20 1 1 A 31 31 HIS H H 31 7.664 7.765 -0.101 1 1 293 . 20 1 1 A 31 31 HIS CA C 31 58.885 59.997 -1.112 1 1 294 . 20 1 1 A 31 31 HIS HA H 31 4.215 4.197 0.018 1 1 295 . 20 1 1 A 31 31 HIS CB C 31 28.494 29.592 -1.098 1 1 302 . 20 1 1 A 31 31 HIS C C 31 176.042 176.568 -0.526 1 1 303 . 20 1 1 A 32 32 LYS N N 32 115.824 117.039 -1.215 1 1 304 . 20 1 1 A 32 32 LYS H H 32 8.088 7.903 0.185 1 1 305 . 20 1 1 A 32 32 LYS CA C 32 60.123 59.625 0.498 1 1 306 . 20 1 1 A 32 32 LYS HA H 32 3.698 3.886 -0.188 1 1 307 . 20 1 1 A 32 32 LYS CB C 32 32.401 32.193 0.208 1 1 319 . 20 1 1 A 32 32 LYS C C 32 177.823 179.697 -1.874 1 1 320 . 20 1 1 A 33 33 ARG N N 33 116.801 119.666 -2.865 1 1 321 . 20 1 1 A 33 33 ARG H H 33 7.063 8.177 -1.114 1 1 322 . 20 1 1 A 33 33 ARG CA C 33 58.202 59.288 -1.086 1 1 323 . 20 1 1 A 33 33 ARG HA H 33 4.133 4.030 0.103 1 1 324 . 20 1 1 A 33 33 ARG CB C 33 29.942 30.557 -0.615 1 1 332 . 20 1 1 A 33 33 ARG C C 33 178.364 178.892 -0.528 1 1 333 . 20 1 1 A 34 34 VAL N N 34 116.485 116.506 -0.021 1 1 334 . 20 1 1 A 34 34 VAL H H 34 7.933 7.713 0.220 1 1 335 . 20 1 1 A 34 34 VAL CA C 34 63.948 65.338 -1.390 1 1 336 . 20 1 1 A 34 34 VAL HA H 34 3.873 3.771 0.102 1 1 337 . 20 1 1 A 34 34 VAL CB C 34 31.153 31.218 -0.065 1 1 347 . 20 1 1 A 34 34 VAL C C 34 177.213 177.870 -0.657 1 1 348 . 20 1 1 A 35 35 HIS N N 35 117.143 119.596 -2.453 1 1 349 . 20 1 1 A 35 35 HIS H H 35 7.182 6.984 0.198 1 1 350 . 20 1 1 A 35 35 HIS CA C 35 55.134 58.977 -3.843 1 1 351 . 20 1 1 A 35 35 HIS HA H 35 4.836 4.379 0.457 1 1 352 . 20 1 1 A 35 35 HIS CB C 35 28.697 30.354 -1.657 1 1 359 . 20 1 1 A 35 35 HIS C C 35 175.649 175.733 -0.084 1 1 360 . 20 1 1 A 36 36 THR N N 36 112.212 109.664 2.548 1 1 361 . 20 1 1 A 36 36 THR H H 36 7.779 7.390 0.389 1 1 362 . 20 1 1 A 36 36 THR CA C 36 62.601 62.477 0.124 1 1 363 . 20 1 1 A 36 36 THR HA H 36 4.335 4.241 0.094 1 1 364 . 20 1 1 A 36 36 THR CB C 36 69.772 68.241 1.531 1 1 370 . 20 1 1 A 36 36 THR C C 36 175.505 174.478 1.027 1 1 371 . 20 1 1 A 37 37 GLY N N 37 110.726 111.173 -0.447 1 1 372 . 20 1 1 A 37 37 GLY H H 37 8.300 8.045 0.255 1 1 373 . 20 1 1 A 37 37 GLY CA C 37 45.440 45.465 -0.025 1 1 374 . 20 1 1 A 37 37 GLY HA2 H 37 4.009 4.152 -0.143 1 1 375 . 20 1 1 A 37 37 GLY HA3 H 37 3.935 4.155 -0.220 1 1 376 . 20 1 1 A 37 37 GLY C C 37 174.308 172.310 1.998 1 1 377 . 20 1 1 A 38 38 GLU N N 38 120.764 123.561 -2.797 1 1 378 . 20 1 1 A 38 38 GLU H H 38 8.144 8.377 -0.233 1 1 379 . 20 1 1 A 38 38 GLU CA C 38 56.738 56.894 -0.156 1 1 380 . 20 1 1 A 38 38 GLU HA H 38 4.240 4.392 -0.152 1 1 381 . 20 1 1 A 38 38 GLU CB C 38 30.407 30.594 -0.187 1 1 387 . 20 1 1 A 38 38 GLU C C 38 176.615 176.189 0.426 1 1 388 . 20 1 1 A 39 39 ARG N N 39 121.903 123.918 -2.015 1 1 389 . 20 1 1 A 39 39 ARG H H 39 8.401 8.785 -0.384 1 1 390 . 20 1 1 A 39 39 ARG CA C 39 56.022 54.880 1.142 1 1 391 . 20 1 1 A 39 39 ARG HA H 39 4.372 5.034 -0.662 1 1 392 . 20 1 1 A 39 39 ARG CB C 39 30.822 33.355 -2.533 1 1 401 . 20 1 1 A 39 39 ARG C C 39 176.458 175.092 1.366 1 1 402 . 20 1 1 A 42 42 GLY CA C 42 44.688 43.761 0.927 1 1 403 . 20 1 1 A 42 42 GLY HA2 H 42 4.120 4.377 -0.257 1 1 404 . 20 1 1 A 42 42 GLY HA3 H 42 4.120 4.378 -0.258 1 1 405 . 20 1 1 A 43 43 PRO CA C 43 63.243 64.627 -1.384 1 1 406 . 20 1 1 A 43 43 PRO HA H 43 4.464 4.457 0.007 1 1 407 . 20 1 1 A 43 43 PRO CB C 43 32.210 32.232 -0.022 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 31 0.978 1 2 1 1 1 "RMS(OBS, PRED)" CA 33 1.403 1 3 1 1 1 "RMS(OBS, PRED)" CB 29 1.347 1 4 1 1 1 "RMS(OBS, PRED)" H 28 0.497 1 5 1 1 1 "RMS(OBS, PRED)" HA 37 0.278 1 6 1 1 1 "RMS(OBS, PRED)" N 28 2.782 1 7 1 2 1 "RMS(OBS, PRED)" C 31 0.972 1 8 1 2 1 "RMS(OBS, PRED)" CA 33 1.259 1 9 1 2 1 "RMS(OBS, PRED)" CB 29 1.440 1 10 1 2 1 "RMS(OBS, PRED)" H 28 0.469 1 11 1 2 1 "RMS(OBS, PRED)" HA 37 0.269 1 12 1 2 1 "RMS(OBS, PRED)" N 28 2.097 1 13 1 3 1 "RMS(OBS, PRED)" C 31 1.101 1 14 1 3 1 "RMS(OBS, PRED)" CA 33 1.379 1 15 1 3 1 "RMS(OBS, PRED)" CB 29 1.429 1 16 1 3 1 "RMS(OBS, PRED)" H 28 0.496 1 17 1 3 1 "RMS(OBS, PRED)" HA 37 0.323 1 18 1 3 1 "RMS(OBS, PRED)" N 28 2.827 1 19 1 4 1 "RMS(OBS, PRED)" C 31 1.022 1 20 1 4 1 "RMS(OBS, PRED)" CA 33 1.616 1 21 1 4 1 "RMS(OBS, PRED)" CB 29 1.607 1 22 1 4 1 "RMS(OBS, PRED)" H 28 0.466 1 23 1 4 1 "RMS(OBS, PRED)" HA 37 0.278 1 24 1 4 1 "RMS(OBS, PRED)" N 28 3.140 1 25 1 5 1 "RMS(OBS, PRED)" C 31 0.936 1 26 1 5 1 "RMS(OBS, PRED)" CA 33 1.408 1 27 1 5 1 "RMS(OBS, PRED)" CB 29 1.434 1 28 1 5 1 "RMS(OBS, PRED)" H 28 0.507 1 29 1 5 1 "RMS(OBS, PRED)" HA 37 0.260 1 30 1 5 1 "RMS(OBS, PRED)" N 28 2.754 1 31 1 6 1 "RMS(OBS, PRED)" C 31 1.188 1 32 1 6 1 "RMS(OBS, PRED)" CA 33 1.448 1 33 1 6 1 "RMS(OBS, PRED)" CB 29 1.432 1 34 1 6 1 "RMS(OBS, PRED)" H 28 0.544 1 35 1 6 1 "RMS(OBS, PRED)" HA 37 0.353 1 36 1 6 1 "RMS(OBS, PRED)" N 28 2.348 1 37 1 7 1 "RMS(OBS, PRED)" C 31 0.955 1 38 1 7 1 "RMS(OBS, PRED)" CA 33 1.483 1 39 1 7 1 "RMS(OBS, PRED)" CB 29 1.301 1 40 1 7 1 "RMS(OBS, PRED)" H 28 0.483 1 41 1 7 1 "RMS(OBS, PRED)" HA 37 0.296 1 42 1 7 1 "RMS(OBS, PRED)" N 28 2.262 1 43 1 8 1 "RMS(OBS, PRED)" C 31 0.937 1 44 1 8 1 "RMS(OBS, PRED)" CA 33 1.149 1 45 1 8 1 "RMS(OBS, PRED)" CB 29 1.265 1 46 1 8 1 "RMS(OBS, PRED)" H 28 0.554 1 47 1 8 1 "RMS(OBS, PRED)" HA 37 0.269 1 48 1 8 1 "RMS(OBS, PRED)" N 28 2.372 1 49 1 9 1 "RMS(OBS, PRED)" C 31 1.020 1 50 1 9 1 "RMS(OBS, PRED)" CA 33 1.589 1 51 1 9 1 "RMS(OBS, PRED)" CB 29 1.454 1 52 1 9 1 "RMS(OBS, PRED)" H 28 0.559 1 53 1 9 1 "RMS(OBS, PRED)" HA 37 0.302 1 54 1 9 1 "RMS(OBS, PRED)" N 28 2.443 1 55 1 10 1 "RMS(OBS, PRED)" C 31 1.073 1 56 1 10 1 "RMS(OBS, PRED)" CA 33 1.454 1 57 1 10 1 "RMS(OBS, PRED)" CB 29 1.384 1 58 1 10 1 "RMS(OBS, PRED)" H 28 0.464 1 59 1 10 1 "RMS(OBS, PRED)" HA 37 0.318 1 60 1 10 1 "RMS(OBS, PRED)" N 28 3.032 1 61 1 11 1 "RMS(OBS, PRED)" C 31 0.872 1 62 1 11 1 "RMS(OBS, PRED)" CA 33 1.397 1 63 1 11 1 "RMS(OBS, PRED)" CB 29 1.414 1 64 1 11 1 "RMS(OBS, PRED)" H 28 0.460 1 65 1 11 1 "RMS(OBS, PRED)" HA 37 0.245 1 66 1 11 1 "RMS(OBS, PRED)" N 28 2.309 1 67 1 12 1 "RMS(OBS, PRED)" C 31 1.028 1 68 1 12 1 "RMS(OBS, PRED)" CA 33 1.606 1 69 1 12 1 "RMS(OBS, PRED)" CB 29 1.552 1 70 1 12 1 "RMS(OBS, PRED)" H 28 0.598 1 71 1 12 1 "RMS(OBS, PRED)" HA 37 0.271 1 72 1 12 1 "RMS(OBS, PRED)" N 28 2.599 1 73 1 13 1 "RMS(OBS, PRED)" C 31 0.944 1 74 1 13 1 "RMS(OBS, PRED)" CA 33 1.709 1 75 1 13 1 "RMS(OBS, PRED)" CB 29 1.438 1 76 1 13 1 "RMS(OBS, PRED)" H 28 0.529 1 77 1 13 1 "RMS(OBS, PRED)" HA 37 0.301 1 78 1 13 1 "RMS(OBS, PRED)" N 28 2.359 1 79 1 14 1 "RMS(OBS, PRED)" C 31 0.989 1 80 1 14 1 "RMS(OBS, PRED)" CA 33 1.327 1 81 1 14 1 "RMS(OBS, PRED)" CB 29 1.427 1 82 1 14 1 "RMS(OBS, PRED)" H 28 0.491 1 83 1 14 1 "RMS(OBS, PRED)" HA 37 0.271 1 84 1 14 1 "RMS(OBS, PRED)" N 28 3.153 1 85 1 15 1 "RMS(OBS, PRED)" C 31 1.083 1 86 1 15 1 "RMS(OBS, PRED)" CA 33 1.436 1 87 1 15 1 "RMS(OBS, PRED)" CB 29 1.439 1 88 1 15 1 "RMS(OBS, PRED)" H 28 0.572 1 89 1 15 1 "RMS(OBS, PRED)" HA 37 0.326 1 90 1 15 1 "RMS(OBS, PRED)" N 28 2.419 1 91 1 16 1 "RMS(OBS, PRED)" C 31 0.989 1 92 1 16 1 "RMS(OBS, PRED)" CA 33 1.556 1 93 1 16 1 "RMS(OBS, PRED)" CB 29 1.378 1 94 1 16 1 "RMS(OBS, PRED)" H 28 0.505 1 95 1 16 1 "RMS(OBS, PRED)" HA 37 0.315 1 96 1 16 1 "RMS(OBS, PRED)" N 28 2.359 1 97 1 17 1 "RMS(OBS, PRED)" C 31 0.933 1 98 1 17 1 "RMS(OBS, PRED)" CA 33 1.417 1 99 1 17 1 "RMS(OBS, PRED)" CB 29 1.468 1 100 1 17 1 "RMS(OBS, PRED)" H 28 0.456 1 101 1 17 1 "RMS(OBS, PRED)" HA 37 0.293 1 102 1 17 1 "RMS(OBS, PRED)" N 28 2.577 1 103 1 18 1 "RMS(OBS, PRED)" C 31 1.107 1 104 1 18 1 "RMS(OBS, PRED)" CA 33 1.413 1 105 1 18 1 "RMS(OBS, PRED)" CB 29 1.275 1 106 1 18 1 "RMS(OBS, PRED)" H 28 0.556 1 107 1 18 1 "RMS(OBS, PRED)" HA 37 0.321 1 108 1 18 1 "RMS(OBS, PRED)" N 28 2.312 1 109 1 19 1 "RMS(OBS, PRED)" C 31 0.976 1 110 1 19 1 "RMS(OBS, PRED)" CA 33 1.525 1 111 1 19 1 "RMS(OBS, PRED)" CB 29 1.557 1 112 1 19 1 "RMS(OBS, PRED)" H 28 0.496 1 113 1 19 1 "RMS(OBS, PRED)" HA 37 0.354 1 114 1 19 1 "RMS(OBS, PRED)" N 28 2.863 1 115 1 20 1 "RMS(OBS, PRED)" C 31 0.996 1 116 1 20 1 "RMS(OBS, PRED)" CA 33 1.392 1 117 1 20 1 "RMS(OBS, PRED)" CB 29 1.533 1 118 1 20 1 "RMS(OBS, PRED)" H 28 0.486 1 119 1 20 1 "RMS(OBS, PRED)" HA 37 0.323 1 120 1 20 1 "RMS(OBS, PRED)" N 28 2.539 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 9 9 GLY CA C 9 45.463 45.694 -0.231 2 1 2 . 1 1 A 9 9 GLY HA2 H 9 4.008 4.088 -0.081 2 1 3 . 1 1 A 9 9 GLY HA3 H 9 3.922 4.090 -0.168 2 1 4 . 1 1 A 9 9 GLY C C 9 173.883 173.270 0.613 2 1 5 . 1 1 A 10 10 LYS N N 10 120.890 121.199 -0.309 2 1 6 . 1 1 A 10 10 LYS H H 10 8.081 8.457 -0.376 2 1 7 . 1 1 A 10 10 LYS CA C 10 56.099 55.644 0.455 2 1 8 . 1 1 A 10 10 LYS HA H 10 4.257 4.573 -0.316 2 1 9 . 1 1 A 10 10 LYS CB C 10 33.091 32.926 0.165 2 1 21 . 1 1 A 10 10 LYS C C 10 176.341 175.538 0.803 2 1 22 . 1 1 A 11 11 LYS N N 11 124.299 121.874 2.425 2 1 23 . 1 1 A 11 11 LYS H H 11 8.318 8.086 0.231 2 1 24 . 1 1 A 11 11 LYS CA C 11 54.092 53.928 0.164 2 1 25 . 1 1 A 11 11 LYS HA H 11 4.516 4.655 -0.139 2 1 26 . 1 1 A 11 11 LYS CB C 11 32.429 33.304 -0.875 2 1 38 . 1 1 A 11 11 LYS C C 11 174.559 176.242 -1.683 2 1 39 . 1 1 A 12 12 PRO CA C 12 63.174 65.838 -2.664 2 1 40 . 1 1 A 12 12 PRO HA H 12 4.307 4.312 -0.005 2 1 41 . 1 1 A 12 12 PRO CB C 12 32.305 31.468 0.837 2 1 50 . 1 1 A 12 12 PRO C C 12 176.285 175.806 0.479 2 1 51 . 1 1 A 13 13 TYR N N 13 118.529 117.236 1.293 2 1 52 . 1 1 A 13 13 TYR H H 13 8.139 7.917 0.222 2 1 53 . 1 1 A 13 13 TYR CA C 13 57.904 56.893 1.011 2 1 54 . 1 1 A 13 13 TYR HA H 13 4.593 5.167 -0.574 2 1 55 . 1 1 A 13 13 TYR CB C 13 39.336 42.041 -2.705 2 1 66 . 1 1 A 13 13 TYR C C 13 174.790 174.785 0.005 2 1 67 . 1 1 A 14 14 GLU N N 14 123.238 119.633 3.605 2 1 68 . 1 1 A 14 14 GLU H H 14 8.698 9.088 -0.390 2 1 69 . 1 1 A 14 14 GLU CA C 14 54.739 55.317 -0.578 2 1 70 . 1 1 A 14 14 GLU HA H 14 4.934 5.151 -0.217 2 1 71 . 1 1 A 14 14 GLU CB C 14 33.864 33.199 0.665 2 1 77 . 1 1 A 14 14 GLU C C 14 175.146 174.936 0.210 2 1 78 . 1 1 A 15 15 CYS N N 15 126.999 124.761 2.238 2 1 79 . 1 1 A 15 15 CYS H H 15 9.003 9.112 -0.109 2 1 80 . 1 1 A 15 15 CYS CA C 15 59.138 59.233 -0.095 2 1 81 . 1 1 A 15 15 CYS HA H 15 4.566 4.667 -0.101 2 1 82 . 1 1 A 15 15 CYS CB C 15 29.682 29.023 0.659 2 1 85 . 1 1 A 15 15 CYS C C 15 176.861 175.060 1.801 2 1 86 . 1 1 A 16 16 LYS CA C 16 58.521 56.992 1.529 2 1 87 . 1 1 A 16 16 LYS HA H 16 4.134 4.488 -0.354 2 1 88 . 1 1 A 16 16 LYS CB C 16 32.265 33.810 -1.545 2 1 100 . 1 1 A 16 16 LYS C C 16 176.983 177.727 -0.744 2 1 101 . 1 1 A 17 17 GLU N N 17 119.122 118.675 0.447 2 1 102 . 1 1 A 17 17 GLU H H 17 8.546 8.015 0.531 2 1 103 . 1 1 A 17 17 GLU CA C 17 58.320 58.499 -0.179 2 1 104 . 1 1 A 17 17 GLU HA H 17 4.177 4.240 -0.063 2 1 105 . 1 1 A 17 17 GLU CB C 17 29.439 30.191 -0.752 2 1 111 . 1 1 A 17 17 GLU C C 17 177.215 178.608 -1.393 2 1 112 . 1 1 A 18 18 CYS N N 18 115.644 116.923 -1.279 2 1 113 . 1 1 A 18 18 CYS H H 18 7.939 7.928 0.011 2 1 114 . 1 1 A 18 18 CYS CA C 18 58.632 59.476 -0.844 2 1 115 . 1 1 A 18 18 CYS HA H 18 5.062 4.484 0.578 2 1 116 . 1 1 A 18 18 CYS CB C 18 31.808 28.225 3.583 2 1 119 . 1 1 A 18 18 CYS C C 18 175.151 174.444 0.707 2 1 120 . 1 1 A 19 19 ARG N N 19 116.788 116.695 0.093 2 1 121 . 1 1 A 19 19 ARG H H 19 8.171 7.937 0.234 2 1 122 . 1 1 A 19 19 ARG CA C 19 57.860 57.078 0.782 2 1 123 . 1 1 A 19 19 ARG HA H 19 4.148 4.048 0.100 2 1 124 . 1 1 A 19 19 ARG CB C 19 26.487 27.271 -0.784 2 1 133 . 1 1 A 19 19 ARG C C 19 175.492 174.529 0.963 2 1 134 . 1 1 A 20 20 LYS N N 20 121.616 118.897 2.719 2 1 135 . 1 1 A 20 20 LYS H H 20 7.920 7.821 0.100 2 1 136 . 1 1 A 20 20 LYS CA C 20 58.019 55.297 2.722 2 1 137 . 1 1 A 20 20 LYS HA H 20 4.152 4.666 -0.514 2 1 138 . 1 1 A 20 20 LYS CB C 20 34.130 34.334 -0.204 2 1 150 . 1 1 A 20 20 LYS C C 20 175.066 176.329 -1.263 2 1 151 . 1 1 A 21 21 THR N N 21 110.534 114.979 -4.445 2 1 152 . 1 1 A 21 21 THR H H 21 7.580 8.360 -0.780 2 1 153 . 1 1 A 21 21 THR CA C 21 59.360 60.444 -1.084 2 1 154 . 1 1 A 21 21 THR HA H 21 5.208 5.412 -0.204 2 1 155 . 1 1 A 21 21 THR CB C 21 71.608 71.097 0.511 2 1 161 . 1 1 A 21 21 THR C C 21 173.627 173.636 -0.009 2 1 162 . 1 1 A 22 22 PHE N N 22 116.966 118.320 -1.354 2 1 163 . 1 1 A 22 22 PHE H H 22 8.725 8.858 -0.133 2 1 164 . 1 1 A 22 22 PHE CA C 22 57.114 56.467 0.647 2 1 165 . 1 1 A 22 22 PHE HA H 22 4.819 4.947 -0.128 2 1 166 . 1 1 A 22 22 PHE CB C 22 44.195 41.936 2.259 2 1 179 . 1 1 A 22 22 PHE C C 22 175.176 175.868 -0.692 2 1 180 . 1 1 A 23 23 ILE N N 23 119.763 124.488 -4.725 2 1 181 . 1 1 A 23 23 ILE H H 23 9.199 8.588 0.611 2 1 182 . 1 1 A 23 23 ILE CA C 23 62.706 65.040 -2.334 2 1 183 . 1 1 A 23 23 ILE HA H 23 4.309 3.874 0.435 2 1 184 . 1 1 A 23 23 ILE CB C 23 38.932 37.993 0.939 2 1 197 . 1 1 A 23 23 ILE C C 23 176.059 176.482 -0.423 2 1 198 . 1 1 A 24 24 GLN N N 24 115.642 119.461 -3.819 2 1 199 . 1 1 A 24 24 GLN H H 24 7.544 8.066 -0.522 2 1 200 . 1 1 A 24 24 GLN CA C 24 53.942 54.250 -0.308 2 1 201 . 1 1 A 24 24 GLN HA H 24 4.801 4.827 -0.026 2 1 202 . 1 1 A 24 24 GLN CB C 24 30.876 31.122 -0.246 2 1 211 . 1 1 A 24 24 GLN C C 24 177.011 176.093 0.918 2 1 212 . 1 1 A 25 25 ILE N N 25 126.235 125.636 0.599 2 1 213 . 1 1 A 25 25 ILE H H 25 8.690 8.826 -0.136 2 1 214 . 1 1 A 25 25 ILE CA C 25 63.136 64.200 -1.063 2 1 215 . 1 1 A 25 25 ILE HA H 25 3.186 3.504 -0.318 2 1 216 . 1 1 A 25 25 ILE CB C 25 37.472 37.704 -0.232 2 1 229 . 1 1 A 25 25 ILE C C 25 176.863 177.903 -1.040 2 1 230 . 1 1 A 26 26 GLY N N 26 109.568 109.557 0.011 2 1 231 . 1 1 A 26 26 GLY H H 26 8.595 8.260 0.335 2 1 232 . 1 1 A 26 26 GLY CA C 26 46.804 47.348 -0.544 2 1 233 . 1 1 A 26 26 GLY HA2 H 26 3.837 3.685 0.152 2 1 234 . 1 1 A 26 26 GLY HA3 H 26 3.780 3.727 0.053 2 1 235 . 1 1 A 26 26 GLY C C 26 176.792 176.165 0.627 2 1 236 . 1 1 A 27 27 HIS N N 27 119.048 120.881 -1.833 2 1 237 . 1 1 A 27 27 HIS H H 27 6.921 8.075 -1.154 2 1 238 . 1 1 A 27 27 HIS CA C 27 57.080 58.877 -1.797 2 1 239 . 1 1 A 27 27 HIS HA H 27 4.482 4.378 0.104 2 1 240 . 1 1 A 27 27 HIS CB C 27 31.775 29.976 1.799 2 1 247 . 1 1 A 27 27 HIS C C 27 178.571 177.348 1.223 2 1 248 . 1 1 A 28 28 LEU N N 28 122.327 120.452 1.875 2 1 249 . 1 1 A 28 28 LEU H H 28 6.954 7.811 -0.857 2 1 250 . 1 1 A 28 28 LEU CA C 28 57.735 57.174 0.561 2 1 251 . 1 1 A 28 28 LEU HA H 28 3.018 3.004 0.014 2 1 252 . 1 1 A 28 28 LEU CB C 28 40.149 41.389 -1.240 2 1 265 . 1 1 A 28 28 LEU C C 28 177.665 178.416 -0.751 2 1 266 . 1 1 A 29 29 ASN N N 29 117.755 116.214 1.541 2 1 267 . 1 1 A 29 29 ASN H H 29 8.452 8.540 -0.088 2 1 268 . 1 1 A 29 29 ASN CA C 29 56.110 56.358 -0.248 2 1 269 . 1 1 A 29 29 ASN HA H 29 4.287 4.298 -0.011 2 1 270 . 1 1 A 29 29 ASN CB C 29 37.160 37.782 -0.623 2 1 276 . 1 1 A 29 29 ASN C C 29 178.326 177.587 0.739 2 1 277 . 1 1 A 30 30 GLN N N 30 118.797 119.227 -0.430 2 1 278 . 1 1 A 30 30 GLN H H 30 7.759 7.622 0.137 2 1 279 . 1 1 A 30 30 GLN CA C 30 58.546 58.285 0.261 2 1 280 . 1 1 A 30 30 GLN HA H 30 4.030 4.067 -0.037 2 1 281 . 1 1 A 30 30 GLN CB C 30 28.693 28.626 0.067 2 1 290 . 1 1 A 30 30 GLN C C 30 178.121 178.133 -0.012 2 1 291 . 1 1 A 31 31 HIS N N 31 119.702 120.015 -0.313 2 1 292 . 1 1 A 31 31 HIS H H 31 7.664 7.793 -0.129 2 1 293 . 1 1 A 31 31 HIS CA C 31 58.885 59.486 -0.601 2 1 294 . 1 1 A 31 31 HIS HA H 31 4.215 4.118 0.097 2 1 295 . 1 1 A 31 31 HIS CB C 31 28.494 29.817 -1.323 2 1 302 . 1 1 A 31 31 HIS C C 31 176.042 176.846 -0.804 2 1 303 . 1 1 A 32 32 LYS N N 32 115.824 117.790 -1.966 2 1 304 . 1 1 A 32 32 LYS H H 32 8.088 8.164 -0.076 2 1 305 . 1 1 A 32 32 LYS CA C 32 60.123 58.850 1.273 2 1 306 . 1 1 A 32 32 LYS HA H 32 3.698 3.982 -0.284 2 1 307 . 1 1 A 32 32 LYS CB C 32 32.401 32.210 0.191 2 1 319 . 1 1 A 32 32 LYS C C 32 177.823 178.858 -1.035 2 1 320 . 1 1 A 33 33 ARG N N 33 116.801 119.414 -2.613 2 1 321 . 1 1 A 33 33 ARG H H 33 7.063 7.988 -0.925 2 1 322 . 1 1 A 33 33 ARG CA C 33 58.202 59.064 -0.862 2 1 323 . 1 1 A 33 33 ARG HA H 33 4.133 4.047 0.086 2 1 324 . 1 1 A 33 33 ARG CB C 33 29.942 30.340 -0.398 2 1 332 . 1 1 A 33 33 ARG C C 33 178.364 178.626 -0.262 2 1 333 . 1 1 A 34 34 VAL N N 34 116.485 118.131 -1.646 2 1 334 . 1 1 A 34 34 VAL H H 34 7.933 7.779 0.154 2 1 335 . 1 1 A 34 34 VAL CA C 34 63.948 65.526 -1.578 2 1 336 . 1 1 A 34 34 VAL HA H 34 3.873 3.697 0.176 2 1 337 . 1 1 A 34 34 VAL CB C 34 31.153 31.301 -0.148 2 1 347 . 1 1 A 34 34 VAL C C 34 177.213 177.710 -0.497 2 1 348 . 1 1 A 35 35 HIS N N 35 117.143 119.147 -2.004 2 1 349 . 1 1 A 35 35 HIS H H 35 7.182 7.550 -0.368 2 1 350 . 1 1 A 35 35 HIS CA C 35 55.134 57.864 -2.730 2 1 351 . 1 1 A 35 35 HIS HA H 35 4.836 4.370 0.466 2 1 352 . 1 1 A 35 35 HIS CB C 35 28.697 29.380 -0.683 2 1 359 . 1 1 A 35 35 HIS C C 35 175.649 176.012 -0.363 2 1 360 . 1 1 A 36 36 THR N N 36 112.212 112.288 -0.076 2 1 361 . 1 1 A 36 36 THR H H 36 7.779 7.783 -0.004 2 1 362 . 1 1 A 36 36 THR CA C 36 62.601 63.267 -0.666 2 1 363 . 1 1 A 36 36 THR HA H 36 4.335 4.195 0.140 2 1 364 . 1 1 A 36 36 THR CB C 36 69.772 69.171 0.601 2 1 370 . 1 1 A 36 36 THR C C 36 175.505 175.069 0.436 2 1 371 . 1 1 A 37 37 GLY N N 37 110.726 111.056 -0.330 2 1 372 . 1 1 A 37 37 GLY H H 37 8.300 8.299 0.001 2 1 373 . 1 1 A 37 37 GLY CA C 37 45.440 45.512 -0.072 2 1 374 . 1 1 A 37 37 GLY HA2 H 37 4.009 4.044 -0.035 2 1 375 . 1 1 A 37 37 GLY HA3 H 37 3.935 4.050 -0.115 2 1 376 . 1 1 A 37 37 GLY C C 37 174.308 174.113 0.195 2 1 377 . 1 1 A 38 38 GLU N N 38 120.764 119.815 0.949 2 1 378 . 1 1 A 38 38 GLU H H 38 8.144 8.362 -0.218 2 1 379 . 1 1 A 38 38 GLU CA C 38 56.738 56.674 0.064 2 1 380 . 1 1 A 38 38 GLU HA H 38 4.240 4.351 -0.111 2 1 381 . 1 1 A 38 38 GLU CB C 38 30.407 30.231 0.176 2 1 387 . 1 1 A 38 38 GLU C C 38 176.615 176.211 0.404 2 1 388 . 1 1 A 39 39 ARG N N 39 121.903 122.630 -0.727 2 1 389 . 1 1 A 39 39 ARG H H 39 8.401 8.311 0.090 2 1 390 . 1 1 A 39 39 ARG CA C 39 56.022 56.356 -0.334 2 1 391 . 1 1 A 39 39 ARG HA H 39 4.372 4.441 -0.069 2 1 392 . 1 1 A 39 39 ARG CB C 39 30.822 30.798 0.024 2 1 401 . 1 1 A 39 39 ARG C C 39 176.458 175.615 0.843 2 1 402 . 1 1 A 42 42 GLY CA C 42 44.688 45.699 -1.011 2 1 403 . 1 1 A 42 42 GLY HA2 H 42 4.120 4.087 0.033 2 1 404 . 1 1 A 42 42 GLY HA3 H 42 4.120 4.088 0.032 2 1 405 . 1 1 A 43 43 PRO CA C 43 63.243 63.482 -0.239 2 1 406 . 1 1 A 43 43 PRO HA H 43 4.464 4.533 -0.069 2 1 407 . 1 1 A 43 43 PRO CB C 43 32.210 31.899 0.311 2 stop_ save_