data_10172_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10172 _Entry.PDB_ID 2ENC _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 45.245 46.962 -1.717 1 1 2 . 1 1 1 A 9 9 GLY HA3 H 9 3.924 3.904 0.020 1 1 3 . 1 1 1 A 9 9 GLY C C 9 174.036 173.857 0.179 1 1 4 . 1 1 1 A 9 9 GLY HA2 H 9 3.924 3.897 0.027 1 1 5 . 1 1 1 A 10 10 GLU N N 10 120.696 119.893 0.803 1 1 6 . 1 1 1 A 10 10 GLU H H 10 8.207 8.049 0.158 1 1 7 . 1 1 1 A 10 10 GLU CA C 10 56.534 54.804 1.730 1 1 8 . 1 1 1 A 10 10 GLU HA H 10 4.133 4.911 -0.778 1 1 9 . 1 1 1 A 10 10 GLU CB C 10 30.333 33.236 -2.903 1 1 13 . 1 1 1 A 10 10 GLU C C 10 175.895 174.496 1.399 1 1 16 . 1 1 1 A 11 11 LYS N N 11 122.388 124.291 -1.903 1 1 17 . 1 1 1 A 11 11 LYS H H 11 8.194 8.481 -0.287 1 1 18 . 1 1 1 A 11 11 LYS CA C 11 53.829 53.307 0.522 1 1 19 . 1 1 1 A 11 11 LYS HA H 11 4.210 4.773 -0.563 1 1 20 . 1 1 1 A 11 11 LYS CB C 11 31.954 34.127 -2.173 1 1 28 . 1 1 1 A 11 11 LYS C C 11 174.474 176.331 -1.857 1 1 33 . 1 1 1 A 12 12 PRO CA C 12 64.016 64.291 -0.275 1 1 34 . 1 1 1 A 12 12 PRO HA H 12 4.100 4.348 -0.248 1 1 35 . 1 1 1 A 12 12 PRO CB C 12 32.091 32.098 -0.007 1 1 41 . 1 1 1 A 12 12 PRO C C 12 176.288 176.124 0.164 1 1 45 . 1 1 1 A 13 13 PHE N N 13 117.244 117.333 -0.089 1 1 46 . 1 1 1 A 13 13 PHE H H 13 7.539 7.701 -0.162 1 1 47 . 1 1 1 A 13 13 PHE CA C 13 57.505 56.639 0.866 1 1 48 . 1 1 1 A 13 13 PHE HA H 13 4.650 5.107 -0.457 1 1 49 . 1 1 1 A 13 13 PHE CB C 13 39.645 42.521 -2.876 1 1 61 . 1 1 1 A 13 13 PHE C C 13 174.436 174.953 -0.517 1 1 63 . 1 1 1 A 14 14 LYS N N 14 123.175 120.420 2.755 1 1 64 . 1 1 1 A 14 14 LYS H H 14 8.664 9.143 -0.479 1 1 65 . 1 1 1 A 14 14 LYS CA C 14 54.292 54.593 -0.301 1 1 66 . 1 1 1 A 14 14 LYS HA H 14 5.102 5.375 -0.273 1 1 67 . 1 1 1 A 14 14 LYS CB C 14 34.850 36.198 -1.348 1 1 75 . 1 1 1 A 14 14 LYS C C 14 176.027 175.032 0.995 1 1 80 . 1 1 1 A 15 15 CYS N N 15 126.518 121.123 5.395 1 1 81 . 1 1 1 A 15 15 CYS H H 15 9.121 8.927 0.194 1 1 82 . 1 1 1 A 15 15 CYS CA C 15 59.421 59.899 -0.478 1 1 83 . 1 1 1 A 15 15 CYS HA H 15 4.379 4.701 -0.322 1 1 84 . 1 1 1 A 15 15 CYS CB C 15 30.467 28.537 1.930 1 1 86 . 1 1 1 A 15 15 CYS C C 15 177.905 176.586 1.319 1 1 88 . 1 1 1 A 16 16 GLU N N 16 131.837 123.474 8.363 1 1 89 . 1 1 1 A 16 16 GLU H H 16 9.146 8.773 0.373 1 1 90 . 1 1 1 A 16 16 GLU CA C 16 58.767 57.974 0.793 1 1 91 . 1 1 1 A 16 16 GLU HA H 16 4.015 4.226 -0.211 1 1 92 . 1 1 1 A 16 16 GLU CB C 16 30.034 30.436 -0.402 1 1 96 . 1 1 1 A 16 16 GLU C C 16 176.586 178.556 -1.970 1 1 99 . 1 1 1 A 17 17 GLU N N 17 120.271 119.273 0.998 1 1 100 . 1 1 1 A 17 17 GLU H H 17 8.759 7.584 1.175 1 1 101 . 1 1 1 A 17 17 GLU CA C 17 58.156 58.688 -0.532 1 1 102 . 1 1 1 A 17 17 GLU HA H 17 4.187 3.958 0.229 1 1 103 . 1 1 1 A 17 17 GLU CB C 17 29.903 29.376 0.527 1 1 107 . 1 1 1 A 17 17 GLU C C 17 177.311 178.130 -0.819 1 1 110 . 1 1 1 A 18 18 CYS N N 18 115.586 114.918 0.668 1 1 111 . 1 1 1 A 18 18 CYS H H 18 8.194 7.771 0.423 1 1 112 . 1 1 1 A 18 18 CYS CA C 18 58.370 59.645 -1.275 1 1 113 . 1 1 1 A 18 18 CYS HA H 18 5.102 4.547 0.555 1 1 114 . 1 1 1 A 18 18 CYS CB C 18 32.475 29.415 3.060 1 1 116 . 1 1 1 A 18 18 CYS C C 18 176.599 175.224 1.375 1 1 118 . 1 1 1 A 19 19 GLY N N 19 113.385 109.917 3.468 1 1 119 . 1 1 1 A 19 19 GLY H H 19 8.078 7.957 0.121 1 1 120 . 1 1 1 A 19 19 GLY CA C 19 46.212 44.899 1.313 1 1 121 . 1 1 1 A 19 19 GLY HA3 H 19 4.170 4.066 0.104 1 1 122 . 1 1 1 A 19 19 GLY C C 19 173.387 174.430 -1.043 1 1 123 . 1 1 1 A 19 19 GLY HA2 H 19 3.725 4.048 -0.323 1 1 124 . 1 1 1 A 20 20 LYS N N 20 123.491 122.511 0.980 1 1 125 . 1 1 1 A 20 20 LYS H H 20 8.031 7.451 0.580 1 1 126 . 1 1 1 A 20 20 LYS CA C 20 58.327 56.499 1.828 1 1 127 . 1 1 1 A 20 20 LYS HA H 20 3.865 3.982 -0.117 1 1 128 . 1 1 1 A 20 20 LYS CB C 20 33.833 32.923 0.910 1 1 136 . 1 1 1 A 20 20 LYS C C 20 174.752 175.286 -0.534 1 1 141 . 1 1 1 A 21 21 GLY N N 21 108.772 111.233 -2.461 1 1 142 . 1 1 1 A 21 21 GLY H H 21 7.874 7.965 -0.091 1 1 143 . 1 1 1 A 21 21 GLY CA C 21 44.209 43.614 0.595 1 1 144 . 1 1 1 A 21 21 GLY HA3 H 21 4.844 3.968 0.876 1 1 145 . 1 1 1 A 21 21 GLY C C 21 172.496 172.071 0.425 1 1 146 . 1 1 1 A 21 21 GLY HA2 H 21 3.160 3.941 -0.781 1 1 147 . 1 1 1 A 22 22 PHE N N 22 117.732 120.847 -3.115 1 1 148 . 1 1 1 A 22 22 PHE H H 22 8.744 8.463 0.281 1 1 149 . 1 1 1 A 22 22 PHE CA C 22 57.105 56.534 0.571 1 1 150 . 1 1 1 A 22 22 PHE HA H 22 4.459 4.837 -0.378 1 1 151 . 1 1 1 A 22 22 PHE CB C 22 44.303 43.906 0.397 1 1 163 . 1 1 1 A 22 22 PHE C C 22 175.019 174.811 0.208 1 1 165 . 1 1 1 A 23 23 TYR N N 23 117.772 120.052 -2.280 1 1 166 . 1 1 1 A 23 23 TYR H H 23 8.874 8.844 0.030 1 1 167 . 1 1 1 A 23 23 TYR CA C 23 61.344 58.968 2.376 1 1 168 . 1 1 1 A 23 23 TYR HA H 23 4.596 4.884 -0.288 1 1 169 . 1 1 1 A 23 23 TYR CB C 23 39.493 40.812 -1.319 1 1 179 . 1 1 1 A 23 23 TYR C C 23 176.259 175.695 0.564 1 1 181 . 1 1 1 A 24 24 THR N N 24 104.091 110.022 -5.931 1 1 182 . 1 1 1 A 24 24 THR H H 24 7.364 7.607 -0.243 1 1 183 . 1 1 1 A 24 24 THR CA C 24 58.807 59.485 -0.678 1 1 184 . 1 1 1 A 24 24 THR HA H 24 4.697 4.401 0.296 1 1 185 . 1 1 1 A 24 24 THR CB C 24 72.491 71.564 0.927 1 1 191 . 1 1 1 A 24 24 THR C C 24 173.941 174.633 -0.692 1 1 192 . 1 1 1 A 25 25 ASN N N 25 121.743 121.950 -0.207 1 1 193 . 1 1 1 A 25 25 ASN H H 25 8.167 8.490 -0.323 1 1 194 . 1 1 1 A 25 25 ASN CA C 25 55.394 56.852 -1.458 1 1 195 . 1 1 1 A 25 25 ASN HA H 25 3.488 4.100 -0.612 1 1 196 . 1 1 1 A 25 25 ASN CB C 25 37.914 38.558 -0.644 1 1 201 . 1 1 1 A 25 25 ASN C C 25 177.445 177.001 0.444 1 1 203 . 1 1 1 A 26 26 SER CA C 26 61.273 61.449 -0.176 1 1 204 . 1 1 1 A 26 26 SER HA H 26 4.001 4.018 -0.017 1 1 205 . 1 1 1 A 26 26 SER CB C 26 62.053 63.008 -0.955 1 1 207 . 1 1 1 A 26 26 SER C C 26 177.544 177.168 0.376 1 1 209 . 1 1 1 A 27 27 GLN N N 27 121.070 120.778 0.292 1 1 210 . 1 1 1 A 27 27 GLN H H 27 7.488 7.764 -0.276 1 1 211 . 1 1 1 A 27 27 GLN CA C 27 58.360 58.756 -0.396 1 1 212 . 1 1 1 A 27 27 GLN HA H 27 3.904 3.976 -0.072 1 1 213 . 1 1 1 A 27 27 GLN CB C 27 28.821 28.584 0.237 1 1 220 . 1 1 1 A 27 27 GLN C C 27 178.094 177.896 0.198 1 1 223 . 1 1 1 A 28 28 CYS N N 28 120.697 118.126 2.571 1 1 224 . 1 1 1 A 28 28 CYS H H 28 7.220 7.694 -0.474 1 1 225 . 1 1 1 A 28 28 CYS CA C 28 61.758 62.219 -0.461 1 1 226 . 1 1 1 A 28 28 CYS HA H 28 2.831 1.760 1.071 1 1 227 . 1 1 1 A 28 28 CYS CB C 28 26.350 26.709 -0.359 1 1 229 . 1 1 1 A 28 28 CYS C C 28 175.755 176.555 -0.800 1 1 231 . 1 1 1 A 29 29 TYR N N 29 119.853 122.135 -2.282 1 1 232 . 1 1 1 A 29 29 TYR H H 29 8.676 8.013 0.663 1 1 233 . 1 1 1 A 29 29 TYR CA C 29 61.209 61.919 -0.710 1 1 234 . 1 1 1 A 29 29 TYR HA H 29 4.190 4.003 0.187 1 1 235 . 1 1 1 A 29 29 TYR CB C 29 37.680 38.462 -0.782 1 1 245 . 1 1 1 A 29 29 TYR C C 29 178.450 177.099 1.351 1 1 247 . 1 1 1 A 30 30 SER N N 30 113.870 114.018 -0.148 1 1 248 . 1 1 1 A 30 30 SER H H 30 7.941 8.269 -0.328 1 1 249 . 1 1 1 A 30 30 SER CA C 30 61.619 61.833 -0.214 1 1 250 . 1 1 1 A 30 30 SER HA H 30 3.929 4.098 -0.169 1 1 251 . 1 1 1 A 30 30 SER CB C 30 62.511 63.043 -0.532 1 1 253 . 1 1 1 A 30 30 SER C C 30 177.338 177.078 0.260 1 1 255 . 1 1 1 A 31 31 HIS N N 31 120.082 120.967 -0.885 1 1 256 . 1 1 1 A 31 31 HIS H H 31 7.472 7.428 0.044 1 1 257 . 1 1 1 A 31 31 HIS CA C 31 59.031 59.623 -0.592 1 1 258 . 1 1 1 A 31 31 HIS HA H 31 4.166 4.336 -0.170 1 1 259 . 1 1 1 A 31 31 HIS CB C 31 27.883 29.698 -1.815 1 1 265 . 1 1 1 A 31 31 HIS C C 31 177.933 177.076 0.857 1 1 267 . 1 1 1 A 32 32 GLN N N 32 122.469 117.612 4.857 1 1 268 . 1 1 1 A 32 32 GLN H H 32 8.922 8.250 0.672 1 1 269 . 1 1 1 A 32 32 GLN CA C 32 59.712 59.296 0.416 1 1 270 . 1 1 1 A 32 32 GLN HA H 32 3.803 4.042 -0.239 1 1 271 . 1 1 1 A 32 32 GLN CB C 32 28.541 28.223 0.318 1 1 278 . 1 1 1 A 32 32 GLN C C 32 178.714 178.673 0.041 1 1 281 . 1 1 1 A 33 33 ARG N N 33 117.875 120.507 -2.632 1 1 282 . 1 1 1 A 33 33 ARG H H 33 7.460 8.003 -0.543 1 1 283 . 1 1 1 A 33 33 ARG CA C 33 58.084 59.680 -1.596 1 1 284 . 1 1 1 A 33 33 ARG HA H 33 3.987 4.026 -0.039 1 1 285 . 1 1 1 A 33 33 ARG CB C 33 29.643 30.014 -0.371 1 1 291 . 1 1 1 A 33 33 ARG C C 33 177.881 178.624 -0.743 1 1 295 . 1 1 1 A 34 34 SER N N 34 114.760 113.871 0.889 1 1 296 . 1 1 1 A 34 34 SER H H 34 7.661 8.195 -0.534 1 1 297 . 1 1 1 A 34 34 SER CA C 34 60.528 61.590 -1.062 1 1 298 . 1 1 1 A 34 34 SER HA H 34 4.157 4.197 -0.040 1 1 299 . 1 1 1 A 34 34 SER CB C 34 63.155 62.209 0.946 1 1 301 . 1 1 1 A 34 34 SER C C 34 175.370 176.045 -0.675 1 1 303 . 1 1 1 A 35 35 HIS N N 35 119.408 119.094 0.314 1 1 304 . 1 1 1 A 35 35 HIS H H 35 7.149 7.666 -0.517 1 1 305 . 1 1 1 A 35 35 HIS CA C 35 56.612 54.486 2.126 1 1 306 . 1 1 1 A 35 35 HIS HA H 35 4.591 4.629 -0.038 1 1 307 . 1 1 1 A 35 35 HIS CB C 35 28.543 27.479 1.064 1 1 313 . 1 1 1 A 35 35 HIS C C 35 175.587 173.561 2.026 1 1 315 . 1 1 1 A 36 36 SER N N 36 114.717 112.477 2.240 1 1 316 . 1 1 1 A 36 36 SER H H 36 7.831 8.018 -0.187 1 1 317 . 1 1 1 A 36 36 SER CA C 36 58.643 57.622 1.021 1 1 318 . 1 1 1 A 36 36 SER HA H 36 4.412 4.945 -0.533 1 1 319 . 1 1 1 A 36 36 SER CB C 36 63.865 65.701 -1.836 1 1 320 . 1 1 1 A 36 36 SER C C 36 175.009 173.593 1.416 1 1 322 . 1 1 1 A 37 37 GLY N N 37 110.718 110.336 0.382 1 1 323 . 1 1 1 A 37 37 GLY H H 37 8.233 8.525 -0.292 1 1 324 . 1 1 1 A 37 37 GLY CA C 37 45.254 45.948 -0.694 1 1 325 . 1 1 1 A 37 37 GLY HA3 H 37 3.930 4.031 -0.101 1 1 326 . 1 1 1 A 37 37 GLY C C 37 174.063 173.962 0.101 1 1 327 . 1 1 1 A 37 37 GLY HA2 H 37 3.930 4.030 -0.100 1 1 328 . 1 1 1 A 38 38 GLU N N 38 120.467 117.322 3.145 1 1 329 . 1 1 1 A 38 38 GLU H H 38 8.063 7.977 0.086 1 1 330 . 1 1 1 A 38 38 GLU CA C 38 56.324 56.272 0.052 1 1 331 . 1 1 1 A 38 38 GLU HA H 38 4.202 4.339 -0.137 1 1 332 . 1 1 1 A 38 38 GLU CB C 38 30.407 28.678 1.729 1 1 336 . 1 1 1 A 38 38 GLU C C 38 176.234 175.853 0.381 1 1 339 . 1 1 1 A 39 39 LYS N N 39 123.848 121.671 2.177 1 1 340 . 1 1 1 A 39 39 LYS H H 39 8.379 7.937 0.442 1 1 341 . 1 1 1 A 39 39 LYS CA C 39 54.044 53.066 0.978 1 1 342 . 1 1 1 A 39 39 LYS HA H 39 4.553 4.833 -0.280 1 1 343 . 1 1 1 A 39 39 LYS CB C 39 32.409 35.553 -3.144 1 1 351 . 1 1 1 A 39 39 LYS C C 39 174.964 173.943 1.021 1 1 356 . 1 1 1 A 40 40 PRO CA C 40 63.191 62.672 0.519 1 1 357 . 1 1 1 A 40 40 PRO HA H 40 4.410 4.723 -0.313 1 1 358 . 1 1 1 A 40 40 PRO CB C 40 32.091 32.627 -0.536 1 1 1 . 2 1 1 A 9 9 GLY CA C 9 45.245 45.446 -0.201 1 1 2 . 2 1 1 A 9 9 GLY HA3 H 9 3.924 4.220 -0.296 1 1 3 . 2 1 1 A 9 9 GLY C C 9 174.036 173.980 0.056 1 1 4 . 2 1 1 A 9 9 GLY HA2 H 9 3.924 4.217 -0.293 1 1 5 . 2 1 1 A 10 10 GLU N N 10 120.696 123.733 -3.037 1 1 6 . 2 1 1 A 10 10 GLU H H 10 8.207 8.631 -0.424 1 1 7 . 2 1 1 A 10 10 GLU CA C 10 56.534 56.583 -0.049 1 1 8 . 2 1 1 A 10 10 GLU HA H 10 4.133 4.367 -0.234 1 1 9 . 2 1 1 A 10 10 GLU CB C 10 30.333 30.930 -0.597 1 1 13 . 2 1 1 A 10 10 GLU C C 10 175.895 175.918 -0.023 1 1 16 . 2 1 1 A 11 11 LYS N N 11 122.388 125.375 -2.987 1 1 17 . 2 1 1 A 11 11 LYS H H 11 8.194 8.316 -0.122 1 1 18 . 2 1 1 A 11 11 LYS CA C 11 53.829 53.355 0.474 1 1 19 . 2 1 1 A 11 11 LYS HA H 11 4.210 4.833 -0.623 1 1 20 . 2 1 1 A 11 11 LYS CB C 11 31.954 33.432 -1.478 1 1 28 . 2 1 1 A 11 11 LYS C C 11 174.474 176.347 -1.873 1 1 33 . 2 1 1 A 12 12 PRO CA C 12 64.016 64.422 -0.406 1 1 34 . 2 1 1 A 12 12 PRO HA H 12 4.100 4.406 -0.306 1 1 35 . 2 1 1 A 12 12 PRO CB C 12 32.091 32.222 -0.131 1 1 41 . 2 1 1 A 12 12 PRO C C 12 176.288 176.323 -0.035 1 1 45 . 2 1 1 A 13 13 PHE N N 13 117.244 117.051 0.193 1 1 46 . 2 1 1 A 13 13 PHE H H 13 7.539 7.756 -0.217 1 1 47 . 2 1 1 A 13 13 PHE CA C 13 57.505 56.405 1.100 1 1 48 . 2 1 1 A 13 13 PHE HA H 13 4.650 5.097 -0.447 1 1 49 . 2 1 1 A 13 13 PHE CB C 13 39.645 42.135 -2.490 1 1 61 . 2 1 1 A 13 13 PHE C C 13 174.436 174.885 -0.449 1 1 63 . 2 1 1 A 14 14 LYS N N 14 123.175 120.382 2.793 1 1 64 . 2 1 1 A 14 14 LYS H H 14 8.664 9.152 -0.488 1 1 65 . 2 1 1 A 14 14 LYS CA C 14 54.292 54.419 -0.127 1 1 66 . 2 1 1 A 14 14 LYS HA H 14 5.102 5.264 -0.162 1 1 67 . 2 1 1 A 14 14 LYS CB C 14 34.850 36.057 -1.207 1 1 75 . 2 1 1 A 14 14 LYS C C 14 176.027 175.013 1.014 1 1 80 . 2 1 1 A 15 15 CYS N N 15 126.518 121.047 5.471 1 1 81 . 2 1 1 A 15 15 CYS H H 15 9.121 8.670 0.451 1 1 82 . 2 1 1 A 15 15 CYS CA C 15 59.421 59.687 -0.266 1 1 83 . 2 1 1 A 15 15 CYS HA H 15 4.379 4.745 -0.366 1 1 84 . 2 1 1 A 15 15 CYS CB C 15 30.467 28.719 1.748 1 1 86 . 2 1 1 A 15 15 CYS C C 15 177.905 176.733 1.172 1 1 88 . 2 1 1 A 16 16 GLU N N 16 131.837 123.772 8.065 1 1 89 . 2 1 1 A 16 16 GLU H H 16 9.146 8.759 0.387 1 1 90 . 2 1 1 A 16 16 GLU CA C 16 58.767 58.205 0.562 1 1 91 . 2 1 1 A 16 16 GLU HA H 16 4.015 4.251 -0.236 1 1 92 . 2 1 1 A 16 16 GLU CB C 16 30.034 30.434 -0.400 1 1 96 . 2 1 1 A 16 16 GLU C C 16 176.586 178.662 -2.076 1 1 99 . 2 1 1 A 17 17 GLU N N 17 120.271 119.510 0.761 1 1 100 . 2 1 1 A 17 17 GLU H H 17 8.759 7.793 0.966 1 1 101 . 2 1 1 A 17 17 GLU CA C 17 58.156 58.586 -0.430 1 1 102 . 2 1 1 A 17 17 GLU HA H 17 4.187 3.943 0.244 1 1 103 . 2 1 1 A 17 17 GLU CB C 17 29.903 29.075 0.828 1 1 107 . 2 1 1 A 17 17 GLU C C 17 177.311 178.080 -0.769 1 1 110 . 2 1 1 A 18 18 CYS N N 18 115.586 114.762 0.824 1 1 111 . 2 1 1 A 18 18 CYS H H 18 8.194 7.817 0.377 1 1 112 . 2 1 1 A 18 18 CYS CA C 18 58.370 59.687 -1.317 1 1 113 . 2 1 1 A 18 18 CYS HA H 18 5.102 4.582 0.520 1 1 114 . 2 1 1 A 18 18 CYS CB C 18 32.475 29.224 3.251 1 1 116 . 2 1 1 A 18 18 CYS C C 18 176.599 175.229 1.370 1 1 118 . 2 1 1 A 19 19 GLY N N 19 113.385 109.944 3.441 1 1 119 . 2 1 1 A 19 19 GLY H H 19 8.078 7.952 0.126 1 1 120 . 2 1 1 A 19 19 GLY CA C 19 46.212 45.028 1.184 1 1 121 . 2 1 1 A 19 19 GLY HA3 H 19 4.170 4.042 0.128 1 1 122 . 2 1 1 A 19 19 GLY C C 19 173.387 174.483 -1.096 1 1 123 . 2 1 1 A 19 19 GLY HA2 H 19 3.725 4.029 -0.304 1 1 124 . 2 1 1 A 20 20 LYS N N 20 123.491 122.401 1.090 1 1 125 . 2 1 1 A 20 20 LYS H H 20 8.031 7.848 0.183 1 1 126 . 2 1 1 A 20 20 LYS CA C 20 58.327 56.510 1.817 1 1 127 . 2 1 1 A 20 20 LYS HA H 20 3.865 3.964 -0.099 1 1 128 . 2 1 1 A 20 20 LYS CB C 20 33.833 32.965 0.868 1 1 136 . 2 1 1 A 20 20 LYS C C 20 174.752 175.484 -0.732 1 1 141 . 2 1 1 A 21 21 GLY N N 21 108.772 110.987 -2.215 1 1 142 . 2 1 1 A 21 21 GLY H H 21 7.874 8.023 -0.149 1 1 143 . 2 1 1 A 21 21 GLY CA C 21 44.209 43.700 0.509 1 1 144 . 2 1 1 A 21 21 GLY HA3 H 21 4.844 3.920 0.924 1 1 145 . 2 1 1 A 21 21 GLY C C 21 172.496 172.140 0.356 1 1 146 . 2 1 1 A 21 21 GLY HA2 H 21 3.160 3.914 -0.754 1 1 147 . 2 1 1 A 22 22 PHE N N 22 117.732 121.023 -3.291 1 1 148 . 2 1 1 A 22 22 PHE H H 22 8.744 8.252 0.492 1 1 149 . 2 1 1 A 22 22 PHE CA C 22 57.105 56.286 0.819 1 1 150 . 2 1 1 A 22 22 PHE HA H 22 4.459 4.779 -0.320 1 1 151 . 2 1 1 A 22 22 PHE CB C 22 44.303 43.860 0.443 1 1 163 . 2 1 1 A 22 22 PHE C C 22 175.019 174.582 0.437 1 1 165 . 2 1 1 A 23 23 TYR N N 23 117.772 119.624 -1.852 1 1 166 . 2 1 1 A 23 23 TYR H H 23 8.874 8.680 0.194 1 1 167 . 2 1 1 A 23 23 TYR CA C 23 61.344 58.854 2.490 1 1 168 . 2 1 1 A 23 23 TYR HA H 23 4.596 4.888 -0.292 1 1 169 . 2 1 1 A 23 23 TYR CB C 23 39.493 40.977 -1.484 1 1 179 . 2 1 1 A 23 23 TYR C C 23 176.259 175.685 0.574 1 1 181 . 2 1 1 A 24 24 THR N N 24 104.091 110.640 -6.549 1 1 182 . 2 1 1 A 24 24 THR H H 24 7.364 7.683 -0.319 1 1 183 . 2 1 1 A 24 24 THR CA C 24 58.807 59.253 -0.446 1 1 184 . 2 1 1 A 24 24 THR HA H 24 4.697 4.405 0.292 1 1 185 . 2 1 1 A 24 24 THR CB C 24 72.491 71.534 0.957 1 1 191 . 2 1 1 A 24 24 THR C C 24 173.941 174.923 -0.982 1 1 192 . 2 1 1 A 25 25 ASN N N 25 121.743 122.166 -0.423 1 1 193 . 2 1 1 A 25 25 ASN H H 25 8.167 8.877 -0.710 1 1 194 . 2 1 1 A 25 25 ASN CA C 25 55.394 56.167 -0.773 1 1 195 . 2 1 1 A 25 25 ASN HA H 25 3.488 4.277 -0.789 1 1 196 . 2 1 1 A 25 25 ASN CB C 25 37.914 37.513 0.401 1 1 201 . 2 1 1 A 25 25 ASN C C 25 177.445 177.117 0.328 1 1 203 . 2 1 1 A 26 26 SER CA C 26 61.273 61.747 -0.474 1 1 204 . 2 1 1 A 26 26 SER HA H 26 4.001 4.073 -0.072 1 1 205 . 2 1 1 A 26 26 SER CB C 26 62.053 62.855 -0.802 1 1 207 . 2 1 1 A 26 26 SER C C 26 177.544 176.692 0.852 1 1 209 . 2 1 1 A 27 27 GLN N N 27 121.070 120.108 0.962 1 1 210 . 2 1 1 A 27 27 GLN H H 27 7.488 7.541 -0.053 1 1 211 . 2 1 1 A 27 27 GLN CA C 27 58.360 58.364 -0.004 1 1 212 . 2 1 1 A 27 27 GLN HA H 27 3.904 3.905 -0.001 1 1 213 . 2 1 1 A 27 27 GLN CB C 27 28.821 28.316 0.505 1 1 220 . 2 1 1 A 27 27 GLN C C 27 178.094 177.728 0.366 1 1 223 . 2 1 1 A 28 28 CYS N N 28 120.697 118.627 2.070 1 1 224 . 2 1 1 A 28 28 CYS H H 28 7.220 7.645 -0.425 1 1 225 . 2 1 1 A 28 28 CYS CA C 28 61.758 62.644 -0.886 1 1 226 . 2 1 1 A 28 28 CYS HA H 28 2.831 2.892 -0.061 1 1 227 . 2 1 1 A 28 28 CYS CB C 28 26.350 26.324 0.026 1 1 229 . 2 1 1 A 28 28 CYS C C 28 175.755 176.874 -1.119 1 1 231 . 2 1 1 A 29 29 TYR N N 29 119.853 121.702 -1.849 1 1 232 . 2 1 1 A 29 29 TYR H H 29 8.676 8.457 0.219 1 1 233 . 2 1 1 A 29 29 TYR CA C 29 61.209 61.864 -0.655 1 1 234 . 2 1 1 A 29 29 TYR HA H 29 4.190 4.051 0.139 1 1 235 . 2 1 1 A 29 29 TYR CB C 29 37.680 38.589 -0.909 1 1 245 . 2 1 1 A 29 29 TYR C C 29 178.450 176.976 1.474 1 1 247 . 2 1 1 A 30 30 SER N N 30 113.870 115.581 -1.711 1 1 248 . 2 1 1 A 30 30 SER H H 30 7.941 8.363 -0.422 1 1 249 . 2 1 1 A 30 30 SER CA C 30 61.619 62.386 -0.767 1 1 250 . 2 1 1 A 30 30 SER HA H 30 3.929 4.147 -0.218 1 1 251 . 2 1 1 A 30 30 SER CB C 30 62.511 62.904 -0.393 1 1 253 . 2 1 1 A 30 30 SER C C 30 177.338 176.391 0.947 1 1 255 . 2 1 1 A 31 31 HIS N N 31 120.082 121.074 -0.992 1 1 256 . 2 1 1 A 31 31 HIS H H 31 7.472 7.431 0.041 1 1 257 . 2 1 1 A 31 31 HIS CA C 31 59.031 59.490 -0.459 1 1 258 . 2 1 1 A 31 31 HIS HA H 31 4.166 4.312 -0.146 1 1 259 . 2 1 1 A 31 31 HIS CB C 31 27.883 29.885 -2.002 1 1 265 . 2 1 1 A 31 31 HIS C C 31 177.933 176.943 0.990 1 1 267 . 2 1 1 A 32 32 GLN N N 32 122.469 117.786 4.683 1 1 268 . 2 1 1 A 32 32 GLN H H 32 8.922 8.104 0.818 1 1 269 . 2 1 1 A 32 32 GLN CA C 32 59.712 59.340 0.372 1 1 270 . 2 1 1 A 32 32 GLN HA H 32 3.803 3.966 -0.163 1 1 271 . 2 1 1 A 32 32 GLN CB C 32 28.541 28.618 -0.077 1 1 278 . 2 1 1 A 32 32 GLN C C 32 178.714 178.235 0.479 1 1 281 . 2 1 1 A 33 33 ARG N N 33 117.875 119.269 -1.394 1 1 282 . 2 1 1 A 33 33 ARG H H 33 7.460 8.140 -0.680 1 1 283 . 2 1 1 A 33 33 ARG CA C 33 58.084 59.627 -1.543 1 1 284 . 2 1 1 A 33 33 ARG HA H 33 3.987 4.040 -0.053 1 1 285 . 2 1 1 A 33 33 ARG CB C 33 29.643 29.866 -0.223 1 1 291 . 2 1 1 A 33 33 ARG C C 33 177.881 178.699 -0.818 1 1 295 . 2 1 1 A 34 34 SER N N 34 114.760 115.298 -0.538 1 1 296 . 2 1 1 A 34 34 SER H H 34 7.661 8.290 -0.629 1 1 297 . 2 1 1 A 34 34 SER CA C 34 60.528 61.736 -1.208 1 1 298 . 2 1 1 A 34 34 SER HA H 34 4.157 4.060 0.097 1 1 299 . 2 1 1 A 34 34 SER CB C 34 63.155 62.747 0.408 1 1 301 . 2 1 1 A 34 34 SER C C 34 175.370 175.173 0.197 1 1 303 . 2 1 1 A 35 35 HIS N N 35 119.408 117.768 1.640 1 1 304 . 2 1 1 A 35 35 HIS H H 35 7.149 7.687 -0.538 1 1 305 . 2 1 1 A 35 35 HIS CA C 35 56.612 56.210 0.402 1 1 306 . 2 1 1 A 35 35 HIS HA H 35 4.591 4.375 0.216 1 1 307 . 2 1 1 A 35 35 HIS CB C 35 28.543 28.912 -0.369 1 1 313 . 2 1 1 A 35 35 HIS C C 35 175.587 174.205 1.382 1 1 315 . 2 1 1 A 36 36 SER N N 36 114.717 117.372 -2.655 1 1 316 . 2 1 1 A 36 36 SER H H 36 7.831 8.194 -0.363 1 1 317 . 2 1 1 A 36 36 SER CA C 36 58.643 56.362 2.281 1 1 318 . 2 1 1 A 36 36 SER HA H 36 4.412 5.074 -0.662 1 1 319 . 2 1 1 A 36 36 SER CB C 36 63.865 66.163 -2.298 1 1 320 . 2 1 1 A 36 36 SER C C 36 175.009 173.267 1.742 1 1 322 . 2 1 1 A 37 37 GLY N N 37 110.718 107.750 2.968 1 1 323 . 2 1 1 A 37 37 GLY H H 37 8.233 8.547 -0.314 1 1 324 . 2 1 1 A 37 37 GLY CA C 37 45.254 45.190 0.064 1 1 325 . 2 1 1 A 37 37 GLY HA3 H 37 3.930 4.194 -0.264 1 1 326 . 2 1 1 A 37 37 GLY C C 37 174.063 172.032 2.031 1 1 327 . 2 1 1 A 37 37 GLY HA2 H 37 3.930 4.189 -0.259 1 1 328 . 2 1 1 A 38 38 GLU N N 38 120.467 123.841 -3.374 1 1 329 . 2 1 1 A 38 38 GLU H H 38 8.063 8.739 -0.676 1 1 330 . 2 1 1 A 38 38 GLU CA C 38 56.324 55.108 1.216 1 1 331 . 2 1 1 A 38 38 GLU HA H 38 4.202 5.083 -0.881 1 1 332 . 2 1 1 A 38 38 GLU CB C 38 30.407 32.951 -2.544 1 1 336 . 2 1 1 A 38 38 GLU C C 38 176.234 174.918 1.316 1 1 339 . 2 1 1 A 39 39 LYS N N 39 123.848 125.849 -2.001 1 1 340 . 2 1 1 A 39 39 LYS H H 39 8.379 8.700 -0.321 1 1 341 . 2 1 1 A 39 39 LYS CA C 39 54.044 53.365 0.679 1 1 342 . 2 1 1 A 39 39 LYS HA H 39 4.553 4.724 -0.171 1 1 343 . 2 1 1 A 39 39 LYS CB C 39 32.409 32.084 0.325 1 1 351 . 2 1 1 A 39 39 LYS C C 39 174.964 174.885 0.079 1 1 356 . 2 1 1 A 40 40 PRO CA C 40 63.191 62.766 0.425 1 1 357 . 2 1 1 A 40 40 PRO HA H 40 4.410 4.442 -0.032 1 1 358 . 2 1 1 A 40 40 PRO CB C 40 32.091 30.269 1.822 1 1 1 . 3 1 1 A 9 9 GLY CA C 9 45.245 44.724 0.521 1 1 2 . 3 1 1 A 9 9 GLY HA3 H 9 3.924 4.059 -0.135 1 1 3 . 3 1 1 A 9 9 GLY C C 9 174.036 172.610 1.426 1 1 4 . 3 1 1 A 9 9 GLY HA2 H 9 3.924 4.052 -0.128 1 1 5 . 3 1 1 A 10 10 GLU N N 10 120.696 123.395 -2.699 1 1 6 . 3 1 1 A 10 10 GLU H H 10 8.207 8.734 -0.527 1 1 7 . 3 1 1 A 10 10 GLU CA C 10 56.534 55.447 1.087 1 1 8 . 3 1 1 A 10 10 GLU HA H 10 4.133 4.910 -0.777 1 1 9 . 3 1 1 A 10 10 GLU CB C 10 30.333 31.077 -0.744 1 1 13 . 3 1 1 A 10 10 GLU C C 10 175.895 175.421 0.474 1 1 16 . 3 1 1 A 11 11 LYS N N 11 122.388 125.871 -3.483 1 1 17 . 3 1 1 A 11 11 LYS H H 11 8.194 8.357 -0.163 1 1 18 . 3 1 1 A 11 11 LYS CA C 11 53.829 53.333 0.496 1 1 19 . 3 1 1 A 11 11 LYS HA H 11 4.210 4.805 -0.595 1 1 20 . 3 1 1 A 11 11 LYS CB C 11 31.954 34.121 -2.167 1 1 28 . 3 1 1 A 11 11 LYS C C 11 174.474 176.380 -1.906 1 1 33 . 3 1 1 A 12 12 PRO CA C 12 64.016 64.375 -0.359 1 1 34 . 3 1 1 A 12 12 PRO HA H 12 4.100 4.383 -0.283 1 1 35 . 3 1 1 A 12 12 PRO CB C 12 32.091 32.121 -0.030 1 1 41 . 3 1 1 A 12 12 PRO C C 12 176.288 176.212 0.076 1 1 45 . 3 1 1 A 13 13 PHE N N 13 117.244 116.957 0.287 1 1 46 . 3 1 1 A 13 13 PHE H H 13 7.539 7.729 -0.190 1 1 47 . 3 1 1 A 13 13 PHE CA C 13 57.505 56.723 0.782 1 1 48 . 3 1 1 A 13 13 PHE HA H 13 4.650 5.101 -0.451 1 1 49 . 3 1 1 A 13 13 PHE CB C 13 39.645 41.829 -2.184 1 1 61 . 3 1 1 A 13 13 PHE C C 13 174.436 175.046 -0.610 1 1 63 . 3 1 1 A 14 14 LYS N N 14 123.175 120.706 2.469 1 1 64 . 3 1 1 A 14 14 LYS H H 14 8.664 9.141 -0.477 1 1 65 . 3 1 1 A 14 14 LYS CA C 14 54.292 54.521 -0.229 1 1 66 . 3 1 1 A 14 14 LYS HA H 14 5.102 5.296 -0.194 1 1 67 . 3 1 1 A 14 14 LYS CB C 14 34.850 36.062 -1.212 1 1 75 . 3 1 1 A 14 14 LYS C C 14 176.027 175.067 0.960 1 1 80 . 3 1 1 A 15 15 CYS N N 15 126.518 121.249 5.269 1 1 81 . 3 1 1 A 15 15 CYS H H 15 9.121 8.776 0.345 1 1 82 . 3 1 1 A 15 15 CYS CA C 15 59.421 59.812 -0.391 1 1 83 . 3 1 1 A 15 15 CYS HA H 15 4.379 4.707 -0.328 1 1 84 . 3 1 1 A 15 15 CYS CB C 15 30.467 28.549 1.918 1 1 86 . 3 1 1 A 15 15 CYS C C 15 177.905 176.666 1.239 1 1 88 . 3 1 1 A 16 16 GLU N N 16 131.837 123.534 8.303 1 1 89 . 3 1 1 A 16 16 GLU H H 16 9.146 8.844 0.302 1 1 90 . 3 1 1 A 16 16 GLU CA C 16 58.767 58.094 0.673 1 1 91 . 3 1 1 A 16 16 GLU HA H 16 4.015 4.213 -0.198 1 1 92 . 3 1 1 A 16 16 GLU CB C 16 30.034 30.213 -0.179 1 1 96 . 3 1 1 A 16 16 GLU C C 16 176.586 178.618 -2.032 1 1 99 . 3 1 1 A 17 17 GLU N N 17 120.271 119.383 0.888 1 1 100 . 3 1 1 A 17 17 GLU H H 17 8.759 7.669 1.090 1 1 101 . 3 1 1 A 17 17 GLU CA C 17 58.156 58.788 -0.632 1 1 102 . 3 1 1 A 17 17 GLU HA H 17 4.187 4.016 0.171 1 1 103 . 3 1 1 A 17 17 GLU CB C 17 29.903 29.619 0.284 1 1 107 . 3 1 1 A 17 17 GLU C C 17 177.311 178.297 -0.986 1 1 110 . 3 1 1 A 18 18 CYS N N 18 115.586 114.845 0.741 1 1 111 . 3 1 1 A 18 18 CYS H H 18 8.194 8.015 0.179 1 1 112 . 3 1 1 A 18 18 CYS CA C 18 58.370 59.779 -1.409 1 1 113 . 3 1 1 A 18 18 CYS HA H 18 5.102 4.595 0.507 1 1 114 . 3 1 1 A 18 18 CYS CB C 18 32.475 29.164 3.311 1 1 116 . 3 1 1 A 18 18 CYS C C 18 176.599 175.249 1.350 1 1 118 . 3 1 1 A 19 19 GLY N N 19 113.385 109.911 3.474 1 1 119 . 3 1 1 A 19 19 GLY H H 19 8.078 7.986 0.092 1 1 120 . 3 1 1 A 19 19 GLY CA C 19 46.212 44.895 1.317 1 1 121 . 3 1 1 A 19 19 GLY HA3 H 19 4.170 4.073 0.097 1 1 122 . 3 1 1 A 19 19 GLY C C 19 173.387 174.414 -1.027 1 1 123 . 3 1 1 A 19 19 GLY HA2 H 19 3.725 4.053 -0.328 1 1 124 . 3 1 1 A 20 20 LYS N N 20 123.491 122.308 1.183 1 1 125 . 3 1 1 A 20 20 LYS H H 20 8.031 7.381 0.650 1 1 126 . 3 1 1 A 20 20 LYS CA C 20 58.327 56.739 1.588 1 1 127 . 3 1 1 A 20 20 LYS HA H 20 3.865 3.958 -0.093 1 1 128 . 3 1 1 A 20 20 LYS CB C 20 33.833 32.865 0.968 1 1 136 . 3 1 1 A 20 20 LYS C C 20 174.752 175.613 -0.861 1 1 141 . 3 1 1 A 21 21 GLY N N 21 108.772 111.214 -2.442 1 1 142 . 3 1 1 A 21 21 GLY H H 21 7.874 7.992 -0.118 1 1 143 . 3 1 1 A 21 21 GLY CA C 21 44.209 43.584 0.625 1 1 144 . 3 1 1 A 21 21 GLY HA3 H 21 4.844 3.993 0.851 1 1 145 . 3 1 1 A 21 21 GLY C C 21 172.496 172.157 0.339 1 1 146 . 3 1 1 A 21 21 GLY HA2 H 21 3.160 3.950 -0.790 1 1 147 . 3 1 1 A 22 22 PHE N N 22 117.732 120.352 -2.620 1 1 148 . 3 1 1 A 22 22 PHE H H 22 8.744 8.169 0.575 1 1 149 . 3 1 1 A 22 22 PHE CA C 22 57.105 56.395 0.710 1 1 150 . 3 1 1 A 22 22 PHE HA H 22 4.459 4.782 -0.323 1 1 151 . 3 1 1 A 22 22 PHE CB C 22 44.303 44.134 0.169 1 1 163 . 3 1 1 A 22 22 PHE C C 22 175.019 174.598 0.421 1 1 165 . 3 1 1 A 23 23 TYR N N 23 117.772 119.791 -2.019 1 1 166 . 3 1 1 A 23 23 TYR H H 23 8.874 8.691 0.183 1 1 167 . 3 1 1 A 23 23 TYR CA C 23 61.344 58.764 2.580 1 1 168 . 3 1 1 A 23 23 TYR HA H 23 4.596 4.958 -0.362 1 1 169 . 3 1 1 A 23 23 TYR CB C 23 39.493 40.889 -1.396 1 1 179 . 3 1 1 A 23 23 TYR C C 23 176.259 175.698 0.561 1 1 181 . 3 1 1 A 24 24 THR N N 24 104.091 109.240 -5.149 1 1 182 . 3 1 1 A 24 24 THR H H 24 7.364 7.534 -0.170 1 1 183 . 3 1 1 A 24 24 THR CA C 24 58.807 59.388 -0.581 1 1 184 . 3 1 1 A 24 24 THR HA H 24 4.697 4.441 0.256 1 1 185 . 3 1 1 A 24 24 THR CB C 24 72.491 71.821 0.670 1 1 191 . 3 1 1 A 24 24 THR C C 24 173.941 174.776 -0.835 1 1 192 . 3 1 1 A 25 25 ASN N N 25 121.743 122.606 -0.863 1 1 193 . 3 1 1 A 25 25 ASN H H 25 8.167 8.818 -0.651 1 1 194 . 3 1 1 A 25 25 ASN CA C 25 55.394 56.319 -0.925 1 1 195 . 3 1 1 A 25 25 ASN HA H 25 3.488 4.300 -0.812 1 1 196 . 3 1 1 A 25 25 ASN CB C 25 37.914 37.700 0.214 1 1 201 . 3 1 1 A 25 25 ASN C C 25 177.445 177.040 0.405 1 1 203 . 3 1 1 A 26 26 SER CA C 26 61.273 61.906 -0.633 1 1 204 . 3 1 1 A 26 26 SER HA H 26 4.001 4.057 -0.056 1 1 205 . 3 1 1 A 26 26 SER CB C 26 62.053 62.544 -0.491 1 1 207 . 3 1 1 A 26 26 SER C C 26 177.544 176.746 0.798 1 1 209 . 3 1 1 A 27 27 GLN N N 27 121.070 120.495 0.575 1 1 210 . 3 1 1 A 27 27 GLN H H 27 7.488 8.015 -0.527 1 1 211 . 3 1 1 A 27 27 GLN CA C 27 58.360 58.819 -0.459 1 1 212 . 3 1 1 A 27 27 GLN HA H 27 3.904 3.945 -0.041 1 1 213 . 3 1 1 A 27 27 GLN CB C 27 28.821 28.440 0.381 1 1 220 . 3 1 1 A 27 27 GLN C C 27 178.094 177.910 0.184 1 1 223 . 3 1 1 A 28 28 CYS N N 28 120.697 118.428 2.269 1 1 224 . 3 1 1 A 28 28 CYS H H 28 7.220 7.625 -0.405 1 1 225 . 3 1 1 A 28 28 CYS CA C 28 61.758 62.510 -0.752 1 1 226 . 3 1 1 A 28 28 CYS HA H 28 2.831 2.491 0.340 1 1 227 . 3 1 1 A 28 28 CYS CB C 28 26.350 26.791 -0.441 1 1 229 . 3 1 1 A 28 28 CYS C C 28 175.755 176.760 -1.005 1 1 231 . 3 1 1 A 29 29 TYR N N 29 119.853 121.889 -2.036 1 1 232 . 3 1 1 A 29 29 TYR H H 29 8.676 8.335 0.341 1 1 233 . 3 1 1 A 29 29 TYR CA C 29 61.209 61.739 -0.530 1 1 234 . 3 1 1 A 29 29 TYR HA H 29 4.190 4.044 0.146 1 1 235 . 3 1 1 A 29 29 TYR CB C 29 37.680 38.440 -0.760 1 1 245 . 3 1 1 A 29 29 TYR C C 29 178.450 177.183 1.267 1 1 247 . 3 1 1 A 30 30 SER N N 30 113.870 114.317 -0.447 1 1 248 . 3 1 1 A 30 30 SER H H 30 7.941 8.600 -0.659 1 1 249 . 3 1 1 A 30 30 SER CA C 30 61.619 61.519 0.100 1 1 250 . 3 1 1 A 30 30 SER HA H 30 3.929 4.086 -0.157 1 1 251 . 3 1 1 A 30 30 SER CB C 30 62.511 63.101 -0.590 1 1 253 . 3 1 1 A 30 30 SER C C 30 177.338 176.979 0.359 1 1 255 . 3 1 1 A 31 31 HIS N N 31 120.082 120.481 -0.399 1 1 256 . 3 1 1 A 31 31 HIS H H 31 7.472 7.312 0.160 1 1 257 . 3 1 1 A 31 31 HIS CA C 31 59.031 59.273 -0.242 1 1 258 . 3 1 1 A 31 31 HIS HA H 31 4.166 4.273 -0.107 1 1 259 . 3 1 1 A 31 31 HIS CB C 31 27.883 29.863 -1.980 1 1 265 . 3 1 1 A 31 31 HIS C C 31 177.933 176.894 1.039 1 1 267 . 3 1 1 A 32 32 GLN N N 32 122.469 117.339 5.130 1 1 268 . 3 1 1 A 32 32 GLN H H 32 8.922 7.912 1.010 1 1 269 . 3 1 1 A 32 32 GLN CA C 32 59.712 59.231 0.481 1 1 270 . 3 1 1 A 32 32 GLN HA H 32 3.803 3.925 -0.122 1 1 271 . 3 1 1 A 32 32 GLN CB C 32 28.541 28.177 0.364 1 1 278 . 3 1 1 A 32 32 GLN C C 32 178.714 178.339 0.375 1 1 281 . 3 1 1 A 33 33 ARG N N 33 117.875 119.185 -1.310 1 1 282 . 3 1 1 A 33 33 ARG H H 33 7.460 7.826 -0.366 1 1 283 . 3 1 1 A 33 33 ARG CA C 33 58.084 59.369 -1.285 1 1 284 . 3 1 1 A 33 33 ARG HA H 33 3.987 4.000 -0.013 1 1 285 . 3 1 1 A 33 33 ARG CB C 33 29.643 30.054 -0.411 1 1 291 . 3 1 1 A 33 33 ARG C C 33 177.881 178.436 -0.555 1 1 295 . 3 1 1 A 34 34 SER N N 34 114.760 115.378 -0.618 1 1 296 . 3 1 1 A 34 34 SER H H 34 7.661 7.906 -0.245 1 1 297 . 3 1 1 A 34 34 SER CA C 34 60.528 61.808 -1.280 1 1 298 . 3 1 1 A 34 34 SER HA H 34 4.157 4.048 0.109 1 1 299 . 3 1 1 A 34 34 SER CB C 34 63.155 62.830 0.325 1 1 301 . 3 1 1 A 34 34 SER C C 34 175.370 175.001 0.369 1 1 303 . 3 1 1 A 35 35 HIS N N 35 119.408 118.042 1.366 1 1 304 . 3 1 1 A 35 35 HIS H H 35 7.149 7.063 0.086 1 1 305 . 3 1 1 A 35 35 HIS CA C 35 56.612 57.383 -0.771 1 1 306 . 3 1 1 A 35 35 HIS HA H 35 4.591 4.354 0.237 1 1 307 . 3 1 1 A 35 35 HIS CB C 35 28.543 30.035 -1.492 1 1 313 . 3 1 1 A 35 35 HIS C C 35 175.587 175.039 0.548 1 1 315 . 3 1 1 A 36 36 SER N N 36 114.717 120.537 -5.820 1 1 316 . 3 1 1 A 36 36 SER H H 36 7.831 8.954 -1.123 1 1 317 . 3 1 1 A 36 36 SER CA C 36 58.643 57.432 1.211 1 1 318 . 3 1 1 A 36 36 SER HA H 36 4.412 4.504 -0.092 1 1 319 . 3 1 1 A 36 36 SER CB C 36 63.865 61.806 2.059 1 1 320 . 3 1 1 A 36 36 SER C C 36 175.009 173.675 1.334 1 1 322 . 3 1 1 A 37 37 GLY N N 37 110.718 114.963 -4.245 1 1 323 . 3 1 1 A 37 37 GLY H H 37 8.233 8.355 -0.122 1 1 324 . 3 1 1 A 37 37 GLY CA C 37 45.254 44.827 0.427 1 1 325 . 3 1 1 A 37 37 GLY HA3 H 37 3.930 4.303 -0.373 1 1 326 . 3 1 1 A 37 37 GLY C C 37 174.063 174.621 -0.558 1 1 327 . 3 1 1 A 37 37 GLY HA2 H 37 3.930 4.297 -0.367 1 1 328 . 3 1 1 A 38 38 GLU N N 38 120.467 122.089 -1.622 1 1 329 . 3 1 1 A 38 38 GLU H H 38 8.063 8.875 -0.812 1 1 330 . 3 1 1 A 38 38 GLU CA C 38 56.324 56.173 0.151 1 1 331 . 3 1 1 A 38 38 GLU HA H 38 4.202 4.314 -0.112 1 1 332 . 3 1 1 A 38 38 GLU CB C 38 30.407 29.071 1.336 1 1 336 . 3 1 1 A 38 38 GLU C C 38 176.234 175.513 0.721 1 1 339 . 3 1 1 A 39 39 LYS N N 39 123.848 119.937 3.911 1 1 340 . 3 1 1 A 39 39 LYS H H 39 8.379 7.459 0.920 1 1 341 . 3 1 1 A 39 39 LYS CA C 39 54.044 53.075 0.969 1 1 342 . 3 1 1 A 39 39 LYS HA H 39 4.553 4.773 -0.220 1 1 343 . 3 1 1 A 39 39 LYS CB C 39 32.409 35.365 -2.956 1 1 351 . 3 1 1 A 39 39 LYS C C 39 174.964 173.843 1.121 1 1 356 . 3 1 1 A 40 40 PRO CA C 40 63.191 62.753 0.438 1 1 357 . 3 1 1 A 40 40 PRO HA H 40 4.410 4.662 -0.252 1 1 358 . 3 1 1 A 40 40 PRO CB C 40 32.091 31.588 0.503 1 1 1 . 4 1 1 A 9 9 GLY CA C 9 45.245 45.575 -0.330 1 1 2 . 4 1 1 A 9 9 GLY HA3 H 9 3.924 4.040 -0.116 1 1 3 . 4 1 1 A 9 9 GLY C C 9 174.036 173.027 1.009 1 1 4 . 4 1 1 A 9 9 GLY HA2 H 9 3.924 4.034 -0.110 1 1 5 . 4 1 1 A 10 10 GLU N N 10 120.696 118.764 1.932 1 1 6 . 4 1 1 A 10 10 GLU H H 10 8.207 8.016 0.191 1 1 7 . 4 1 1 A 10 10 GLU CA C 10 56.534 56.049 0.485 1 1 8 . 4 1 1 A 10 10 GLU HA H 10 4.133 4.736 -0.603 1 1 9 . 4 1 1 A 10 10 GLU CB C 10 30.333 33.390 -3.057 1 1 13 . 4 1 1 A 10 10 GLU C C 10 175.895 174.124 1.771 1 1 16 . 4 1 1 A 11 11 LYS N N 11 122.388 124.772 -2.384 1 1 17 . 4 1 1 A 11 11 LYS H H 11 8.194 8.618 -0.424 1 1 18 . 4 1 1 A 11 11 LYS CA C 11 53.829 53.314 0.515 1 1 19 . 4 1 1 A 11 11 LYS HA H 11 4.210 4.781 -0.571 1 1 20 . 4 1 1 A 11 11 LYS CB C 11 31.954 33.339 -1.385 1 1 28 . 4 1 1 A 11 11 LYS C C 11 174.474 176.441 -1.967 1 1 33 . 4 1 1 A 12 12 PRO CA C 12 64.016 64.319 -0.303 1 1 34 . 4 1 1 A 12 12 PRO HA H 12 4.100 4.308 -0.208 1 1 35 . 4 1 1 A 12 12 PRO CB C 12 32.091 32.159 -0.068 1 1 41 . 4 1 1 A 12 12 PRO C C 12 176.288 176.214 0.074 1 1 45 . 4 1 1 A 13 13 PHE N N 13 117.244 117.049 0.195 1 1 46 . 4 1 1 A 13 13 PHE H H 13 7.539 7.735 -0.196 1 1 47 . 4 1 1 A 13 13 PHE CA C 13 57.505 56.610 0.895 1 1 48 . 4 1 1 A 13 13 PHE HA H 13 4.650 5.117 -0.467 1 1 49 . 4 1 1 A 13 13 PHE CB C 13 39.645 42.327 -2.682 1 1 61 . 4 1 1 A 13 13 PHE C C 13 174.436 174.924 -0.488 1 1 63 . 4 1 1 A 14 14 LYS N N 14 123.175 120.404 2.771 1 1 64 . 4 1 1 A 14 14 LYS H H 14 8.664 9.203 -0.539 1 1 65 . 4 1 1 A 14 14 LYS CA C 14 54.292 54.614 -0.322 1 1 66 . 4 1 1 A 14 14 LYS HA H 14 5.102 5.423 -0.321 1 1 67 . 4 1 1 A 14 14 LYS CB C 14 34.850 36.168 -1.318 1 1 75 . 4 1 1 A 14 14 LYS C C 14 176.027 175.033 0.994 1 1 80 . 4 1 1 A 15 15 CYS N N 15 126.518 120.791 5.727 1 1 81 . 4 1 1 A 15 15 CYS H H 15 9.121 9.372 -0.251 1 1 82 . 4 1 1 A 15 15 CYS CA C 15 59.421 60.152 -0.731 1 1 83 . 4 1 1 A 15 15 CYS HA H 15 4.379 4.710 -0.331 1 1 84 . 4 1 1 A 15 15 CYS CB C 15 30.467 28.740 1.727 1 1 86 . 4 1 1 A 15 15 CYS C C 15 177.905 176.664 1.241 1 1 88 . 4 1 1 A 16 16 GLU N N 16 131.837 123.864 7.973 1 1 89 . 4 1 1 A 16 16 GLU H H 16 9.146 8.825 0.321 1 1 90 . 4 1 1 A 16 16 GLU CA C 16 58.767 58.168 0.599 1 1 91 . 4 1 1 A 16 16 GLU HA H 16 4.015 4.239 -0.224 1 1 92 . 4 1 1 A 16 16 GLU CB C 16 30.034 30.451 -0.417 1 1 96 . 4 1 1 A 16 16 GLU C C 16 176.586 178.476 -1.890 1 1 99 . 4 1 1 A 17 17 GLU N N 17 120.271 119.030 1.241 1 1 100 . 4 1 1 A 17 17 GLU H H 17 8.759 7.752 1.007 1 1 101 . 4 1 1 A 17 17 GLU CA C 17 58.156 58.701 -0.545 1 1 102 . 4 1 1 A 17 17 GLU HA H 17 4.187 3.967 0.220 1 1 103 . 4 1 1 A 17 17 GLU CB C 17 29.903 29.302 0.601 1 1 107 . 4 1 1 A 17 17 GLU C C 17 177.311 178.008 -0.697 1 1 110 . 4 1 1 A 18 18 CYS N N 18 115.586 115.219 0.367 1 1 111 . 4 1 1 A 18 18 CYS H H 18 8.194 7.991 0.203 1 1 112 . 4 1 1 A 18 18 CYS CA C 18 58.370 59.770 -1.400 1 1 113 . 4 1 1 A 18 18 CYS HA H 18 5.102 4.627 0.475 1 1 114 . 4 1 1 A 18 18 CYS CB C 18 32.475 29.629 2.846 1 1 116 . 4 1 1 A 18 18 CYS C C 18 176.599 175.294 1.305 1 1 118 . 4 1 1 A 19 19 GLY N N 19 113.385 109.595 3.790 1 1 119 . 4 1 1 A 19 19 GLY H H 19 8.078 7.954 0.124 1 1 120 . 4 1 1 A 19 19 GLY CA C 19 46.212 44.937 1.275 1 1 121 . 4 1 1 A 19 19 GLY HA3 H 19 4.170 4.043 0.127 1 1 122 . 4 1 1 A 19 19 GLY C C 19 173.387 174.482 -1.095 1 1 123 . 4 1 1 A 19 19 GLY HA2 H 19 3.725 4.021 -0.296 1 1 124 . 4 1 1 A 20 20 LYS N N 20 123.491 122.389 1.102 1 1 125 . 4 1 1 A 20 20 LYS H H 20 8.031 7.540 0.491 1 1 126 . 4 1 1 A 20 20 LYS CA C 20 58.327 56.875 1.452 1 1 127 . 4 1 1 A 20 20 LYS HA H 20 3.865 3.936 -0.071 1 1 128 . 4 1 1 A 20 20 LYS CB C 20 33.833 33.117 0.716 1 1 136 . 4 1 1 A 20 20 LYS C C 20 174.752 175.597 -0.845 1 1 141 . 4 1 1 A 21 21 GLY N N 21 108.772 111.832 -3.060 1 1 142 . 4 1 1 A 21 21 GLY H H 21 7.874 8.203 -0.329 1 1 143 . 4 1 1 A 21 21 GLY CA C 21 44.209 44.437 -0.228 1 1 144 . 4 1 1 A 21 21 GLY HA3 H 21 4.844 3.781 1.063 1 1 145 . 4 1 1 A 21 21 GLY C C 21 172.496 172.535 -0.039 1 1 146 . 4 1 1 A 21 21 GLY HA2 H 21 3.160 3.772 -0.612 1 1 147 . 4 1 1 A 22 22 PHE N N 22 117.732 119.997 -2.265 1 1 148 . 4 1 1 A 22 22 PHE H H 22 8.744 8.349 0.395 1 1 149 . 4 1 1 A 22 22 PHE CA C 22 57.105 56.335 0.770 1 1 150 . 4 1 1 A 22 22 PHE HA H 22 4.459 4.847 -0.388 1 1 151 . 4 1 1 A 22 22 PHE CB C 22 44.303 43.980 0.323 1 1 163 . 4 1 1 A 22 22 PHE C C 22 175.019 174.620 0.399 1 1 165 . 4 1 1 A 23 23 TYR N N 23 117.772 119.863 -2.091 1 1 166 . 4 1 1 A 23 23 TYR H H 23 8.874 8.754 0.120 1 1 167 . 4 1 1 A 23 23 TYR CA C 23 61.344 58.778 2.566 1 1 168 . 4 1 1 A 23 23 TYR HA H 23 4.596 5.001 -0.405 1 1 169 . 4 1 1 A 23 23 TYR CB C 23 39.493 40.860 -1.367 1 1 179 . 4 1 1 A 23 23 TYR C C 23 176.259 175.798 0.461 1 1 181 . 4 1 1 A 24 24 THR N N 24 104.091 109.926 -5.835 1 1 182 . 4 1 1 A 24 24 THR H H 24 7.364 7.574 -0.210 1 1 183 . 4 1 1 A 24 24 THR CA C 24 58.807 59.730 -0.923 1 1 184 . 4 1 1 A 24 24 THR HA H 24 4.697 4.451 0.246 1 1 185 . 4 1 1 A 24 24 THR CB C 24 72.491 71.487 1.004 1 1 191 . 4 1 1 A 24 24 THR C C 24 173.941 174.522 -0.581 1 1 192 . 4 1 1 A 25 25 ASN N N 25 121.743 123.009 -1.266 1 1 193 . 4 1 1 A 25 25 ASN H H 25 8.167 8.372 -0.205 1 1 194 . 4 1 1 A 25 25 ASN CA C 25 55.394 56.529 -1.135 1 1 195 . 4 1 1 A 25 25 ASN HA H 25 3.488 4.214 -0.726 1 1 196 . 4 1 1 A 25 25 ASN CB C 25 37.914 38.350 -0.436 1 1 201 . 4 1 1 A 25 25 ASN C C 25 177.445 177.042 0.403 1 1 203 . 4 1 1 A 26 26 SER CA C 26 61.273 61.571 -0.298 1 1 204 . 4 1 1 A 26 26 SER HA H 26 4.001 4.002 -0.001 1 1 205 . 4 1 1 A 26 26 SER CB C 26 62.053 62.538 -0.485 1 1 207 . 4 1 1 A 26 26 SER C C 26 177.544 176.699 0.845 1 1 209 . 4 1 1 A 27 27 GLN N N 27 121.070 120.394 0.676 1 1 210 . 4 1 1 A 27 27 GLN H H 27 7.488 7.759 -0.271 1 1 211 . 4 1 1 A 27 27 GLN CA C 27 58.360 58.793 -0.433 1 1 212 . 4 1 1 A 27 27 GLN HA H 27 3.904 3.953 -0.049 1 1 213 . 4 1 1 A 27 27 GLN CB C 27 28.821 28.494 0.327 1 1 220 . 4 1 1 A 27 27 GLN C C 27 178.094 177.804 0.290 1 1 223 . 4 1 1 A 28 28 CYS N N 28 120.697 118.456 2.241 1 1 224 . 4 1 1 A 28 28 CYS H H 28 7.220 7.568 -0.348 1 1 225 . 4 1 1 A 28 28 CYS CA C 28 61.758 62.365 -0.607 1 1 226 . 4 1 1 A 28 28 CYS HA H 28 2.831 2.128 0.703 1 1 227 . 4 1 1 A 28 28 CYS CB C 28 26.350 26.642 -0.292 1 1 229 . 4 1 1 A 28 28 CYS C C 28 175.755 176.735 -0.980 1 1 231 . 4 1 1 A 29 29 TYR N N 29 119.853 121.999 -2.146 1 1 232 . 4 1 1 A 29 29 TYR H H 29 8.676 7.848 0.828 1 1 233 . 4 1 1 A 29 29 TYR CA C 29 61.209 61.682 -0.473 1 1 234 . 4 1 1 A 29 29 TYR HA H 29 4.190 4.149 0.041 1 1 235 . 4 1 1 A 29 29 TYR CB C 29 37.680 38.470 -0.790 1 1 245 . 4 1 1 A 29 29 TYR C C 29 178.450 177.126 1.324 1 1 247 . 4 1 1 A 30 30 SER N N 30 113.870 114.251 -0.381 1 1 248 . 4 1 1 A 30 30 SER H H 30 7.941 8.197 -0.256 1 1 249 . 4 1 1 A 30 30 SER CA C 30 61.619 61.699 -0.080 1 1 250 . 4 1 1 A 30 30 SER HA H 30 3.929 4.103 -0.174 1 1 251 . 4 1 1 A 30 30 SER CB C 30 62.511 63.095 -0.584 1 1 253 . 4 1 1 A 30 30 SER C C 30 177.338 176.962 0.376 1 1 255 . 4 1 1 A 31 31 HIS N N 31 120.082 120.434 -0.352 1 1 256 . 4 1 1 A 31 31 HIS H H 31 7.472 7.143 0.329 1 1 257 . 4 1 1 A 31 31 HIS CA C 31 59.031 59.603 -0.572 1 1 258 . 4 1 1 A 31 31 HIS HA H 31 4.166 4.268 -0.102 1 1 259 . 4 1 1 A 31 31 HIS CB C 31 27.883 29.956 -2.073 1 1 265 . 4 1 1 A 31 31 HIS C C 31 177.933 177.151 0.782 1 1 267 . 4 1 1 A 32 32 GLN N N 32 122.469 117.876 4.593 1 1 268 . 4 1 1 A 32 32 GLN H H 32 8.922 8.400 0.522 1 1 269 . 4 1 1 A 32 32 GLN CA C 32 59.712 59.420 0.292 1 1 270 . 4 1 1 A 32 32 GLN HA H 32 3.803 3.922 -0.119 1 1 271 . 4 1 1 A 32 32 GLN CB C 32 28.541 28.018 0.523 1 1 278 . 4 1 1 A 32 32 GLN C C 32 178.714 178.407 0.307 1 1 281 . 4 1 1 A 33 33 ARG N N 33 117.875 118.738 -0.863 1 1 282 . 4 1 1 A 33 33 ARG H H 33 7.460 8.388 -0.928 1 1 283 . 4 1 1 A 33 33 ARG CA C 33 58.084 58.612 -0.528 1 1 284 . 4 1 1 A 33 33 ARG HA H 33 3.987 4.063 -0.076 1 1 285 . 4 1 1 A 33 33 ARG CB C 33 29.643 29.647 -0.004 1 1 291 . 4 1 1 A 33 33 ARG C C 33 177.881 178.384 -0.503 1 1 295 . 4 1 1 A 34 34 SER N N 34 114.760 115.572 -0.812 1 1 296 . 4 1 1 A 34 34 SER H H 34 7.661 8.075 -0.414 1 1 297 . 4 1 1 A 34 34 SER CA C 34 60.528 61.284 -0.756 1 1 298 . 4 1 1 A 34 34 SER HA H 34 4.157 4.141 0.016 1 1 299 . 4 1 1 A 34 34 SER CB C 34 63.155 62.671 0.484 1 1 301 . 4 1 1 A 34 34 SER C C 34 175.370 177.029 -1.659 1 1 303 . 4 1 1 A 35 35 HIS N N 35 119.408 119.485 -0.077 1 1 304 . 4 1 1 A 35 35 HIS H H 35 7.149 7.373 -0.224 1 1 305 . 4 1 1 A 35 35 HIS CA C 35 56.612 58.636 -2.024 1 1 306 . 4 1 1 A 35 35 HIS HA H 35 4.591 4.390 0.201 1 1 307 . 4 1 1 A 35 35 HIS CB C 35 28.543 29.603 -1.060 1 1 313 . 4 1 1 A 35 35 HIS C C 35 175.587 175.445 0.142 1 1 315 . 4 1 1 A 36 36 SER N N 36 114.717 112.118 2.599 1 1 316 . 4 1 1 A 36 36 SER H H 36 7.831 7.972 -0.141 1 1 317 . 4 1 1 A 36 36 SER CA C 36 58.643 57.243 1.400 1 1 318 . 4 1 1 A 36 36 SER HA H 36 4.412 4.933 -0.521 1 1 319 . 4 1 1 A 36 36 SER CB C 36 63.865 64.912 -1.047 1 1 320 . 4 1 1 A 36 36 SER C C 36 175.009 173.759 1.250 1 1 322 . 4 1 1 A 37 37 GLY N N 37 110.718 112.182 -1.464 1 1 323 . 4 1 1 A 37 37 GLY H H 37 8.233 8.495 -0.262 1 1 324 . 4 1 1 A 37 37 GLY CA C 37 45.254 45.724 -0.470 1 1 325 . 4 1 1 A 37 37 GLY HA3 H 37 3.930 4.246 -0.316 1 1 326 . 4 1 1 A 37 37 GLY C C 37 174.063 172.535 1.528 1 1 327 . 4 1 1 A 37 37 GLY HA2 H 37 3.930 4.241 -0.311 1 1 328 . 4 1 1 A 38 38 GLU N N 38 120.467 122.896 -2.429 1 1 329 . 4 1 1 A 38 38 GLU H H 38 8.063 8.714 -0.651 1 1 330 . 4 1 1 A 38 38 GLU CA C 38 56.324 56.910 -0.586 1 1 331 . 4 1 1 A 38 38 GLU HA H 38 4.202 4.518 -0.316 1 1 332 . 4 1 1 A 38 38 GLU CB C 38 30.407 30.023 0.384 1 1 336 . 4 1 1 A 38 38 GLU C C 38 176.234 176.368 -0.134 1 1 339 . 4 1 1 A 39 39 LYS N N 39 123.848 121.683 2.165 1 1 340 . 4 1 1 A 39 39 LYS H H 39 8.379 8.464 -0.085 1 1 341 . 4 1 1 A 39 39 LYS CA C 39 54.044 54.526 -0.482 1 1 342 . 4 1 1 A 39 39 LYS HA H 39 4.553 4.780 -0.227 1 1 343 . 4 1 1 A 39 39 LYS CB C 39 32.409 35.312 -2.903 1 1 351 . 4 1 1 A 39 39 LYS C C 39 174.964 176.058 -1.094 1 1 356 . 4 1 1 A 40 40 PRO CA C 40 63.191 64.906 -1.715 1 1 357 . 4 1 1 A 40 40 PRO HA H 40 4.410 4.442 -0.032 1 1 358 . 4 1 1 A 40 40 PRO CB C 40 32.091 32.083 0.008 1 1 1 . 5 1 1 A 9 9 GLY CA C 9 45.245 46.480 -1.235 1 1 2 . 5 1 1 A 9 9 GLY HA3 H 9 3.924 4.039 -0.115 1 1 3 . 5 1 1 A 9 9 GLY C C 9 174.036 173.897 0.139 1 1 4 . 5 1 1 A 9 9 GLY HA2 H 9 3.924 4.033 -0.109 1 1 5 . 5 1 1 A 10 10 GLU N N 10 120.696 119.009 1.687 1 1 6 . 5 1 1 A 10 10 GLU H H 10 8.207 7.944 0.263 1 1 7 . 5 1 1 A 10 10 GLU CA C 10 56.534 55.095 1.439 1 1 8 . 5 1 1 A 10 10 GLU HA H 10 4.133 4.949 -0.816 1 1 9 . 5 1 1 A 10 10 GLU CB C 10 30.333 33.672 -3.339 1 1 13 . 5 1 1 A 10 10 GLU C C 10 175.895 174.340 1.555 1 1 16 . 5 1 1 A 11 11 LYS N N 11 122.388 124.514 -2.126 1 1 17 . 5 1 1 A 11 11 LYS H H 11 8.194 8.525 -0.331 1 1 18 . 5 1 1 A 11 11 LYS CA C 11 53.829 53.293 0.536 1 1 19 . 5 1 1 A 11 11 LYS HA H 11 4.210 4.803 -0.593 1 1 20 . 5 1 1 A 11 11 LYS CB C 11 31.954 33.334 -1.380 1 1 28 . 5 1 1 A 11 11 LYS C C 11 174.474 176.433 -1.959 1 1 33 . 5 1 1 A 12 12 PRO CA C 12 64.016 64.434 -0.418 1 1 34 . 5 1 1 A 12 12 PRO HA H 12 4.100 4.344 -0.244 1 1 35 . 5 1 1 A 12 12 PRO CB C 12 32.091 32.275 -0.184 1 1 41 . 5 1 1 A 12 12 PRO C C 12 176.288 176.291 -0.003 1 1 45 . 5 1 1 A 13 13 PHE N N 13 117.244 117.017 0.227 1 1 46 . 5 1 1 A 13 13 PHE H H 13 7.539 7.731 -0.192 1 1 47 . 5 1 1 A 13 13 PHE CA C 13 57.505 56.525 0.980 1 1 48 . 5 1 1 A 13 13 PHE HA H 13 4.650 5.155 -0.505 1 1 49 . 5 1 1 A 13 13 PHE CB C 13 39.645 42.685 -3.040 1 1 61 . 5 1 1 A 13 13 PHE C C 13 174.436 174.875 -0.439 1 1 63 . 5 1 1 A 14 14 LYS N N 14 123.175 120.391 2.784 1 1 64 . 5 1 1 A 14 14 LYS H H 14 8.664 9.208 -0.544 1 1 65 . 5 1 1 A 14 14 LYS CA C 14 54.292 54.447 -0.155 1 1 66 . 5 1 1 A 14 14 LYS HA H 14 5.102 5.123 -0.021 1 1 67 . 5 1 1 A 14 14 LYS CB C 14 34.850 36.119 -1.269 1 1 75 . 5 1 1 A 14 14 LYS C C 14 176.027 175.020 1.007 1 1 80 . 5 1 1 A 15 15 CYS N N 15 126.518 121.064 5.454 1 1 81 . 5 1 1 A 15 15 CYS H H 15 9.121 8.692 0.429 1 1 82 . 5 1 1 A 15 15 CYS CA C 15 59.421 59.659 -0.238 1 1 83 . 5 1 1 A 15 15 CYS HA H 15 4.379 4.741 -0.362 1 1 84 . 5 1 1 A 15 15 CYS CB C 15 30.467 28.617 1.850 1 1 86 . 5 1 1 A 15 15 CYS C C 15 177.905 176.648 1.257 1 1 88 . 5 1 1 A 16 16 GLU N N 16 131.837 123.757 8.080 1 1 89 . 5 1 1 A 16 16 GLU H H 16 9.146 8.839 0.307 1 1 90 . 5 1 1 A 16 16 GLU CA C 16 58.767 58.122 0.645 1 1 91 . 5 1 1 A 16 16 GLU HA H 16 4.015 4.242 -0.227 1 1 92 . 5 1 1 A 16 16 GLU CB C 16 30.034 30.341 -0.307 1 1 96 . 5 1 1 A 16 16 GLU C C 16 176.586 178.618 -2.032 1 1 99 . 5 1 1 A 17 17 GLU N N 17 120.271 119.376 0.895 1 1 100 . 5 1 1 A 17 17 GLU H H 17 8.759 7.759 1.000 1 1 101 . 5 1 1 A 17 17 GLU CA C 17 58.156 58.720 -0.564 1 1 102 . 5 1 1 A 17 17 GLU HA H 17 4.187 3.999 0.188 1 1 103 . 5 1 1 A 17 17 GLU CB C 17 29.903 29.517 0.386 1 1 107 . 5 1 1 A 17 17 GLU C C 17 177.311 178.223 -0.912 1 1 110 . 5 1 1 A 18 18 CYS N N 18 115.586 114.860 0.726 1 1 111 . 5 1 1 A 18 18 CYS H H 18 8.194 7.984 0.210 1 1 112 . 5 1 1 A 18 18 CYS CA C 18 58.370 59.783 -1.413 1 1 113 . 5 1 1 A 18 18 CYS HA H 18 5.102 4.594 0.508 1 1 114 . 5 1 1 A 18 18 CYS CB C 18 32.475 29.231 3.244 1 1 116 . 5 1 1 A 18 18 CYS C C 18 176.599 175.259 1.340 1 1 118 . 5 1 1 A 19 19 GLY N N 19 113.385 109.937 3.448 1 1 119 . 5 1 1 A 19 19 GLY H H 19 8.078 7.971 0.107 1 1 120 . 5 1 1 A 19 19 GLY CA C 19 46.212 44.929 1.283 1 1 121 . 5 1 1 A 19 19 GLY HA3 H 19 4.170 4.072 0.098 1 1 122 . 5 1 1 A 19 19 GLY C C 19 173.387 174.402 -1.015 1 1 123 . 5 1 1 A 19 19 GLY HA2 H 19 3.725 4.050 -0.325 1 1 124 . 5 1 1 A 20 20 LYS N N 20 123.491 122.280 1.211 1 1 125 . 5 1 1 A 20 20 LYS H H 20 8.031 7.295 0.736 1 1 126 . 5 1 1 A 20 20 LYS CA C 20 58.327 56.551 1.776 1 1 127 . 5 1 1 A 20 20 LYS HA H 20 3.865 3.939 -0.074 1 1 128 . 5 1 1 A 20 20 LYS CB C 20 33.833 32.785 1.048 1 1 136 . 5 1 1 A 20 20 LYS C C 20 174.752 175.547 -0.795 1 1 141 . 5 1 1 A 21 21 GLY N N 21 108.772 110.681 -1.909 1 1 142 . 5 1 1 A 21 21 GLY H H 21 7.874 8.002 -0.128 1 1 143 . 5 1 1 A 21 21 GLY CA C 21 44.209 43.864 0.345 1 1 144 . 5 1 1 A 21 21 GLY HA3 H 21 4.844 3.897 0.947 1 1 145 . 5 1 1 A 21 21 GLY C C 21 172.496 172.020 0.476 1 1 146 . 5 1 1 A 21 21 GLY HA2 H 21 3.160 3.896 -0.736 1 1 147 . 5 1 1 A 22 22 PHE N N 22 117.732 122.103 -4.371 1 1 148 . 5 1 1 A 22 22 PHE H H 22 8.744 8.368 0.376 1 1 149 . 5 1 1 A 22 22 PHE CA C 22 57.105 56.510 0.595 1 1 150 . 5 1 1 A 22 22 PHE HA H 22 4.459 4.786 -0.327 1 1 151 . 5 1 1 A 22 22 PHE CB C 22 44.303 43.914 0.389 1 1 163 . 5 1 1 A 22 22 PHE C C 22 175.019 174.651 0.368 1 1 165 . 5 1 1 A 23 23 TYR N N 23 117.772 120.306 -2.534 1 1 166 . 5 1 1 A 23 23 TYR H H 23 8.874 8.772 0.102 1 1 167 . 5 1 1 A 23 23 TYR CA C 23 61.344 58.935 2.409 1 1 168 . 5 1 1 A 23 23 TYR HA H 23 4.596 4.964 -0.368 1 1 169 . 5 1 1 A 23 23 TYR CB C 23 39.493 40.828 -1.335 1 1 179 . 5 1 1 A 23 23 TYR C C 23 176.259 175.715 0.544 1 1 181 . 5 1 1 A 24 24 THR N N 24 104.091 109.932 -5.841 1 1 182 . 5 1 1 A 24 24 THR H H 24 7.364 7.575 -0.211 1 1 183 . 5 1 1 A 24 24 THR CA C 24 58.807 59.049 -0.242 1 1 184 . 5 1 1 A 24 24 THR HA H 24 4.697 4.363 0.334 1 1 185 . 5 1 1 A 24 24 THR CB C 24 72.491 71.876 0.615 1 1 191 . 5 1 1 A 24 24 THR C C 24 173.941 174.664 -0.723 1 1 192 . 5 1 1 A 25 25 ASN N N 25 121.743 120.725 1.018 1 1 193 . 5 1 1 A 25 25 ASN H H 25 8.167 8.884 -0.717 1 1 194 . 5 1 1 A 25 25 ASN CA C 25 55.394 56.091 -0.697 1 1 195 . 5 1 1 A 25 25 ASN HA H 25 3.488 4.357 -0.869 1 1 196 . 5 1 1 A 25 25 ASN CB C 25 37.914 37.371 0.543 1 1 201 . 5 1 1 A 25 25 ASN C C 25 177.445 177.286 0.159 1 1 203 . 5 1 1 A 26 26 SER CA C 26 61.273 61.513 -0.240 1 1 204 . 5 1 1 A 26 26 SER HA H 26 4.001 4.002 -0.001 1 1 205 . 5 1 1 A 26 26 SER CB C 26 62.053 62.934 -0.881 1 1 207 . 5 1 1 A 26 26 SER C C 26 177.544 177.039 0.505 1 1 209 . 5 1 1 A 27 27 GLN N N 27 121.070 120.628 0.442 1 1 210 . 5 1 1 A 27 27 GLN H H 27 7.488 7.434 0.054 1 1 211 . 5 1 1 A 27 27 GLN CA C 27 58.360 58.701 -0.341 1 1 212 . 5 1 1 A 27 27 GLN HA H 27 3.904 3.912 -0.008 1 1 213 . 5 1 1 A 27 27 GLN CB C 27 28.821 28.481 0.340 1 1 220 . 5 1 1 A 27 27 GLN C C 27 178.094 177.894 0.200 1 1 223 . 5 1 1 A 28 28 CYS N N 28 120.697 118.454 2.243 1 1 224 . 5 1 1 A 28 28 CYS H H 28 7.220 7.744 -0.524 1 1 225 . 5 1 1 A 28 28 CYS CA C 28 61.758 62.502 -0.744 1 1 226 . 5 1 1 A 28 28 CYS HA H 28 2.831 2.571 0.260 1 1 227 . 5 1 1 A 28 28 CYS CB C 28 26.350 26.823 -0.473 1 1 229 . 5 1 1 A 28 28 CYS C C 28 175.755 176.877 -1.122 1 1 231 . 5 1 1 A 29 29 TYR N N 29 119.853 122.063 -2.210 1 1 232 . 5 1 1 A 29 29 TYR H H 29 8.676 7.992 0.684 1 1 233 . 5 1 1 A 29 29 TYR CA C 29 61.209 61.555 -0.346 1 1 234 . 5 1 1 A 29 29 TYR HA H 29 4.190 4.120 0.070 1 1 235 . 5 1 1 A 29 29 TYR CB C 29 37.680 38.572 -0.892 1 1 245 . 5 1 1 A 29 29 TYR C C 29 178.450 177.049 1.401 1 1 247 . 5 1 1 A 30 30 SER N N 30 113.870 116.266 -2.396 1 1 248 . 5 1 1 A 30 30 SER H H 30 7.941 8.245 -0.304 1 1 249 . 5 1 1 A 30 30 SER CA C 30 61.619 62.562 -0.943 1 1 250 . 5 1 1 A 30 30 SER HA H 30 3.929 4.151 -0.222 1 1 251 . 5 1 1 A 30 30 SER CB C 30 62.511 62.874 -0.363 1 1 253 . 5 1 1 A 30 30 SER C C 30 177.338 175.973 1.365 1 1 255 . 5 1 1 A 31 31 HIS N N 31 120.082 121.530 -1.448 1 1 256 . 5 1 1 A 31 31 HIS H H 31 7.472 7.626 -0.154 1 1 257 . 5 1 1 A 31 31 HIS CA C 31 59.031 59.563 -0.532 1 1 258 . 5 1 1 A 31 31 HIS HA H 31 4.166 4.339 -0.173 1 1 259 . 5 1 1 A 31 31 HIS CB C 31 27.883 29.706 -1.823 1 1 265 . 5 1 1 A 31 31 HIS C C 31 177.933 176.763 1.170 1 1 267 . 5 1 1 A 32 32 GLN N N 32 122.469 117.660 4.809 1 1 268 . 5 1 1 A 32 32 GLN H H 32 8.922 7.831 1.091 1 1 269 . 5 1 1 A 32 32 GLN CA C 32 59.712 59.226 0.486 1 1 270 . 5 1 1 A 32 32 GLN HA H 32 3.803 3.901 -0.098 1 1 271 . 5 1 1 A 32 32 GLN CB C 32 28.541 28.704 -0.163 1 1 278 . 5 1 1 A 32 32 GLN C C 32 178.714 177.999 0.715 1 1 281 . 5 1 1 A 33 33 ARG N N 33 117.875 118.819 -0.944 1 1 282 . 5 1 1 A 33 33 ARG H H 33 7.460 7.937 -0.477 1 1 283 . 5 1 1 A 33 33 ARG CA C 33 58.084 59.829 -1.745 1 1 284 . 5 1 1 A 33 33 ARG HA H 33 3.987 3.927 0.060 1 1 285 . 5 1 1 A 33 33 ARG CB C 33 29.643 30.105 -0.462 1 1 291 . 5 1 1 A 33 33 ARG C C 33 177.881 178.469 -0.588 1 1 295 . 5 1 1 A 34 34 SER N N 34 114.760 115.339 -0.579 1 1 296 . 5 1 1 A 34 34 SER H H 34 7.661 8.024 -0.363 1 1 297 . 5 1 1 A 34 34 SER CA C 34 60.528 61.775 -1.247 1 1 298 . 5 1 1 A 34 34 SER HA H 34 4.157 4.056 0.101 1 1 299 . 5 1 1 A 34 34 SER CB C 34 63.155 62.858 0.297 1 1 301 . 5 1 1 A 34 34 SER C C 34 175.370 175.044 0.326 1 1 303 . 5 1 1 A 35 35 HIS N N 35 119.408 117.695 1.713 1 1 304 . 5 1 1 A 35 35 HIS H H 35 7.149 7.675 -0.526 1 1 305 . 5 1 1 A 35 35 HIS CA C 35 56.612 57.326 -0.714 1 1 306 . 5 1 1 A 35 35 HIS HA H 35 4.591 4.335 0.256 1 1 307 . 5 1 1 A 35 35 HIS CB C 35 28.543 29.867 -1.324 1 1 313 . 5 1 1 A 35 35 HIS C C 35 175.587 175.189 0.398 1 1 315 . 5 1 1 A 36 36 SER N N 36 114.717 120.573 -5.856 1 1 316 . 5 1 1 A 36 36 SER H H 36 7.831 8.816 -0.985 1 1 317 . 5 1 1 A 36 36 SER CA C 36 58.643 58.919 -0.276 1 1 318 . 5 1 1 A 36 36 SER HA H 36 4.412 4.381 0.031 1 1 319 . 5 1 1 A 36 36 SER CB C 36 63.865 63.912 -0.047 1 1 320 . 5 1 1 A 36 36 SER C C 36 175.009 175.561 -0.552 1 1 322 . 5 1 1 A 37 37 GLY N N 37 110.718 113.443 -2.725 1 1 323 . 5 1 1 A 37 37 GLY H H 37 8.233 8.674 -0.441 1 1 324 . 5 1 1 A 37 37 GLY CA C 37 45.254 45.819 -0.565 1 1 325 . 5 1 1 A 37 37 GLY HA3 H 37 3.930 4.146 -0.216 1 1 326 . 5 1 1 A 37 37 GLY C C 37 174.063 174.125 -0.062 1 1 327 . 5 1 1 A 37 37 GLY HA2 H 37 3.930 4.145 -0.215 1 1 328 . 5 1 1 A 38 38 GLU N N 38 120.467 119.535 0.932 1 1 329 . 5 1 1 A 38 38 GLU H H 38 8.063 7.299 0.764 1 1 330 . 5 1 1 A 38 38 GLU CA C 38 56.324 55.759 0.565 1 1 331 . 5 1 1 A 38 38 GLU HA H 38 4.202 4.611 -0.409 1 1 332 . 5 1 1 A 38 38 GLU CB C 38 30.407 31.254 -0.847 1 1 336 . 5 1 1 A 38 38 GLU C C 38 176.234 175.400 0.834 1 1 339 . 5 1 1 A 39 39 LYS N N 39 123.848 123.129 0.719 1 1 340 . 5 1 1 A 39 39 LYS H H 39 8.379 8.548 -0.169 1 1 341 . 5 1 1 A 39 39 LYS CA C 39 54.044 53.005 1.039 1 1 342 . 5 1 1 A 39 39 LYS HA H 39 4.553 4.756 -0.203 1 1 343 . 5 1 1 A 39 39 LYS CB C 39 32.409 36.549 -4.140 1 1 351 . 5 1 1 A 39 39 LYS C C 39 174.964 174.720 0.244 1 1 356 . 5 1 1 A 40 40 PRO CA C 40 63.191 62.580 0.611 1 1 357 . 5 1 1 A 40 40 PRO HA H 40 4.410 4.674 -0.264 1 1 358 . 5 1 1 A 40 40 PRO CB C 40 32.091 32.958 -0.867 1 1 1 . 6 1 1 A 9 9 GLY CA C 9 45.245 44.608 0.637 1 1 2 . 6 1 1 A 9 9 GLY HA3 H 9 3.924 4.027 -0.103 1 1 3 . 6 1 1 A 9 9 GLY C C 9 174.036 172.556 1.480 1 1 4 . 6 1 1 A 9 9 GLY HA2 H 9 3.924 4.023 -0.099 1 1 5 . 6 1 1 A 10 10 GLU N N 10 120.696 118.837 1.859 1 1 6 . 6 1 1 A 10 10 GLU H H 10 8.207 8.631 -0.424 1 1 7 . 6 1 1 A 10 10 GLU CA C 10 56.534 54.893 1.641 1 1 8 . 6 1 1 A 10 10 GLU HA H 10 4.133 5.175 -1.042 1 1 9 . 6 1 1 A 10 10 GLU CB C 10 30.333 33.003 -2.670 1 1 13 . 6 1 1 A 10 10 GLU C C 10 175.895 175.322 0.573 1 1 16 . 6 1 1 A 11 11 LYS N N 11 122.388 120.850 1.538 1 1 17 . 6 1 1 A 11 11 LYS H H 11 8.194 8.230 -0.036 1 1 18 . 6 1 1 A 11 11 LYS CA C 11 53.829 53.240 0.589 1 1 19 . 6 1 1 A 11 11 LYS HA H 11 4.210 4.817 -0.607 1 1 20 . 6 1 1 A 11 11 LYS CB C 11 31.954 35.350 -3.396 1 1 28 . 6 1 1 A 11 11 LYS C C 11 174.474 176.321 -1.847 1 1 33 . 6 1 1 A 12 12 PRO CA C 12 64.016 64.265 -0.249 1 1 34 . 6 1 1 A 12 12 PRO HA H 12 4.100 4.262 -0.162 1 1 35 . 6 1 1 A 12 12 PRO CB C 12 32.091 32.188 -0.097 1 1 41 . 6 1 1 A 12 12 PRO C C 12 176.288 176.016 0.272 1 1 45 . 6 1 1 A 13 13 PHE N N 13 117.244 116.961 0.283 1 1 46 . 6 1 1 A 13 13 PHE H H 13 7.539 7.650 -0.111 1 1 47 . 6 1 1 A 13 13 PHE CA C 13 57.505 56.700 0.805 1 1 48 . 6 1 1 A 13 13 PHE HA H 13 4.650 5.098 -0.448 1 1 49 . 6 1 1 A 13 13 PHE CB C 13 39.645 42.902 -3.257 1 1 61 . 6 1 1 A 13 13 PHE C C 13 174.436 174.755 -0.319 1 1 63 . 6 1 1 A 14 14 LYS N N 14 123.175 120.491 2.684 1 1 64 . 6 1 1 A 14 14 LYS H H 14 8.664 9.112 -0.448 1 1 65 . 6 1 1 A 14 14 LYS CA C 14 54.292 54.483 -0.191 1 1 66 . 6 1 1 A 14 14 LYS HA H 14 5.102 5.591 -0.489 1 1 67 . 6 1 1 A 14 14 LYS CB C 14 34.850 36.149 -1.299 1 1 75 . 6 1 1 A 14 14 LYS C C 14 176.027 175.016 1.011 1 1 80 . 6 1 1 A 15 15 CYS N N 15 126.518 121.070 5.448 1 1 81 . 6 1 1 A 15 15 CYS H H 15 9.121 9.436 -0.315 1 1 82 . 6 1 1 A 15 15 CYS CA C 15 59.421 59.831 -0.410 1 1 83 . 6 1 1 A 15 15 CYS HA H 15 4.379 4.715 -0.336 1 1 84 . 6 1 1 A 15 15 CYS CB C 15 30.467 28.628 1.839 1 1 86 . 6 1 1 A 15 15 CYS C C 15 177.905 176.581 1.324 1 1 88 . 6 1 1 A 16 16 GLU N N 16 131.837 123.753 8.084 1 1 89 . 6 1 1 A 16 16 GLU H H 16 9.146 8.818 0.328 1 1 90 . 6 1 1 A 16 16 GLU CA C 16 58.767 58.231 0.536 1 1 91 . 6 1 1 A 16 16 GLU HA H 16 4.015 4.280 -0.265 1 1 92 . 6 1 1 A 16 16 GLU CB C 16 30.034 30.451 -0.417 1 1 96 . 6 1 1 A 16 16 GLU C C 16 176.586 178.588 -2.002 1 1 99 . 6 1 1 A 17 17 GLU N N 17 120.271 119.299 0.972 1 1 100 . 6 1 1 A 17 17 GLU H H 17 8.759 7.762 0.997 1 1 101 . 6 1 1 A 17 17 GLU CA C 17 58.156 58.617 -0.461 1 1 102 . 6 1 1 A 17 17 GLU HA H 17 4.187 3.960 0.227 1 1 103 . 6 1 1 A 17 17 GLU CB C 17 29.903 29.239 0.664 1 1 107 . 6 1 1 A 17 17 GLU C C 17 177.311 178.126 -0.815 1 1 110 . 6 1 1 A 18 18 CYS N N 18 115.586 114.944 0.642 1 1 111 . 6 1 1 A 18 18 CYS H H 18 8.194 7.903 0.291 1 1 112 . 6 1 1 A 18 18 CYS CA C 18 58.370 59.709 -1.339 1 1 113 . 6 1 1 A 18 18 CYS HA H 18 5.102 4.588 0.514 1 1 114 . 6 1 1 A 18 18 CYS CB C 18 32.475 29.425 3.050 1 1 116 . 6 1 1 A 18 18 CYS C C 18 176.599 175.364 1.235 1 1 118 . 6 1 1 A 19 19 GLY N N 19 113.385 109.626 3.759 1 1 119 . 6 1 1 A 19 19 GLY H H 19 8.078 7.942 0.136 1 1 120 . 6 1 1 A 19 19 GLY CA C 19 46.212 44.940 1.272 1 1 121 . 6 1 1 A 19 19 GLY HA3 H 19 4.170 4.050 0.120 1 1 122 . 6 1 1 A 19 19 GLY C C 19 173.387 174.430 -1.043 1 1 123 . 6 1 1 A 19 19 GLY HA2 H 19 3.725 4.026 -0.301 1 1 124 . 6 1 1 A 20 20 LYS N N 20 123.491 122.407 1.084 1 1 125 . 6 1 1 A 20 20 LYS H H 20 8.031 7.527 0.504 1 1 126 . 6 1 1 A 20 20 LYS CA C 20 58.327 56.938 1.389 1 1 127 . 6 1 1 A 20 20 LYS HA H 20 3.865 3.956 -0.091 1 1 128 . 6 1 1 A 20 20 LYS CB C 20 33.833 33.159 0.674 1 1 136 . 6 1 1 A 20 20 LYS C C 20 174.752 175.737 -0.985 1 1 141 . 6 1 1 A 21 21 GLY N N 21 108.772 111.919 -3.147 1 1 142 . 6 1 1 A 21 21 GLY H H 21 7.874 8.221 -0.347 1 1 143 . 6 1 1 A 21 21 GLY CA C 21 44.209 44.445 -0.236 1 1 144 . 6 1 1 A 21 21 GLY HA3 H 21 4.844 3.841 1.003 1 1 145 . 6 1 1 A 21 21 GLY C C 21 172.496 172.566 -0.070 1 1 146 . 6 1 1 A 21 21 GLY HA2 H 21 3.160 3.793 -0.633 1 1 147 . 6 1 1 A 22 22 PHE N N 22 117.732 119.855 -2.123 1 1 148 . 6 1 1 A 22 22 PHE H H 22 8.744 8.485 0.259 1 1 149 . 6 1 1 A 22 22 PHE CA C 22 57.105 56.324 0.781 1 1 150 . 6 1 1 A 22 22 PHE HA H 22 4.459 4.797 -0.338 1 1 151 . 6 1 1 A 22 22 PHE CB C 22 44.303 44.071 0.232 1 1 163 . 6 1 1 A 22 22 PHE C C 22 175.019 174.606 0.413 1 1 165 . 6 1 1 A 23 23 TYR N N 23 117.772 119.683 -1.911 1 1 166 . 6 1 1 A 23 23 TYR H H 23 8.874 8.730 0.144 1 1 167 . 6 1 1 A 23 23 TYR CA C 23 61.344 58.863 2.481 1 1 168 . 6 1 1 A 23 23 TYR HA H 23 4.596 5.023 -0.427 1 1 169 . 6 1 1 A 23 23 TYR CB C 23 39.493 41.088 -1.595 1 1 179 . 6 1 1 A 23 23 TYR C C 23 176.259 175.692 0.567 1 1 181 . 6 1 1 A 24 24 THR N N 24 104.091 110.303 -6.212 1 1 182 . 6 1 1 A 24 24 THR H H 24 7.364 7.706 -0.342 1 1 183 . 6 1 1 A 24 24 THR CA C 24 58.807 59.590 -0.783 1 1 184 . 6 1 1 A 24 24 THR HA H 24 4.697 4.381 0.316 1 1 185 . 6 1 1 A 24 24 THR CB C 24 72.491 70.947 1.544 1 1 191 . 6 1 1 A 24 24 THR C C 24 173.941 174.769 -0.828 1 1 192 . 6 1 1 A 25 25 ASN N N 25 121.743 123.205 -1.462 1 1 193 . 6 1 1 A 25 25 ASN H H 25 8.167 8.660 -0.493 1 1 194 . 6 1 1 A 25 25 ASN CA C 25 55.394 56.171 -0.777 1 1 195 . 6 1 1 A 25 25 ASN HA H 25 3.488 4.235 -0.747 1 1 196 . 6 1 1 A 25 25 ASN CB C 25 37.914 37.602 0.312 1 1 201 . 6 1 1 A 25 25 ASN C C 25 177.445 177.118 0.327 1 1 203 . 6 1 1 A 26 26 SER CA C 26 61.273 61.403 -0.130 1 1 204 . 6 1 1 A 26 26 SER HA H 26 4.001 3.987 0.014 1 1 205 . 6 1 1 A 26 26 SER CB C 26 62.053 62.958 -0.905 1 1 207 . 6 1 1 A 26 26 SER C C 26 177.544 177.150 0.394 1 1 209 . 6 1 1 A 27 27 GLN N N 27 121.070 120.776 0.294 1 1 210 . 6 1 1 A 27 27 GLN H H 27 7.488 7.676 -0.188 1 1 211 . 6 1 1 A 27 27 GLN CA C 27 58.360 58.814 -0.454 1 1 212 . 6 1 1 A 27 27 GLN HA H 27 3.904 3.930 -0.026 1 1 213 . 6 1 1 A 27 27 GLN CB C 27 28.821 28.414 0.407 1 1 220 . 6 1 1 A 27 27 GLN C C 27 178.094 177.915 0.179 1 1 223 . 6 1 1 A 28 28 CYS N N 28 120.697 118.536 2.161 1 1 224 . 6 1 1 A 28 28 CYS H H 28 7.220 7.692 -0.472 1 1 225 . 6 1 1 A 28 28 CYS CA C 28 61.758 62.482 -0.724 1 1 226 . 6 1 1 A 28 28 CYS HA H 28 2.831 2.348 0.483 1 1 227 . 6 1 1 A 28 28 CYS CB C 28 26.350 26.853 -0.503 1 1 229 . 6 1 1 A 28 28 CYS C C 28 175.755 176.770 -1.015 1 1 231 . 6 1 1 A 29 29 TYR N N 29 119.853 121.794 -1.941 1 1 232 . 6 1 1 A 29 29 TYR H H 29 8.676 8.004 0.672 1 1 233 . 6 1 1 A 29 29 TYR CA C 29 61.209 61.586 -0.377 1 1 234 . 6 1 1 A 29 29 TYR HA H 29 4.190 4.063 0.127 1 1 235 . 6 1 1 A 29 29 TYR CB C 29 37.680 38.405 -0.725 1 1 245 . 6 1 1 A 29 29 TYR C C 29 178.450 177.155 1.295 1 1 247 . 6 1 1 A 30 30 SER N N 30 113.870 114.258 -0.388 1 1 248 . 6 1 1 A 30 30 SER H H 30 7.941 8.460 -0.519 1 1 249 . 6 1 1 A 30 30 SER CA C 30 61.619 61.814 -0.195 1 1 250 . 6 1 1 A 30 30 SER HA H 30 3.929 4.038 -0.109 1 1 251 . 6 1 1 A 30 30 SER CB C 30 62.511 63.078 -0.567 1 1 253 . 6 1 1 A 30 30 SER C C 30 177.338 176.992 0.346 1 1 255 . 6 1 1 A 31 31 HIS N N 31 120.082 120.558 -0.476 1 1 256 . 6 1 1 A 31 31 HIS H H 31 7.472 7.395 0.077 1 1 257 . 6 1 1 A 31 31 HIS CA C 31 59.031 59.317 -0.286 1 1 258 . 6 1 1 A 31 31 HIS HA H 31 4.166 4.296 -0.130 1 1 259 . 6 1 1 A 31 31 HIS CB C 31 27.883 29.865 -1.982 1 1 265 . 6 1 1 A 31 31 HIS C C 31 177.933 176.857 1.076 1 1 267 . 6 1 1 A 32 32 GLN N N 32 122.469 117.754 4.715 1 1 268 . 6 1 1 A 32 32 GLN H H 32 8.922 7.860 1.062 1 1 269 . 6 1 1 A 32 32 GLN CA C 32 59.712 59.138 0.574 1 1 270 . 6 1 1 A 32 32 GLN HA H 32 3.803 3.939 -0.136 1 1 271 . 6 1 1 A 32 32 GLN CB C 32 28.541 28.510 0.031 1 1 278 . 6 1 1 A 32 32 GLN C C 32 178.714 177.962 0.752 1 1 281 . 6 1 1 A 33 33 ARG N N 33 117.875 118.889 -1.014 1 1 282 . 6 1 1 A 33 33 ARG H H 33 7.460 7.765 -0.305 1 1 283 . 6 1 1 A 33 33 ARG CA C 33 58.084 59.746 -1.662 1 1 284 . 6 1 1 A 33 33 ARG HA H 33 3.987 3.843 0.144 1 1 285 . 6 1 1 A 33 33 ARG CB C 33 29.643 30.061 -0.418 1 1 291 . 6 1 1 A 33 33 ARG C C 33 177.881 178.359 -0.478 1 1 295 . 6 1 1 A 34 34 SER N N 34 114.760 114.519 0.241 1 1 296 . 6 1 1 A 34 34 SER H H 34 7.661 8.034 -0.373 1 1 297 . 6 1 1 A 34 34 SER CA C 34 60.528 61.653 -1.125 1 1 298 . 6 1 1 A 34 34 SER HA H 34 4.157 4.006 0.151 1 1 299 . 6 1 1 A 34 34 SER CB C 34 63.155 62.720 0.435 1 1 301 . 6 1 1 A 34 34 SER C C 34 175.370 174.935 0.435 1 1 303 . 6 1 1 A 35 35 HIS N N 35 119.408 118.505 0.903 1 1 304 . 6 1 1 A 35 35 HIS H H 35 7.149 7.764 -0.615 1 1 305 . 6 1 1 A 35 35 HIS CA C 35 56.612 56.872 -0.260 1 1 306 . 6 1 1 A 35 35 HIS HA H 35 4.591 4.498 0.093 1 1 307 . 6 1 1 A 35 35 HIS CB C 35 28.543 30.279 -1.736 1 1 313 . 6 1 1 A 35 35 HIS C C 35 175.587 175.212 0.375 1 1 315 . 6 1 1 A 36 36 SER N N 36 114.717 117.975 -3.258 1 1 316 . 6 1 1 A 36 36 SER H H 36 7.831 8.658 -0.827 1 1 317 . 6 1 1 A 36 36 SER CA C 36 58.643 57.951 0.692 1 1 318 . 6 1 1 A 36 36 SER HA H 36 4.412 4.863 -0.451 1 1 319 . 6 1 1 A 36 36 SER CB C 36 63.865 64.582 -0.717 1 1 320 . 6 1 1 A 36 36 SER C C 36 175.009 174.474 0.535 1 1 322 . 6 1 1 A 37 37 GLY N N 37 110.718 109.767 0.951 1 1 323 . 6 1 1 A 37 37 GLY H H 37 8.233 8.440 -0.207 1 1 324 . 6 1 1 A 37 37 GLY CA C 37 45.254 45.007 0.247 1 1 325 . 6 1 1 A 37 37 GLY HA3 H 37 3.930 4.397 -0.467 1 1 326 . 6 1 1 A 37 37 GLY C C 37 174.063 172.691 1.372 1 1 327 . 6 1 1 A 37 37 GLY HA2 H 37 3.930 4.396 -0.466 1 1 328 . 6 1 1 A 38 38 GLU N N 38 120.467 116.583 3.884 1 1 329 . 6 1 1 A 38 38 GLU H H 38 8.063 9.004 -0.941 1 1 330 . 6 1 1 A 38 38 GLU CA C 38 56.324 54.799 1.525 1 1 331 . 6 1 1 A 38 38 GLU HA H 38 4.202 5.341 -1.139 1 1 332 . 6 1 1 A 38 38 GLU CB C 38 30.407 33.479 -3.072 1 1 336 . 6 1 1 A 38 38 GLU C C 38 176.234 174.508 1.726 1 1 339 . 6 1 1 A 39 39 LYS N N 39 123.848 122.068 1.780 1 1 340 . 6 1 1 A 39 39 LYS H H 39 8.379 8.655 -0.276 1 1 341 . 6 1 1 A 39 39 LYS CA C 39 54.044 53.193 0.851 1 1 342 . 6 1 1 A 39 39 LYS HA H 39 4.553 4.787 -0.234 1 1 343 . 6 1 1 A 39 39 LYS CB C 39 32.409 33.432 -1.023 1 1 351 . 6 1 1 A 39 39 LYS C C 39 174.964 176.256 -1.292 1 1 356 . 6 1 1 A 40 40 PRO CA C 40 63.191 63.985 -0.794 1 1 357 . 6 1 1 A 40 40 PRO HA H 40 4.410 4.470 -0.060 1 1 358 . 6 1 1 A 40 40 PRO CB C 40 32.091 32.059 0.032 1 1 1 . 7 1 1 A 9 9 GLY CA C 9 45.245 44.054 1.191 1 1 2 . 7 1 1 A 9 9 GLY HA3 H 9 3.924 4.102 -0.178 1 1 3 . 7 1 1 A 9 9 GLY C C 9 174.036 172.832 1.204 1 1 4 . 7 1 1 A 9 9 GLY HA2 H 9 3.924 4.095 -0.171 1 1 5 . 7 1 1 A 10 10 GLU N N 10 120.696 117.186 3.510 1 1 6 . 7 1 1 A 10 10 GLU H H 10 8.207 8.403 -0.196 1 1 7 . 7 1 1 A 10 10 GLU CA C 10 56.534 54.370 2.164 1 1 8 . 7 1 1 A 10 10 GLU HA H 10 4.133 5.002 -0.869 1 1 9 . 7 1 1 A 10 10 GLU CB C 10 30.333 32.191 -1.858 1 1 13 . 7 1 1 A 10 10 GLU C C 10 175.895 174.829 1.066 1 1 16 . 7 1 1 A 11 11 LYS N N 11 122.388 119.001 3.387 1 1 17 . 7 1 1 A 11 11 LYS H H 11 8.194 8.503 -0.309 1 1 18 . 7 1 1 A 11 11 LYS CA C 11 53.829 53.296 0.533 1 1 19 . 7 1 1 A 11 11 LYS HA H 11 4.210 4.830 -0.620 1 1 20 . 7 1 1 A 11 11 LYS CB C 11 31.954 33.592 -1.638 1 1 28 . 7 1 1 A 11 11 LYS C C 11 174.474 176.304 -1.830 1 1 33 . 7 1 1 A 12 12 PRO CA C 12 64.016 64.289 -0.273 1 1 34 . 7 1 1 A 12 12 PRO HA H 12 4.100 4.397 -0.297 1 1 35 . 7 1 1 A 12 12 PRO CB C 12 32.091 32.078 0.013 1 1 41 . 7 1 1 A 12 12 PRO C C 12 176.288 176.256 0.032 1 1 45 . 7 1 1 A 13 13 PHE N N 13 117.244 117.361 -0.117 1 1 46 . 7 1 1 A 13 13 PHE H H 13 7.539 7.721 -0.182 1 1 47 . 7 1 1 A 13 13 PHE CA C 13 57.505 56.625 0.880 1 1 48 . 7 1 1 A 13 13 PHE HA H 13 4.650 5.110 -0.460 1 1 49 . 7 1 1 A 13 13 PHE CB C 13 39.645 42.035 -2.390 1 1 61 . 7 1 1 A 13 13 PHE C C 13 174.436 174.885 -0.449 1 1 63 . 7 1 1 A 14 14 LYS N N 14 123.175 120.693 2.482 1 1 64 . 7 1 1 A 14 14 LYS H H 14 8.664 9.139 -0.475 1 1 65 . 7 1 1 A 14 14 LYS CA C 14 54.292 54.674 -0.382 1 1 66 . 7 1 1 A 14 14 LYS HA H 14 5.102 5.620 -0.518 1 1 67 . 7 1 1 A 14 14 LYS CB C 14 34.850 36.176 -1.326 1 1 75 . 7 1 1 A 14 14 LYS C C 14 176.027 175.211 0.816 1 1 80 . 7 1 1 A 15 15 CYS N N 15 126.518 121.460 5.058 1 1 81 . 7 1 1 A 15 15 CYS H H 15 9.121 9.296 -0.175 1 1 82 . 7 1 1 A 15 15 CYS CA C 15 59.421 60.179 -0.758 1 1 83 . 7 1 1 A 15 15 CYS HA H 15 4.379 4.556 -0.177 1 1 84 . 7 1 1 A 15 15 CYS CB C 15 30.467 28.686 1.781 1 1 86 . 7 1 1 A 15 15 CYS C C 15 177.905 176.479 1.426 1 1 88 . 7 1 1 A 16 16 GLU N N 16 131.837 124.570 7.267 1 1 89 . 7 1 1 A 16 16 GLU H H 16 9.146 8.891 0.255 1 1 90 . 7 1 1 A 16 16 GLU CA C 16 58.767 58.072 0.695 1 1 91 . 7 1 1 A 16 16 GLU HA H 16 4.015 4.216 -0.201 1 1 92 . 7 1 1 A 16 16 GLU CB C 16 30.034 30.191 -0.157 1 1 96 . 7 1 1 A 16 16 GLU C C 16 176.586 178.502 -1.916 1 1 99 . 7 1 1 A 17 17 GLU N N 17 120.271 119.209 1.062 1 1 100 . 7 1 1 A 17 17 GLU H H 17 8.759 7.627 1.132 1 1 101 . 7 1 1 A 17 17 GLU CA C 17 58.156 58.575 -0.419 1 1 102 . 7 1 1 A 17 17 GLU HA H 17 4.187 3.952 0.235 1 1 103 . 7 1 1 A 17 17 GLU CB C 17 29.903 29.213 0.690 1 1 107 . 7 1 1 A 17 17 GLU C C 17 177.311 177.943 -0.632 1 1 110 . 7 1 1 A 18 18 CYS N N 18 115.586 115.250 0.336 1 1 111 . 7 1 1 A 18 18 CYS H H 18 8.194 7.916 0.278 1 1 112 . 7 1 1 A 18 18 CYS CA C 18 58.370 59.741 -1.371 1 1 113 . 7 1 1 A 18 18 CYS HA H 18 5.102 4.650 0.452 1 1 114 . 7 1 1 A 18 18 CYS CB C 18 32.475 29.506 2.969 1 1 116 . 7 1 1 A 18 18 CYS C C 18 176.599 175.377 1.222 1 1 118 . 7 1 1 A 19 19 GLY N N 19 113.385 109.580 3.805 1 1 119 . 7 1 1 A 19 19 GLY H H 19 8.078 7.925 0.153 1 1 120 . 7 1 1 A 19 19 GLY CA C 19 46.212 45.031 1.181 1 1 121 . 7 1 1 A 19 19 GLY HA3 H 19 4.170 4.038 0.132 1 1 122 . 7 1 1 A 19 19 GLY C C 19 173.387 174.563 -1.176 1 1 123 . 7 1 1 A 19 19 GLY HA2 H 19 3.725 4.016 -0.291 1 1 124 . 7 1 1 A 20 20 LYS N N 20 123.491 122.472 1.019 1 1 125 . 7 1 1 A 20 20 LYS H H 20 8.031 7.525 0.506 1 1 126 . 7 1 1 A 20 20 LYS CA C 20 58.327 56.902 1.425 1 1 127 . 7 1 1 A 20 20 LYS HA H 20 3.865 3.939 -0.074 1 1 128 . 7 1 1 A 20 20 LYS CB C 20 33.833 33.135 0.698 1 1 136 . 7 1 1 A 20 20 LYS C C 20 174.752 175.706 -0.954 1 1 141 . 7 1 1 A 21 21 GLY N N 21 108.772 111.980 -3.208 1 1 142 . 7 1 1 A 21 21 GLY H H 21 7.874 8.274 -0.400 1 1 143 . 7 1 1 A 21 21 GLY CA C 21 44.209 44.387 -0.178 1 1 144 . 7 1 1 A 21 21 GLY HA3 H 21 4.844 3.853 0.991 1 1 145 . 7 1 1 A 21 21 GLY C C 21 172.496 172.411 0.085 1 1 146 . 7 1 1 A 21 21 GLY HA2 H 21 3.160 3.813 -0.653 1 1 147 . 7 1 1 A 22 22 PHE N N 22 117.732 120.875 -3.143 1 1 148 . 7 1 1 A 22 22 PHE H H 22 8.744 8.358 0.386 1 1 149 . 7 1 1 A 22 22 PHE CA C 22 57.105 56.613 0.492 1 1 150 . 7 1 1 A 22 22 PHE HA H 22 4.459 4.809 -0.350 1 1 151 . 7 1 1 A 22 22 PHE CB C 22 44.303 43.957 0.346 1 1 163 . 7 1 1 A 22 22 PHE C C 22 175.019 174.797 0.222 1 1 165 . 7 1 1 A 23 23 TYR N N 23 117.772 119.120 -1.348 1 1 166 . 7 1 1 A 23 23 TYR H H 23 8.874 9.100 -0.226 1 1 167 . 7 1 1 A 23 23 TYR CA C 23 61.344 57.996 3.348 1 1 168 . 7 1 1 A 23 23 TYR HA H 23 4.596 4.946 -0.350 1 1 169 . 7 1 1 A 23 23 TYR CB C 23 39.493 39.492 0.001 1 1 179 . 7 1 1 A 23 23 TYR C C 23 176.259 175.153 1.106 1 1 181 . 7 1 1 A 24 24 THR N N 24 104.091 113.471 -9.380 1 1 182 . 7 1 1 A 24 24 THR H H 24 7.364 7.791 -0.427 1 1 183 . 7 1 1 A 24 24 THR CA C 24 58.807 60.596 -1.789 1 1 184 . 7 1 1 A 24 24 THR HA H 24 4.697 4.201 0.496 1 1 185 . 7 1 1 A 24 24 THR CB C 24 72.491 69.751 2.740 1 1 191 . 7 1 1 A 24 24 THR C C 24 173.941 173.638 0.303 1 1 192 . 7 1 1 A 25 25 ASN N N 25 121.743 123.273 -1.530 1 1 193 . 7 1 1 A 25 25 ASN H H 25 8.167 8.635 -0.468 1 1 194 . 7 1 1 A 25 25 ASN CA C 25 55.394 56.092 -0.698 1 1 195 . 7 1 1 A 25 25 ASN HA H 25 3.488 4.349 -0.861 1 1 196 . 7 1 1 A 25 25 ASN CB C 25 37.914 37.058 0.856 1 1 201 . 7 1 1 A 25 25 ASN C C 25 177.445 177.591 -0.146 1 1 203 . 7 1 1 A 26 26 SER CA C 26 61.273 61.611 -0.338 1 1 204 . 7 1 1 A 26 26 SER HA H 26 4.001 4.015 -0.014 1 1 205 . 7 1 1 A 26 26 SER CB C 26 62.053 62.767 -0.714 1 1 207 . 7 1 1 A 26 26 SER C C 26 177.544 176.857 0.687 1 1 209 . 7 1 1 A 27 27 GLN N N 27 121.070 120.169 0.901 1 1 210 . 7 1 1 A 27 27 GLN H H 27 7.488 7.602 -0.114 1 1 211 . 7 1 1 A 27 27 GLN CA C 27 58.360 58.184 0.176 1 1 212 . 7 1 1 A 27 27 GLN HA H 27 3.904 4.103 -0.199 1 1 213 . 7 1 1 A 27 27 GLN CB C 27 28.821 28.175 0.646 1 1 220 . 7 1 1 A 27 27 GLN C C 27 178.094 177.798 0.296 1 1 223 . 7 1 1 A 28 28 CYS N N 28 120.697 119.145 1.552 1 1 224 . 7 1 1 A 28 28 CYS H H 28 7.220 7.496 -0.276 1 1 225 . 7 1 1 A 28 28 CYS CA C 28 61.758 62.095 -0.337 1 1 226 . 7 1 1 A 28 28 CYS HA H 28 2.831 2.104 0.727 1 1 227 . 7 1 1 A 28 28 CYS CB C 28 26.350 26.479 -0.129 1 1 229 . 7 1 1 A 28 28 CYS C C 28 175.755 176.745 -0.990 1 1 231 . 7 1 1 A 29 29 TYR N N 29 119.853 122.751 -2.898 1 1 232 . 7 1 1 A 29 29 TYR H H 29 8.676 7.950 0.726 1 1 233 . 7 1 1 A 29 29 TYR CA C 29 61.209 61.500 -0.291 1 1 234 . 7 1 1 A 29 29 TYR HA H 29 4.190 4.084 0.106 1 1 235 . 7 1 1 A 29 29 TYR CB C 29 37.680 38.545 -0.865 1 1 245 . 7 1 1 A 29 29 TYR C C 29 178.450 177.267 1.183 1 1 247 . 7 1 1 A 30 30 SER N N 30 113.870 114.306 -0.436 1 1 248 . 7 1 1 A 30 30 SER H H 30 7.941 8.393 -0.452 1 1 249 . 7 1 1 A 30 30 SER CA C 30 61.619 61.859 -0.240 1 1 250 . 7 1 1 A 30 30 SER HA H 30 3.929 4.050 -0.121 1 1 251 . 7 1 1 A 30 30 SER CB C 30 62.511 63.070 -0.559 1 1 253 . 7 1 1 A 30 30 SER C C 30 177.338 176.899 0.439 1 1 255 . 7 1 1 A 31 31 HIS N N 31 120.082 120.558 -0.476 1 1 256 . 7 1 1 A 31 31 HIS H H 31 7.472 7.112 0.360 1 1 257 . 7 1 1 A 31 31 HIS CA C 31 59.031 59.338 -0.307 1 1 258 . 7 1 1 A 31 31 HIS HA H 31 4.166 4.289 -0.123 1 1 259 . 7 1 1 A 31 31 HIS CB C 31 27.883 30.011 -2.128 1 1 265 . 7 1 1 A 31 31 HIS C C 31 177.933 177.330 0.603 1 1 267 . 7 1 1 A 32 32 GLN N N 32 122.469 117.331 5.138 1 1 268 . 7 1 1 A 32 32 GLN H H 32 8.922 7.992 0.930 1 1 269 . 7 1 1 A 32 32 GLN CA C 32 59.712 59.031 0.681 1 1 270 . 7 1 1 A 32 32 GLN HA H 32 3.803 3.849 -0.046 1 1 271 . 7 1 1 A 32 32 GLN CB C 32 28.541 28.120 0.421 1 1 278 . 7 1 1 A 32 32 GLN C C 32 178.714 178.210 0.504 1 1 281 . 7 1 1 A 33 33 ARG N N 33 117.875 120.708 -2.833 1 1 282 . 7 1 1 A 33 33 ARG H H 33 7.460 7.846 -0.386 1 1 283 . 7 1 1 A 33 33 ARG CA C 33 58.084 59.339 -1.255 1 1 284 . 7 1 1 A 33 33 ARG HA H 33 3.987 3.851 0.136 1 1 285 . 7 1 1 A 33 33 ARG CB C 33 29.643 29.713 -0.070 1 1 291 . 7 1 1 A 33 33 ARG C C 33 177.881 178.748 -0.867 1 1 295 . 7 1 1 A 34 34 SER N N 34 114.760 115.333 -0.573 1 1 296 . 7 1 1 A 34 34 SER H H 34 7.661 8.133 -0.472 1 1 297 . 7 1 1 A 34 34 SER CA C 34 60.528 61.584 -1.056 1 1 298 . 7 1 1 A 34 34 SER HA H 34 4.157 4.028 0.129 1 1 299 . 7 1 1 A 34 34 SER CB C 34 63.155 62.903 0.252 1 1 301 . 7 1 1 A 34 34 SER C C 34 175.370 174.879 0.491 1 1 303 . 7 1 1 A 35 35 HIS N N 35 119.408 118.549 0.859 1 1 304 . 7 1 1 A 35 35 HIS H H 35 7.149 7.175 -0.026 1 1 305 . 7 1 1 A 35 35 HIS CA C 35 56.612 57.067 -0.455 1 1 306 . 7 1 1 A 35 35 HIS HA H 35 4.591 4.513 0.078 1 1 307 . 7 1 1 A 35 35 HIS CB C 35 28.543 30.844 -2.301 1 1 313 . 7 1 1 A 35 35 HIS C C 35 175.587 175.376 0.211 1 1 315 . 7 1 1 A 36 36 SER N N 36 114.717 116.905 -2.188 1 1 316 . 7 1 1 A 36 36 SER H H 36 7.831 8.993 -1.162 1 1 317 . 7 1 1 A 36 36 SER CA C 36 58.643 57.716 0.927 1 1 318 . 7 1 1 A 36 36 SER HA H 36 4.412 4.928 -0.516 1 1 319 . 7 1 1 A 36 36 SER CB C 36 63.865 66.829 -2.964 1 1 320 . 7 1 1 A 36 36 SER C C 36 175.009 173.103 1.906 1 1 322 . 7 1 1 A 37 37 GLY N N 37 110.718 110.627 0.091 1 1 323 . 7 1 1 A 37 37 GLY H H 37 8.233 8.477 -0.244 1 1 324 . 7 1 1 A 37 37 GLY CA C 37 45.254 45.002 0.252 1 1 325 . 7 1 1 A 37 37 GLY HA3 H 37 3.930 4.388 -0.458 1 1 326 . 7 1 1 A 37 37 GLY C C 37 174.063 173.488 0.575 1 1 327 . 7 1 1 A 37 37 GLY HA2 H 37 3.930 4.386 -0.456 1 1 328 . 7 1 1 A 38 38 GLU N N 38 120.467 120.504 -0.037 1 1 329 . 7 1 1 A 38 38 GLU H H 38 8.063 8.771 -0.708 1 1 330 . 7 1 1 A 38 38 GLU CA C 38 56.324 56.007 0.317 1 1 331 . 7 1 1 A 38 38 GLU HA H 38 4.202 4.424 -0.222 1 1 332 . 7 1 1 A 38 38 GLU CB C 38 30.407 29.056 1.351 1 1 336 . 7 1 1 A 38 38 GLU C C 38 176.234 176.163 0.071 1 1 339 . 7 1 1 A 39 39 LYS N N 39 123.848 117.276 6.572 1 1 340 . 7 1 1 A 39 39 LYS H H 39 8.379 7.337 1.042 1 1 341 . 7 1 1 A 39 39 LYS CA C 39 54.044 53.962 0.082 1 1 342 . 7 1 1 A 39 39 LYS HA H 39 4.553 4.877 -0.324 1 1 343 . 7 1 1 A 39 39 LYS CB C 39 32.409 33.768 -1.359 1 1 351 . 7 1 1 A 39 39 LYS C C 39 174.964 174.786 0.178 1 1 356 . 7 1 1 A 40 40 PRO CA C 40 63.191 62.261 0.930 1 1 357 . 7 1 1 A 40 40 PRO HA H 40 4.410 4.680 -0.270 1 1 358 . 7 1 1 A 40 40 PRO CB C 40 32.091 29.982 2.109 1 1 1 . 8 1 1 A 9 9 GLY CA C 9 45.245 44.764 0.481 1 1 2 . 8 1 1 A 9 9 GLY HA3 H 9 3.924 4.181 -0.257 1 1 3 . 8 1 1 A 9 9 GLY C C 9 174.036 172.492 1.544 1 1 4 . 8 1 1 A 9 9 GLY HA2 H 9 3.924 4.176 -0.252 1 1 5 . 8 1 1 A 10 10 GLU N N 10 120.696 124.629 -3.933 1 1 6 . 8 1 1 A 10 10 GLU H H 10 8.207 8.663 -0.456 1 1 7 . 8 1 1 A 10 10 GLU CA C 10 56.534 54.869 1.665 1 1 8 . 8 1 1 A 10 10 GLU HA H 10 4.133 5.172 -1.039 1 1 9 . 8 1 1 A 10 10 GLU CB C 10 30.333 33.252 -2.919 1 1 13 . 8 1 1 A 10 10 GLU C C 10 175.895 174.542 1.353 1 1 16 . 8 1 1 A 11 11 LYS N N 11 122.388 125.246 -2.858 1 1 17 . 8 1 1 A 11 11 LYS H H 11 8.194 8.556 -0.362 1 1 18 . 8 1 1 A 11 11 LYS CA C 11 53.829 53.380 0.449 1 1 19 . 8 1 1 A 11 11 LYS HA H 11 4.210 4.816 -0.606 1 1 20 . 8 1 1 A 11 11 LYS CB C 11 31.954 33.427 -1.473 1 1 28 . 8 1 1 A 11 11 LYS C C 11 174.474 176.399 -1.925 1 1 33 . 8 1 1 A 12 12 PRO CA C 12 64.016 64.327 -0.311 1 1 34 . 8 1 1 A 12 12 PRO HA H 12 4.100 4.315 -0.215 1 1 35 . 8 1 1 A 12 12 PRO CB C 12 32.091 31.991 0.100 1 1 41 . 8 1 1 A 12 12 PRO C C 12 176.288 176.232 0.056 1 1 45 . 8 1 1 A 13 13 PHE N N 13 117.244 117.035 0.209 1 1 46 . 8 1 1 A 13 13 PHE H H 13 7.539 7.739 -0.200 1 1 47 . 8 1 1 A 13 13 PHE CA C 13 57.505 56.573 0.932 1 1 48 . 8 1 1 A 13 13 PHE HA H 13 4.650 5.073 -0.423 1 1 49 . 8 1 1 A 13 13 PHE CB C 13 39.645 42.025 -2.380 1 1 61 . 8 1 1 A 13 13 PHE C C 13 174.436 174.978 -0.542 1 1 63 . 8 1 1 A 14 14 LYS N N 14 123.175 120.538 2.637 1 1 64 . 8 1 1 A 14 14 LYS H H 14 8.664 9.210 -0.546 1 1 65 . 8 1 1 A 14 14 LYS CA C 14 54.292 54.483 -0.191 1 1 66 . 8 1 1 A 14 14 LYS HA H 14 5.102 5.222 -0.120 1 1 67 . 8 1 1 A 14 14 LYS CB C 14 34.850 36.067 -1.217 1 1 75 . 8 1 1 A 14 14 LYS C C 14 176.027 175.048 0.979 1 1 80 . 8 1 1 A 15 15 CYS N N 15 126.518 121.039 5.479 1 1 81 . 8 1 1 A 15 15 CYS H H 15 9.121 8.598 0.523 1 1 82 . 8 1 1 A 15 15 CYS CA C 15 59.421 59.986 -0.565 1 1 83 . 8 1 1 A 15 15 CYS HA H 15 4.379 4.694 -0.315 1 1 84 . 8 1 1 A 15 15 CYS CB C 15 30.467 28.480 1.987 1 1 86 . 8 1 1 A 15 15 CYS C C 15 177.905 176.727 1.178 1 1 88 . 8 1 1 A 16 16 GLU N N 16 131.837 123.508 8.329 1 1 89 . 8 1 1 A 16 16 GLU H H 16 9.146 8.815 0.331 1 1 90 . 8 1 1 A 16 16 GLU CA C 16 58.767 58.012 0.755 1 1 91 . 8 1 1 A 16 16 GLU HA H 16 4.015 4.211 -0.196 1 1 92 . 8 1 1 A 16 16 GLU CB C 16 30.034 30.331 -0.297 1 1 96 . 8 1 1 A 16 16 GLU C C 16 176.586 178.647 -2.061 1 1 99 . 8 1 1 A 17 17 GLU N N 17 120.271 119.312 0.959 1 1 100 . 8 1 1 A 17 17 GLU H H 17 8.759 7.638 1.121 1 1 101 . 8 1 1 A 17 17 GLU CA C 17 58.156 58.690 -0.534 1 1 102 . 8 1 1 A 17 17 GLU HA H 17 4.187 3.950 0.237 1 1 103 . 8 1 1 A 17 17 GLU CB C 17 29.903 29.270 0.633 1 1 107 . 8 1 1 A 17 17 GLU C C 17 177.311 178.150 -0.839 1 1 110 . 8 1 1 A 18 18 CYS N N 18 115.586 114.993 0.593 1 1 111 . 8 1 1 A 18 18 CYS H H 18 8.194 7.893 0.301 1 1 112 . 8 1 1 A 18 18 CYS CA C 18 58.370 59.745 -1.375 1 1 113 . 8 1 1 A 18 18 CYS HA H 18 5.102 4.597 0.505 1 1 114 . 8 1 1 A 18 18 CYS CB C 18 32.475 29.307 3.168 1 1 116 . 8 1 1 A 18 18 CYS C C 18 176.599 175.261 1.338 1 1 118 . 8 1 1 A 19 19 GLY N N 19 113.385 110.011 3.374 1 1 119 . 8 1 1 A 19 19 GLY H H 19 8.078 7.996 0.082 1 1 120 . 8 1 1 A 19 19 GLY CA C 19 46.212 44.980 1.232 1 1 121 . 8 1 1 A 19 19 GLY HA3 H 19 4.170 4.080 0.090 1 1 122 . 8 1 1 A 19 19 GLY C C 19 173.387 174.529 -1.142 1 1 123 . 8 1 1 A 19 19 GLY HA2 H 19 3.725 4.064 -0.339 1 1 124 . 8 1 1 A 20 20 LYS N N 20 123.491 122.310 1.181 1 1 125 . 8 1 1 A 20 20 LYS H H 20 8.031 7.414 0.617 1 1 126 . 8 1 1 A 20 20 LYS CA C 20 58.327 56.625 1.702 1 1 127 . 8 1 1 A 20 20 LYS HA H 20 3.865 4.000 -0.135 1 1 128 . 8 1 1 A 20 20 LYS CB C 20 33.833 33.083 0.750 1 1 136 . 8 1 1 A 20 20 LYS C C 20 174.752 175.266 -0.514 1 1 141 . 8 1 1 A 21 21 GLY N N 21 108.772 110.632 -1.860 1 1 142 . 8 1 1 A 21 21 GLY H H 21 7.874 7.830 0.044 1 1 143 . 8 1 1 A 21 21 GLY CA C 21 44.209 43.735 0.474 1 1 144 . 8 1 1 A 21 21 GLY HA3 H 21 4.844 4.033 0.811 1 1 145 . 8 1 1 A 21 21 GLY C C 21 172.496 171.980 0.516 1 1 146 . 8 1 1 A 21 21 GLY HA2 H 21 3.160 4.030 -0.870 1 1 147 . 8 1 1 A 22 22 PHE N N 22 117.732 121.653 -3.921 1 1 148 . 8 1 1 A 22 22 PHE H H 22 8.744 8.483 0.261 1 1 149 . 8 1 1 A 22 22 PHE CA C 22 57.105 56.783 0.322 1 1 150 . 8 1 1 A 22 22 PHE HA H 22 4.459 5.162 -0.703 1 1 151 . 8 1 1 A 22 22 PHE CB C 22 44.303 44.018 0.285 1 1 163 . 8 1 1 A 22 22 PHE C C 22 175.019 175.188 -0.169 1 1 165 . 8 1 1 A 23 23 TYR N N 23 117.772 120.152 -2.380 1 1 166 . 8 1 1 A 23 23 TYR H H 23 8.874 8.975 -0.101 1 1 167 . 8 1 1 A 23 23 TYR CA C 23 61.344 58.941 2.403 1 1 168 . 8 1 1 A 23 23 TYR HA H 23 4.596 4.891 -0.295 1 1 169 . 8 1 1 A 23 23 TYR CB C 23 39.493 40.710 -1.217 1 1 179 . 8 1 1 A 23 23 TYR C C 23 176.259 175.577 0.682 1 1 181 . 8 1 1 A 24 24 THR N N 24 104.091 110.451 -6.360 1 1 182 . 8 1 1 A 24 24 THR H H 24 7.364 7.764 -0.400 1 1 183 . 8 1 1 A 24 24 THR CA C 24 58.807 59.441 -0.634 1 1 184 . 8 1 1 A 24 24 THR HA H 24 4.697 4.380 0.317 1 1 185 . 8 1 1 A 24 24 THR CB C 24 72.491 71.260 1.231 1 1 191 . 8 1 1 A 24 24 THR C C 24 173.941 174.676 -0.735 1 1 192 . 8 1 1 A 25 25 ASN N N 25 121.743 121.811 -0.068 1 1 193 . 8 1 1 A 25 25 ASN H H 25 8.167 8.594 -0.427 1 1 194 . 8 1 1 A 25 25 ASN CA C 25 55.394 56.652 -1.258 1 1 195 . 8 1 1 A 25 25 ASN HA H 25 3.488 4.120 -0.632 1 1 196 . 8 1 1 A 25 25 ASN CB C 25 37.914 38.651 -0.737 1 1 201 . 8 1 1 A 25 25 ASN C C 25 177.445 176.952 0.493 1 1 203 . 8 1 1 A 26 26 SER CA C 26 61.273 61.423 -0.150 1 1 204 . 8 1 1 A 26 26 SER HA H 26 4.001 4.171 -0.170 1 1 205 . 8 1 1 A 26 26 SER CB C 26 62.053 62.334 -0.281 1 1 207 . 8 1 1 A 26 26 SER C C 26 177.544 176.921 0.623 1 1 209 . 8 1 1 A 27 27 GLN N N 27 121.070 121.018 0.052 1 1 210 . 8 1 1 A 27 27 GLN H H 27 7.488 7.507 -0.019 1 1 211 . 8 1 1 A 27 27 GLN CA C 27 58.360 58.216 0.144 1 1 212 . 8 1 1 A 27 27 GLN HA H 27 3.904 3.986 -0.082 1 1 213 . 8 1 1 A 27 27 GLN CB C 27 28.821 28.265 0.556 1 1 220 . 8 1 1 A 27 27 GLN C C 27 178.094 178.111 -0.017 1 1 223 . 8 1 1 A 28 28 CYS N N 28 120.697 118.771 1.926 1 1 224 . 8 1 1 A 28 28 CYS H H 28 7.220 7.620 -0.400 1 1 225 . 8 1 1 A 28 28 CYS CA C 28 61.758 62.683 -0.925 1 1 226 . 8 1 1 A 28 28 CYS HA H 28 2.831 2.951 -0.120 1 1 227 . 8 1 1 A 28 28 CYS CB C 28 26.350 26.132 0.218 1 1 229 . 8 1 1 A 28 28 CYS C C 28 175.755 176.809 -1.054 1 1 231 . 8 1 1 A 29 29 TYR N N 29 119.853 121.675 -1.822 1 1 232 . 8 1 1 A 29 29 TYR H H 29 8.676 8.225 0.451 1 1 233 . 8 1 1 A 29 29 TYR CA C 29 61.209 61.710 -0.501 1 1 234 . 8 1 1 A 29 29 TYR HA H 29 4.190 4.068 0.122 1 1 235 . 8 1 1 A 29 29 TYR CB C 29 37.680 38.519 -0.839 1 1 245 . 8 1 1 A 29 29 TYR C C 29 178.450 177.030 1.420 1 1 247 . 8 1 1 A 30 30 SER N N 30 113.870 116.128 -2.258 1 1 248 . 8 1 1 A 30 30 SER H H 30 7.941 8.112 -0.171 1 1 249 . 8 1 1 A 30 30 SER CA C 30 61.619 62.519 -0.900 1 1 250 . 8 1 1 A 30 30 SER HA H 30 3.929 4.160 -0.231 1 1 251 . 8 1 1 A 30 30 SER CB C 30 62.511 62.697 -0.186 1 1 253 . 8 1 1 A 30 30 SER C C 30 177.338 176.537 0.801 1 1 255 . 8 1 1 A 31 31 HIS N N 31 120.082 121.290 -1.208 1 1 256 . 8 1 1 A 31 31 HIS H H 31 7.472 7.363 0.109 1 1 257 . 8 1 1 A 31 31 HIS CA C 31 59.031 59.624 -0.593 1 1 258 . 8 1 1 A 31 31 HIS HA H 31 4.166 4.295 -0.129 1 1 259 . 8 1 1 A 31 31 HIS CB C 31 27.883 29.870 -1.987 1 1 265 . 8 1 1 A 31 31 HIS C C 31 177.933 177.346 0.587 1 1 267 . 8 1 1 A 32 32 GLN N N 32 122.469 118.258 4.211 1 1 268 . 8 1 1 A 32 32 GLN H H 32 8.922 8.214 0.708 1 1 269 . 8 1 1 A 32 32 GLN CA C 32 59.712 59.400 0.312 1 1 270 . 8 1 1 A 32 32 GLN HA H 32 3.803 3.934 -0.131 1 1 271 . 8 1 1 A 32 32 GLN CB C 32 28.541 28.017 0.524 1 1 278 . 8 1 1 A 32 32 GLN C C 32 178.714 178.626 0.088 1 1 281 . 8 1 1 A 33 33 ARG N N 33 117.875 120.158 -2.283 1 1 282 . 8 1 1 A 33 33 ARG H H 33 7.460 8.101 -0.641 1 1 283 . 8 1 1 A 33 33 ARG CA C 33 58.084 59.390 -1.306 1 1 284 . 8 1 1 A 33 33 ARG HA H 33 3.987 3.951 0.036 1 1 285 . 8 1 1 A 33 33 ARG CB C 33 29.643 29.896 -0.253 1 1 291 . 8 1 1 A 33 33 ARG C C 33 177.881 178.891 -1.010 1 1 295 . 8 1 1 A 34 34 SER N N 34 114.760 117.447 -2.687 1 1 296 . 8 1 1 A 34 34 SER H H 34 7.661 8.010 -0.349 1 1 297 . 8 1 1 A 34 34 SER CA C 34 60.528 62.251 -1.723 1 1 298 . 8 1 1 A 34 34 SER HA H 34 4.157 4.098 0.059 1 1 299 . 8 1 1 A 34 34 SER CB C 34 63.155 62.659 0.496 1 1 301 . 8 1 1 A 34 34 SER C C 34 175.370 175.490 -0.120 1 1 303 . 8 1 1 A 35 35 HIS N N 35 119.408 118.320 1.088 1 1 304 . 8 1 1 A 35 35 HIS H H 35 7.149 7.284 -0.135 1 1 305 . 8 1 1 A 35 35 HIS CA C 35 56.612 57.218 -0.606 1 1 306 . 8 1 1 A 35 35 HIS HA H 35 4.591 4.391 0.200 1 1 307 . 8 1 1 A 35 35 HIS CB C 35 28.543 29.839 -1.296 1 1 313 . 8 1 1 A 35 35 HIS C C 35 175.587 175.096 0.491 1 1 315 . 8 1 1 A 36 36 SER N N 36 114.717 120.720 -6.003 1 1 316 . 8 1 1 A 36 36 SER H H 36 7.831 9.059 -1.228 1 1 317 . 8 1 1 A 36 36 SER CA C 36 58.643 57.223 1.420 1 1 318 . 8 1 1 A 36 36 SER HA H 36 4.412 4.615 -0.203 1 1 319 . 8 1 1 A 36 36 SER CB C 36 63.865 63.712 0.153 1 1 320 . 8 1 1 A 36 36 SER C C 36 175.009 174.014 0.995 1 1 322 . 8 1 1 A 37 37 GLY N N 37 110.718 110.304 0.414 1 1 323 . 8 1 1 A 37 37 GLY H H 37 8.233 8.200 0.033 1 1 324 . 8 1 1 A 37 37 GLY CA C 37 45.254 45.678 -0.424 1 1 325 . 8 1 1 A 37 37 GLY HA3 H 37 3.930 4.037 -0.107 1 1 326 . 8 1 1 A 37 37 GLY C C 37 174.063 172.471 1.592 1 1 327 . 8 1 1 A 37 37 GLY HA2 H 37 3.930 4.031 -0.101 1 1 328 . 8 1 1 A 38 38 GLU N N 38 120.467 123.392 -2.925 1 1 329 . 8 1 1 A 38 38 GLU H H 38 8.063 8.742 -0.679 1 1 330 . 8 1 1 A 38 38 GLU CA C 38 56.324 55.096 1.228 1 1 331 . 8 1 1 A 38 38 GLU HA H 38 4.202 4.695 -0.493 1 1 332 . 8 1 1 A 38 38 GLU CB C 38 30.407 30.166 0.241 1 1 336 . 8 1 1 A 38 38 GLU C C 38 176.234 175.609 0.625 1 1 339 . 8 1 1 A 39 39 LYS N N 39 123.848 121.427 2.421 1 1 340 . 8 1 1 A 39 39 LYS H H 39 8.379 8.241 0.138 1 1 341 . 8 1 1 A 39 39 LYS CA C 39 54.044 53.971 0.073 1 1 342 . 8 1 1 A 39 39 LYS HA H 39 4.553 4.841 -0.288 1 1 343 . 8 1 1 A 39 39 LYS CB C 39 32.409 33.174 -0.765 1 1 351 . 8 1 1 A 39 39 LYS C C 39 174.964 174.814 0.150 1 1 356 . 8 1 1 A 40 40 PRO CA C 40 63.191 62.989 0.202 1 1 357 . 8 1 1 A 40 40 PRO HA H 40 4.410 4.516 -0.106 1 1 358 . 8 1 1 A 40 40 PRO CB C 40 32.091 32.565 -0.474 1 1 1 . 9 1 1 A 9 9 GLY CA C 9 45.245 44.644 0.601 1 1 2 . 9 1 1 A 9 9 GLY HA3 H 9 3.924 4.038 -0.114 1 1 3 . 9 1 1 A 9 9 GLY C C 9 174.036 173.522 0.514 1 1 4 . 9 1 1 A 9 9 GLY HA2 H 9 3.924 4.031 -0.107 1 1 5 . 9 1 1 A 10 10 GLU N N 10 120.696 118.184 2.512 1 1 6 . 9 1 1 A 10 10 GLU H H 10 8.207 8.436 -0.229 1 1 7 . 9 1 1 A 10 10 GLU CA C 10 56.534 56.030 0.504 1 1 8 . 9 1 1 A 10 10 GLU HA H 10 4.133 4.269 -0.136 1 1 9 . 9 1 1 A 10 10 GLU CB C 10 30.333 30.359 -0.026 1 1 13 . 9 1 1 A 10 10 GLU C C 10 175.895 176.374 -0.479 1 1 16 . 9 1 1 A 11 11 LYS N N 11 122.388 119.747 2.641 1 1 17 . 9 1 1 A 11 11 LYS H H 11 8.194 8.360 -0.166 1 1 18 . 9 1 1 A 11 11 LYS CA C 11 53.829 53.213 0.616 1 1 19 . 9 1 1 A 11 11 LYS HA H 11 4.210 4.795 -0.585 1 1 20 . 9 1 1 A 11 11 LYS CB C 11 31.954 34.792 -2.838 1 1 28 . 9 1 1 A 11 11 LYS C C 11 174.474 176.192 -1.718 1 1 33 . 9 1 1 A 12 12 PRO CA C 12 64.016 64.169 -0.153 1 1 34 . 9 1 1 A 12 12 PRO HA H 12 4.100 4.227 -0.127 1 1 35 . 9 1 1 A 12 12 PRO CB C 12 32.091 32.005 0.086 1 1 41 . 9 1 1 A 12 12 PRO C C 12 176.288 176.033 0.255 1 1 45 . 9 1 1 A 13 13 PHE N N 13 117.244 117.363 -0.119 1 1 46 . 9 1 1 A 13 13 PHE H H 13 7.539 7.662 -0.123 1 1 47 . 9 1 1 A 13 13 PHE CA C 13 57.505 56.652 0.853 1 1 48 . 9 1 1 A 13 13 PHE HA H 13 4.650 5.130 -0.480 1 1 49 . 9 1 1 A 13 13 PHE CB C 13 39.645 43.499 -3.854 1 1 61 . 9 1 1 A 13 13 PHE C C 13 174.436 174.797 -0.361 1 1 63 . 9 1 1 A 14 14 LYS N N 14 123.175 120.169 3.006 1 1 64 . 9 1 1 A 14 14 LYS H H 14 8.664 9.135 -0.471 1 1 65 . 9 1 1 A 14 14 LYS CA C 14 54.292 54.573 -0.281 1 1 66 . 9 1 1 A 14 14 LYS HA H 14 5.102 5.305 -0.203 1 1 67 . 9 1 1 A 14 14 LYS CB C 14 34.850 36.257 -1.407 1 1 75 . 9 1 1 A 14 14 LYS C C 14 176.027 175.079 0.948 1 1 80 . 9 1 1 A 15 15 CYS N N 15 126.518 121.350 5.168 1 1 81 . 9 1 1 A 15 15 CYS H H 15 9.121 9.112 0.009 1 1 82 . 9 1 1 A 15 15 CYS CA C 15 59.421 59.526 -0.105 1 1 83 . 9 1 1 A 15 15 CYS HA H 15 4.379 4.780 -0.401 1 1 84 . 9 1 1 A 15 15 CYS CB C 15 30.467 29.056 1.411 1 1 86 . 9 1 1 A 15 15 CYS C C 15 177.905 176.773 1.132 1 1 88 . 9 1 1 A 16 16 GLU N N 16 131.837 123.990 7.847 1 1 89 . 9 1 1 A 16 16 GLU H H 16 9.146 8.762 0.384 1 1 90 . 9 1 1 A 16 16 GLU CA C 16 58.767 58.227 0.540 1 1 91 . 9 1 1 A 16 16 GLU HA H 16 4.015 4.284 -0.269 1 1 92 . 9 1 1 A 16 16 GLU CB C 16 30.034 30.516 -0.482 1 1 96 . 9 1 1 A 16 16 GLU C C 16 176.586 178.584 -1.998 1 1 99 . 9 1 1 A 17 17 GLU N N 17 120.271 119.550 0.721 1 1 100 . 9 1 1 A 17 17 GLU H H 17 8.759 7.796 0.963 1 1 101 . 9 1 1 A 17 17 GLU CA C 17 58.156 58.622 -0.466 1 1 102 . 9 1 1 A 17 17 GLU HA H 17 4.187 3.958 0.229 1 1 103 . 9 1 1 A 17 17 GLU CB C 17 29.903 29.152 0.751 1 1 107 . 9 1 1 A 17 17 GLU C C 17 177.311 178.089 -0.778 1 1 110 . 9 1 1 A 18 18 CYS N N 18 115.586 114.816 0.770 1 1 111 . 9 1 1 A 18 18 CYS H H 18 8.194 7.897 0.297 1 1 112 . 9 1 1 A 18 18 CYS CA C 18 58.370 59.816 -1.446 1 1 113 . 9 1 1 A 18 18 CYS HA H 18 5.102 4.595 0.507 1 1 114 . 9 1 1 A 18 18 CYS CB C 18 32.475 29.131 3.344 1 1 116 . 9 1 1 A 18 18 CYS C C 18 176.599 175.277 1.322 1 1 118 . 9 1 1 A 19 19 GLY N N 19 113.385 110.075 3.310 1 1 119 . 9 1 1 A 19 19 GLY H H 19 8.078 8.025 0.053 1 1 120 . 9 1 1 A 19 19 GLY CA C 19 46.212 45.136 1.076 1 1 121 . 9 1 1 A 19 19 GLY HA3 H 19 4.170 4.098 0.072 1 1 122 . 9 1 1 A 19 19 GLY C C 19 173.387 174.591 -1.204 1 1 123 . 9 1 1 A 19 19 GLY HA2 H 19 3.725 4.066 -0.341 1 1 124 . 9 1 1 A 20 20 LYS N N 20 123.491 122.353 1.138 1 1 125 . 9 1 1 A 20 20 LYS H H 20 8.031 7.373 0.658 1 1 126 . 9 1 1 A 20 20 LYS CA C 20 58.327 56.092 2.235 1 1 127 . 9 1 1 A 20 20 LYS HA H 20 3.865 4.069 -0.204 1 1 128 . 9 1 1 A 20 20 LYS CB C 20 33.833 33.067 0.766 1 1 136 . 9 1 1 A 20 20 LYS C C 20 174.752 175.331 -0.579 1 1 141 . 9 1 1 A 21 21 GLY N N 21 108.772 110.110 -1.338 1 1 142 . 9 1 1 A 21 21 GLY H H 21 7.874 7.934 -0.060 1 1 143 . 9 1 1 A 21 21 GLY CA C 21 44.209 43.766 0.443 1 1 144 . 9 1 1 A 21 21 GLY HA3 H 21 4.844 4.059 0.785 1 1 145 . 9 1 1 A 21 21 GLY C C 21 172.496 171.554 0.942 1 1 146 . 9 1 1 A 21 21 GLY HA2 H 21 3.160 4.049 -0.889 1 1 147 . 9 1 1 A 22 22 PHE N N 22 117.732 122.323 -4.591 1 1 148 . 9 1 1 A 22 22 PHE H H 22 8.744 8.580 0.164 1 1 149 . 9 1 1 A 22 22 PHE CA C 22 57.105 56.849 0.256 1 1 150 . 9 1 1 A 22 22 PHE HA H 22 4.459 4.951 -0.492 1 1 151 . 9 1 1 A 22 22 PHE CB C 22 44.303 43.527 0.776 1 1 163 . 9 1 1 A 22 22 PHE C C 22 175.019 175.562 -0.543 1 1 165 . 9 1 1 A 23 23 TYR N N 23 117.772 120.794 -3.022 1 1 166 . 9 1 1 A 23 23 TYR H H 23 8.874 8.991 -0.117 1 1 167 . 9 1 1 A 23 23 TYR CA C 23 61.344 58.844 2.500 1 1 168 . 9 1 1 A 23 23 TYR HA H 23 4.596 4.829 -0.233 1 1 169 . 9 1 1 A 23 23 TYR CB C 23 39.493 40.178 -0.685 1 1 179 . 9 1 1 A 23 23 TYR C C 23 176.259 175.955 0.304 1 1 181 . 9 1 1 A 24 24 THR N N 24 104.091 109.494 -5.403 1 1 182 . 9 1 1 A 24 24 THR H H 24 7.364 7.664 -0.300 1 1 183 . 9 1 1 A 24 24 THR CA C 24 58.807 59.384 -0.577 1 1 184 . 9 1 1 A 24 24 THR HA H 24 4.697 4.603 0.094 1 1 185 . 9 1 1 A 24 24 THR CB C 24 72.491 71.901 0.590 1 1 191 . 9 1 1 A 24 24 THR C C 24 173.941 174.660 -0.719 1 1 192 . 9 1 1 A 25 25 ASN N N 25 121.743 121.506 0.237 1 1 193 . 9 1 1 A 25 25 ASN H H 25 8.167 8.520 -0.353 1 1 194 . 9 1 1 A 25 25 ASN CA C 25 55.394 56.604 -1.210 1 1 195 . 9 1 1 A 25 25 ASN HA H 25 3.488 3.827 -0.339 1 1 196 . 9 1 1 A 25 25 ASN CB C 25 37.914 38.463 -0.549 1 1 201 . 9 1 1 A 25 25 ASN C C 25 177.445 176.968 0.477 1 1 203 . 9 1 1 A 26 26 SER CA C 26 61.273 61.906 -0.633 1 1 204 . 9 1 1 A 26 26 SER HA H 26 4.001 4.074 -0.073 1 1 205 . 9 1 1 A 26 26 SER CB C 26 62.053 62.608 -0.555 1 1 207 . 9 1 1 A 26 26 SER C C 26 177.544 176.811 0.733 1 1 209 . 9 1 1 A 27 27 GLN N N 27 121.070 120.342 0.728 1 1 210 . 9 1 1 A 27 27 GLN H H 27 7.488 8.149 -0.661 1 1 211 . 9 1 1 A 27 27 GLN CA C 27 58.360 58.932 -0.572 1 1 212 . 9 1 1 A 27 27 GLN HA H 27 3.904 4.040 -0.136 1 1 213 . 9 1 1 A 27 27 GLN CB C 27 28.821 28.545 0.276 1 1 220 . 9 1 1 A 27 27 GLN C C 27 178.094 177.922 0.172 1 1 223 . 9 1 1 A 28 28 CYS N N 28 120.697 118.567 2.130 1 1 224 . 9 1 1 A 28 28 CYS H H 28 7.220 7.822 -0.602 1 1 225 . 9 1 1 A 28 28 CYS CA C 28 61.758 62.295 -0.537 1 1 226 . 9 1 1 A 28 28 CYS HA H 28 2.831 1.785 1.046 1 1 227 . 9 1 1 A 28 28 CYS CB C 28 26.350 26.760 -0.410 1 1 229 . 9 1 1 A 28 28 CYS C C 28 175.755 176.652 -0.897 1 1 231 . 9 1 1 A 29 29 TYR N N 29 119.853 121.836 -1.983 1 1 232 . 9 1 1 A 29 29 TYR H H 29 8.676 7.959 0.717 1 1 233 . 9 1 1 A 29 29 TYR CA C 29 61.209 61.463 -0.254 1 1 234 . 9 1 1 A 29 29 TYR HA H 29 4.190 4.099 0.091 1 1 235 . 9 1 1 A 29 29 TYR CB C 29 37.680 38.654 -0.974 1 1 245 . 9 1 1 A 29 29 TYR C C 29 178.450 177.509 0.941 1 1 247 . 9 1 1 A 30 30 SER N N 30 113.870 114.040 -0.170 1 1 248 . 9 1 1 A 30 30 SER H H 30 7.941 8.714 -0.773 1 1 249 . 9 1 1 A 30 30 SER CA C 30 61.619 61.192 0.427 1 1 250 . 9 1 1 A 30 30 SER HA H 30 3.929 4.159 -0.230 1 1 251 . 9 1 1 A 30 30 SER CB C 30 62.511 62.949 -0.438 1 1 253 . 9 1 1 A 30 30 SER C C 30 177.338 176.758 0.580 1 1 255 . 9 1 1 A 31 31 HIS N N 31 120.082 120.597 -0.515 1 1 256 . 9 1 1 A 31 31 HIS H H 31 7.472 7.424 0.048 1 1 257 . 9 1 1 A 31 31 HIS CA C 31 59.031 59.184 -0.153 1 1 258 . 9 1 1 A 31 31 HIS HA H 31 4.166 4.232 -0.066 1 1 259 . 9 1 1 A 31 31 HIS CB C 31 27.883 30.180 -2.297 1 1 265 . 9 1 1 A 31 31 HIS C C 31 177.933 176.913 1.020 1 1 267 . 9 1 1 A 32 32 GLN N N 32 122.469 117.653 4.816 1 1 268 . 9 1 1 A 32 32 GLN H H 32 8.922 7.909 1.013 1 1 269 . 9 1 1 A 32 32 GLN CA C 32 59.712 59.047 0.665 1 1 270 . 9 1 1 A 32 32 GLN HA H 32 3.803 3.926 -0.123 1 1 271 . 9 1 1 A 32 32 GLN CB C 32 28.541 28.192 0.349 1 1 278 . 9 1 1 A 32 32 GLN C C 32 178.714 178.220 0.494 1 1 281 . 9 1 1 A 33 33 ARG N N 33 117.875 118.633 -0.758 1 1 282 . 9 1 1 A 33 33 ARG H H 33 7.460 7.920 -0.460 1 1 283 . 9 1 1 A 33 33 ARG CA C 33 58.084 58.792 -0.708 1 1 284 . 9 1 1 A 33 33 ARG HA H 33 3.987 4.076 -0.089 1 1 285 . 9 1 1 A 33 33 ARG CB C 33 29.643 29.795 -0.152 1 1 291 . 9 1 1 A 33 33 ARG C C 33 177.881 178.413 -0.532 1 1 295 . 9 1 1 A 34 34 SER N N 34 114.760 115.007 -0.247 1 1 296 . 9 1 1 A 34 34 SER H H 34 7.661 7.942 -0.281 1 1 297 . 9 1 1 A 34 34 SER CA C 34 60.528 61.047 -0.519 1 1 298 . 9 1 1 A 34 34 SER HA H 34 4.157 4.060 0.097 1 1 299 . 9 1 1 A 34 34 SER CB C 34 63.155 62.871 0.284 1 1 301 . 9 1 1 A 34 34 SER C C 34 175.370 174.929 0.441 1 1 303 . 9 1 1 A 35 35 HIS N N 35 119.408 119.004 0.404 1 1 304 . 9 1 1 A 35 35 HIS H H 35 7.149 7.101 0.048 1 1 305 . 9 1 1 A 35 35 HIS CA C 35 56.612 56.721 -0.109 1 1 306 . 9 1 1 A 35 35 HIS HA H 35 4.591 4.473 0.118 1 1 307 . 9 1 1 A 35 35 HIS CB C 35 28.543 30.442 -1.899 1 1 313 . 9 1 1 A 35 35 HIS C C 35 175.587 175.030 0.557 1 1 315 . 9 1 1 A 36 36 SER N N 36 114.717 116.116 -1.399 1 1 316 . 9 1 1 A 36 36 SER H H 36 7.831 8.802 -0.971 1 1 317 . 9 1 1 A 36 36 SER CA C 36 58.643 57.211 1.432 1 1 318 . 9 1 1 A 36 36 SER HA H 36 4.412 4.810 -0.398 1 1 319 . 9 1 1 A 36 36 SER CB C 36 63.865 63.467 0.398 1 1 320 . 9 1 1 A 36 36 SER C C 36 175.009 174.677 0.332 1 1 322 . 9 1 1 A 37 37 GLY N N 37 110.718 112.796 -2.078 1 1 323 . 9 1 1 A 37 37 GLY H H 37 8.233 8.688 -0.455 1 1 324 . 9 1 1 A 37 37 GLY CA C 37 45.254 46.598 -1.344 1 1 325 . 9 1 1 A 37 37 GLY HA3 H 37 3.930 3.888 0.042 1 1 326 . 9 1 1 A 37 37 GLY C C 37 174.063 173.496 0.567 1 1 327 . 9 1 1 A 37 37 GLY HA2 H 37 3.930 3.883 0.047 1 1 328 . 9 1 1 A 38 38 GLU N N 38 120.467 122.715 -2.248 1 1 329 . 9 1 1 A 38 38 GLU H H 38 8.063 8.417 -0.354 1 1 330 . 9 1 1 A 38 38 GLU CA C 38 56.324 54.493 1.831 1 1 331 . 9 1 1 A 38 38 GLU HA H 38 4.202 5.170 -0.968 1 1 332 . 9 1 1 A 38 38 GLU CB C 38 30.407 33.882 -3.475 1 1 336 . 9 1 1 A 38 38 GLU C C 38 176.234 174.491 1.743 1 1 339 . 9 1 1 A 39 39 LYS N N 39 123.848 124.239 -0.391 1 1 340 . 9 1 1 A 39 39 LYS H H 39 8.379 8.908 -0.529 1 1 341 . 9 1 1 A 39 39 LYS CA C 39 54.044 52.820 1.224 1 1 342 . 9 1 1 A 39 39 LYS HA H 39 4.553 4.914 -0.361 1 1 343 . 9 1 1 A 39 39 LYS CB C 39 32.409 35.701 -3.292 1 1 351 . 9 1 1 A 39 39 LYS C C 39 174.964 175.857 -0.893 1 1 356 . 9 1 1 A 40 40 PRO CA C 40 63.191 63.586 -0.395 1 1 357 . 9 1 1 A 40 40 PRO HA H 40 4.410 4.551 -0.141 1 1 358 . 9 1 1 A 40 40 PRO CB C 40 32.091 32.159 -0.068 1 1 1 . 10 1 1 A 9 9 GLY CA C 9 45.245 47.033 -1.788 1 1 2 . 10 1 1 A 9 9 GLY HA3 H 9 3.924 3.906 0.018 1 1 3 . 10 1 1 A 9 9 GLY C C 9 174.036 174.213 -0.177 1 1 4 . 10 1 1 A 9 9 GLY HA2 H 9 3.924 3.897 0.027 1 1 5 . 10 1 1 A 10 10 GLU N N 10 120.696 120.240 0.456 1 1 6 . 10 1 1 A 10 10 GLU H H 10 8.207 8.109 0.098 1 1 7 . 10 1 1 A 10 10 GLU CA C 10 56.534 55.512 1.022 1 1 8 . 10 1 1 A 10 10 GLU HA H 10 4.133 4.727 -0.594 1 1 9 . 10 1 1 A 10 10 GLU CB C 10 30.333 31.250 -0.917 1 1 13 . 10 1 1 A 10 10 GLU C C 10 175.895 175.321 0.574 1 1 16 . 10 1 1 A 11 11 LYS N N 11 122.388 125.679 -3.291 1 1 17 . 10 1 1 A 11 11 LYS H H 11 8.194 8.322 -0.128 1 1 18 . 10 1 1 A 11 11 LYS CA C 11 53.829 53.243 0.586 1 1 19 . 10 1 1 A 11 11 LYS HA H 11 4.210 4.722 -0.512 1 1 20 . 10 1 1 A 11 11 LYS CB C 11 31.954 33.968 -2.014 1 1 28 . 10 1 1 A 11 11 LYS C C 11 174.474 176.226 -1.752 1 1 33 . 10 1 1 A 12 12 PRO CA C 12 64.016 64.110 -0.094 1 1 34 . 10 1 1 A 12 12 PRO HA H 12 4.100 4.223 -0.123 1 1 35 . 10 1 1 A 12 12 PRO CB C 12 32.091 31.836 0.255 1 1 41 . 10 1 1 A 12 12 PRO C C 12 176.288 175.954 0.334 1 1 45 . 10 1 1 A 13 13 PHE N N 13 117.244 117.321 -0.077 1 1 46 . 10 1 1 A 13 13 PHE H H 13 7.539 7.642 -0.103 1 1 47 . 10 1 1 A 13 13 PHE CA C 13 57.505 56.663 0.842 1 1 48 . 10 1 1 A 13 13 PHE HA H 13 4.650 5.104 -0.454 1 1 49 . 10 1 1 A 13 13 PHE CB C 13 39.645 42.138 -2.493 1 1 61 . 10 1 1 A 13 13 PHE C C 13 174.436 174.874 -0.438 1 1 63 . 10 1 1 A 14 14 LYS N N 14 123.175 120.645 2.530 1 1 64 . 10 1 1 A 14 14 LYS H H 14 8.664 9.165 -0.501 1 1 65 . 10 1 1 A 14 14 LYS CA C 14 54.292 54.463 -0.171 1 1 66 . 10 1 1 A 14 14 LYS HA H 14 5.102 5.154 -0.052 1 1 67 . 10 1 1 A 14 14 LYS CB C 14 34.850 36.097 -1.247 1 1 75 . 10 1 1 A 14 14 LYS C C 14 176.027 175.006 1.021 1 1 80 . 10 1 1 A 15 15 CYS N N 15 126.518 121.021 5.497 1 1 81 . 10 1 1 A 15 15 CYS H H 15 9.121 8.524 0.597 1 1 82 . 10 1 1 A 15 15 CYS CA C 15 59.421 60.041 -0.620 1 1 83 . 10 1 1 A 15 15 CYS HA H 15 4.379 4.662 -0.283 1 1 84 . 10 1 1 A 15 15 CYS CB C 15 30.467 28.429 2.038 1 1 86 . 10 1 1 A 15 15 CYS C C 15 177.905 176.495 1.410 1 1 88 . 10 1 1 A 16 16 GLU N N 16 131.837 123.516 8.321 1 1 89 . 10 1 1 A 16 16 GLU H H 16 9.146 8.870 0.276 1 1 90 . 10 1 1 A 16 16 GLU CA C 16 58.767 58.118 0.649 1 1 91 . 10 1 1 A 16 16 GLU HA H 16 4.015 4.161 -0.146 1 1 92 . 10 1 1 A 16 16 GLU CB C 16 30.034 30.258 -0.224 1 1 96 . 10 1 1 A 16 16 GLU C C 16 176.586 178.568 -1.982 1 1 99 . 10 1 1 A 17 17 GLU N N 17 120.271 119.477 0.794 1 1 100 . 10 1 1 A 17 17 GLU H H 17 8.759 7.611 1.148 1 1 101 . 10 1 1 A 17 17 GLU CA C 17 58.156 58.692 -0.536 1 1 102 . 10 1 1 A 17 17 GLU HA H 17 4.187 3.985 0.202 1 1 103 . 10 1 1 A 17 17 GLU CB C 17 29.903 29.365 0.538 1 1 107 . 10 1 1 A 17 17 GLU C C 17 177.311 178.161 -0.850 1 1 110 . 10 1 1 A 18 18 CYS N N 18 115.586 114.768 0.818 1 1 111 . 10 1 1 A 18 18 CYS H H 18 8.194 7.828 0.366 1 1 112 . 10 1 1 A 18 18 CYS CA C 18 58.370 59.777 -1.407 1 1 113 . 10 1 1 A 18 18 CYS HA H 18 5.102 4.579 0.523 1 1 114 . 10 1 1 A 18 18 CYS CB C 18 32.475 29.171 3.304 1 1 116 . 10 1 1 A 18 18 CYS C C 18 176.599 175.239 1.360 1 1 118 . 10 1 1 A 19 19 GLY N N 19 113.385 109.926 3.459 1 1 119 . 10 1 1 A 19 19 GLY H H 19 8.078 7.936 0.142 1 1 120 . 10 1 1 A 19 19 GLY CA C 19 46.212 44.953 1.259 1 1 121 . 10 1 1 A 19 19 GLY HA3 H 19 4.170 4.053 0.117 1 1 122 . 10 1 1 A 19 19 GLY C C 19 173.387 174.405 -1.018 1 1 123 . 10 1 1 A 19 19 GLY HA2 H 19 3.725 4.044 -0.319 1 1 124 . 10 1 1 A 20 20 LYS N N 20 123.491 122.258 1.233 1 1 125 . 10 1 1 A 20 20 LYS H H 20 8.031 7.294 0.737 1 1 126 . 10 1 1 A 20 20 LYS CA C 20 58.327 56.533 1.794 1 1 127 . 10 1 1 A 20 20 LYS HA H 20 3.865 3.978 -0.113 1 1 128 . 10 1 1 A 20 20 LYS CB C 20 33.833 32.847 0.986 1 1 136 . 10 1 1 A 20 20 LYS C C 20 174.752 175.422 -0.670 1 1 141 . 10 1 1 A 21 21 GLY N N 21 108.772 110.815 -2.043 1 1 142 . 10 1 1 A 21 21 GLY H H 21 7.874 7.945 -0.071 1 1 143 . 10 1 1 A 21 21 GLY CA C 21 44.209 43.936 0.273 1 1 144 . 10 1 1 A 21 21 GLY HA3 H 21 4.844 4.021 0.823 1 1 145 . 10 1 1 A 21 21 GLY C C 21 172.496 171.595 0.901 1 1 146 . 10 1 1 A 21 21 GLY HA2 H 21 3.160 3.987 -0.827 1 1 147 . 10 1 1 A 22 22 PHE N N 22 117.732 122.514 -4.782 1 1 148 . 10 1 1 A 22 22 PHE H H 22 8.744 8.694 0.050 1 1 149 . 10 1 1 A 22 22 PHE CA C 22 57.105 56.895 0.210 1 1 150 . 10 1 1 A 22 22 PHE HA H 22 4.459 5.008 -0.549 1 1 151 . 10 1 1 A 22 22 PHE CB C 22 44.303 43.536 0.767 1 1 163 . 10 1 1 A 22 22 PHE C C 22 175.019 175.358 -0.339 1 1 165 . 10 1 1 A 23 23 TYR N N 23 117.772 120.316 -2.544 1 1 166 . 10 1 1 A 23 23 TYR H H 23 8.874 9.021 -0.147 1 1 167 . 10 1 1 A 23 23 TYR CA C 23 61.344 59.115 2.229 1 1 168 . 10 1 1 A 23 23 TYR HA H 23 4.596 4.859 -0.263 1 1 169 . 10 1 1 A 23 23 TYR CB C 23 39.493 40.619 -1.126 1 1 179 . 10 1 1 A 23 23 TYR C C 23 176.259 175.740 0.519 1 1 181 . 10 1 1 A 24 24 THR N N 24 104.091 110.469 -6.378 1 1 182 . 10 1 1 A 24 24 THR H H 24 7.364 7.863 -0.499 1 1 183 . 10 1 1 A 24 24 THR CA C 24 58.807 59.198 -0.391 1 1 184 . 10 1 1 A 24 24 THR HA H 24 4.697 4.479 0.218 1 1 185 . 10 1 1 A 24 24 THR CB C 24 72.491 71.145 1.346 1 1 191 . 10 1 1 A 24 24 THR C C 24 173.941 174.701 -0.760 1 1 192 . 10 1 1 A 25 25 ASN N N 25 121.743 120.996 0.747 1 1 193 . 10 1 1 A 25 25 ASN H H 25 8.167 8.555 -0.388 1 1 194 . 10 1 1 A 25 25 ASN CA C 25 55.394 56.445 -1.051 1 1 195 . 10 1 1 A 25 25 ASN HA H 25 3.488 3.807 -0.319 1 1 196 . 10 1 1 A 25 25 ASN CB C 25 37.914 38.582 -0.668 1 1 201 . 10 1 1 A 25 25 ASN C C 25 177.445 176.900 0.545 1 1 203 . 10 1 1 A 26 26 SER CA C 26 61.273 61.591 -0.318 1 1 204 . 10 1 1 A 26 26 SER HA H 26 4.001 4.047 -0.046 1 1 205 . 10 1 1 A 26 26 SER CB C 26 62.053 62.682 -0.629 1 1 207 . 10 1 1 A 26 26 SER C C 26 177.544 176.661 0.883 1 1 209 . 10 1 1 A 27 27 GLN N N 27 121.070 120.401 0.669 1 1 210 . 10 1 1 A 27 27 GLN H H 27 7.488 7.869 -0.381 1 1 211 . 10 1 1 A 27 27 GLN CA C 27 58.360 58.614 -0.254 1 1 212 . 10 1 1 A 27 27 GLN HA H 27 3.904 3.914 -0.010 1 1 213 . 10 1 1 A 27 27 GLN CB C 27 28.821 28.338 0.483 1 1 220 . 10 1 1 A 27 27 GLN C C 27 178.094 177.956 0.138 1 1 223 . 10 1 1 A 28 28 CYS N N 28 120.697 118.776 1.921 1 1 224 . 10 1 1 A 28 28 CYS H H 28 7.220 7.643 -0.423 1 1 225 . 10 1 1 A 28 28 CYS CA C 28 61.758 62.817 -1.059 1 1 226 . 10 1 1 A 28 28 CYS HA H 28 2.831 3.230 -0.399 1 1 227 . 10 1 1 A 28 28 CYS CB C 28 26.350 26.651 -0.301 1 1 229 . 10 1 1 A 28 28 CYS C C 28 175.755 177.003 -1.248 1 1 231 . 10 1 1 A 29 29 TYR N N 29 119.853 121.751 -1.898 1 1 232 . 10 1 1 A 29 29 TYR H H 29 8.676 8.160 0.516 1 1 233 . 10 1 1 A 29 29 TYR CA C 29 61.209 61.691 -0.482 1 1 234 . 10 1 1 A 29 29 TYR HA H 29 4.190 4.087 0.103 1 1 235 . 10 1 1 A 29 29 TYR CB C 29 37.680 38.524 -0.844 1 1 245 . 10 1 1 A 29 29 TYR C C 29 178.450 177.118 1.332 1 1 247 . 10 1 1 A 30 30 SER N N 30 113.870 114.601 -0.731 1 1 248 . 10 1 1 A 30 30 SER H H 30 7.941 8.301 -0.360 1 1 249 . 10 1 1 A 30 30 SER CA C 30 61.619 61.955 -0.336 1 1 250 . 10 1 1 A 30 30 SER HA H 30 3.929 4.082 -0.153 1 1 251 . 10 1 1 A 30 30 SER CB C 30 62.511 63.009 -0.498 1 1 253 . 10 1 1 A 30 30 SER C C 30 177.338 177.089 0.249 1 1 255 . 10 1 1 A 31 31 HIS N N 31 120.082 121.249 -1.167 1 1 256 . 10 1 1 A 31 31 HIS H H 31 7.472 7.853 -0.381 1 1 257 . 10 1 1 A 31 31 HIS CA C 31 59.031 60.008 -0.977 1 1 258 . 10 1 1 A 31 31 HIS HA H 31 4.166 4.185 -0.019 1 1 259 . 10 1 1 A 31 31 HIS CB C 31 27.883 29.552 -1.669 1 1 265 . 10 1 1 A 31 31 HIS C C 31 177.933 176.906 1.027 1 1 267 . 10 1 1 A 32 32 GLN N N 32 122.469 117.686 4.783 1 1 268 . 10 1 1 A 32 32 GLN H H 32 8.922 8.036 0.886 1 1 269 . 10 1 1 A 32 32 GLN CA C 32 59.712 59.313 0.399 1 1 270 . 10 1 1 A 32 32 GLN HA H 32 3.803 4.056 -0.253 1 1 271 . 10 1 1 A 32 32 GLN CB C 32 28.541 28.675 -0.134 1 1 278 . 10 1 1 A 32 32 GLN C C 32 178.714 178.197 0.517 1 1 281 . 10 1 1 A 33 33 ARG N N 33 117.875 118.899 -1.024 1 1 282 . 10 1 1 A 33 33 ARG H H 33 7.460 8.025 -0.565 1 1 283 . 10 1 1 A 33 33 ARG CA C 33 58.084 59.681 -1.597 1 1 284 . 10 1 1 A 33 33 ARG HA H 33 3.987 4.038 -0.051 1 1 285 . 10 1 1 A 33 33 ARG CB C 33 29.643 29.911 -0.268 1 1 291 . 10 1 1 A 33 33 ARG C C 33 177.881 178.448 -0.567 1 1 295 . 10 1 1 A 34 34 SER N N 34 114.760 115.089 -0.329 1 1 296 . 10 1 1 A 34 34 SER H H 34 7.661 8.266 -0.605 1 1 297 . 10 1 1 A 34 34 SER CA C 34 60.528 61.760 -1.232 1 1 298 . 10 1 1 A 34 34 SER HA H 34 4.157 4.076 0.081 1 1 299 . 10 1 1 A 34 34 SER CB C 34 63.155 62.800 0.355 1 1 301 . 10 1 1 A 34 34 SER C C 34 175.370 174.978 0.392 1 1 303 . 10 1 1 A 35 35 HIS N N 35 119.408 118.738 0.670 1 1 304 . 10 1 1 A 35 35 HIS H H 35 7.149 7.663 -0.514 1 1 305 . 10 1 1 A 35 35 HIS CA C 35 56.612 56.931 -0.319 1 1 306 . 10 1 1 A 35 35 HIS HA H 35 4.591 4.474 0.117 1 1 307 . 10 1 1 A 35 35 HIS CB C 35 28.543 30.626 -2.083 1 1 313 . 10 1 1 A 35 35 HIS C C 35 175.587 175.440 0.147 1 1 315 . 10 1 1 A 36 36 SER N N 36 114.717 119.249 -4.532 1 1 316 . 10 1 1 A 36 36 SER H H 36 7.831 8.775 -0.944 1 1 317 . 10 1 1 A 36 36 SER CA C 36 58.643 56.996 1.647 1 1 318 . 10 1 1 A 36 36 SER HA H 36 4.412 4.771 -0.359 1 1 319 . 10 1 1 A 36 36 SER CB C 36 63.865 64.121 -0.256 1 1 320 . 10 1 1 A 36 36 SER C C 36 175.009 174.303 0.706 1 1 322 . 10 1 1 A 37 37 GLY N N 37 110.718 115.040 -4.322 1 1 323 . 10 1 1 A 37 37 GLY H H 37 8.233 8.491 -0.258 1 1 324 . 10 1 1 A 37 37 GLY CA C 37 45.254 44.553 0.701 1 1 325 . 10 1 1 A 37 37 GLY HA3 H 37 3.930 4.120 -0.190 1 1 326 . 10 1 1 A 37 37 GLY C C 37 174.063 172.684 1.379 1 1 327 . 10 1 1 A 37 37 GLY HA2 H 37 3.930 4.116 -0.186 1 1 328 . 10 1 1 A 38 38 GLU N N 38 120.467 120.542 -0.075 1 1 329 . 10 1 1 A 38 38 GLU H H 38 8.063 8.555 -0.492 1 1 330 . 10 1 1 A 38 38 GLU CA C 38 56.324 55.433 0.891 1 1 331 . 10 1 1 A 38 38 GLU HA H 38 4.202 4.914 -0.712 1 1 332 . 10 1 1 A 38 38 GLU CB C 38 30.407 31.296 -0.889 1 1 336 . 10 1 1 A 38 38 GLU C C 38 176.234 175.262 0.972 1 1 339 . 10 1 1 A 39 39 LYS N N 39 123.848 125.562 -1.714 1 1 340 . 10 1 1 A 39 39 LYS H H 39 8.379 8.632 -0.253 1 1 341 . 10 1 1 A 39 39 LYS CA C 39 54.044 53.027 1.017 1 1 342 . 10 1 1 A 39 39 LYS HA H 39 4.553 4.818 -0.265 1 1 343 . 10 1 1 A 39 39 LYS CB C 39 32.409 35.133 -2.724 1 1 351 . 10 1 1 A 39 39 LYS C C 39 174.964 173.838 1.126 1 1 356 . 10 1 1 A 40 40 PRO CA C 40 63.191 62.764 0.427 1 1 357 . 10 1 1 A 40 40 PRO HA H 40 4.410 4.746 -0.336 1 1 358 . 10 1 1 A 40 40 PRO CB C 40 32.091 33.612 -1.521 1 1 1 . 11 1 1 A 9 9 GLY CA C 9 45.245 45.551 -0.306 1 1 2 . 11 1 1 A 9 9 GLY HA3 H 9 3.924 3.994 -0.070 1 1 3 . 11 1 1 A 9 9 GLY C C 9 174.036 174.510 -0.474 1 1 4 . 11 1 1 A 9 9 GLY HA2 H 9 3.924 3.993 -0.069 1 1 5 . 11 1 1 A 10 10 GLU N N 10 120.696 121.919 -1.223 1 1 6 . 11 1 1 A 10 10 GLU H H 10 8.207 7.987 0.220 1 1 7 . 11 1 1 A 10 10 GLU CA C 10 56.534 56.606 -0.072 1 1 8 . 11 1 1 A 10 10 GLU HA H 10 4.133 4.254 -0.121 1 1 9 . 11 1 1 A 10 10 GLU CB C 10 30.333 30.750 -0.417 1 1 13 . 11 1 1 A 10 10 GLU C C 10 175.895 176.041 -0.146 1 1 16 . 11 1 1 A 11 11 LYS N N 11 122.388 126.165 -3.777 1 1 17 . 11 1 1 A 11 11 LYS H H 11 8.194 8.300 -0.106 1 1 18 . 11 1 1 A 11 11 LYS CA C 11 53.829 53.295 0.534 1 1 19 . 11 1 1 A 11 11 LYS HA H 11 4.210 4.808 -0.598 1 1 20 . 11 1 1 A 11 11 LYS CB C 11 31.954 33.320 -1.366 1 1 28 . 11 1 1 A 11 11 LYS C C 11 174.474 176.333 -1.859 1 1 33 . 11 1 1 A 12 12 PRO CA C 12 64.016 64.368 -0.352 1 1 34 . 11 1 1 A 12 12 PRO HA H 12 4.100 4.400 -0.300 1 1 35 . 11 1 1 A 12 12 PRO CB C 12 32.091 32.155 -0.064 1 1 41 . 11 1 1 A 12 12 PRO C C 12 176.288 176.271 0.017 1 1 45 . 11 1 1 A 13 13 PHE N N 13 117.244 117.053 0.191 1 1 46 . 11 1 1 A 13 13 PHE H H 13 7.539 7.720 -0.181 1 1 47 . 11 1 1 A 13 13 PHE CA C 13 57.505 56.579 0.926 1 1 48 . 11 1 1 A 13 13 PHE HA H 13 4.650 5.113 -0.463 1 1 49 . 11 1 1 A 13 13 PHE CB C 13 39.645 42.066 -2.421 1 1 61 . 11 1 1 A 13 13 PHE C C 13 174.436 174.852 -0.416 1 1 63 . 11 1 1 A 14 14 LYS N N 14 123.175 120.418 2.757 1 1 64 . 11 1 1 A 14 14 LYS H H 14 8.664 9.137 -0.473 1 1 65 . 11 1 1 A 14 14 LYS CA C 14 54.292 54.481 -0.189 1 1 66 . 11 1 1 A 14 14 LYS HA H 14 5.102 5.513 -0.411 1 1 67 . 11 1 1 A 14 14 LYS CB C 14 34.850 36.096 -1.246 1 1 75 . 11 1 1 A 14 14 LYS C C 14 176.027 175.045 0.982 1 1 80 . 11 1 1 A 15 15 CYS N N 15 126.518 121.068 5.450 1 1 81 . 11 1 1 A 15 15 CYS H H 15 9.121 9.319 -0.198 1 1 82 . 11 1 1 A 15 15 CYS CA C 15 59.421 59.942 -0.521 1 1 83 . 11 1 1 A 15 15 CYS HA H 15 4.379 4.717 -0.338 1 1 84 . 11 1 1 A 15 15 CYS CB C 15 30.467 28.762 1.705 1 1 86 . 11 1 1 A 15 15 CYS C C 15 177.905 176.710 1.195 1 1 88 . 11 1 1 A 16 16 GLU N N 16 131.837 123.756 8.081 1 1 89 . 11 1 1 A 16 16 GLU H H 16 9.146 8.827 0.319 1 1 90 . 11 1 1 A 16 16 GLU CA C 16 58.767 58.240 0.527 1 1 91 . 11 1 1 A 16 16 GLU HA H 16 4.015 4.281 -0.266 1 1 92 . 11 1 1 A 16 16 GLU CB C 16 30.034 30.448 -0.414 1 1 96 . 11 1 1 A 16 16 GLU C C 16 176.586 178.607 -2.021 1 1 99 . 11 1 1 A 17 17 GLU N N 17 120.271 119.338 0.933 1 1 100 . 11 1 1 A 17 17 GLU H H 17 8.759 7.819 0.940 1 1 101 . 11 1 1 A 17 17 GLU CA C 17 58.156 58.682 -0.526 1 1 102 . 11 1 1 A 17 17 GLU HA H 17 4.187 3.997 0.190 1 1 103 . 11 1 1 A 17 17 GLU CB C 17 29.903 29.362 0.541 1 1 107 . 11 1 1 A 17 17 GLU C C 17 177.311 178.200 -0.889 1 1 110 . 11 1 1 A 18 18 CYS N N 18 115.586 115.034 0.552 1 1 111 . 11 1 1 A 18 18 CYS H H 18 8.194 8.018 0.176 1 1 112 . 11 1 1 A 18 18 CYS CA C 18 58.370 59.756 -1.386 1 1 113 . 11 1 1 A 18 18 CYS HA H 18 5.102 4.623 0.479 1 1 114 . 11 1 1 A 18 18 CYS CB C 18 32.475 29.452 3.023 1 1 116 . 11 1 1 A 18 18 CYS C C 18 176.599 175.386 1.213 1 1 118 . 11 1 1 A 19 19 GLY N N 19 113.385 109.638 3.747 1 1 119 . 11 1 1 A 19 19 GLY H H 19 8.078 7.963 0.115 1 1 120 . 11 1 1 A 19 19 GLY CA C 19 46.212 44.938 1.274 1 1 121 . 11 1 1 A 19 19 GLY HA3 H 19 4.170 4.046 0.124 1 1 122 . 11 1 1 A 19 19 GLY C C 19 173.387 174.411 -1.024 1 1 123 . 11 1 1 A 19 19 GLY HA2 H 19 3.725 4.022 -0.297 1 1 124 . 11 1 1 A 20 20 LYS N N 20 123.491 122.384 1.107 1 1 125 . 11 1 1 A 20 20 LYS H H 20 8.031 7.515 0.516 1 1 126 . 11 1 1 A 20 20 LYS CA C 20 58.327 56.884 1.443 1 1 127 . 11 1 1 A 20 20 LYS HA H 20 3.865 3.938 -0.073 1 1 128 . 11 1 1 A 20 20 LYS CB C 20 33.833 33.106 0.727 1 1 136 . 11 1 1 A 20 20 LYS C C 20 174.752 175.637 -0.885 1 1 141 . 11 1 1 A 21 21 GLY N N 21 108.772 111.849 -3.077 1 1 142 . 11 1 1 A 21 21 GLY H H 21 7.874 8.189 -0.315 1 1 143 . 11 1 1 A 21 21 GLY CA C 21 44.209 44.477 -0.268 1 1 144 . 11 1 1 A 21 21 GLY HA3 H 21 4.844 3.792 1.052 1 1 145 . 11 1 1 A 21 21 GLY C C 21 172.496 172.510 -0.014 1 1 146 . 11 1 1 A 21 21 GLY HA2 H 21 3.160 3.777 -0.617 1 1 147 . 11 1 1 A 22 22 PHE N N 22 117.732 119.854 -2.122 1 1 148 . 11 1 1 A 22 22 PHE H H 22 8.744 8.348 0.396 1 1 149 . 11 1 1 A 22 22 PHE CA C 22 57.105 56.322 0.783 1 1 150 . 11 1 1 A 22 22 PHE HA H 22 4.459 4.840 -0.381 1 1 151 . 11 1 1 A 22 22 PHE CB C 22 44.303 44.073 0.230 1 1 163 . 11 1 1 A 22 22 PHE C C 22 175.019 174.594 0.425 1 1 165 . 11 1 1 A 23 23 TYR N N 23 117.772 119.906 -2.134 1 1 166 . 11 1 1 A 23 23 TYR H H 23 8.874 8.322 0.552 1 1 167 . 11 1 1 A 23 23 TYR CA C 23 61.344 58.823 2.521 1 1 168 . 11 1 1 A 23 23 TYR HA H 23 4.596 4.934 -0.338 1 1 169 . 11 1 1 A 23 23 TYR CB C 23 39.493 41.063 -1.570 1 1 179 . 11 1 1 A 23 23 TYR C C 23 176.259 175.745 0.514 1 1 181 . 11 1 1 A 24 24 THR N N 24 104.091 110.392 -6.301 1 1 182 . 11 1 1 A 24 24 THR H H 24 7.364 7.190 0.174 1 1 183 . 11 1 1 A 24 24 THR CA C 24 58.807 59.536 -0.729 1 1 184 . 11 1 1 A 24 24 THR HA H 24 4.697 4.447 0.250 1 1 185 . 11 1 1 A 24 24 THR CB C 24 72.491 71.636 0.855 1 1 191 . 11 1 1 A 24 24 THR C C 24 173.941 174.846 -0.905 1 1 192 . 11 1 1 A 25 25 ASN N N 25 121.743 122.946 -1.203 1 1 193 . 11 1 1 A 25 25 ASN H H 25 8.167 8.808 -0.641 1 1 194 . 11 1 1 A 25 25 ASN CA C 25 55.394 56.191 -0.797 1 1 195 . 11 1 1 A 25 25 ASN HA H 25 3.488 4.335 -0.847 1 1 196 . 11 1 1 A 25 25 ASN CB C 25 37.914 37.577 0.337 1 1 201 . 11 1 1 A 25 25 ASN C C 25 177.445 177.167 0.278 1 1 203 . 11 1 1 A 26 26 SER CA C 26 61.273 61.516 -0.243 1 1 204 . 11 1 1 A 26 26 SER HA H 26 4.001 3.984 0.017 1 1 205 . 11 1 1 A 26 26 SER CB C 26 62.053 62.949 -0.896 1 1 207 . 11 1 1 A 26 26 SER C C 26 177.544 177.249 0.295 1 1 209 . 11 1 1 A 27 27 GLN N N 27 121.070 120.783 0.287 1 1 210 . 11 1 1 A 27 27 GLN H H 27 7.488 7.801 -0.313 1 1 211 . 11 1 1 A 27 27 GLN CA C 27 58.360 58.643 -0.283 1 1 212 . 11 1 1 A 27 27 GLN HA H 27 3.904 3.920 -0.016 1 1 213 . 11 1 1 A 27 27 GLN CB C 27 28.821 28.550 0.271 1 1 220 . 11 1 1 A 27 27 GLN C C 27 178.094 177.829 0.265 1 1 223 . 11 1 1 A 28 28 CYS N N 28 120.697 118.732 1.965 1 1 224 . 11 1 1 A 28 28 CYS H H 28 7.220 7.544 -0.324 1 1 225 . 11 1 1 A 28 28 CYS CA C 28 61.758 62.312 -0.554 1 1 226 . 11 1 1 A 28 28 CYS HA H 28 2.831 1.992 0.839 1 1 227 . 11 1 1 A 28 28 CYS CB C 28 26.350 25.976 0.374 1 1 229 . 11 1 1 A 28 28 CYS C C 28 175.755 176.691 -0.936 1 1 231 . 11 1 1 A 29 29 TYR N N 29 119.853 121.780 -1.927 1 1 232 . 11 1 1 A 29 29 TYR H H 29 8.676 8.294 0.382 1 1 233 . 11 1 1 A 29 29 TYR CA C 29 61.209 61.629 -0.420 1 1 234 . 11 1 1 A 29 29 TYR HA H 29 4.190 4.057 0.133 1 1 235 . 11 1 1 A 29 29 TYR CB C 29 37.680 38.568 -0.888 1 1 245 . 11 1 1 A 29 29 TYR C C 29 178.450 177.227 1.223 1 1 247 . 11 1 1 A 30 30 SER N N 30 113.870 114.090 -0.220 1 1 248 . 11 1 1 A 30 30 SER H H 30 7.941 8.745 -0.804 1 1 249 . 11 1 1 A 30 30 SER CA C 30 61.619 61.336 0.283 1 1 250 . 11 1 1 A 30 30 SER HA H 30 3.929 4.164 -0.235 1 1 251 . 11 1 1 A 30 30 SER CB C 30 62.511 62.995 -0.484 1 1 253 . 11 1 1 A 30 30 SER C C 30 177.338 176.916 0.422 1 1 255 . 11 1 1 A 31 31 HIS N N 31 120.082 120.033 0.049 1 1 256 . 11 1 1 A 31 31 HIS H H 31 7.472 7.122 0.350 1 1 257 . 11 1 1 A 31 31 HIS CA C 31 59.031 59.540 -0.509 1 1 258 . 11 1 1 A 31 31 HIS HA H 31 4.166 4.250 -0.084 1 1 259 . 11 1 1 A 31 31 HIS CB C 31 27.883 29.958 -2.075 1 1 265 . 11 1 1 A 31 31 HIS C C 31 177.933 177.266 0.667 1 1 267 . 11 1 1 A 32 32 GLN N N 32 122.469 118.160 4.309 1 1 268 . 11 1 1 A 32 32 GLN H H 32 8.922 8.179 0.743 1 1 269 . 11 1 1 A 32 32 GLN CA C 32 59.712 59.365 0.347 1 1 270 . 11 1 1 A 32 32 GLN HA H 32 3.803 3.870 -0.067 1 1 271 . 11 1 1 A 32 32 GLN CB C 32 28.541 28.075 0.466 1 1 278 . 11 1 1 A 32 32 GLN C C 32 178.714 178.274 0.440 1 1 281 . 11 1 1 A 33 33 ARG N N 33 117.875 118.348 -0.473 1 1 282 . 11 1 1 A 33 33 ARG H H 33 7.460 7.979 -0.519 1 1 283 . 11 1 1 A 33 33 ARG CA C 33 58.084 58.517 -0.433 1 1 284 . 11 1 1 A 33 33 ARG HA H 33 3.987 3.980 0.007 1 1 285 . 11 1 1 A 33 33 ARG CB C 33 29.643 29.936 -0.293 1 1 291 . 11 1 1 A 33 33 ARG C C 33 177.881 178.378 -0.497 1 1 295 . 11 1 1 A 34 34 SER N N 34 114.760 115.553 -0.793 1 1 296 . 11 1 1 A 34 34 SER H H 34 7.661 7.969 -0.308 1 1 297 . 11 1 1 A 34 34 SER CA C 34 60.528 61.541 -1.013 1 1 298 . 11 1 1 A 34 34 SER HA H 34 4.157 4.053 0.104 1 1 299 . 11 1 1 A 34 34 SER CB C 34 63.155 62.815 0.340 1 1 301 . 11 1 1 A 34 34 SER C C 34 175.370 175.081 0.289 1 1 303 . 11 1 1 A 35 35 HIS N N 35 119.408 118.546 0.862 1 1 304 . 11 1 1 A 35 35 HIS H H 35 7.149 7.393 -0.244 1 1 305 . 11 1 1 A 35 35 HIS CA C 35 56.612 57.121 -0.509 1 1 306 . 11 1 1 A 35 35 HIS HA H 35 4.591 4.242 0.349 1 1 307 . 11 1 1 A 35 35 HIS CB C 35 28.543 29.697 -1.154 1 1 313 . 11 1 1 A 35 35 HIS C C 35 175.587 175.161 0.426 1 1 315 . 11 1 1 A 36 36 SER N N 36 114.717 119.190 -4.473 1 1 316 . 11 1 1 A 36 36 SER H H 36 7.831 8.496 -0.665 1 1 317 . 11 1 1 A 36 36 SER CA C 36 58.643 57.445 1.198 1 1 318 . 11 1 1 A 36 36 SER HA H 36 4.412 4.879 -0.467 1 1 319 . 11 1 1 A 36 36 SER CB C 36 63.865 67.834 -3.969 1 1 320 . 11 1 1 A 36 36 SER C C 36 175.009 174.259 0.750 1 1 322 . 11 1 1 A 37 37 GLY N N 37 110.718 110.406 0.312 1 1 323 . 11 1 1 A 37 37 GLY H H 37 8.233 8.346 -0.113 1 1 324 . 11 1 1 A 37 37 GLY CA C 37 45.254 45.349 -0.095 1 1 325 . 11 1 1 A 37 37 GLY HA3 H 37 3.930 3.980 -0.050 1 1 326 . 11 1 1 A 37 37 GLY C C 37 174.063 174.444 -0.381 1 1 327 . 11 1 1 A 37 37 GLY HA2 H 37 3.930 3.975 -0.045 1 1 328 . 11 1 1 A 38 38 GLU N N 38 120.467 119.554 0.913 1 1 329 . 11 1 1 A 38 38 GLU H H 38 8.063 7.931 0.132 1 1 330 . 11 1 1 A 38 38 GLU CA C 38 56.324 55.880 0.444 1 1 331 . 11 1 1 A 38 38 GLU HA H 38 4.202 4.514 -0.312 1 1 332 . 11 1 1 A 38 38 GLU CB C 38 30.407 30.891 -0.484 1 1 336 . 11 1 1 A 38 38 GLU C C 38 176.234 176.425 -0.191 1 1 339 . 11 1 1 A 39 39 LYS N N 39 123.848 122.913 0.935 1 1 340 . 11 1 1 A 39 39 LYS H H 39 8.379 8.606 -0.227 1 1 341 . 11 1 1 A 39 39 LYS CA C 39 54.044 54.917 -0.873 1 1 342 . 11 1 1 A 39 39 LYS HA H 39 4.553 4.309 0.244 1 1 343 . 11 1 1 A 39 39 LYS CB C 39 32.409 31.900 0.509 1 1 351 . 11 1 1 A 39 39 LYS C C 39 174.964 176.505 -1.541 1 1 356 . 11 1 1 A 40 40 PRO CA C 40 63.191 64.236 -1.045 1 1 357 . 11 1 1 A 40 40 PRO HA H 40 4.410 4.494 -0.084 1 1 358 . 11 1 1 A 40 40 PRO CB C 40 32.091 31.715 0.376 1 1 1 . 12 1 1 A 9 9 GLY CA C 9 45.245 45.532 -0.287 1 1 2 . 12 1 1 A 9 9 GLY HA3 H 9 3.924 3.971 -0.047 1 1 3 . 12 1 1 A 9 9 GLY C C 9 174.036 174.244 -0.208 1 1 4 . 12 1 1 A 9 9 GLY HA2 H 9 3.924 3.964 -0.040 1 1 5 . 12 1 1 A 10 10 GLU N N 10 120.696 120.765 -0.069 1 1 6 . 12 1 1 A 10 10 GLU H H 10 8.207 7.840 0.367 1 1 7 . 12 1 1 A 10 10 GLU CA C 10 56.534 55.203 1.331 1 1 8 . 12 1 1 A 10 10 GLU HA H 10 4.133 4.715 -0.582 1 1 9 . 12 1 1 A 10 10 GLU CB C 10 30.333 31.959 -1.626 1 1 13 . 12 1 1 A 10 10 GLU C C 10 175.895 175.316 0.579 1 1 16 . 12 1 1 A 11 11 LYS N N 11 122.388 125.797 -3.409 1 1 17 . 12 1 1 A 11 11 LYS H H 11 8.194 8.392 -0.198 1 1 18 . 12 1 1 A 11 11 LYS CA C 11 53.829 53.303 0.526 1 1 19 . 12 1 1 A 11 11 LYS HA H 11 4.210 4.825 -0.615 1 1 20 . 12 1 1 A 11 11 LYS CB C 11 31.954 34.692 -2.738 1 1 28 . 12 1 1 A 11 11 LYS C C 11 174.474 176.236 -1.762 1 1 33 . 12 1 1 A 12 12 PRO CA C 12 64.016 64.416 -0.400 1 1 34 . 12 1 1 A 12 12 PRO HA H 12 4.100 4.360 -0.260 1 1 35 . 12 1 1 A 12 12 PRO CB C 12 32.091 32.198 -0.107 1 1 41 . 12 1 1 A 12 12 PRO C C 12 176.288 176.230 0.058 1 1 45 . 12 1 1 A 13 13 PHE N N 13 117.244 117.037 0.207 1 1 46 . 12 1 1 A 13 13 PHE H H 13 7.539 7.706 -0.167 1 1 47 . 12 1 1 A 13 13 PHE CA C 13 57.505 56.573 0.932 1 1 48 . 12 1 1 A 13 13 PHE HA H 13 4.650 5.113 -0.463 1 1 49 . 12 1 1 A 13 13 PHE CB C 13 39.645 42.220 -2.575 1 1 61 . 12 1 1 A 13 13 PHE C C 13 174.436 174.971 -0.535 1 1 63 . 12 1 1 A 14 14 LYS N N 14 123.175 120.406 2.769 1 1 64 . 12 1 1 A 14 14 LYS H H 14 8.664 9.154 -0.490 1 1 65 . 12 1 1 A 14 14 LYS CA C 14 54.292 54.424 -0.132 1 1 66 . 12 1 1 A 14 14 LYS HA H 14 5.102 5.239 -0.137 1 1 67 . 12 1 1 A 14 14 LYS CB C 14 34.850 36.100 -1.250 1 1 75 . 12 1 1 A 14 14 LYS C C 14 176.027 175.072 0.955 1 1 80 . 12 1 1 A 15 15 CYS N N 15 126.518 121.077 5.441 1 1 81 . 12 1 1 A 15 15 CYS H H 15 9.121 8.714 0.407 1 1 82 . 12 1 1 A 15 15 CYS CA C 15 59.421 59.651 -0.230 1 1 83 . 12 1 1 A 15 15 CYS HA H 15 4.379 4.764 -0.385 1 1 84 . 12 1 1 A 15 15 CYS CB C 15 30.467 28.483 1.984 1 1 86 . 12 1 1 A 15 15 CYS C C 15 177.905 176.625 1.280 1 1 88 . 12 1 1 A 16 16 GLU N N 16 131.837 123.769 8.068 1 1 89 . 12 1 1 A 16 16 GLU H H 16 9.146 8.892 0.254 1 1 90 . 12 1 1 A 16 16 GLU CA C 16 58.767 58.133 0.634 1 1 91 . 12 1 1 A 16 16 GLU HA H 16 4.015 4.212 -0.197 1 1 92 . 12 1 1 A 16 16 GLU CB C 16 30.034 30.248 -0.214 1 1 96 . 12 1 1 A 16 16 GLU C C 16 176.586 178.510 -1.924 1 1 99 . 12 1 1 A 17 17 GLU N N 17 120.271 119.042 1.229 1 1 100 . 12 1 1 A 17 17 GLU H H 17 8.759 7.628 1.131 1 1 101 . 12 1 1 A 17 17 GLU CA C 17 58.156 58.624 -0.468 1 1 102 . 12 1 1 A 17 17 GLU HA H 17 4.187 3.991 0.196 1 1 103 . 12 1 1 A 17 17 GLU CB C 17 29.903 29.229 0.674 1 1 107 . 12 1 1 A 17 17 GLU C C 17 177.311 178.193 -0.882 1 1 110 . 12 1 1 A 18 18 CYS N N 18 115.586 114.757 0.829 1 1 111 . 12 1 1 A 18 18 CYS H H 18 8.194 7.877 0.317 1 1 112 . 12 1 1 A 18 18 CYS CA C 18 58.370 59.796 -1.426 1 1 113 . 12 1 1 A 18 18 CYS HA H 18 5.102 4.566 0.536 1 1 114 . 12 1 1 A 18 18 CYS CB C 18 32.475 29.137 3.338 1 1 116 . 12 1 1 A 18 18 CYS C C 18 176.599 175.227 1.372 1 1 118 . 12 1 1 A 19 19 GLY N N 19 113.385 109.892 3.493 1 1 119 . 12 1 1 A 19 19 GLY H H 19 8.078 7.962 0.116 1 1 120 . 12 1 1 A 19 19 GLY CA C 19 46.212 44.889 1.323 1 1 121 . 12 1 1 A 19 19 GLY HA3 H 19 4.170 4.060 0.110 1 1 122 . 12 1 1 A 19 19 GLY C C 19 173.387 174.404 -1.017 1 1 123 . 12 1 1 A 19 19 GLY HA2 H 19 3.725 4.044 -0.319 1 1 124 . 12 1 1 A 20 20 LYS N N 20 123.491 122.260 1.231 1 1 125 . 12 1 1 A 20 20 LYS H H 20 8.031 7.368 0.663 1 1 126 . 12 1 1 A 20 20 LYS CA C 20 58.327 56.567 1.760 1 1 127 . 12 1 1 A 20 20 LYS HA H 20 3.865 3.919 -0.054 1 1 128 . 12 1 1 A 20 20 LYS CB C 20 33.833 32.810 1.023 1 1 136 . 12 1 1 A 20 20 LYS C C 20 174.752 175.567 -0.815 1 1 141 . 12 1 1 A 21 21 GLY N N 21 108.772 110.919 -2.147 1 1 142 . 12 1 1 A 21 21 GLY H H 21 7.874 7.957 -0.083 1 1 143 . 12 1 1 A 21 21 GLY CA C 21 44.209 43.600 0.609 1 1 144 . 12 1 1 A 21 21 GLY HA3 H 21 4.844 3.893 0.951 1 1 145 . 12 1 1 A 21 21 GLY C C 21 172.496 172.031 0.465 1 1 146 . 12 1 1 A 21 21 GLY HA2 H 21 3.160 3.876 -0.716 1 1 147 . 12 1 1 A 22 22 PHE N N 22 117.732 120.874 -3.142 1 1 148 . 12 1 1 A 22 22 PHE H H 22 8.744 8.318 0.426 1 1 149 . 12 1 1 A 22 22 PHE CA C 22 57.105 56.457 0.648 1 1 150 . 12 1 1 A 22 22 PHE HA H 22 4.459 4.808 -0.349 1 1 151 . 12 1 1 A 22 22 PHE CB C 22 44.303 43.908 0.395 1 1 163 . 12 1 1 A 22 22 PHE C C 22 175.019 174.749 0.270 1 1 165 . 12 1 1 A 23 23 TYR N N 23 117.772 120.223 -2.451 1 1 166 . 12 1 1 A 23 23 TYR H H 23 8.874 8.677 0.197 1 1 167 . 12 1 1 A 23 23 TYR CA C 23 61.344 58.934 2.410 1 1 168 . 12 1 1 A 23 23 TYR HA H 23 4.596 4.885 -0.289 1 1 169 . 12 1 1 A 23 23 TYR CB C 23 39.493 40.813 -1.320 1 1 179 . 12 1 1 A 23 23 TYR C C 23 176.259 175.563 0.696 1 1 181 . 12 1 1 A 24 24 THR N N 24 104.091 110.684 -6.593 1 1 182 . 12 1 1 A 24 24 THR H H 24 7.364 7.668 -0.304 1 1 183 . 12 1 1 A 24 24 THR CA C 24 58.807 59.249 -0.442 1 1 184 . 12 1 1 A 24 24 THR HA H 24 4.697 4.331 0.366 1 1 185 . 12 1 1 A 24 24 THR CB C 24 72.491 71.483 1.008 1 1 191 . 12 1 1 A 24 24 THR C C 24 173.941 174.701 -0.760 1 1 192 . 12 1 1 A 25 25 ASN N N 25 121.743 121.670 0.073 1 1 193 . 12 1 1 A 25 25 ASN H H 25 8.167 8.497 -0.330 1 1 194 . 12 1 1 A 25 25 ASN CA C 25 55.394 56.839 -1.445 1 1 195 . 12 1 1 A 25 25 ASN HA H 25 3.488 4.186 -0.698 1 1 196 . 12 1 1 A 25 25 ASN CB C 25 37.914 38.694 -0.780 1 1 201 . 12 1 1 A 25 25 ASN C C 25 177.445 177.005 0.440 1 1 203 . 12 1 1 A 26 26 SER CA C 26 61.273 61.459 -0.186 1 1 204 . 12 1 1 A 26 26 SER HA H 26 4.001 4.028 -0.027 1 1 205 . 12 1 1 A 26 26 SER CB C 26 62.053 63.081 -1.028 1 1 207 . 12 1 1 A 26 26 SER C C 26 177.544 177.105 0.439 1 1 209 . 12 1 1 A 27 27 GLN N N 27 121.070 120.515 0.555 1 1 210 . 12 1 1 A 27 27 GLN H H 27 7.488 7.542 -0.054 1 1 211 . 12 1 1 A 27 27 GLN CA C 27 58.360 58.723 -0.363 1 1 212 . 12 1 1 A 27 27 GLN HA H 27 3.904 3.896 0.008 1 1 213 . 12 1 1 A 27 27 GLN CB C 27 28.821 28.309 0.512 1 1 220 . 12 1 1 A 27 27 GLN C C 27 178.094 177.893 0.201 1 1 223 . 12 1 1 A 28 28 CYS N N 28 120.697 118.409 2.288 1 1 224 . 12 1 1 A 28 28 CYS H H 28 7.220 7.622 -0.402 1 1 225 . 12 1 1 A 28 28 CYS CA C 28 61.758 62.622 -0.864 1 1 226 . 12 1 1 A 28 28 CYS HA H 28 2.831 2.794 0.037 1 1 227 . 12 1 1 A 28 28 CYS CB C 28 26.350 26.344 0.006 1 1 229 . 12 1 1 A 28 28 CYS C C 28 175.755 176.647 -0.892 1 1 231 . 12 1 1 A 29 29 TYR N N 29 119.853 121.971 -2.118 1 1 232 . 12 1 1 A 29 29 TYR H H 29 8.676 8.225 0.451 1 1 233 . 12 1 1 A 29 29 TYR CA C 29 61.209 61.731 -0.522 1 1 234 . 12 1 1 A 29 29 TYR HA H 29 4.190 4.312 -0.122 1 1 235 . 12 1 1 A 29 29 TYR CB C 29 37.680 38.502 -0.822 1 1 245 . 12 1 1 A 29 29 TYR C C 29 178.450 177.292 1.158 1 1 247 . 12 1 1 A 30 30 SER N N 30 113.870 114.111 -0.241 1 1 248 . 12 1 1 A 30 30 SER H H 30 7.941 8.391 -0.450 1 1 249 . 12 1 1 A 30 30 SER CA C 30 61.619 61.808 -0.189 1 1 250 . 12 1 1 A 30 30 SER HA H 30 3.929 3.968 -0.039 1 1 251 . 12 1 1 A 30 30 SER CB C 30 62.511 63.042 -0.531 1 1 253 . 12 1 1 A 30 30 SER C C 30 177.338 177.105 0.233 1 1 255 . 12 1 1 A 31 31 HIS N N 31 120.082 120.420 -0.338 1 1 256 . 12 1 1 A 31 31 HIS H H 31 7.472 7.235 0.237 1 1 257 . 12 1 1 A 31 31 HIS CA C 31 59.031 59.236 -0.205 1 1 258 . 12 1 1 A 31 31 HIS HA H 31 4.166 4.218 -0.052 1 1 259 . 12 1 1 A 31 31 HIS CB C 31 27.883 29.905 -2.022 1 1 265 . 12 1 1 A 31 31 HIS C C 31 177.933 177.327 0.606 1 1 267 . 12 1 1 A 32 32 GLN N N 32 122.469 117.544 4.925 1 1 268 . 12 1 1 A 32 32 GLN H H 32 8.922 8.450 0.472 1 1 269 . 12 1 1 A 32 32 GLN CA C 32 59.712 59.454 0.258 1 1 270 . 12 1 1 A 32 32 GLN HA H 32 3.803 3.986 -0.183 1 1 271 . 12 1 1 A 32 32 GLN CB C 32 28.541 28.322 0.219 1 1 278 . 12 1 1 A 32 32 GLN C C 32 178.714 178.520 0.194 1 1 281 . 12 1 1 A 33 33 ARG N N 33 117.875 120.111 -2.236 1 1 282 . 12 1 1 A 33 33 ARG H H 33 7.460 7.816 -0.356 1 1 283 . 12 1 1 A 33 33 ARG CA C 33 58.084 59.254 -1.170 1 1 284 . 12 1 1 A 33 33 ARG HA H 33 3.987 3.846 0.141 1 1 285 . 12 1 1 A 33 33 ARG CB C 33 29.643 29.735 -0.092 1 1 291 . 12 1 1 A 33 33 ARG C C 33 177.881 178.343 -0.462 1 1 295 . 12 1 1 A 34 34 SER N N 34 114.760 115.252 -0.492 1 1 296 . 12 1 1 A 34 34 SER H H 34 7.661 8.030 -0.369 1 1 297 . 12 1 1 A 34 34 SER CA C 34 60.528 61.733 -1.205 1 1 298 . 12 1 1 A 34 34 SER HA H 34 4.157 3.966 0.191 1 1 299 . 12 1 1 A 34 34 SER CB C 34 63.155 62.777 0.378 1 1 301 . 12 1 1 A 34 34 SER C C 34 175.370 175.573 -0.203 1 1 303 . 12 1 1 A 35 35 HIS N N 35 119.408 117.216 2.192 1 1 304 . 12 1 1 A 35 35 HIS H H 35 7.149 7.280 -0.131 1 1 305 . 12 1 1 A 35 35 HIS CA C 35 56.612 55.486 1.126 1 1 306 . 12 1 1 A 35 35 HIS HA H 35 4.591 4.479 0.112 1 1 307 . 12 1 1 A 35 35 HIS CB C 35 28.543 28.320 0.223 1 1 313 . 12 1 1 A 35 35 HIS C C 35 175.587 174.770 0.817 1 1 315 . 12 1 1 A 36 36 SER N N 36 114.717 120.652 -5.935 1 1 316 . 12 1 1 A 36 36 SER H H 36 7.831 8.708 -0.877 1 1 317 . 12 1 1 A 36 36 SER CA C 36 58.643 60.007 -1.364 1 1 318 . 12 1 1 A 36 36 SER HA H 36 4.412 4.531 -0.119 1 1 319 . 12 1 1 A 36 36 SER CB C 36 63.865 65.001 -1.136 1 1 320 . 12 1 1 A 36 36 SER C C 36 175.009 174.250 0.759 1 1 322 . 12 1 1 A 37 37 GLY N N 37 110.718 107.882 2.836 1 1 323 . 12 1 1 A 37 37 GLY H H 37 8.233 7.852 0.381 1 1 324 . 12 1 1 A 37 37 GLY CA C 37 45.254 44.713 0.541 1 1 325 . 12 1 1 A 37 37 GLY HA3 H 37 3.930 3.983 -0.053 1 1 326 . 12 1 1 A 37 37 GLY C C 37 174.063 172.568 1.495 1 1 327 . 12 1 1 A 37 37 GLY HA2 H 37 3.930 3.978 -0.048 1 1 328 . 12 1 1 A 38 38 GLU N N 38 120.467 122.899 -2.432 1 1 329 . 12 1 1 A 38 38 GLU H H 38 8.063 8.718 -0.655 1 1 330 . 12 1 1 A 38 38 GLU CA C 38 56.324 56.549 -0.225 1 1 331 . 12 1 1 A 38 38 GLU HA H 38 4.202 4.459 -0.257 1 1 332 . 12 1 1 A 38 38 GLU CB C 38 30.407 30.569 -0.162 1 1 336 . 12 1 1 A 38 38 GLU C C 38 176.234 175.936 0.298 1 1 339 . 12 1 1 A 39 39 LYS N N 39 123.848 124.364 -0.516 1 1 340 . 12 1 1 A 39 39 LYS H H 39 8.379 9.081 -0.702 1 1 341 . 12 1 1 A 39 39 LYS CA C 39 54.044 53.319 0.725 1 1 342 . 12 1 1 A 39 39 LYS HA H 39 4.553 5.015 -0.462 1 1 343 . 12 1 1 A 39 39 LYS CB C 39 32.409 35.507 -3.098 1 1 351 . 12 1 1 A 39 39 LYS C C 39 174.964 174.360 0.604 1 1 356 . 12 1 1 A 40 40 PRO CA C 40 63.191 62.834 0.357 1 1 357 . 12 1 1 A 40 40 PRO HA H 40 4.410 4.645 -0.235 1 1 358 . 12 1 1 A 40 40 PRO CB C 40 32.091 32.550 -0.459 1 1 1 . 13 1 1 A 9 9 GLY CA C 9 45.245 45.928 -0.683 1 1 2 . 13 1 1 A 9 9 GLY HA3 H 9 3.924 3.964 -0.040 1 1 3 . 13 1 1 A 9 9 GLY C C 9 174.036 173.614 0.422 1 1 4 . 13 1 1 A 9 9 GLY HA2 H 9 3.924 3.960 -0.036 1 1 5 . 13 1 1 A 10 10 GLU N N 10 120.696 126.527 -5.831 1 1 6 . 13 1 1 A 10 10 GLU H H 10 8.207 8.822 -0.615 1 1 7 . 13 1 1 A 10 10 GLU CA C 10 56.534 56.195 0.339 1 1 8 . 13 1 1 A 10 10 GLU HA H 10 4.133 4.466 -0.333 1 1 9 . 13 1 1 A 10 10 GLU CB C 10 30.333 30.817 -0.484 1 1 13 . 13 1 1 A 10 10 GLU C C 10 175.895 176.070 -0.175 1 1 16 . 13 1 1 A 11 11 LYS N N 11 122.388 123.684 -1.296 1 1 17 . 13 1 1 A 11 11 LYS H H 11 8.194 8.379 -0.185 1 1 18 . 13 1 1 A 11 11 LYS CA C 11 53.829 53.266 0.563 1 1 19 . 13 1 1 A 11 11 LYS HA H 11 4.210 4.826 -0.616 1 1 20 . 13 1 1 A 11 11 LYS CB C 11 31.954 35.231 -3.277 1 1 28 . 13 1 1 A 11 11 LYS C C 11 174.474 176.276 -1.802 1 1 33 . 13 1 1 A 12 12 PRO CA C 12 64.016 64.357 -0.341 1 1 34 . 13 1 1 A 12 12 PRO HA H 12 4.100 4.346 -0.246 1 1 35 . 13 1 1 A 12 12 PRO CB C 12 32.091 32.160 -0.069 1 1 41 . 13 1 1 A 12 12 PRO C C 12 176.288 176.185 0.103 1 1 45 . 13 1 1 A 13 13 PHE N N 13 117.244 116.966 0.278 1 1 46 . 13 1 1 A 13 13 PHE H H 13 7.539 7.721 -0.182 1 1 47 . 13 1 1 A 13 13 PHE CA C 13 57.505 56.584 0.921 1 1 48 . 13 1 1 A 13 13 PHE HA H 13 4.650 5.113 -0.463 1 1 49 . 13 1 1 A 13 13 PHE CB C 13 39.645 42.125 -2.480 1 1 61 . 13 1 1 A 13 13 PHE C C 13 174.436 174.929 -0.493 1 1 63 . 13 1 1 A 14 14 LYS N N 14 123.175 120.359 2.816 1 1 64 . 13 1 1 A 14 14 LYS H H 14 8.664 9.151 -0.487 1 1 65 . 13 1 1 A 14 14 LYS CA C 14 54.292 54.538 -0.246 1 1 66 . 13 1 1 A 14 14 LYS HA H 14 5.102 5.416 -0.314 1 1 67 . 13 1 1 A 14 14 LYS CB C 14 34.850 36.133 -1.283 1 1 75 . 13 1 1 A 14 14 LYS C C 14 176.027 175.095 0.932 1 1 80 . 13 1 1 A 15 15 CYS N N 15 126.518 121.292 5.226 1 1 81 . 13 1 1 A 15 15 CYS H H 15 9.121 8.921 0.200 1 1 82 . 13 1 1 A 15 15 CYS CA C 15 59.421 59.880 -0.459 1 1 83 . 13 1 1 A 15 15 CYS HA H 15 4.379 4.729 -0.350 1 1 84 . 13 1 1 A 15 15 CYS CB C 15 30.467 28.642 1.825 1 1 86 . 13 1 1 A 15 15 CYS C C 15 177.905 176.657 1.248 1 1 88 . 13 1 1 A 16 16 GLU N N 16 131.837 123.760 8.077 1 1 89 . 13 1 1 A 16 16 GLU H H 16 9.146 8.843 0.303 1 1 90 . 13 1 1 A 16 16 GLU CA C 16 58.767 58.105 0.662 1 1 91 . 13 1 1 A 16 16 GLU HA H 16 4.015 4.212 -0.197 1 1 92 . 13 1 1 A 16 16 GLU CB C 16 30.034 30.325 -0.291 1 1 96 . 13 1 1 A 16 16 GLU C C 16 176.586 178.576 -1.990 1 1 99 . 13 1 1 A 17 17 GLU N N 17 120.271 119.263 1.008 1 1 100 . 13 1 1 A 17 17 GLU H H 17 8.759 7.607 1.152 1 1 101 . 13 1 1 A 17 17 GLU CA C 17 58.156 58.629 -0.473 1 1 102 . 13 1 1 A 17 17 GLU HA H 17 4.187 3.941 0.246 1 1 103 . 13 1 1 A 17 17 GLU CB C 17 29.903 29.108 0.795 1 1 107 . 13 1 1 A 17 17 GLU C C 17 177.311 178.138 -0.827 1 1 110 . 13 1 1 A 18 18 CYS N N 18 115.586 114.969 0.617 1 1 111 . 13 1 1 A 18 18 CYS H H 18 8.194 7.857 0.337 1 1 112 . 13 1 1 A 18 18 CYS CA C 18 58.370 59.739 -1.369 1 1 113 . 13 1 1 A 18 18 CYS HA H 18 5.102 4.595 0.507 1 1 114 . 13 1 1 A 18 18 CYS CB C 18 32.475 29.308 3.167 1 1 116 . 13 1 1 A 18 18 CYS C C 18 176.599 175.257 1.342 1 1 118 . 13 1 1 A 19 19 GLY N N 19 113.385 109.929 3.456 1 1 119 . 13 1 1 A 19 19 GLY H H 19 8.078 7.990 0.088 1 1 120 . 13 1 1 A 19 19 GLY CA C 19 46.212 44.979 1.233 1 1 121 . 13 1 1 A 19 19 GLY HA3 H 19 4.170 4.085 0.085 1 1 122 . 13 1 1 A 19 19 GLY C C 19 173.387 174.417 -1.030 1 1 123 . 13 1 1 A 19 19 GLY HA2 H 19 3.725 4.062 -0.337 1 1 124 . 13 1 1 A 20 20 LYS N N 20 123.491 122.507 0.984 1 1 125 . 13 1 1 A 20 20 LYS H H 20 8.031 7.416 0.615 1 1 126 . 13 1 1 A 20 20 LYS CA C 20 58.327 56.477 1.850 1 1 127 . 13 1 1 A 20 20 LYS HA H 20 3.865 4.002 -0.137 1 1 128 . 13 1 1 A 20 20 LYS CB C 20 33.833 32.853 0.980 1 1 136 . 13 1 1 A 20 20 LYS C C 20 174.752 175.457 -0.705 1 1 141 . 13 1 1 A 21 21 GLY N N 21 108.772 111.112 -2.340 1 1 142 . 13 1 1 A 21 21 GLY H H 21 7.874 8.078 -0.204 1 1 143 . 13 1 1 A 21 21 GLY CA C 21 44.209 43.875 0.334 1 1 144 . 13 1 1 A 21 21 GLY HA3 H 21 4.844 3.957 0.887 1 1 145 . 13 1 1 A 21 21 GLY C C 21 172.496 172.232 0.264 1 1 146 . 13 1 1 A 21 21 GLY HA2 H 21 3.160 3.920 -0.760 1 1 147 . 13 1 1 A 22 22 PHE N N 22 117.732 120.829 -3.097 1 1 148 . 13 1 1 A 22 22 PHE H H 22 8.744 8.284 0.460 1 1 149 . 13 1 1 A 22 22 PHE CA C 22 57.105 56.312 0.793 1 1 150 . 13 1 1 A 22 22 PHE HA H 22 4.459 4.820 -0.361 1 1 151 . 13 1 1 A 22 22 PHE CB C 22 44.303 44.147 0.156 1 1 163 . 13 1 1 A 22 22 PHE C C 22 175.019 174.642 0.377 1 1 165 . 13 1 1 A 23 23 TYR N N 23 117.772 119.609 -1.837 1 1 166 . 13 1 1 A 23 23 TYR H H 23 8.874 8.765 0.109 1 1 167 . 13 1 1 A 23 23 TYR CA C 23 61.344 58.856 2.488 1 1 168 . 13 1 1 A 23 23 TYR HA H 23 4.596 4.973 -0.377 1 1 169 . 13 1 1 A 23 23 TYR CB C 23 39.493 41.102 -1.609 1 1 179 . 13 1 1 A 23 23 TYR C C 23 176.259 175.748 0.511 1 1 181 . 13 1 1 A 24 24 THR N N 24 104.091 110.264 -6.173 1 1 182 . 13 1 1 A 24 24 THR H H 24 7.364 7.539 -0.175 1 1 183 . 13 1 1 A 24 24 THR CA C 24 58.807 59.526 -0.719 1 1 184 . 13 1 1 A 24 24 THR HA H 24 4.697 4.424 0.273 1 1 185 . 13 1 1 A 24 24 THR CB C 24 72.491 71.633 0.858 1 1 191 . 13 1 1 A 24 24 THR C C 24 173.941 174.806 -0.865 1 1 192 . 13 1 1 A 25 25 ASN N N 25 121.743 122.924 -1.181 1 1 193 . 13 1 1 A 25 25 ASN H H 25 8.167 8.784 -0.617 1 1 194 . 13 1 1 A 25 25 ASN CA C 25 55.394 56.035 -0.641 1 1 195 . 13 1 1 A 25 25 ASN HA H 25 3.488 4.270 -0.782 1 1 196 . 13 1 1 A 25 25 ASN CB C 25 37.914 37.574 0.340 1 1 201 . 13 1 1 A 25 25 ASN C C 25 177.445 177.113 0.332 1 1 203 . 13 1 1 A 26 26 SER CA C 26 61.273 61.395 -0.122 1 1 204 . 13 1 1 A 26 26 SER HA H 26 4.001 4.138 -0.137 1 1 205 . 13 1 1 A 26 26 SER CB C 26 62.053 62.254 -0.201 1 1 207 . 13 1 1 A 26 26 SER C C 26 177.544 176.899 0.645 1 1 209 . 13 1 1 A 27 27 GLN N N 27 121.070 119.942 1.128 1 1 210 . 13 1 1 A 27 27 GLN H H 27 7.488 7.760 -0.272 1 1 211 . 13 1 1 A 27 27 GLN CA C 27 58.360 58.833 -0.473 1 1 212 . 13 1 1 A 27 27 GLN HA H 27 3.904 3.944 -0.040 1 1 213 . 13 1 1 A 27 27 GLN CB C 27 28.821 28.541 0.280 1 1 220 . 13 1 1 A 27 27 GLN C C 27 178.094 177.792 0.302 1 1 223 . 13 1 1 A 28 28 CYS N N 28 120.697 118.572 2.125 1 1 224 . 13 1 1 A 28 28 CYS H H 28 7.220 7.561 -0.341 1 1 225 . 13 1 1 A 28 28 CYS CA C 28 61.758 62.248 -0.490 1 1 226 . 13 1 1 A 28 28 CYS HA H 28 2.831 1.796 1.035 1 1 227 . 13 1 1 A 28 28 CYS CB C 28 26.350 26.006 0.344 1 1 229 . 13 1 1 A 28 28 CYS C C 28 175.755 176.431 -0.676 1 1 231 . 13 1 1 A 29 29 TYR N N 29 119.853 121.887 -2.034 1 1 232 . 13 1 1 A 29 29 TYR H H 29 8.676 8.228 0.448 1 1 233 . 13 1 1 A 29 29 TYR CA C 29 61.209 61.812 -0.603 1 1 234 . 13 1 1 A 29 29 TYR HA H 29 4.190 4.001 0.189 1 1 235 . 13 1 1 A 29 29 TYR CB C 29 37.680 38.573 -0.893 1 1 245 . 13 1 1 A 29 29 TYR C C 29 178.450 177.106 1.344 1 1 247 . 13 1 1 A 30 30 SER N N 30 113.870 115.178 -1.308 1 1 248 . 13 1 1 A 30 30 SER H H 30 7.941 8.589 -0.648 1 1 249 . 13 1 1 A 30 30 SER CA C 30 61.619 62.220 -0.601 1 1 250 . 13 1 1 A 30 30 SER HA H 30 3.929 4.239 -0.310 1 1 251 . 13 1 1 A 30 30 SER CB C 30 62.511 63.022 -0.511 1 1 253 . 13 1 1 A 30 30 SER C C 30 177.338 176.127 1.211 1 1 255 . 13 1 1 A 31 31 HIS N N 31 120.082 121.053 -0.971 1 1 256 . 13 1 1 A 31 31 HIS H H 31 7.472 7.221 0.251 1 1 257 . 13 1 1 A 31 31 HIS CA C 31 59.031 59.159 -0.128 1 1 258 . 13 1 1 A 31 31 HIS HA H 31 4.166 4.197 -0.031 1 1 259 . 13 1 1 A 31 31 HIS CB C 31 27.883 30.202 -2.319 1 1 265 . 13 1 1 A 31 31 HIS C C 31 177.933 176.872 1.061 1 1 267 . 13 1 1 A 32 32 GLN N N 32 122.469 118.681 3.788 1 1 268 . 13 1 1 A 32 32 GLN H H 32 8.922 8.110 0.812 1 1 269 . 13 1 1 A 32 32 GLN CA C 32 59.712 59.325 0.387 1 1 270 . 13 1 1 A 32 32 GLN HA H 32 3.803 3.855 -0.052 1 1 271 . 13 1 1 A 32 32 GLN CB C 32 28.541 27.957 0.584 1 1 278 . 13 1 1 A 32 32 GLN C C 32 178.714 177.933 0.781 1 1 281 . 13 1 1 A 33 33 ARG N N 33 117.875 118.188 -0.313 1 1 282 . 13 1 1 A 33 33 ARG H H 33 7.460 7.791 -0.331 1 1 283 . 13 1 1 A 33 33 ARG CA C 33 58.084 58.655 -0.571 1 1 284 . 13 1 1 A 33 33 ARG HA H 33 3.987 3.864 0.123 1 1 285 . 13 1 1 A 33 33 ARG CB C 33 29.643 29.777 -0.134 1 1 291 . 13 1 1 A 33 33 ARG C C 33 177.881 178.180 -0.299 1 1 295 . 13 1 1 A 34 34 SER N N 34 114.760 115.423 -0.663 1 1 296 . 13 1 1 A 34 34 SER H H 34 7.661 7.732 -0.071 1 1 297 . 13 1 1 A 34 34 SER CA C 34 60.528 61.282 -0.754 1 1 298 . 13 1 1 A 34 34 SER HA H 34 4.157 4.015 0.142 1 1 299 . 13 1 1 A 34 34 SER CB C 34 63.155 62.779 0.376 1 1 301 . 13 1 1 A 34 34 SER C C 34 175.370 174.858 0.512 1 1 303 . 13 1 1 A 35 35 HIS N N 35 119.408 118.746 0.662 1 1 304 . 13 1 1 A 35 35 HIS H H 35 7.149 7.492 -0.343 1 1 305 . 13 1 1 A 35 35 HIS CA C 35 56.612 56.994 -0.382 1 1 306 . 13 1 1 A 35 35 HIS HA H 35 4.591 4.365 0.226 1 1 307 . 13 1 1 A 35 35 HIS CB C 35 28.543 30.658 -2.115 1 1 313 . 13 1 1 A 35 35 HIS C C 35 175.587 175.052 0.535 1 1 315 . 13 1 1 A 36 36 SER N N 36 114.717 116.947 -2.230 1 1 316 . 13 1 1 A 36 36 SER H H 36 7.831 8.790 -0.959 1 1 317 . 13 1 1 A 36 36 SER CA C 36 58.643 57.902 0.741 1 1 318 . 13 1 1 A 36 36 SER HA H 36 4.412 5.078 -0.666 1 1 319 . 13 1 1 A 36 36 SER CB C 36 63.865 65.927 -2.062 1 1 320 . 13 1 1 A 36 36 SER C C 36 175.009 173.384 1.625 1 1 322 . 13 1 1 A 37 37 GLY N N 37 110.718 110.493 0.225 1 1 323 . 13 1 1 A 37 37 GLY H H 37 8.233 8.625 -0.392 1 1 324 . 13 1 1 A 37 37 GLY CA C 37 45.254 45.801 -0.547 1 1 325 . 13 1 1 A 37 37 GLY HA3 H 37 3.930 4.246 -0.316 1 1 326 . 13 1 1 A 37 37 GLY C C 37 174.063 172.878 1.185 1 1 327 . 13 1 1 A 37 37 GLY HA2 H 37 3.930 4.238 -0.308 1 1 328 . 13 1 1 A 38 38 GLU N N 38 120.467 121.544 -1.077 1 1 329 . 13 1 1 A 38 38 GLU H H 38 8.063 8.167 -0.104 1 1 330 . 13 1 1 A 38 38 GLU CA C 38 56.324 54.971 1.353 1 1 331 . 13 1 1 A 38 38 GLU HA H 38 4.202 4.860 -0.658 1 1 332 . 13 1 1 A 38 38 GLU CB C 38 30.407 31.817 -1.410 1 1 336 . 13 1 1 A 38 38 GLU C C 38 176.234 174.463 1.771 1 1 339 . 13 1 1 A 39 39 LYS N N 39 123.848 127.802 -3.954 1 1 340 . 13 1 1 A 39 39 LYS H H 39 8.379 8.657 -0.278 1 1 341 . 13 1 1 A 39 39 LYS CA C 39 54.044 53.189 0.855 1 1 342 . 13 1 1 A 39 39 LYS HA H 39 4.553 4.694 -0.141 1 1 343 . 13 1 1 A 39 39 LYS CB C 39 32.409 33.639 -1.230 1 1 351 . 13 1 1 A 39 39 LYS C C 39 174.964 175.861 -0.897 1 1 356 . 13 1 1 A 40 40 PRO CA C 40 63.191 64.419 -1.228 1 1 357 . 13 1 1 A 40 40 PRO HA H 40 4.410 4.458 -0.048 1 1 358 . 13 1 1 A 40 40 PRO CB C 40 32.091 32.233 -0.142 1 1 1 . 14 1 1 A 9 9 GLY CA C 9 45.245 46.812 -1.567 1 1 2 . 14 1 1 A 9 9 GLY HA3 H 9 3.924 3.888 0.036 1 1 3 . 14 1 1 A 9 9 GLY C C 9 174.036 174.485 -0.449 1 1 4 . 14 1 1 A 9 9 GLY HA2 H 9 3.924 3.884 0.040 1 1 5 . 14 1 1 A 10 10 GLU N N 10 120.696 113.328 7.368 1 1 6 . 14 1 1 A 10 10 GLU H H 10 8.207 7.667 0.540 1 1 7 . 14 1 1 A 10 10 GLU CA C 10 56.534 55.164 1.370 1 1 8 . 14 1 1 A 10 10 GLU HA H 10 4.133 4.824 -0.691 1 1 9 . 14 1 1 A 10 10 GLU CB C 10 30.333 31.834 -1.501 1 1 13 . 14 1 1 A 10 10 GLU C C 10 175.895 173.726 2.169 1 1 16 . 14 1 1 A 11 11 LYS N N 11 122.388 118.772 3.616 1 1 17 . 14 1 1 A 11 11 LYS H H 11 8.194 8.460 -0.266 1 1 18 . 14 1 1 A 11 11 LYS CA C 11 53.829 53.358 0.471 1 1 19 . 14 1 1 A 11 11 LYS HA H 11 4.210 4.881 -0.671 1 1 20 . 14 1 1 A 11 11 LYS CB C 11 31.954 33.370 -1.416 1 1 28 . 14 1 1 A 11 11 LYS C C 11 174.474 176.444 -1.970 1 1 33 . 14 1 1 A 12 12 PRO CA C 12 64.016 64.322 -0.306 1 1 34 . 14 1 1 A 12 12 PRO HA H 12 4.100 4.363 -0.263 1 1 35 . 14 1 1 A 12 12 PRO CB C 12 32.091 32.114 -0.023 1 1 41 . 14 1 1 A 12 12 PRO C C 12 176.288 176.218 0.070 1 1 45 . 14 1 1 A 13 13 PHE N N 13 117.244 117.323 -0.079 1 1 46 . 14 1 1 A 13 13 PHE H H 13 7.539 7.702 -0.163 1 1 47 . 14 1 1 A 13 13 PHE CA C 13 57.505 56.650 0.855 1 1 48 . 14 1 1 A 13 13 PHE HA H 13 4.650 5.106 -0.456 1 1 49 . 14 1 1 A 13 13 PHE CB C 13 39.645 42.257 -2.612 1 1 61 . 14 1 1 A 13 13 PHE C C 13 174.436 174.793 -0.357 1 1 63 . 14 1 1 A 14 14 LYS N N 14 123.175 120.390 2.785 1 1 64 . 14 1 1 A 14 14 LYS H H 14 8.664 9.115 -0.451 1 1 65 . 14 1 1 A 14 14 LYS CA C 14 54.292 54.531 -0.239 1 1 66 . 14 1 1 A 14 14 LYS HA H 14 5.102 5.441 -0.339 1 1 67 . 14 1 1 A 14 14 LYS CB C 14 34.850 36.173 -1.323 1 1 75 . 14 1 1 A 14 14 LYS C C 14 176.027 175.070 0.957 1 1 80 . 14 1 1 A 15 15 CYS N N 15 126.518 120.739 5.779 1 1 81 . 14 1 1 A 15 15 CYS H H 15 9.121 9.173 -0.052 1 1 82 . 14 1 1 A 15 15 CYS CA C 15 59.421 60.089 -0.668 1 1 83 . 14 1 1 A 15 15 CYS HA H 15 4.379 4.624 -0.245 1 1 84 . 14 1 1 A 15 15 CYS CB C 15 30.467 28.694 1.773 1 1 86 . 14 1 1 A 15 15 CYS C C 15 177.905 176.576 1.329 1 1 88 . 14 1 1 A 16 16 GLU N N 16 131.837 124.259 7.578 1 1 89 . 14 1 1 A 16 16 GLU H H 16 9.146 8.860 0.286 1 1 90 . 14 1 1 A 16 16 GLU CA C 16 58.767 58.065 0.702 1 1 91 . 14 1 1 A 16 16 GLU HA H 16 4.015 4.186 -0.171 1 1 92 . 14 1 1 A 16 16 GLU CB C 16 30.034 30.218 -0.184 1 1 96 . 14 1 1 A 16 16 GLU C C 16 176.586 178.572 -1.986 1 1 99 . 14 1 1 A 17 17 GLU N N 17 120.271 119.271 1.000 1 1 100 . 14 1 1 A 17 17 GLU H H 17 8.759 7.593 1.166 1 1 101 . 14 1 1 A 17 17 GLU CA C 17 58.156 58.687 -0.531 1 1 102 . 14 1 1 A 17 17 GLU HA H 17 4.187 3.955 0.232 1 1 103 . 14 1 1 A 17 17 GLU CB C 17 29.903 29.294 0.609 1 1 107 . 14 1 1 A 17 17 GLU C C 17 177.311 178.129 -0.818 1 1 110 . 14 1 1 A 18 18 CYS N N 18 115.586 114.931 0.655 1 1 111 . 14 1 1 A 18 18 CYS H H 18 8.194 7.850 0.344 1 1 112 . 14 1 1 A 18 18 CYS CA C 18 58.370 59.699 -1.329 1 1 113 . 14 1 1 A 18 18 CYS HA H 18 5.102 4.589 0.513 1 1 114 . 14 1 1 A 18 18 CYS CB C 18 32.475 29.406 3.069 1 1 116 . 14 1 1 A 18 18 CYS C C 18 176.599 175.263 1.336 1 1 118 . 14 1 1 A 19 19 GLY N N 19 113.385 109.593 3.792 1 1 119 . 14 1 1 A 19 19 GLY H H 19 8.078 7.905 0.173 1 1 120 . 14 1 1 A 19 19 GLY CA C 19 46.212 44.912 1.300 1 1 121 . 14 1 1 A 19 19 GLY HA3 H 19 4.170 4.021 0.149 1 1 122 . 14 1 1 A 19 19 GLY C C 19 173.387 174.421 -1.034 1 1 123 . 14 1 1 A 19 19 GLY HA2 H 19 3.725 4.006 -0.281 1 1 124 . 14 1 1 A 20 20 LYS N N 20 123.491 122.377 1.114 1 1 125 . 14 1 1 A 20 20 LYS H H 20 8.031 7.492 0.539 1 1 126 . 14 1 1 A 20 20 LYS CA C 20 58.327 56.868 1.459 1 1 127 . 14 1 1 A 20 20 LYS HA H 20 3.865 3.949 -0.084 1 1 128 . 14 1 1 A 20 20 LYS CB C 20 33.833 33.081 0.752 1 1 136 . 14 1 1 A 20 20 LYS C C 20 174.752 175.560 -0.808 1 1 141 . 14 1 1 A 21 21 GLY N N 21 108.772 112.186 -3.414 1 1 142 . 14 1 1 A 21 21 GLY H H 21 7.874 8.161 -0.287 1 1 143 . 14 1 1 A 21 21 GLY CA C 21 44.209 44.306 -0.097 1 1 144 . 14 1 1 A 21 21 GLY HA3 H 21 4.844 3.861 0.983 1 1 145 . 14 1 1 A 21 21 GLY C C 21 172.496 172.417 0.079 1 1 146 . 14 1 1 A 21 21 GLY HA2 H 21 3.160 3.841 -0.681 1 1 147 . 14 1 1 A 22 22 PHE N N 22 117.732 120.941 -3.209 1 1 148 . 14 1 1 A 22 22 PHE H H 22 8.744 8.532 0.212 1 1 149 . 14 1 1 A 22 22 PHE CA C 22 57.105 56.363 0.742 1 1 150 . 14 1 1 A 22 22 PHE HA H 22 4.459 4.825 -0.366 1 1 151 . 14 1 1 A 22 22 PHE CB C 22 44.303 43.889 0.414 1 1 163 . 14 1 1 A 22 22 PHE C C 22 175.019 174.661 0.358 1 1 165 . 14 1 1 A 23 23 TYR N N 23 117.772 120.303 -2.531 1 1 166 . 14 1 1 A 23 23 TYR H H 23 8.874 8.782 0.092 1 1 167 . 14 1 1 A 23 23 TYR CA C 23 61.344 58.919 2.425 1 1 168 . 14 1 1 A 23 23 TYR HA H 23 4.596 4.921 -0.325 1 1 169 . 14 1 1 A 23 23 TYR CB C 23 39.493 40.816 -1.323 1 1 179 . 14 1 1 A 23 23 TYR C C 23 176.259 175.649 0.610 1 1 181 . 14 1 1 A 24 24 THR N N 24 104.091 110.162 -6.071 1 1 182 . 14 1 1 A 24 24 THR H H 24 7.364 7.684 -0.320 1 1 183 . 14 1 1 A 24 24 THR CA C 24 58.807 59.497 -0.690 1 1 184 . 14 1 1 A 24 24 THR HA H 24 4.697 4.428 0.269 1 1 185 . 14 1 1 A 24 24 THR CB C 24 72.491 71.510 0.981 1 1 191 . 14 1 1 A 24 24 THR C C 24 173.941 174.564 -0.623 1 1 192 . 14 1 1 A 25 25 ASN N N 25 121.743 121.928 -0.185 1 1 193 . 14 1 1 A 25 25 ASN H H 25 8.167 8.621 -0.454 1 1 194 . 14 1 1 A 25 25 ASN CA C 25 55.394 56.663 -1.269 1 1 195 . 14 1 1 A 25 25 ASN HA H 25 3.488 4.235 -0.747 1 1 196 . 14 1 1 A 25 25 ASN CB C 25 37.914 38.574 -0.660 1 1 201 . 14 1 1 A 25 25 ASN C C 25 177.445 177.023 0.422 1 1 203 . 14 1 1 A 26 26 SER CA C 26 61.273 61.631 -0.358 1 1 204 . 14 1 1 A 26 26 SER HA H 26 4.001 3.986 0.015 1 1 205 . 14 1 1 A 26 26 SER CB C 26 62.053 62.913 -0.860 1 1 207 . 14 1 1 A 26 26 SER C C 26 177.544 177.352 0.192 1 1 209 . 14 1 1 A 27 27 GLN N N 27 121.070 120.082 0.988 1 1 210 . 14 1 1 A 27 27 GLN H H 27 7.488 7.519 -0.031 1 1 211 . 14 1 1 A 27 27 GLN CA C 27 58.360 58.945 -0.585 1 1 212 . 14 1 1 A 27 27 GLN HA H 27 3.904 3.908 -0.004 1 1 213 . 14 1 1 A 27 27 GLN CB C 27 28.821 28.419 0.402 1 1 220 . 14 1 1 A 27 27 GLN C C 27 178.094 177.898 0.196 1 1 223 . 14 1 1 A 28 28 CYS N N 28 120.697 118.691 2.006 1 1 224 . 14 1 1 A 28 28 CYS H H 28 7.220 7.621 -0.401 1 1 225 . 14 1 1 A 28 28 CYS CA C 28 61.758 62.620 -0.862 1 1 226 . 14 1 1 A 28 28 CYS HA H 28 2.831 2.808 0.023 1 1 227 . 14 1 1 A 28 28 CYS CB C 28 26.350 26.634 -0.284 1 1 229 . 14 1 1 A 28 28 CYS C C 28 175.755 176.872 -1.117 1 1 231 . 14 1 1 A 29 29 TYR N N 29 119.853 121.914 -2.061 1 1 232 . 14 1 1 A 29 29 TYR H H 29 8.676 7.957 0.719 1 1 233 . 14 1 1 A 29 29 TYR CA C 29 61.209 61.740 -0.531 1 1 234 . 14 1 1 A 29 29 TYR HA H 29 4.190 4.139 0.051 1 1 235 . 14 1 1 A 29 29 TYR CB C 29 37.680 38.420 -0.740 1 1 245 . 14 1 1 A 29 29 TYR C C 29 178.450 177.386 1.064 1 1 247 . 14 1 1 A 30 30 SER N N 30 113.870 114.376 -0.506 1 1 248 . 14 1 1 A 30 30 SER H H 30 7.941 8.473 -0.532 1 1 249 . 14 1 1 A 30 30 SER CA C 30 61.619 61.946 -0.327 1 1 250 . 14 1 1 A 30 30 SER HA H 30 3.929 4.118 -0.189 1 1 251 . 14 1 1 A 30 30 SER CB C 30 62.511 63.096 -0.585 1 1 253 . 14 1 1 A 30 30 SER C C 30 177.338 177.118 0.220 1 1 255 . 14 1 1 A 31 31 HIS N N 31 120.082 121.390 -1.308 1 1 256 . 14 1 1 A 31 31 HIS H H 31 7.472 8.031 -0.559 1 1 257 . 14 1 1 A 31 31 HIS CA C 31 59.031 60.022 -0.991 1 1 258 . 14 1 1 A 31 31 HIS HA H 31 4.166 4.249 -0.083 1 1 259 . 14 1 1 A 31 31 HIS CB C 31 27.883 29.384 -1.501 1 1 265 . 14 1 1 A 31 31 HIS C C 31 177.933 177.182 0.751 1 1 267 . 14 1 1 A 32 32 GLN N N 32 122.469 117.203 5.266 1 1 268 . 14 1 1 A 32 32 GLN H H 32 8.922 7.738 1.184 1 1 269 . 14 1 1 A 32 32 GLN CA C 32 59.712 59.197 0.515 1 1 270 . 14 1 1 A 32 32 GLN HA H 32 3.803 3.995 -0.192 1 1 271 . 14 1 1 A 32 32 GLN CB C 32 28.541 28.308 0.233 1 1 278 . 14 1 1 A 32 32 GLN C C 32 178.714 177.809 0.905 1 1 281 . 14 1 1 A 33 33 ARG N N 33 117.875 119.025 -1.150 1 1 282 . 14 1 1 A 33 33 ARG H H 33 7.460 7.762 -0.302 1 1 283 . 14 1 1 A 33 33 ARG CA C 33 58.084 59.826 -1.742 1 1 284 . 14 1 1 A 33 33 ARG HA H 33 3.987 3.964 0.023 1 1 285 . 14 1 1 A 33 33 ARG CB C 33 29.643 29.886 -0.243 1 1 291 . 14 1 1 A 33 33 ARG C C 33 177.881 178.507 -0.626 1 1 295 . 14 1 1 A 34 34 SER N N 34 114.760 115.108 -0.348 1 1 296 . 14 1 1 A 34 34 SER H H 34 7.661 7.973 -0.312 1 1 297 . 14 1 1 A 34 34 SER CA C 34 60.528 61.668 -1.140 1 1 298 . 14 1 1 A 34 34 SER HA H 34 4.157 4.017 0.140 1 1 299 . 14 1 1 A 34 34 SER CB C 34 63.155 62.757 0.398 1 1 301 . 14 1 1 A 34 34 SER C C 34 175.370 177.117 -1.747 1 1 303 . 14 1 1 A 35 35 HIS N N 35 119.408 118.806 0.602 1 1 304 . 14 1 1 A 35 35 HIS H H 35 7.149 7.747 -0.598 1 1 305 . 14 1 1 A 35 35 HIS CA C 35 56.612 58.847 -2.235 1 1 306 . 14 1 1 A 35 35 HIS HA H 35 4.591 4.394 0.197 1 1 307 . 14 1 1 A 35 35 HIS CB C 35 28.543 29.453 -0.910 1 1 313 . 14 1 1 A 35 35 HIS C C 35 175.587 176.501 -0.914 1 1 315 . 14 1 1 A 36 36 SER N N 36 114.717 113.311 1.406 1 1 316 . 14 1 1 A 36 36 SER H H 36 7.831 7.582 0.249 1 1 317 . 14 1 1 A 36 36 SER CA C 36 58.643 60.124 -1.481 1 1 318 . 14 1 1 A 36 36 SER HA H 36 4.412 4.087 0.325 1 1 319 . 14 1 1 A 36 36 SER CB C 36 63.865 62.666 1.199 1 1 320 . 14 1 1 A 36 36 SER C C 36 175.009 174.915 0.094 1 1 322 . 14 1 1 A 37 37 GLY N N 37 110.718 114.901 -4.183 1 1 323 . 14 1 1 A 37 37 GLY H H 37 8.233 8.843 -0.610 1 1 324 . 14 1 1 A 37 37 GLY CA C 37 45.254 45.275 -0.021 1 1 325 . 14 1 1 A 37 37 GLY HA3 H 37 3.930 3.997 -0.067 1 1 326 . 14 1 1 A 37 37 GLY C C 37 174.063 174.438 -0.375 1 1 327 . 14 1 1 A 37 37 GLY HA2 H 37 3.930 3.992 -0.062 1 1 328 . 14 1 1 A 38 38 GLU N N 38 120.467 122.321 -1.854 1 1 329 . 14 1 1 A 38 38 GLU H H 38 8.063 7.817 0.246 1 1 330 . 14 1 1 A 38 38 GLU CA C 38 56.324 56.812 -0.488 1 1 331 . 14 1 1 A 38 38 GLU HA H 38 4.202 4.252 -0.050 1 1 332 . 14 1 1 A 38 38 GLU CB C 38 30.407 30.354 0.053 1 1 336 . 14 1 1 A 38 38 GLU C C 38 176.234 176.437 -0.203 1 1 339 . 14 1 1 A 39 39 LYS N N 39 123.848 125.815 -1.967 1 1 340 . 14 1 1 A 39 39 LYS H H 39 8.379 8.467 -0.088 1 1 341 . 14 1 1 A 39 39 LYS CA C 39 54.044 55.148 -1.104 1 1 342 . 14 1 1 A 39 39 LYS HA H 39 4.553 4.253 0.300 1 1 343 . 14 1 1 A 39 39 LYS CB C 39 32.409 31.961 0.448 1 1 351 . 14 1 1 A 39 39 LYS C C 39 174.964 176.927 -1.963 1 1 356 . 14 1 1 A 40 40 PRO CA C 40 63.191 64.407 -1.216 1 1 357 . 14 1 1 A 40 40 PRO HA H 40 4.410 4.484 -0.074 1 1 358 . 14 1 1 A 40 40 PRO CB C 40 32.091 32.215 -0.124 1 1 1 . 15 1 1 A 9 9 GLY CA C 9 45.245 45.774 -0.529 1 1 2 . 15 1 1 A 9 9 GLY HA3 H 9 3.924 4.138 -0.214 1 1 3 . 15 1 1 A 9 9 GLY C C 9 174.036 173.808 0.228 1 1 4 . 15 1 1 A 9 9 GLY HA2 H 9 3.924 4.135 -0.211 1 1 5 . 15 1 1 A 10 10 GLU N N 10 120.696 116.543 4.153 1 1 6 . 15 1 1 A 10 10 GLU H H 10 8.207 7.815 0.392 1 1 7 . 15 1 1 A 10 10 GLU CA C 10 56.534 55.046 1.488 1 1 8 . 15 1 1 A 10 10 GLU HA H 10 4.133 4.808 -0.675 1 1 9 . 15 1 1 A 10 10 GLU CB C 10 30.333 33.697 -3.364 1 1 13 . 15 1 1 A 10 10 GLU C C 10 175.895 174.312 1.583 1 1 16 . 15 1 1 A 11 11 LYS N N 11 122.388 120.133 2.255 1 1 17 . 15 1 1 A 11 11 LYS H H 11 8.194 8.548 -0.354 1 1 18 . 15 1 1 A 11 11 LYS CA C 11 53.829 53.248 0.581 1 1 19 . 15 1 1 A 11 11 LYS HA H 11 4.210 4.830 -0.620 1 1 20 . 15 1 1 A 11 11 LYS CB C 11 31.954 35.388 -3.434 1 1 28 . 15 1 1 A 11 11 LYS C C 11 174.474 176.388 -1.914 1 1 33 . 15 1 1 A 12 12 PRO CA C 12 64.016 64.316 -0.300 1 1 34 . 15 1 1 A 12 12 PRO HA H 12 4.100 4.326 -0.226 1 1 35 . 15 1 1 A 12 12 PRO CB C 12 32.091 32.118 -0.027 1 1 41 . 15 1 1 A 12 12 PRO C C 12 176.288 176.094 0.194 1 1 45 . 15 1 1 A 13 13 PHE N N 13 117.244 116.930 0.314 1 1 46 . 15 1 1 A 13 13 PHE H H 13 7.539 7.685 -0.146 1 1 47 . 15 1 1 A 13 13 PHE CA C 13 57.505 56.640 0.865 1 1 48 . 15 1 1 A 13 13 PHE HA H 13 4.650 5.044 -0.394 1 1 49 . 15 1 1 A 13 13 PHE CB C 13 39.645 42.639 -2.994 1 1 61 . 15 1 1 A 13 13 PHE C C 13 174.436 174.844 -0.408 1 1 63 . 15 1 1 A 14 14 LYS N N 14 123.175 120.406 2.769 1 1 64 . 15 1 1 A 14 14 LYS H H 14 8.664 9.145 -0.481 1 1 65 . 15 1 1 A 14 14 LYS CA C 14 54.292 54.414 -0.122 1 1 66 . 15 1 1 A 14 14 LYS HA H 14 5.102 5.550 -0.448 1 1 67 . 15 1 1 A 14 14 LYS CB C 14 34.850 36.065 -1.215 1 1 75 . 15 1 1 A 14 14 LYS C C 14 176.027 175.005 1.022 1 1 80 . 15 1 1 A 15 15 CYS N N 15 126.518 120.888 5.630 1 1 81 . 15 1 1 A 15 15 CYS H H 15 9.121 9.322 -0.201 1 1 82 . 15 1 1 A 15 15 CYS CA C 15 59.421 59.693 -0.272 1 1 83 . 15 1 1 A 15 15 CYS HA H 15 4.379 4.744 -0.365 1 1 84 . 15 1 1 A 15 15 CYS CB C 15 30.467 28.642 1.825 1 1 86 . 15 1 1 A 15 15 CYS C C 15 177.905 176.636 1.269 1 1 88 . 15 1 1 A 16 16 GLU N N 16 131.837 123.747 8.090 1 1 89 . 15 1 1 A 16 16 GLU H H 16 9.146 8.826 0.320 1 1 90 . 15 1 1 A 16 16 GLU CA C 16 58.767 58.126 0.641 1 1 91 . 15 1 1 A 16 16 GLU HA H 16 4.015 4.276 -0.261 1 1 92 . 15 1 1 A 16 16 GLU CB C 16 30.034 30.538 -0.504 1 1 96 . 15 1 1 A 16 16 GLU C C 16 176.586 178.611 -2.025 1 1 99 . 15 1 1 A 17 17 GLU N N 17 120.271 119.455 0.816 1 1 100 . 15 1 1 A 17 17 GLU H H 17 8.759 7.873 0.886 1 1 101 . 15 1 1 A 17 17 GLU CA C 17 58.156 58.658 -0.502 1 1 102 . 15 1 1 A 17 17 GLU HA H 17 4.187 3.995 0.192 1 1 103 . 15 1 1 A 17 17 GLU CB C 17 29.903 29.372 0.531 1 1 107 . 15 1 1 A 17 17 GLU C C 17 177.311 178.182 -0.871 1 1 110 . 15 1 1 A 18 18 CYS N N 18 115.586 115.025 0.561 1 1 111 . 15 1 1 A 18 18 CYS H H 18 8.194 8.014 0.180 1 1 112 . 15 1 1 A 18 18 CYS CA C 18 58.370 59.754 -1.384 1 1 113 . 15 1 1 A 18 18 CYS HA H 18 5.102 4.620 0.482 1 1 114 . 15 1 1 A 18 18 CYS CB C 18 32.475 29.454 3.021 1 1 116 . 15 1 1 A 18 18 CYS C C 18 176.599 175.386 1.213 1 1 118 . 15 1 1 A 19 19 GLY N N 19 113.385 109.862 3.523 1 1 119 . 15 1 1 A 19 19 GLY H H 19 8.078 7.975 0.103 1 1 120 . 15 1 1 A 19 19 GLY CA C 19 46.212 44.891 1.321 1 1 121 . 15 1 1 A 19 19 GLY HA3 H 19 4.170 4.055 0.115 1 1 122 . 15 1 1 A 19 19 GLY C C 19 173.387 174.414 -1.027 1 1 123 . 15 1 1 A 19 19 GLY HA2 H 19 3.725 4.032 -0.307 1 1 124 . 15 1 1 A 20 20 LYS N N 20 123.491 122.374 1.117 1 1 125 . 15 1 1 A 20 20 LYS H H 20 8.031 7.507 0.524 1 1 126 . 15 1 1 A 20 20 LYS CA C 20 58.327 56.885 1.442 1 1 127 . 15 1 1 A 20 20 LYS HA H 20 3.865 3.947 -0.082 1 1 128 . 15 1 1 A 20 20 LYS CB C 20 33.833 32.955 0.878 1 1 136 . 15 1 1 A 20 20 LYS C C 20 174.752 175.617 -0.865 1 1 141 . 15 1 1 A 21 21 GLY N N 21 108.772 111.876 -3.104 1 1 142 . 15 1 1 A 21 21 GLY H H 21 7.874 8.199 -0.325 1 1 143 . 15 1 1 A 21 21 GLY CA C 21 44.209 44.527 -0.318 1 1 144 . 15 1 1 A 21 21 GLY HA3 H 21 4.844 3.793 1.051 1 1 145 . 15 1 1 A 21 21 GLY C C 21 172.496 172.549 -0.053 1 1 146 . 15 1 1 A 21 21 GLY HA2 H 21 3.160 3.773 -0.613 1 1 147 . 15 1 1 A 22 22 PHE N N 22 117.732 119.989 -2.257 1 1 148 . 15 1 1 A 22 22 PHE H H 22 8.744 8.426 0.318 1 1 149 . 15 1 1 A 22 22 PHE CA C 22 57.105 56.311 0.794 1 1 150 . 15 1 1 A 22 22 PHE HA H 22 4.459 4.857 -0.398 1 1 151 . 15 1 1 A 22 22 PHE CB C 22 44.303 44.061 0.242 1 1 163 . 15 1 1 A 22 22 PHE C C 22 175.019 174.594 0.425 1 1 165 . 15 1 1 A 23 23 TYR N N 23 117.772 119.659 -1.887 1 1 166 . 15 1 1 A 23 23 TYR H H 23 8.874 8.757 0.117 1 1 167 . 15 1 1 A 23 23 TYR CA C 23 61.344 58.906 2.438 1 1 168 . 15 1 1 A 23 23 TYR HA H 23 4.596 4.991 -0.395 1 1 169 . 15 1 1 A 23 23 TYR CB C 23 39.493 41.159 -1.666 1 1 179 . 15 1 1 A 23 23 TYR C C 23 176.259 175.725 0.534 1 1 181 . 15 1 1 A 24 24 THR N N 24 104.091 110.385 -6.294 1 1 182 . 15 1 1 A 24 24 THR H H 24 7.364 7.705 -0.341 1 1 183 . 15 1 1 A 24 24 THR CA C 24 58.807 59.880 -1.073 1 1 184 . 15 1 1 A 24 24 THR HA H 24 4.697 4.365 0.332 1 1 185 . 15 1 1 A 24 24 THR CB C 24 72.491 70.955 1.536 1 1 191 . 15 1 1 A 24 24 THR C C 24 173.941 174.816 -0.875 1 1 192 . 15 1 1 A 25 25 ASN N N 25 121.743 123.292 -1.549 1 1 193 . 15 1 1 A 25 25 ASN H H 25 8.167 8.653 -0.486 1 1 194 . 15 1 1 A 25 25 ASN CA C 25 55.394 56.040 -0.646 1 1 195 . 15 1 1 A 25 25 ASN HA H 25 3.488 4.241 -0.753 1 1 196 . 15 1 1 A 25 25 ASN CB C 25 37.914 37.594 0.320 1 1 201 . 15 1 1 A 25 25 ASN C C 25 177.445 177.077 0.368 1 1 203 . 15 1 1 A 26 26 SER CA C 26 61.273 61.615 -0.342 1 1 204 . 15 1 1 A 26 26 SER HA H 26 4.001 4.023 -0.022 1 1 205 . 15 1 1 A 26 26 SER CB C 26 62.053 62.612 -0.559 1 1 207 . 15 1 1 A 26 26 SER C C 26 177.544 176.849 0.695 1 1 209 . 15 1 1 A 27 27 GLN N N 27 121.070 120.481 0.589 1 1 210 . 15 1 1 A 27 27 GLN H H 27 7.488 7.887 -0.399 1 1 211 . 15 1 1 A 27 27 GLN CA C 27 58.360 58.641 -0.281 1 1 212 . 15 1 1 A 27 27 GLN HA H 27 3.904 3.927 -0.023 1 1 213 . 15 1 1 A 27 27 GLN CB C 27 28.821 28.456 0.365 1 1 220 . 15 1 1 A 27 27 GLN C C 27 178.094 177.885 0.209 1 1 223 . 15 1 1 A 28 28 CYS N N 28 120.697 118.591 2.106 1 1 224 . 15 1 1 A 28 28 CYS H H 28 7.220 7.528 -0.308 1 1 225 . 15 1 1 A 28 28 CYS CA C 28 61.758 62.432 -0.674 1 1 226 . 15 1 1 A 28 28 CYS HA H 28 2.831 2.329 0.502 1 1 227 . 15 1 1 A 28 28 CYS CB C 28 26.350 26.326 0.024 1 1 229 . 15 1 1 A 28 28 CYS C C 28 175.755 176.769 -1.014 1 1 231 . 15 1 1 A 29 29 TYR N N 29 119.853 121.704 -1.851 1 1 232 . 15 1 1 A 29 29 TYR H H 29 8.676 8.175 0.501 1 1 233 . 15 1 1 A 29 29 TYR CA C 29 61.209 61.747 -0.538 1 1 234 . 15 1 1 A 29 29 TYR HA H 29 4.190 4.032 0.158 1 1 235 . 15 1 1 A 29 29 TYR CB C 29 37.680 38.591 -0.911 1 1 245 . 15 1 1 A 29 29 TYR C C 29 178.450 177.091 1.359 1 1 247 . 15 1 1 A 30 30 SER N N 30 113.870 113.931 -0.061 1 1 248 . 15 1 1 A 30 30 SER H H 30 7.941 8.443 -0.502 1 1 249 . 15 1 1 A 30 30 SER CA C 30 61.619 61.833 -0.214 1 1 250 . 15 1 1 A 30 30 SER HA H 30 3.929 4.113 -0.184 1 1 251 . 15 1 1 A 30 30 SER CB C 30 62.511 62.958 -0.447 1 1 253 . 15 1 1 A 30 30 SER C C 30 177.338 177.168 0.170 1 1 255 . 15 1 1 A 31 31 HIS N N 31 120.082 120.521 -0.439 1 1 256 . 15 1 1 A 31 31 HIS H H 31 7.472 7.389 0.083 1 1 257 . 15 1 1 A 31 31 HIS CA C 31 59.031 59.574 -0.543 1 1 258 . 15 1 1 A 31 31 HIS HA H 31 4.166 4.296 -0.130 1 1 259 . 15 1 1 A 31 31 HIS CB C 31 27.883 30.021 -2.138 1 1 265 . 15 1 1 A 31 31 HIS C C 31 177.933 177.374 0.559 1 1 267 . 15 1 1 A 32 32 GLN N N 32 122.469 118.266 4.203 1 1 268 . 15 1 1 A 32 32 GLN H H 32 8.922 8.357 0.565 1 1 269 . 15 1 1 A 32 32 GLN CA C 32 59.712 59.452 0.260 1 1 270 . 15 1 1 A 32 32 GLN HA H 32 3.803 3.994 -0.191 1 1 271 . 15 1 1 A 32 32 GLN CB C 32 28.541 28.124 0.417 1 1 278 . 15 1 1 A 32 32 GLN C C 32 178.714 178.422 0.292 1 1 281 . 15 1 1 A 33 33 ARG N N 33 117.875 118.974 -1.099 1 1 282 . 15 1 1 A 33 33 ARG H H 33 7.460 8.540 -1.080 1 1 283 . 15 1 1 A 33 33 ARG CA C 33 58.084 58.685 -0.601 1 1 284 . 15 1 1 A 33 33 ARG HA H 33 3.987 4.131 -0.144 1 1 285 . 15 1 1 A 33 33 ARG CB C 33 29.643 29.842 -0.199 1 1 291 . 15 1 1 A 33 33 ARG C C 33 177.881 178.613 -0.732 1 1 295 . 15 1 1 A 34 34 SER N N 34 114.760 115.592 -0.832 1 1 296 . 15 1 1 A 34 34 SER H H 34 7.661 7.928 -0.267 1 1 297 . 15 1 1 A 34 34 SER CA C 34 60.528 61.352 -0.824 1 1 298 . 15 1 1 A 34 34 SER HA H 34 4.157 4.167 -0.010 1 1 299 . 15 1 1 A 34 34 SER CB C 34 63.155 62.838 0.317 1 1 301 . 15 1 1 A 34 34 SER C C 34 175.370 177.211 -1.841 1 1 303 . 15 1 1 A 35 35 HIS N N 35 119.408 120.079 -0.671 1 1 304 . 15 1 1 A 35 35 HIS H H 35 7.149 7.546 -0.397 1 1 305 . 15 1 1 A 35 35 HIS CA C 35 56.612 59.299 -2.687 1 1 306 . 15 1 1 A 35 35 HIS HA H 35 4.591 4.342 0.249 1 1 307 . 15 1 1 A 35 35 HIS CB C 35 28.543 29.786 -1.243 1 1 313 . 15 1 1 A 35 35 HIS C C 35 175.587 176.592 -1.005 1 1 315 . 15 1 1 A 36 36 SER N N 36 114.717 112.540 2.177 1 1 316 . 15 1 1 A 36 36 SER H H 36 7.831 8.032 -0.201 1 1 317 . 15 1 1 A 36 36 SER CA C 36 58.643 58.557 0.086 1 1 318 . 15 1 1 A 36 36 SER HA H 36 4.412 4.219 0.193 1 1 319 . 15 1 1 A 36 36 SER CB C 36 63.865 63.258 0.607 1 1 320 . 15 1 1 A 36 36 SER C C 36 175.009 174.186 0.823 1 1 322 . 15 1 1 A 37 37 GLY N N 37 110.718 113.962 -3.244 1 1 323 . 15 1 1 A 37 37 GLY H H 37 8.233 8.162 0.071 1 1 324 . 15 1 1 A 37 37 GLY CA C 37 45.254 46.102 -0.848 1 1 325 . 15 1 1 A 37 37 GLY HA3 H 37 3.930 4.181 -0.251 1 1 326 . 15 1 1 A 37 37 GLY C C 37 174.063 173.175 0.888 1 1 327 . 15 1 1 A 37 37 GLY HA2 H 37 3.930 4.176 -0.246 1 1 328 . 15 1 1 A 38 38 GLU N N 38 120.467 119.179 1.288 1 1 329 . 15 1 1 A 38 38 GLU H H 38 8.063 8.261 -0.198 1 1 330 . 15 1 1 A 38 38 GLU CA C 38 56.324 54.759 1.565 1 1 331 . 15 1 1 A 38 38 GLU HA H 38 4.202 4.935 -0.733 1 1 332 . 15 1 1 A 38 38 GLU CB C 38 30.407 32.938 -2.531 1 1 336 . 15 1 1 A 38 38 GLU C C 38 176.234 174.995 1.239 1 1 339 . 15 1 1 A 39 39 LYS N N 39 123.848 118.354 5.494 1 1 340 . 15 1 1 A 39 39 LYS H H 39 8.379 8.865 -0.486 1 1 341 . 15 1 1 A 39 39 LYS CA C 39 54.044 53.971 0.073 1 1 342 . 15 1 1 A 39 39 LYS HA H 39 4.553 4.980 -0.427 1 1 343 . 15 1 1 A 39 39 LYS CB C 39 32.409 35.947 -3.538 1 1 351 . 15 1 1 A 39 39 LYS C C 39 174.964 173.730 1.234 1 1 356 . 15 1 1 A 40 40 PRO CA C 40 63.191 62.752 0.439 1 1 357 . 15 1 1 A 40 40 PRO HA H 40 4.410 4.710 -0.300 1 1 358 . 15 1 1 A 40 40 PRO CB C 40 32.091 33.242 -1.151 1 1 1 . 16 1 1 A 9 9 GLY CA C 9 45.245 45.581 -0.336 1 1 2 . 16 1 1 A 9 9 GLY HA3 H 9 3.924 4.196 -0.272 1 1 3 . 16 1 1 A 9 9 GLY C C 9 174.036 173.998 0.038 1 1 4 . 16 1 1 A 9 9 GLY HA2 H 9 3.924 4.189 -0.265 1 1 5 . 16 1 1 A 10 10 GLU N N 10 120.696 121.564 -0.868 1 1 6 . 16 1 1 A 10 10 GLU H H 10 8.207 8.065 0.142 1 1 7 . 16 1 1 A 10 10 GLU CA C 10 56.534 55.213 1.321 1 1 8 . 16 1 1 A 10 10 GLU HA H 10 4.133 4.807 -0.674 1 1 9 . 16 1 1 A 10 10 GLU CB C 10 30.333 32.430 -2.097 1 1 13 . 16 1 1 A 10 10 GLU C C 10 175.895 175.253 0.642 1 1 16 . 16 1 1 A 11 11 LYS N N 11 122.388 125.365 -2.977 1 1 17 . 16 1 1 A 11 11 LYS H H 11 8.194 8.373 -0.179 1 1 18 . 16 1 1 A 11 11 LYS CA C 11 53.829 53.324 0.505 1 1 19 . 16 1 1 A 11 11 LYS HA H 11 4.210 4.804 -0.594 1 1 20 . 16 1 1 A 11 11 LYS CB C 11 31.954 34.493 -2.539 1 1 28 . 16 1 1 A 11 11 LYS C C 11 174.474 176.436 -1.962 1 1 33 . 16 1 1 A 12 12 PRO CA C 12 64.016 64.534 -0.518 1 1 34 . 16 1 1 A 12 12 PRO HA H 12 4.100 4.380 -0.280 1 1 35 . 16 1 1 A 12 12 PRO CB C 12 32.091 32.312 -0.221 1 1 41 . 16 1 1 A 12 12 PRO C C 12 176.288 176.373 -0.085 1 1 45 . 16 1 1 A 13 13 PHE N N 13 117.244 117.050 0.194 1 1 46 . 16 1 1 A 13 13 PHE H H 13 7.539 7.789 -0.250 1 1 47 . 16 1 1 A 13 13 PHE CA C 13 57.505 56.510 0.995 1 1 48 . 16 1 1 A 13 13 PHE HA H 13 4.650 5.157 -0.507 1 1 49 . 16 1 1 A 13 13 PHE CB C 13 39.645 42.151 -2.506 1 1 61 . 16 1 1 A 13 13 PHE C C 13 174.436 174.973 -0.537 1 1 63 . 16 1 1 A 14 14 LYS N N 14 123.175 120.413 2.762 1 1 64 . 16 1 1 A 14 14 LYS H H 14 8.664 9.211 -0.547 1 1 65 . 16 1 1 A 14 14 LYS CA C 14 54.292 54.516 -0.224 1 1 66 . 16 1 1 A 14 14 LYS HA H 14 5.102 5.294 -0.192 1 1 67 . 16 1 1 A 14 14 LYS CB C 14 34.850 36.167 -1.317 1 1 75 . 16 1 1 A 14 14 LYS C C 14 176.027 175.014 1.013 1 1 80 . 16 1 1 A 15 15 CYS N N 15 126.518 121.253 5.265 1 1 81 . 16 1 1 A 15 15 CYS H H 15 9.121 8.737 0.384 1 1 82 . 16 1 1 A 15 15 CYS CA C 15 59.421 59.809 -0.388 1 1 83 . 16 1 1 A 15 15 CYS HA H 15 4.379 4.714 -0.335 1 1 84 . 16 1 1 A 15 15 CYS CB C 15 30.467 28.617 1.850 1 1 86 . 16 1 1 A 15 15 CYS C C 15 177.905 176.678 1.227 1 1 88 . 16 1 1 A 16 16 GLU N N 16 131.837 123.804 8.033 1 1 89 . 16 1 1 A 16 16 GLU H H 16 9.146 8.775 0.371 1 1 90 . 16 1 1 A 16 16 GLU CA C 16 58.767 58.228 0.539 1 1 91 . 16 1 1 A 16 16 GLU HA H 16 4.015 4.272 -0.257 1 1 92 . 16 1 1 A 16 16 GLU CB C 16 30.034 30.514 -0.480 1 1 96 . 16 1 1 A 16 16 GLU C C 16 176.586 178.686 -2.100 1 1 99 . 16 1 1 A 17 17 GLU N N 17 120.271 119.550 0.721 1 1 100 . 16 1 1 A 17 17 GLU H H 17 8.759 7.824 0.935 1 1 101 . 16 1 1 A 17 17 GLU CA C 17 58.156 58.634 -0.478 1 1 102 . 16 1 1 A 17 17 GLU HA H 17 4.187 3.965 0.222 1 1 103 . 16 1 1 A 17 17 GLU CB C 17 29.903 29.288 0.615 1 1 107 . 16 1 1 A 17 17 GLU C C 17 177.311 178.002 -0.691 1 1 110 . 16 1 1 A 18 18 CYS N N 18 115.586 114.783 0.803 1 1 111 . 16 1 1 A 18 18 CYS H H 18 8.194 7.875 0.319 1 1 112 . 16 1 1 A 18 18 CYS CA C 18 58.370 59.733 -1.363 1 1 113 . 16 1 1 A 18 18 CYS HA H 18 5.102 4.579 0.523 1 1 114 . 16 1 1 A 18 18 CYS CB C 18 32.475 29.223 3.252 1 1 116 . 16 1 1 A 18 18 CYS C C 18 176.599 175.252 1.347 1 1 118 . 16 1 1 A 19 19 GLY N N 19 113.385 109.941 3.444 1 1 119 . 16 1 1 A 19 19 GLY H H 19 8.078 7.967 0.111 1 1 120 . 16 1 1 A 19 19 GLY CA C 19 46.212 44.932 1.280 1 1 121 . 16 1 1 A 19 19 GLY HA3 H 19 4.170 4.072 0.098 1 1 122 . 16 1 1 A 19 19 GLY C C 19 173.387 174.417 -1.030 1 1 123 . 16 1 1 A 19 19 GLY HA2 H 19 3.725 4.052 -0.327 1 1 124 . 16 1 1 A 20 20 LYS N N 20 123.491 122.324 1.167 1 1 125 . 16 1 1 A 20 20 LYS H H 20 8.031 7.377 0.654 1 1 126 . 16 1 1 A 20 20 LYS CA C 20 58.327 56.539 1.788 1 1 127 . 16 1 1 A 20 20 LYS HA H 20 3.865 3.947 -0.082 1 1 128 . 16 1 1 A 20 20 LYS CB C 20 33.833 32.836 0.997 1 1 136 . 16 1 1 A 20 20 LYS C C 20 174.752 175.699 -0.947 1 1 141 . 16 1 1 A 21 21 GLY N N 21 108.772 111.119 -2.347 1 1 142 . 16 1 1 A 21 21 GLY H H 21 7.874 8.092 -0.218 1 1 143 . 16 1 1 A 21 21 GLY CA C 21 44.209 43.977 0.232 1 1 144 . 16 1 1 A 21 21 GLY HA3 H 21 4.844 3.939 0.905 1 1 145 . 16 1 1 A 21 21 GLY C C 21 172.496 172.211 0.285 1 1 146 . 16 1 1 A 21 21 GLY HA2 H 21 3.160 3.913 -0.753 1 1 147 . 16 1 1 A 22 22 PHE N N 22 117.732 121.045 -3.313 1 1 148 . 16 1 1 A 22 22 PHE H H 22 8.744 8.292 0.452 1 1 149 . 16 1 1 A 22 22 PHE CA C 22 57.105 56.321 0.784 1 1 150 . 16 1 1 A 22 22 PHE HA H 22 4.459 4.802 -0.343 1 1 151 . 16 1 1 A 22 22 PHE CB C 22 44.303 43.889 0.414 1 1 163 . 16 1 1 A 22 22 PHE C C 22 175.019 174.649 0.370 1 1 165 . 16 1 1 A 23 23 TYR N N 23 117.772 119.593 -1.821 1 1 166 . 16 1 1 A 23 23 TYR H H 23 8.874 8.757 0.117 1 1 167 . 16 1 1 A 23 23 TYR CA C 23 61.344 58.818 2.526 1 1 168 . 16 1 1 A 23 23 TYR HA H 23 4.596 4.968 -0.372 1 1 169 . 16 1 1 A 23 23 TYR CB C 23 39.493 40.819 -1.326 1 1 179 . 16 1 1 A 23 23 TYR C C 23 176.259 175.655 0.604 1 1 181 . 16 1 1 A 24 24 THR N N 24 104.091 110.296 -6.205 1 1 182 . 16 1 1 A 24 24 THR H H 24 7.364 7.596 -0.232 1 1 183 . 16 1 1 A 24 24 THR CA C 24 58.807 59.451 -0.644 1 1 184 . 16 1 1 A 24 24 THR HA H 24 4.697 4.316 0.381 1 1 185 . 16 1 1 A 24 24 THR CB C 24 72.491 71.495 0.996 1 1 191 . 16 1 1 A 24 24 THR C C 24 173.941 174.674 -0.733 1 1 192 . 16 1 1 A 25 25 ASN N N 25 121.743 121.795 -0.052 1 1 193 . 16 1 1 A 25 25 ASN H H 25 8.167 8.405 -0.238 1 1 194 . 16 1 1 A 25 25 ASN CA C 25 55.394 56.889 -1.495 1 1 195 . 16 1 1 A 25 25 ASN HA H 25 3.488 4.231 -0.743 1 1 196 . 16 1 1 A 25 25 ASN CB C 25 37.914 38.716 -0.802 1 1 201 . 16 1 1 A 25 25 ASN C C 25 177.445 177.049 0.396 1 1 203 . 16 1 1 A 26 26 SER CA C 26 61.273 61.593 -0.320 1 1 204 . 16 1 1 A 26 26 SER HA H 26 4.001 4.044 -0.043 1 1 205 . 16 1 1 A 26 26 SER CB C 26 62.053 62.707 -0.654 1 1 207 . 16 1 1 A 26 26 SER C C 26 177.544 176.617 0.927 1 1 209 . 16 1 1 A 27 27 GLN N N 27 121.070 120.391 0.679 1 1 210 . 16 1 1 A 27 27 GLN H H 27 7.488 7.612 -0.124 1 1 211 . 16 1 1 A 27 27 GLN CA C 27 58.360 58.478 -0.118 1 1 212 . 16 1 1 A 27 27 GLN HA H 27 3.904 3.905 -0.001 1 1 213 . 16 1 1 A 27 27 GLN CB C 27 28.821 28.411 0.410 1 1 220 . 16 1 1 A 27 27 GLN C C 27 178.094 177.882 0.212 1 1 223 . 16 1 1 A 28 28 CYS N N 28 120.697 118.625 2.072 1 1 224 . 16 1 1 A 28 28 CYS H H 28 7.220 7.620 -0.400 1 1 225 . 16 1 1 A 28 28 CYS CA C 28 61.758 62.550 -0.792 1 1 226 . 16 1 1 A 28 28 CYS HA H 28 2.831 2.670 0.161 1 1 227 . 16 1 1 A 28 28 CYS CB C 28 26.350 26.168 0.182 1 1 229 . 16 1 1 A 28 28 CYS C C 28 175.755 176.776 -1.021 1 1 231 . 16 1 1 A 29 29 TYR N N 29 119.853 121.853 -2.000 1 1 232 . 16 1 1 A 29 29 TYR H H 29 8.676 8.385 0.291 1 1 233 . 16 1 1 A 29 29 TYR CA C 29 61.209 61.614 -0.405 1 1 234 . 16 1 1 A 29 29 TYR HA H 29 4.190 4.116 0.074 1 1 235 . 16 1 1 A 29 29 TYR CB C 29 37.680 38.552 -0.872 1 1 245 . 16 1 1 A 29 29 TYR C C 29 178.450 177.441 1.009 1 1 247 . 16 1 1 A 30 30 SER N N 30 113.870 114.202 -0.332 1 1 248 . 16 1 1 A 30 30 SER H H 30 7.941 8.603 -0.662 1 1 249 . 16 1 1 A 30 30 SER CA C 30 61.619 61.341 0.278 1 1 250 . 16 1 1 A 30 30 SER HA H 30 3.929 4.155 -0.226 1 1 251 . 16 1 1 A 30 30 SER CB C 30 62.511 62.984 -0.473 1 1 253 . 16 1 1 A 30 30 SER C C 30 177.338 176.891 0.447 1 1 255 . 16 1 1 A 31 31 HIS N N 31 120.082 120.241 -0.159 1 1 256 . 16 1 1 A 31 31 HIS H H 31 7.472 7.223 0.249 1 1 257 . 16 1 1 A 31 31 HIS CA C 31 59.031 59.594 -0.563 1 1 258 . 16 1 1 A 31 31 HIS HA H 31 4.166 4.217 -0.051 1 1 259 . 16 1 1 A 31 31 HIS CB C 31 27.883 29.957 -2.074 1 1 265 . 16 1 1 A 31 31 HIS C C 31 177.933 177.209 0.724 1 1 267 . 16 1 1 A 32 32 GLN N N 32 122.469 117.862 4.607 1 1 268 . 16 1 1 A 32 32 GLN H H 32 8.922 8.291 0.631 1 1 269 . 16 1 1 A 32 32 GLN CA C 32 59.712 59.339 0.373 1 1 270 . 16 1 1 A 32 32 GLN HA H 32 3.803 3.949 -0.146 1 1 271 . 16 1 1 A 32 32 GLN CB C 32 28.541 28.079 0.462 1 1 278 . 16 1 1 A 32 32 GLN C C 32 178.714 178.418 0.296 1 1 281 . 16 1 1 A 33 33 ARG N N 33 117.875 118.282 -0.407 1 1 282 . 16 1 1 A 33 33 ARG H H 33 7.460 8.006 -0.546 1 1 283 . 16 1 1 A 33 33 ARG CA C 33 58.084 58.690 -0.606 1 1 284 . 16 1 1 A 33 33 ARG HA H 33 3.987 4.012 -0.025 1 1 285 . 16 1 1 A 33 33 ARG CB C 33 29.643 29.816 -0.173 1 1 291 . 16 1 1 A 33 33 ARG C C 33 177.881 177.857 0.024 1 1 295 . 16 1 1 A 34 34 SER N N 34 114.760 113.615 1.145 1 1 296 . 16 1 1 A 34 34 SER H H 34 7.661 8.373 -0.712 1 1 297 . 16 1 1 A 34 34 SER CA C 34 60.528 61.291 -0.763 1 1 298 . 16 1 1 A 34 34 SER HA H 34 4.157 4.210 -0.053 1 1 299 . 16 1 1 A 34 34 SER CB C 34 63.155 62.267 0.888 1 1 301 . 16 1 1 A 34 34 SER C C 34 175.370 175.069 0.301 1 1 303 . 16 1 1 A 35 35 HIS N N 35 119.408 120.965 -1.557 1 1 304 . 16 1 1 A 35 35 HIS H H 35 7.149 7.192 -0.043 1 1 305 . 16 1 1 A 35 35 HIS CA C 35 56.612 57.002 -0.390 1 1 306 . 16 1 1 A 35 35 HIS HA H 35 4.591 4.452 0.139 1 1 307 . 16 1 1 A 35 35 HIS CB C 35 28.543 30.257 -1.714 1 1 313 . 16 1 1 A 35 35 HIS C C 35 175.587 175.868 -0.281 1 1 315 . 16 1 1 A 36 36 SER N N 36 114.717 116.109 -1.392 1 1 316 . 16 1 1 A 36 36 SER H H 36 7.831 8.989 -1.158 1 1 317 . 16 1 1 A 36 36 SER CA C 36 58.643 57.558 1.085 1 1 318 . 16 1 1 A 36 36 SER HA H 36 4.412 4.373 0.039 1 1 319 . 16 1 1 A 36 36 SER CB C 36 63.865 62.692 1.173 1 1 320 . 16 1 1 A 36 36 SER C C 36 175.009 174.772 0.237 1 1 322 . 16 1 1 A 37 37 GLY N N 37 110.718 110.824 -0.106 1 1 323 . 16 1 1 A 37 37 GLY H H 37 8.233 8.348 -0.115 1 1 324 . 16 1 1 A 37 37 GLY CA C 37 45.254 46.650 -1.396 1 1 325 . 16 1 1 A 37 37 GLY HA3 H 37 3.930 3.816 0.114 1 1 326 . 16 1 1 A 37 37 GLY C C 37 174.063 174.504 -0.441 1 1 327 . 16 1 1 A 37 37 GLY HA2 H 37 3.930 3.807 0.123 1 1 328 . 16 1 1 A 38 38 GLU N N 38 120.467 119.790 0.677 1 1 329 . 16 1 1 A 38 38 GLU H H 38 8.063 7.771 0.292 1 1 330 . 16 1 1 A 38 38 GLU CA C 38 56.324 56.712 -0.388 1 1 331 . 16 1 1 A 38 38 GLU HA H 38 4.202 4.292 -0.090 1 1 332 . 16 1 1 A 38 38 GLU CB C 38 30.407 30.117 0.290 1 1 336 . 16 1 1 A 38 38 GLU C C 38 176.234 175.861 0.373 1 1 339 . 16 1 1 A 39 39 LYS N N 39 123.848 126.709 -2.861 1 1 340 . 16 1 1 A 39 39 LYS H H 39 8.379 8.553 -0.174 1 1 341 . 16 1 1 A 39 39 LYS CA C 39 54.044 52.955 1.089 1 1 342 . 16 1 1 A 39 39 LYS HA H 39 4.553 4.781 -0.228 1 1 343 . 16 1 1 A 39 39 LYS CB C 39 32.409 33.877 -1.468 1 1 351 . 16 1 1 A 39 39 LYS C C 39 174.964 174.415 0.549 1 1 356 . 16 1 1 A 40 40 PRO CA C 40 63.191 62.311 0.880 1 1 357 . 16 1 1 A 40 40 PRO HA H 40 4.410 4.734 -0.324 1 1 358 . 16 1 1 A 40 40 PRO CB C 40 32.091 30.059 2.032 1 1 1 . 17 1 1 A 9 9 GLY CA C 9 45.245 44.915 0.330 1 1 2 . 17 1 1 A 9 9 GLY HA3 H 9 3.924 3.944 -0.020 1 1 3 . 17 1 1 A 9 9 GLY C C 9 174.036 173.069 0.967 1 1 4 . 17 1 1 A 9 9 GLY HA2 H 9 3.924 3.938 -0.014 1 1 5 . 17 1 1 A 10 10 GLU N N 10 120.696 123.252 -2.556 1 1 6 . 17 1 1 A 10 10 GLU H H 10 8.207 8.568 -0.361 1 1 7 . 17 1 1 A 10 10 GLU CA C 10 56.534 57.170 -0.636 1 1 8 . 17 1 1 A 10 10 GLU HA H 10 4.133 4.338 -0.205 1 1 9 . 17 1 1 A 10 10 GLU CB C 10 30.333 30.525 -0.192 1 1 13 . 17 1 1 A 10 10 GLU C C 10 175.895 175.907 -0.012 1 1 16 . 17 1 1 A 11 11 LYS N N 11 122.388 125.959 -3.571 1 1 17 . 17 1 1 A 11 11 LYS H H 11 8.194 8.272 -0.078 1 1 18 . 17 1 1 A 11 11 LYS CA C 11 53.829 53.316 0.513 1 1 19 . 17 1 1 A 11 11 LYS HA H 11 4.210 4.830 -0.620 1 1 20 . 17 1 1 A 11 11 LYS CB C 11 31.954 33.937 -1.983 1 1 28 . 17 1 1 A 11 11 LYS C C 11 174.474 176.345 -1.871 1 1 33 . 17 1 1 A 12 12 PRO CA C 12 64.016 64.498 -0.482 1 1 34 . 17 1 1 A 12 12 PRO HA H 12 4.100 4.396 -0.296 1 1 35 . 17 1 1 A 12 12 PRO CB C 12 32.091 32.245 -0.154 1 1 41 . 17 1 1 A 12 12 PRO C C 12 176.288 176.407 -0.119 1 1 45 . 17 1 1 A 13 13 PHE N N 13 117.244 117.077 0.167 1 1 46 . 17 1 1 A 13 13 PHE H H 13 7.539 7.782 -0.243 1 1 47 . 17 1 1 A 13 13 PHE CA C 13 57.505 56.418 1.087 1 1 48 . 17 1 1 A 13 13 PHE HA H 13 4.650 5.133 -0.483 1 1 49 . 17 1 1 A 13 13 PHE CB C 13 39.645 41.503 -1.858 1 1 61 . 17 1 1 A 13 13 PHE C C 13 174.436 174.929 -0.493 1 1 63 . 17 1 1 A 14 14 LYS N N 14 123.175 120.301 2.874 1 1 64 . 17 1 1 A 14 14 LYS H H 14 8.664 9.153 -0.489 1 1 65 . 17 1 1 A 14 14 LYS CA C 14 54.292 54.444 -0.152 1 1 66 . 17 1 1 A 14 14 LYS HA H 14 5.102 5.301 -0.199 1 1 67 . 17 1 1 A 14 14 LYS CB C 14 34.850 36.072 -1.222 1 1 75 . 17 1 1 A 14 14 LYS C C 14 176.027 175.041 0.986 1 1 80 . 17 1 1 A 15 15 CYS N N 15 126.518 121.034 5.484 1 1 81 . 17 1 1 A 15 15 CYS H H 15 9.121 8.808 0.313 1 1 82 . 17 1 1 A 15 15 CYS CA C 15 59.421 59.795 -0.374 1 1 83 . 17 1 1 A 15 15 CYS HA H 15 4.379 4.699 -0.320 1 1 84 . 17 1 1 A 15 15 CYS CB C 15 30.467 28.526 1.941 1 1 86 . 17 1 1 A 15 15 CYS C C 15 177.905 176.572 1.333 1 1 88 . 17 1 1 A 16 16 GLU N N 16 131.837 123.492 8.345 1 1 89 . 17 1 1 A 16 16 GLU H H 16 9.146 8.802 0.344 1 1 90 . 17 1 1 A 16 16 GLU CA C 16 58.767 58.058 0.709 1 1 91 . 17 1 1 A 16 16 GLU HA H 16 4.015 4.185 -0.170 1 1 92 . 17 1 1 A 16 16 GLU CB C 16 30.034 30.184 -0.150 1 1 96 . 17 1 1 A 16 16 GLU C C 16 176.586 178.567 -1.981 1 1 99 . 17 1 1 A 17 17 GLU N N 17 120.271 119.237 1.034 1 1 100 . 17 1 1 A 17 17 GLU H H 17 8.759 7.615 1.144 1 1 101 . 17 1 1 A 17 17 GLU CA C 17 58.156 58.664 -0.508 1 1 102 . 17 1 1 A 17 17 GLU HA H 17 4.187 3.981 0.206 1 1 103 . 17 1 1 A 17 17 GLU CB C 17 29.903 29.282 0.621 1 1 107 . 17 1 1 A 17 17 GLU C C 17 177.311 178.216 -0.905 1 1 110 . 17 1 1 A 18 18 CYS N N 18 115.586 114.755 0.831 1 1 111 . 17 1 1 A 18 18 CYS H H 18 8.194 7.790 0.404 1 1 112 . 17 1 1 A 18 18 CYS CA C 18 58.370 59.774 -1.404 1 1 113 . 17 1 1 A 18 18 CYS HA H 18 5.102 4.577 0.525 1 1 114 . 17 1 1 A 18 18 CYS CB C 18 32.475 29.150 3.325 1 1 116 . 17 1 1 A 18 18 CYS C C 18 176.599 175.232 1.367 1 1 118 . 17 1 1 A 19 19 GLY N N 19 113.385 109.905 3.480 1 1 119 . 17 1 1 A 19 19 GLY H H 19 8.078 7.956 0.122 1 1 120 . 17 1 1 A 19 19 GLY CA C 19 46.212 44.895 1.317 1 1 121 . 17 1 1 A 19 19 GLY HA3 H 19 4.170 4.059 0.111 1 1 122 . 17 1 1 A 19 19 GLY C C 19 173.387 174.420 -1.033 1 1 123 . 17 1 1 A 19 19 GLY HA2 H 19 3.725 4.046 -0.321 1 1 124 . 17 1 1 A 20 20 LYS N N 20 123.491 122.308 1.183 1 1 125 . 17 1 1 A 20 20 LYS H H 20 8.031 7.359 0.672 1 1 126 . 17 1 1 A 20 20 LYS CA C 20 58.327 56.532 1.795 1 1 127 . 17 1 1 A 20 20 LYS HA H 20 3.865 3.964 -0.099 1 1 128 . 17 1 1 A 20 20 LYS CB C 20 33.833 32.875 0.958 1 1 136 . 17 1 1 A 20 20 LYS C C 20 174.752 175.666 -0.914 1 1 141 . 17 1 1 A 21 21 GLY N N 21 108.772 111.137 -2.365 1 1 142 . 17 1 1 A 21 21 GLY H H 21 7.874 8.042 -0.168 1 1 143 . 17 1 1 A 21 21 GLY CA C 21 44.209 43.797 0.412 1 1 144 . 17 1 1 A 21 21 GLY HA3 H 21 4.844 3.952 0.892 1 1 145 . 17 1 1 A 21 21 GLY C C 21 172.496 172.161 0.335 1 1 146 . 17 1 1 A 21 21 GLY HA2 H 21 3.160 3.913 -0.753 1 1 147 . 17 1 1 A 22 22 PHE N N 22 117.732 121.012 -3.280 1 1 148 . 17 1 1 A 22 22 PHE H H 22 8.744 8.300 0.444 1 1 149 . 17 1 1 A 22 22 PHE CA C 22 57.105 56.454 0.651 1 1 150 . 17 1 1 A 22 22 PHE HA H 22 4.459 4.823 -0.364 1 1 151 . 17 1 1 A 22 22 PHE CB C 22 44.303 44.049 0.254 1 1 163 . 17 1 1 A 22 22 PHE C C 22 175.019 174.616 0.403 1 1 165 . 17 1 1 A 23 23 TYR N N 23 117.772 120.301 -2.529 1 1 166 . 17 1 1 A 23 23 TYR H H 23 8.874 8.691 0.183 1 1 167 . 17 1 1 A 23 23 TYR CA C 23 61.344 58.883 2.461 1 1 168 . 17 1 1 A 23 23 TYR HA H 23 4.596 4.889 -0.293 1 1 169 . 17 1 1 A 23 23 TYR CB C 23 39.493 40.818 -1.325 1 1 179 . 17 1 1 A 23 23 TYR C C 23 176.259 175.657 0.602 1 1 181 . 17 1 1 A 24 24 THR N N 24 104.091 110.193 -6.102 1 1 182 . 17 1 1 A 24 24 THR H H 24 7.364 7.552 -0.188 1 1 183 . 17 1 1 A 24 24 THR CA C 24 58.807 59.107 -0.300 1 1 184 . 17 1 1 A 24 24 THR HA H 24 4.697 4.335 0.362 1 1 185 . 17 1 1 A 24 24 THR CB C 24 72.491 71.806 0.685 1 1 191 . 17 1 1 A 24 24 THR C C 24 173.941 174.600 -0.659 1 1 192 . 17 1 1 A 25 25 ASN N N 25 121.743 121.566 0.177 1 1 193 . 17 1 1 A 25 25 ASN H H 25 8.167 8.703 -0.536 1 1 194 . 17 1 1 A 25 25 ASN CA C 25 55.394 56.789 -1.395 1 1 195 . 17 1 1 A 25 25 ASN HA H 25 3.488 4.318 -0.830 1 1 196 . 17 1 1 A 25 25 ASN CB C 25 37.914 38.759 -0.845 1 1 201 . 17 1 1 A 25 25 ASN C C 25 177.445 176.996 0.449 1 1 203 . 17 1 1 A 26 26 SER CA C 26 61.273 61.431 -0.158 1 1 204 . 17 1 1 A 26 26 SER HA H 26 4.001 4.171 -0.170 1 1 205 . 17 1 1 A 26 26 SER CB C 26 62.053 62.435 -0.382 1 1 207 . 17 1 1 A 26 26 SER C C 26 177.544 176.998 0.546 1 1 209 . 17 1 1 A 27 27 GLN N N 27 121.070 121.033 0.037 1 1 210 . 17 1 1 A 27 27 GLN H H 27 7.488 7.638 -0.150 1 1 211 . 17 1 1 A 27 27 GLN CA C 27 58.360 58.403 -0.043 1 1 212 . 17 1 1 A 27 27 GLN HA H 27 3.904 3.928 -0.024 1 1 213 . 17 1 1 A 27 27 GLN CB C 27 28.821 28.623 0.198 1 1 220 . 17 1 1 A 27 27 GLN C C 27 178.094 177.776 0.318 1 1 223 . 17 1 1 A 28 28 CYS N N 28 120.697 118.527 2.170 1 1 224 . 17 1 1 A 28 28 CYS H H 28 7.220 7.787 -0.567 1 1 225 . 17 1 1 A 28 28 CYS CA C 28 61.758 62.548 -0.790 1 1 226 . 17 1 1 A 28 28 CYS HA H 28 2.831 2.751 0.080 1 1 227 . 17 1 1 A 28 28 CYS CB C 28 26.350 26.855 -0.505 1 1 229 . 17 1 1 A 28 28 CYS C C 28 175.755 176.856 -1.101 1 1 231 . 17 1 1 A 29 29 TYR N N 29 119.853 122.231 -2.378 1 1 232 . 17 1 1 A 29 29 TYR H H 29 8.676 7.926 0.750 1 1 233 . 17 1 1 A 29 29 TYR CA C 29 61.209 61.526 -0.317 1 1 234 . 17 1 1 A 29 29 TYR HA H 29 4.190 4.105 0.085 1 1 235 . 17 1 1 A 29 29 TYR CB C 29 37.680 38.688 -1.008 1 1 245 . 17 1 1 A 29 29 TYR C C 29 178.450 177.294 1.156 1 1 247 . 17 1 1 A 30 30 SER N N 30 113.870 114.024 -0.154 1 1 248 . 17 1 1 A 30 30 SER H H 30 7.941 8.167 -0.226 1 1 249 . 17 1 1 A 30 30 SER CA C 30 61.619 61.798 -0.179 1 1 250 . 17 1 1 A 30 30 SER HA H 30 3.929 4.317 -0.388 1 1 251 . 17 1 1 A 30 30 SER CB C 30 62.511 62.397 0.114 1 1 253 . 17 1 1 A 30 30 SER C C 30 177.338 176.714 0.624 1 1 255 . 17 1 1 A 31 31 HIS N N 31 120.082 121.389 -1.307 1 1 256 . 17 1 1 A 31 31 HIS H H 31 7.472 7.273 0.199 1 1 257 . 17 1 1 A 31 31 HIS CA C 31 59.031 59.242 -0.211 1 1 258 . 17 1 1 A 31 31 HIS HA H 31 4.166 4.281 -0.115 1 1 259 . 17 1 1 A 31 31 HIS CB C 31 27.883 30.224 -2.341 1 1 265 . 17 1 1 A 31 31 HIS C C 31 177.933 177.133 0.800 1 1 267 . 17 1 1 A 32 32 GLN N N 32 122.469 117.834 4.635 1 1 268 . 17 1 1 A 32 32 GLN H H 32 8.922 8.333 0.589 1 1 269 . 17 1 1 A 32 32 GLN CA C 32 59.712 59.471 0.241 1 1 270 . 17 1 1 A 32 32 GLN HA H 32 3.803 3.972 -0.169 1 1 271 . 17 1 1 A 32 32 GLN CB C 32 28.541 28.166 0.375 1 1 278 . 17 1 1 A 32 32 GLN C C 32 178.714 178.033 0.681 1 1 281 . 17 1 1 A 33 33 ARG N N 33 117.875 118.222 -0.347 1 1 282 . 17 1 1 A 33 33 ARG H H 33 7.460 8.164 -0.704 1 1 283 . 17 1 1 A 33 33 ARG CA C 33 58.084 58.690 -0.606 1 1 284 . 17 1 1 A 33 33 ARG HA H 33 3.987 4.055 -0.068 1 1 285 . 17 1 1 A 33 33 ARG CB C 33 29.643 30.284 -0.641 1 1 291 . 17 1 1 A 33 33 ARG C C 33 177.881 178.108 -0.227 1 1 295 . 17 1 1 A 34 34 SER N N 34 114.760 114.441 0.319 1 1 296 . 17 1 1 A 34 34 SER H H 34 7.661 8.039 -0.378 1 1 297 . 17 1 1 A 34 34 SER CA C 34 60.528 61.784 -1.256 1 1 298 . 17 1 1 A 34 34 SER HA H 34 4.157 4.061 0.096 1 1 299 . 17 1 1 A 34 34 SER CB C 34 63.155 62.725 0.430 1 1 301 . 17 1 1 A 34 34 SER C C 34 175.370 174.986 0.384 1 1 303 . 17 1 1 A 35 35 HIS N N 35 119.408 118.701 0.707 1 1 304 . 17 1 1 A 35 35 HIS H H 35 7.149 7.366 -0.217 1 1 305 . 17 1 1 A 35 35 HIS CA C 35 56.612 57.023 -0.411 1 1 306 . 17 1 1 A 35 35 HIS HA H 35 4.591 4.382 0.209 1 1 307 . 17 1 1 A 35 35 HIS CB C 35 28.543 30.609 -2.066 1 1 313 . 17 1 1 A 35 35 HIS C C 35 175.587 175.344 0.243 1 1 315 . 17 1 1 A 36 36 SER N N 36 114.717 117.379 -2.662 1 1 316 . 17 1 1 A 36 36 SER H H 36 7.831 8.660 -0.829 1 1 317 . 17 1 1 A 36 36 SER CA C 36 58.643 57.202 1.441 1 1 318 . 17 1 1 A 36 36 SER HA H 36 4.412 5.006 -0.594 1 1 319 . 17 1 1 A 36 36 SER CB C 36 63.865 66.886 -3.021 1 1 320 . 17 1 1 A 36 36 SER C C 36 175.009 174.653 0.356 1 1 322 . 17 1 1 A 37 37 GLY N N 37 110.718 111.428 -0.710 1 1 323 . 17 1 1 A 37 37 GLY H H 37 8.233 8.636 -0.403 1 1 324 . 17 1 1 A 37 37 GLY CA C 37 45.254 47.165 -1.911 1 1 325 . 17 1 1 A 37 37 GLY HA3 H 37 3.930 3.885 0.045 1 1 326 . 17 1 1 A 37 37 GLY C C 37 174.063 173.738 0.325 1 1 327 . 17 1 1 A 37 37 GLY HA2 H 37 3.930 3.882 0.048 1 1 328 . 17 1 1 A 38 38 GLU N N 38 120.467 121.647 -1.180 1 1 329 . 17 1 1 A 38 38 GLU H H 38 8.063 8.328 -0.265 1 1 330 . 17 1 1 A 38 38 GLU CA C 38 56.324 54.816 1.508 1 1 331 . 17 1 1 A 38 38 GLU HA H 38 4.202 5.039 -0.837 1 1 332 . 17 1 1 A 38 38 GLU CB C 38 30.407 32.820 -2.413 1 1 336 . 17 1 1 A 38 38 GLU C C 38 176.234 175.510 0.724 1 1 339 . 17 1 1 A 39 39 LYS N N 39 123.848 119.926 3.922 1 1 340 . 17 1 1 A 39 39 LYS H H 39 8.379 8.287 0.092 1 1 341 . 17 1 1 A 39 39 LYS CA C 39 54.044 55.348 -1.304 1 1 342 . 17 1 1 A 39 39 LYS HA H 39 4.553 4.310 0.243 1 1 343 . 17 1 1 A 39 39 LYS CB C 39 32.409 32.430 -0.021 1 1 351 . 17 1 1 A 39 39 LYS C C 39 174.964 176.022 -1.058 1 1 356 . 17 1 1 A 40 40 PRO CA C 40 63.191 62.662 0.529 1 1 357 . 17 1 1 A 40 40 PRO HA H 40 4.410 4.580 -0.170 1 1 358 . 17 1 1 A 40 40 PRO CB C 40 32.091 32.918 -0.827 1 1 1 . 18 1 1 A 9 9 GLY CA C 9 45.245 46.893 -1.648 1 1 2 . 18 1 1 A 9 9 GLY HA3 H 9 3.924 3.835 0.089 1 1 3 . 18 1 1 A 9 9 GLY C C 9 174.036 174.396 -0.360 1 1 4 . 18 1 1 A 9 9 GLY HA2 H 9 3.924 3.824 0.100 1 1 5 . 18 1 1 A 10 10 GLU N N 10 120.696 121.262 -0.566 1 1 6 . 18 1 1 A 10 10 GLU H H 10 8.207 7.912 0.295 1 1 7 . 18 1 1 A 10 10 GLU CA C 10 56.534 56.270 0.264 1 1 8 . 18 1 1 A 10 10 GLU HA H 10 4.133 4.428 -0.295 1 1 9 . 18 1 1 A 10 10 GLU CB C 10 30.333 31.286 -0.953 1 1 13 . 18 1 1 A 10 10 GLU C C 10 175.895 175.749 0.146 1 1 16 . 18 1 1 A 11 11 LYS N N 11 122.388 124.657 -2.269 1 1 17 . 18 1 1 A 11 11 LYS H H 11 8.194 8.389 -0.195 1 1 18 . 18 1 1 A 11 11 LYS CA C 11 53.829 53.322 0.507 1 1 19 . 18 1 1 A 11 11 LYS HA H 11 4.210 4.787 -0.577 1 1 20 . 18 1 1 A 11 11 LYS CB C 11 31.954 33.980 -2.026 1 1 28 . 18 1 1 A 11 11 LYS C C 11 174.474 176.341 -1.867 1 1 33 . 18 1 1 A 12 12 PRO CA C 12 64.016 64.381 -0.365 1 1 34 . 18 1 1 A 12 12 PRO HA H 12 4.100 4.357 -0.257 1 1 35 . 18 1 1 A 12 12 PRO CB C 12 32.091 32.230 -0.139 1 1 41 . 18 1 1 A 12 12 PRO C C 12 176.288 176.324 -0.036 1 1 45 . 18 1 1 A 13 13 PHE N N 13 117.244 117.050 0.194 1 1 46 . 18 1 1 A 13 13 PHE H H 13 7.539 7.763 -0.224 1 1 47 . 18 1 1 A 13 13 PHE CA C 13 57.505 56.424 1.081 1 1 48 . 18 1 1 A 13 13 PHE HA H 13 4.650 5.114 -0.464 1 1 49 . 18 1 1 A 13 13 PHE CB C 13 39.645 42.154 -2.509 1 1 61 . 18 1 1 A 13 13 PHE C C 13 174.436 174.851 -0.415 1 1 63 . 18 1 1 A 14 14 LYS N N 14 123.175 120.407 2.768 1 1 64 . 18 1 1 A 14 14 LYS H H 14 8.664 9.181 -0.517 1 1 65 . 18 1 1 A 14 14 LYS CA C 14 54.292 54.427 -0.135 1 1 66 . 18 1 1 A 14 14 LYS HA H 14 5.102 5.228 -0.126 1 1 67 . 18 1 1 A 14 14 LYS CB C 14 34.850 36.068 -1.218 1 1 75 . 18 1 1 A 14 14 LYS C C 14 176.027 175.071 0.956 1 1 80 . 18 1 1 A 15 15 CYS N N 15 126.518 120.999 5.519 1 1 81 . 18 1 1 A 15 15 CYS H H 15 9.121 8.708 0.413 1 1 82 . 18 1 1 A 15 15 CYS CA C 15 59.421 59.765 -0.344 1 1 83 . 18 1 1 A 15 15 CYS HA H 15 4.379 4.770 -0.391 1 1 84 . 18 1 1 A 15 15 CYS CB C 15 30.467 28.506 1.961 1 1 86 . 18 1 1 A 15 15 CYS C C 15 177.905 176.675 1.230 1 1 88 . 18 1 1 A 16 16 GLU N N 16 131.837 123.913 7.924 1 1 89 . 18 1 1 A 16 16 GLU H H 16 9.146 8.875 0.271 1 1 90 . 18 1 1 A 16 16 GLU CA C 16 58.767 58.123 0.644 1 1 91 . 18 1 1 A 16 16 GLU HA H 16 4.015 4.222 -0.207 1 1 92 . 18 1 1 A 16 16 GLU CB C 16 30.034 30.244 -0.210 1 1 96 . 18 1 1 A 16 16 GLU C C 16 176.586 178.607 -2.021 1 1 99 . 18 1 1 A 17 17 GLU N N 17 120.271 119.311 0.960 1 1 100 . 18 1 1 A 17 17 GLU H H 17 8.759 7.656 1.103 1 1 101 . 18 1 1 A 17 17 GLU CA C 17 58.156 58.654 -0.498 1 1 102 . 18 1 1 A 17 17 GLU HA H 17 4.187 3.973 0.214 1 1 103 . 18 1 1 A 17 17 GLU CB C 17 29.903 29.246 0.657 1 1 107 . 18 1 1 A 17 17 GLU C C 17 177.311 178.181 -0.870 1 1 110 . 18 1 1 A 18 18 CYS N N 18 115.586 114.820 0.766 1 1 111 . 18 1 1 A 18 18 CYS H H 18 8.194 7.906 0.288 1 1 112 . 18 1 1 A 18 18 CYS CA C 18 58.370 59.781 -1.411 1 1 113 . 18 1 1 A 18 18 CYS HA H 18 5.102 4.597 0.505 1 1 114 . 18 1 1 A 18 18 CYS CB C 18 32.475 29.235 3.240 1 1 116 . 18 1 1 A 18 18 CYS C C 18 176.599 175.256 1.343 1 1 118 . 18 1 1 A 19 19 GLY N N 19 113.385 109.930 3.455 1 1 119 . 18 1 1 A 19 19 GLY H H 19 8.078 7.990 0.088 1 1 120 . 18 1 1 A 19 19 GLY CA C 19 46.212 44.908 1.304 1 1 121 . 18 1 1 A 19 19 GLY HA3 H 19 4.170 4.075 0.095 1 1 122 . 18 1 1 A 19 19 GLY C C 19 173.387 174.418 -1.031 1 1 123 . 18 1 1 A 19 19 GLY HA2 H 19 3.725 4.056 -0.331 1 1 124 . 18 1 1 A 20 20 LYS N N 20 123.491 122.291 1.200 1 1 125 . 18 1 1 A 20 20 LYS H H 20 8.031 7.355 0.676 1 1 126 . 18 1 1 A 20 20 LYS CA C 20 58.327 56.567 1.760 1 1 127 . 18 1 1 A 20 20 LYS HA H 20 3.865 3.958 -0.093 1 1 128 . 18 1 1 A 20 20 LYS CB C 20 33.833 32.849 0.984 1 1 136 . 18 1 1 A 20 20 LYS C C 20 174.752 175.581 -0.829 1 1 141 . 18 1 1 A 21 21 GLY N N 21 108.772 110.810 -2.038 1 1 142 . 18 1 1 A 21 21 GLY H H 21 7.874 7.942 -0.068 1 1 143 . 18 1 1 A 21 21 GLY CA C 21 44.209 43.704 0.505 1 1 144 . 18 1 1 A 21 21 GLY HA3 H 21 4.844 3.900 0.944 1 1 145 . 18 1 1 A 21 21 GLY C C 21 172.496 172.073 0.423 1 1 146 . 18 1 1 A 21 21 GLY HA2 H 21 3.160 3.900 -0.740 1 1 147 . 18 1 1 A 22 22 PHE N N 22 117.732 121.631 -3.899 1 1 148 . 18 1 1 A 22 22 PHE H H 22 8.744 8.308 0.436 1 1 149 . 18 1 1 A 22 22 PHE CA C 22 57.105 56.381 0.724 1 1 150 . 18 1 1 A 22 22 PHE HA H 22 4.459 4.815 -0.356 1 1 151 . 18 1 1 A 22 22 PHE CB C 22 44.303 43.905 0.398 1 1 163 . 18 1 1 A 22 22 PHE C C 22 175.019 174.655 0.364 1 1 165 . 18 1 1 A 23 23 TYR N N 23 117.772 120.424 -2.652 1 1 166 . 18 1 1 A 23 23 TYR H H 23 8.874 8.717 0.157 1 1 167 . 18 1 1 A 23 23 TYR CA C 23 61.344 58.988 2.356 1 1 168 . 18 1 1 A 23 23 TYR HA H 23 4.596 4.867 -0.271 1 1 169 . 18 1 1 A 23 23 TYR CB C 23 39.493 40.897 -1.404 1 1 179 . 18 1 1 A 23 23 TYR C C 23 176.259 175.557 0.702 1 1 181 . 18 1 1 A 24 24 THR N N 24 104.091 110.949 -6.858 1 1 182 . 18 1 1 A 24 24 THR H H 24 7.364 7.723 -0.359 1 1 183 . 18 1 1 A 24 24 THR CA C 24 58.807 59.541 -0.734 1 1 184 . 18 1 1 A 24 24 THR HA H 24 4.697 4.387 0.310 1 1 185 . 18 1 1 A 24 24 THR CB C 24 72.491 70.831 1.660 1 1 191 . 18 1 1 A 24 24 THR C C 24 173.941 174.619 -0.678 1 1 192 . 18 1 1 A 25 25 ASN N N 25 121.743 121.914 -0.171 1 1 193 . 18 1 1 A 25 25 ASN H H 25 8.167 8.501 -0.334 1 1 194 . 18 1 1 A 25 25 ASN CA C 25 55.394 56.724 -1.330 1 1 195 . 18 1 1 A 25 25 ASN HA H 25 3.488 4.131 -0.643 1 1 196 . 18 1 1 A 25 25 ASN CB C 25 37.914 38.507 -0.593 1 1 201 . 18 1 1 A 25 25 ASN C C 25 177.445 177.006 0.439 1 1 203 . 18 1 1 A 26 26 SER CA C 26 61.273 62.005 -0.732 1 1 204 . 18 1 1 A 26 26 SER HA H 26 4.001 4.085 -0.084 1 1 205 . 18 1 1 A 26 26 SER CB C 26 62.053 62.517 -0.464 1 1 207 . 18 1 1 A 26 26 SER C C 26 177.544 176.861 0.683 1 1 209 . 18 1 1 A 27 27 GLN N N 27 121.070 120.560 0.510 1 1 210 . 18 1 1 A 27 27 GLN H H 27 7.488 7.642 -0.154 1 1 211 . 18 1 1 A 27 27 GLN CA C 27 58.360 58.758 -0.398 1 1 212 . 18 1 1 A 27 27 GLN HA H 27 3.904 3.909 -0.005 1 1 213 . 18 1 1 A 27 27 GLN CB C 27 28.821 28.303 0.518 1 1 220 . 18 1 1 A 27 27 GLN C C 27 178.094 178.200 -0.106 1 1 223 . 18 1 1 A 28 28 CYS N N 28 120.697 118.756 1.941 1 1 224 . 18 1 1 A 28 28 CYS H H 28 7.220 7.639 -0.419 1 1 225 . 18 1 1 A 28 28 CYS CA C 28 61.758 62.486 -0.728 1 1 226 . 18 1 1 A 28 28 CYS HA H 28 2.831 2.672 0.159 1 1 227 . 18 1 1 A 28 28 CYS CB C 28 26.350 26.508 -0.158 1 1 229 . 18 1 1 A 28 28 CYS C C 28 175.755 176.691 -0.936 1 1 231 . 18 1 1 A 29 29 TYR N N 29 119.853 122.103 -2.250 1 1 232 . 18 1 1 A 29 29 TYR H H 29 8.676 8.215 0.461 1 1 233 . 18 1 1 A 29 29 TYR CA C 29 61.209 61.693 -0.484 1 1 234 . 18 1 1 A 29 29 TYR HA H 29 4.190 4.074 0.116 1 1 235 . 18 1 1 A 29 29 TYR CB C 29 37.680 38.635 -0.955 1 1 245 . 18 1 1 A 29 29 TYR C C 29 178.450 177.333 1.117 1 1 247 . 18 1 1 A 30 30 SER N N 30 113.870 113.426 0.444 1 1 248 . 18 1 1 A 30 30 SER H H 30 7.941 8.547 -0.606 1 1 249 . 18 1 1 A 30 30 SER CA C 30 61.619 61.565 0.054 1 1 250 . 18 1 1 A 30 30 SER HA H 30 3.929 4.217 -0.288 1 1 251 . 18 1 1 A 30 30 SER CB C 30 62.511 62.375 0.136 1 1 253 . 18 1 1 A 30 30 SER C C 30 177.338 176.792 0.546 1 1 255 . 18 1 1 A 31 31 HIS N N 31 120.082 121.193 -1.111 1 1 256 . 18 1 1 A 31 31 HIS H H 31 7.472 6.946 0.526 1 1 257 . 18 1 1 A 31 31 HIS CA C 31 59.031 59.462 -0.431 1 1 258 . 18 1 1 A 31 31 HIS HA H 31 4.166 4.199 -0.033 1 1 259 . 18 1 1 A 31 31 HIS CB C 31 27.883 29.947 -2.064 1 1 265 . 18 1 1 A 31 31 HIS C C 31 177.933 177.047 0.886 1 1 267 . 18 1 1 A 32 32 GLN N N 32 122.469 118.319 4.150 1 1 268 . 18 1 1 A 32 32 GLN H H 32 8.922 8.055 0.867 1 1 269 . 18 1 1 A 32 32 GLN CA C 32 59.712 59.191 0.521 1 1 270 . 18 1 1 A 32 32 GLN HA H 32 3.803 3.958 -0.155 1 1 271 . 18 1 1 A 32 32 GLN CB C 32 28.541 28.312 0.229 1 1 278 . 18 1 1 A 32 32 GLN C C 32 178.714 178.306 0.408 1 1 281 . 18 1 1 A 33 33 ARG N N 33 117.875 119.597 -1.722 1 1 282 . 18 1 1 A 33 33 ARG H H 33 7.460 7.676 -0.216 1 1 283 . 18 1 1 A 33 33 ARG CA C 33 58.084 59.126 -1.042 1 1 284 . 18 1 1 A 33 33 ARG HA H 33 3.987 3.889 0.098 1 1 285 . 18 1 1 A 33 33 ARG CB C 33 29.643 29.804 -0.161 1 1 291 . 18 1 1 A 33 33 ARG C C 33 177.881 178.467 -0.586 1 1 295 . 18 1 1 A 34 34 SER N N 34 114.760 115.408 -0.648 1 1 296 . 18 1 1 A 34 34 SER H H 34 7.661 7.731 -0.070 1 1 297 . 18 1 1 A 34 34 SER CA C 34 60.528 61.738 -1.210 1 1 298 . 18 1 1 A 34 34 SER HA H 34 4.157 3.988 0.169 1 1 299 . 18 1 1 A 34 34 SER CB C 34 63.155 62.761 0.394 1 1 301 . 18 1 1 A 34 34 SER C C 34 175.370 174.950 0.420 1 1 303 . 18 1 1 A 35 35 HIS N N 35 119.408 118.618 0.790 1 1 304 . 18 1 1 A 35 35 HIS H H 35 7.149 7.091 0.058 1 1 305 . 18 1 1 A 35 35 HIS CA C 35 56.612 57.547 -0.935 1 1 306 . 18 1 1 A 35 35 HIS HA H 35 4.591 4.311 0.280 1 1 307 . 18 1 1 A 35 35 HIS CB C 35 28.543 30.053 -1.510 1 1 313 . 18 1 1 A 35 35 HIS C C 35 175.587 175.263 0.324 1 1 315 . 18 1 1 A 36 36 SER N N 36 114.717 122.279 -7.562 1 1 316 . 18 1 1 A 36 36 SER H H 36 7.831 9.046 -1.215 1 1 317 . 18 1 1 A 36 36 SER CA C 36 58.643 57.619 1.024 1 1 318 . 18 1 1 A 36 36 SER HA H 36 4.412 4.849 -0.437 1 1 319 . 18 1 1 A 36 36 SER CB C 36 63.865 64.128 -0.263 1 1 320 . 18 1 1 A 36 36 SER C C 36 175.009 173.908 1.101 1 1 322 . 18 1 1 A 37 37 GLY N N 37 110.718 114.361 -3.643 1 1 323 . 18 1 1 A 37 37 GLY H H 37 8.233 9.234 -1.001 1 1 324 . 18 1 1 A 37 37 GLY CA C 37 45.254 44.778 0.476 1 1 325 . 18 1 1 A 37 37 GLY HA3 H 37 3.930 4.183 -0.253 1 1 326 . 18 1 1 A 37 37 GLY C C 37 174.063 172.718 1.345 1 1 327 . 18 1 1 A 37 37 GLY HA2 H 37 3.930 4.176 -0.246 1 1 328 . 18 1 1 A 38 38 GLU N N 38 120.467 120.997 -0.530 1 1 329 . 18 1 1 A 38 38 GLU H H 38 8.063 8.612 -0.549 1 1 330 . 18 1 1 A 38 38 GLU CA C 38 56.324 56.091 0.233 1 1 331 . 18 1 1 A 38 38 GLU HA H 38 4.202 4.537 -0.335 1 1 332 . 18 1 1 A 38 38 GLU CB C 38 30.407 29.291 1.116 1 1 336 . 18 1 1 A 38 38 GLU C C 38 176.234 175.320 0.914 1 1 339 . 18 1 1 A 39 39 LYS N N 39 123.848 126.181 -2.333 1 1 340 . 18 1 1 A 39 39 LYS H H 39 8.379 8.347 0.032 1 1 341 . 18 1 1 A 39 39 LYS CA C 39 54.044 52.982 1.062 1 1 342 . 18 1 1 A 39 39 LYS HA H 39 4.553 4.715 -0.162 1 1 343 . 18 1 1 A 39 39 LYS CB C 39 32.409 32.404 0.005 1 1 351 . 18 1 1 A 39 39 LYS C C 39 174.964 176.480 -1.516 1 1 356 . 18 1 1 A 40 40 PRO CA C 40 63.191 64.883 -1.692 1 1 357 . 18 1 1 A 40 40 PRO HA H 40 4.410 4.456 -0.046 1 1 358 . 18 1 1 A 40 40 PRO CB C 40 32.091 32.074 0.017 1 1 1 . 19 1 1 A 9 9 GLY CA C 9 45.245 45.185 0.060 1 1 2 . 19 1 1 A 9 9 GLY HA3 H 9 3.924 3.946 -0.022 1 1 3 . 19 1 1 A 9 9 GLY C C 9 174.036 173.766 0.270 1 1 4 . 19 1 1 A 9 9 GLY HA2 H 9 3.924 3.941 -0.017 1 1 5 . 19 1 1 A 10 10 GLU N N 10 120.696 118.119 2.577 1 1 6 . 19 1 1 A 10 10 GLU H H 10 8.207 8.075 0.132 1 1 7 . 19 1 1 A 10 10 GLU CA C 10 56.534 54.279 2.255 1 1 8 . 19 1 1 A 10 10 GLU HA H 10 4.133 4.870 -0.737 1 1 9 . 19 1 1 A 10 10 GLU CB C 10 30.333 31.395 -1.062 1 1 13 . 19 1 1 A 10 10 GLU C C 10 175.895 174.635 1.260 1 1 16 . 19 1 1 A 11 11 LYS N N 11 122.388 118.784 3.604 1 1 17 . 19 1 1 A 11 11 LYS H H 11 8.194 8.531 -0.337 1 1 18 . 19 1 1 A 11 11 LYS CA C 11 53.829 53.288 0.541 1 1 19 . 19 1 1 A 11 11 LYS HA H 11 4.210 4.759 -0.549 1 1 20 . 19 1 1 A 11 11 LYS CB C 11 31.954 33.298 -1.344 1 1 28 . 19 1 1 A 11 11 LYS C C 11 174.474 176.349 -1.875 1 1 33 . 19 1 1 A 12 12 PRO CA C 12 64.016 64.335 -0.319 1 1 34 . 19 1 1 A 12 12 PRO HA H 12 4.100 4.249 -0.149 1 1 35 . 19 1 1 A 12 12 PRO CB C 12 32.091 32.049 0.042 1 1 41 . 19 1 1 A 12 12 PRO C C 12 176.288 176.194 0.094 1 1 45 . 19 1 1 A 13 13 PHE N N 13 117.244 117.014 0.230 1 1 46 . 19 1 1 A 13 13 PHE H H 13 7.539 7.239 0.300 1 1 47 . 19 1 1 A 13 13 PHE CA C 13 57.505 56.622 0.883 1 1 48 . 19 1 1 A 13 13 PHE HA H 13 4.650 5.111 -0.461 1 1 49 . 19 1 1 A 13 13 PHE CB C 13 39.645 42.154 -2.509 1 1 61 . 19 1 1 A 13 13 PHE C C 13 174.436 174.898 -0.462 1 1 63 . 19 1 1 A 14 14 LYS N N 14 123.175 120.422 2.753 1 1 64 . 19 1 1 A 14 14 LYS H H 14 8.664 9.178 -0.514 1 1 65 . 19 1 1 A 14 14 LYS CA C 14 54.292 54.517 -0.225 1 1 66 . 19 1 1 A 14 14 LYS HA H 14 5.102 5.265 -0.163 1 1 67 . 19 1 1 A 14 14 LYS CB C 14 34.850 36.230 -1.380 1 1 75 . 19 1 1 A 14 14 LYS C C 14 176.027 175.044 0.983 1 1 80 . 19 1 1 A 15 15 CYS N N 15 126.518 121.016 5.502 1 1 81 . 19 1 1 A 15 15 CYS H H 15 9.121 8.679 0.442 1 1 82 . 19 1 1 A 15 15 CYS CA C 15 59.421 60.111 -0.690 1 1 83 . 19 1 1 A 15 15 CYS HA H 15 4.379 4.726 -0.347 1 1 84 . 19 1 1 A 15 15 CYS CB C 15 30.467 28.727 1.740 1 1 86 . 19 1 1 A 15 15 CYS C C 15 177.905 176.561 1.344 1 1 88 . 19 1 1 A 16 16 GLU N N 16 131.837 124.001 7.836 1 1 89 . 19 1 1 A 16 16 GLU H H 16 9.146 8.926 0.220 1 1 90 . 19 1 1 A 16 16 GLU CA C 16 58.767 58.005 0.762 1 1 91 . 19 1 1 A 16 16 GLU HA H 16 4.015 4.194 -0.179 1 1 92 . 19 1 1 A 16 16 GLU CB C 16 30.034 30.271 -0.237 1 1 96 . 19 1 1 A 16 16 GLU C C 16 176.586 178.401 -1.815 1 1 99 . 19 1 1 A 17 17 GLU N N 17 120.271 119.248 1.023 1 1 100 . 19 1 1 A 17 17 GLU H H 17 8.759 7.554 1.205 1 1 101 . 19 1 1 A 17 17 GLU CA C 17 58.156 58.879 -0.723 1 1 102 . 19 1 1 A 17 17 GLU HA H 17 4.187 3.996 0.191 1 1 103 . 19 1 1 A 17 17 GLU CB C 17 29.903 29.336 0.567 1 1 107 . 19 1 1 A 17 17 GLU C C 17 177.311 178.194 -0.883 1 1 110 . 19 1 1 A 18 18 CYS N N 18 115.586 114.924 0.662 1 1 111 . 19 1 1 A 18 18 CYS H H 18 8.194 7.964 0.230 1 1 112 . 19 1 1 A 18 18 CYS CA C 18 58.370 59.805 -1.435 1 1 113 . 19 1 1 A 18 18 CYS HA H 18 5.102 4.594 0.508 1 1 114 . 19 1 1 A 18 18 CYS CB C 18 32.475 29.188 3.287 1 1 116 . 19 1 1 A 18 18 CYS C C 18 176.599 175.248 1.351 1 1 118 . 19 1 1 A 19 19 GLY N N 19 113.385 109.921 3.464 1 1 119 . 19 1 1 A 19 19 GLY H H 19 8.078 7.978 0.100 1 1 120 . 19 1 1 A 19 19 GLY CA C 19 46.212 44.885 1.327 1 1 121 . 19 1 1 A 19 19 GLY HA3 H 19 4.170 4.072 0.098 1 1 122 . 19 1 1 A 19 19 GLY C C 19 173.387 174.409 -1.022 1 1 123 . 19 1 1 A 19 19 GLY HA2 H 19 3.725 4.055 -0.330 1 1 124 . 19 1 1 A 20 20 LYS N N 20 123.491 122.310 1.181 1 1 125 . 19 1 1 A 20 20 LYS H H 20 8.031 7.401 0.630 1 1 126 . 19 1 1 A 20 20 LYS CA C 20 58.327 56.756 1.571 1 1 127 . 19 1 1 A 20 20 LYS HA H 20 3.865 3.976 -0.111 1 1 128 . 19 1 1 A 20 20 LYS CB C 20 33.833 32.871 0.962 1 1 136 . 19 1 1 A 20 20 LYS C C 20 174.752 175.574 -0.822 1 1 141 . 19 1 1 A 21 21 GLY N N 21 108.772 110.774 -2.002 1 1 142 . 19 1 1 A 21 21 GLY H H 21 7.874 8.067 -0.193 1 1 143 . 19 1 1 A 21 21 GLY CA C 21 44.209 43.819 0.390 1 1 144 . 19 1 1 A 21 21 GLY HA3 H 21 4.844 4.034 0.810 1 1 145 . 19 1 1 A 21 21 GLY C C 21 172.496 172.296 0.200 1 1 146 . 19 1 1 A 21 21 GLY HA2 H 21 3.160 4.017 -0.857 1 1 147 . 19 1 1 A 22 22 PHE N N 22 117.732 121.669 -3.937 1 1 148 . 19 1 1 A 22 22 PHE H H 22 8.744 8.544 0.200 1 1 149 . 19 1 1 A 22 22 PHE CA C 22 57.105 56.821 0.284 1 1 150 . 19 1 1 A 22 22 PHE HA H 22 4.459 5.183 -0.724 1 1 151 . 19 1 1 A 22 22 PHE CB C 22 44.303 44.024 0.279 1 1 163 . 19 1 1 A 22 22 PHE C C 22 175.019 175.200 -0.181 1 1 165 . 19 1 1 A 23 23 TYR N N 23 117.772 120.187 -2.415 1 1 166 . 19 1 1 A 23 23 TYR H H 23 8.874 8.995 -0.121 1 1 167 . 19 1 1 A 23 23 TYR CA C 23 61.344 58.967 2.377 1 1 168 . 19 1 1 A 23 23 TYR HA H 23 4.596 4.935 -0.339 1 1 169 . 19 1 1 A 23 23 TYR CB C 23 39.493 40.722 -1.229 1 1 179 . 19 1 1 A 23 23 TYR C C 23 176.259 175.563 0.696 1 1 181 . 19 1 1 A 24 24 THR N N 24 104.091 110.264 -6.173 1 1 182 . 19 1 1 A 24 24 THR H H 24 7.364 7.762 -0.398 1 1 183 . 19 1 1 A 24 24 THR CA C 24 58.807 59.916 -1.109 1 1 184 . 19 1 1 A 24 24 THR HA H 24 4.697 4.292 0.405 1 1 185 . 19 1 1 A 24 24 THR CB C 24 72.491 70.590 1.901 1 1 191 . 19 1 1 A 24 24 THR C C 24 173.941 174.602 -0.661 1 1 192 . 19 1 1 A 25 25 ASN N N 25 121.743 122.915 -1.172 1 1 193 . 19 1 1 A 25 25 ASN H H 25 8.167 8.246 -0.079 1 1 194 . 19 1 1 A 25 25 ASN CA C 25 55.394 56.686 -1.292 1 1 195 . 19 1 1 A 25 25 ASN HA H 25 3.488 4.127 -0.639 1 1 196 . 19 1 1 A 25 25 ASN CB C 25 37.914 38.311 -0.397 1 1 201 . 19 1 1 A 25 25 ASN C C 25 177.445 176.946 0.499 1 1 203 . 19 1 1 A 26 26 SER CA C 26 61.273 61.764 -0.491 1 1 204 . 19 1 1 A 26 26 SER HA H 26 4.001 4.083 -0.082 1 1 205 . 19 1 1 A 26 26 SER CB C 26 62.053 62.517 -0.464 1 1 207 . 19 1 1 A 26 26 SER C C 26 177.544 176.928 0.616 1 1 209 . 19 1 1 A 27 27 GLN N N 27 121.070 120.166 0.904 1 1 210 . 19 1 1 A 27 27 GLN H H 27 7.488 7.857 -0.369 1 1 211 . 19 1 1 A 27 27 GLN CA C 27 58.360 58.964 -0.604 1 1 212 . 19 1 1 A 27 27 GLN HA H 27 3.904 3.912 -0.008 1 1 213 . 19 1 1 A 27 27 GLN CB C 27 28.821 28.352 0.469 1 1 220 . 19 1 1 A 27 27 GLN C C 27 178.094 177.957 0.137 1 1 223 . 19 1 1 A 28 28 CYS N N 28 120.697 118.606 2.091 1 1 224 . 19 1 1 A 28 28 CYS H H 28 7.220 7.577 -0.357 1 1 225 . 19 1 1 A 28 28 CYS CA C 28 61.758 62.767 -1.009 1 1 226 . 19 1 1 A 28 28 CYS HA H 28 2.831 3.107 -0.276 1 1 227 . 19 1 1 A 28 28 CYS CB C 28 26.350 26.931 -0.581 1 1 229 . 19 1 1 A 28 28 CYS C C 28 175.755 176.944 -1.189 1 1 231 . 19 1 1 A 29 29 TYR N N 29 119.853 121.806 -1.953 1 1 232 . 19 1 1 A 29 29 TYR H H 29 8.676 8.135 0.541 1 1 233 . 19 1 1 A 29 29 TYR CA C 29 61.209 61.801 -0.592 1 1 234 . 19 1 1 A 29 29 TYR HA H 29 4.190 4.097 0.093 1 1 235 . 19 1 1 A 29 29 TYR CB C 29 37.680 38.516 -0.836 1 1 245 . 19 1 1 A 29 29 TYR C C 29 178.450 177.151 1.299 1 1 247 . 19 1 1 A 30 30 SER N N 30 113.870 116.023 -2.153 1 1 248 . 19 1 1 A 30 30 SER H H 30 7.941 8.351 -0.410 1 1 249 . 19 1 1 A 30 30 SER CA C 30 61.619 62.464 -0.845 1 1 250 . 19 1 1 A 30 30 SER HA H 30 3.929 4.026 -0.097 1 1 251 . 19 1 1 A 30 30 SER CB C 30 62.511 63.203 -0.692 1 1 253 . 19 1 1 A 30 30 SER C C 30 177.338 176.382 0.956 1 1 255 . 19 1 1 A 31 31 HIS N N 31 120.082 121.225 -1.143 1 1 256 . 19 1 1 A 31 31 HIS H H 31 7.472 7.324 0.148 1 1 257 . 19 1 1 A 31 31 HIS CA C 31 59.031 59.318 -0.287 1 1 258 . 19 1 1 A 31 31 HIS HA H 31 4.166 4.231 -0.065 1 1 259 . 19 1 1 A 31 31 HIS CB C 31 27.883 29.742 -1.859 1 1 265 . 19 1 1 A 31 31 HIS C C 31 177.933 176.926 1.007 1 1 267 . 19 1 1 A 32 32 GLN N N 32 122.469 117.891 4.578 1 1 268 . 19 1 1 A 32 32 GLN H H 32 8.922 8.105 0.817 1 1 269 . 19 1 1 A 32 32 GLN CA C 32 59.712 59.401 0.311 1 1 270 . 19 1 1 A 32 32 GLN HA H 32 3.803 4.041 -0.238 1 1 271 . 19 1 1 A 32 32 GLN CB C 32 28.541 28.809 -0.268 1 1 278 . 19 1 1 A 32 32 GLN C C 32 178.714 178.003 0.711 1 1 281 . 19 1 1 A 33 33 ARG N N 33 117.875 118.664 -0.789 1 1 282 . 19 1 1 A 33 33 ARG H H 33 7.460 7.861 -0.401 1 1 283 . 19 1 1 A 33 33 ARG CA C 33 58.084 59.713 -1.629 1 1 284 . 19 1 1 A 33 33 ARG HA H 33 3.987 3.805 0.182 1 1 285 . 19 1 1 A 33 33 ARG CB C 33 29.643 29.839 -0.196 1 1 291 . 19 1 1 A 33 33 ARG C C 33 177.881 178.400 -0.519 1 1 295 . 19 1 1 A 34 34 SER N N 34 114.760 114.877 -0.117 1 1 296 . 19 1 1 A 34 34 SER H H 34 7.661 7.877 -0.216 1 1 297 . 19 1 1 A 34 34 SER CA C 34 60.528 61.678 -1.150 1 1 298 . 19 1 1 A 34 34 SER HA H 34 4.157 4.013 0.144 1 1 299 . 19 1 1 A 34 34 SER CB C 34 63.155 62.658 0.497 1 1 301 . 19 1 1 A 34 34 SER C C 34 175.370 174.960 0.410 1 1 303 . 19 1 1 A 35 35 HIS N N 35 119.408 118.713 0.695 1 1 304 . 19 1 1 A 35 35 HIS H H 35 7.149 7.735 -0.586 1 1 305 . 19 1 1 A 35 35 HIS CA C 35 56.612 56.908 -0.296 1 1 306 . 19 1 1 A 35 35 HIS HA H 35 4.591 4.458 0.133 1 1 307 . 19 1 1 A 35 35 HIS CB C 35 28.543 30.440 -1.897 1 1 313 . 19 1 1 A 35 35 HIS C C 35 175.587 175.260 0.327 1 1 315 . 19 1 1 A 36 36 SER N N 36 114.717 118.236 -3.519 1 1 316 . 19 1 1 A 36 36 SER H H 36 7.831 8.435 -0.604 1 1 317 . 19 1 1 A 36 36 SER CA C 36 58.643 57.162 1.481 1 1 318 . 19 1 1 A 36 36 SER HA H 36 4.412 5.076 -0.664 1 1 319 . 19 1 1 A 36 36 SER CB C 36 63.865 66.299 -2.434 1 1 320 . 19 1 1 A 36 36 SER C C 36 175.009 174.220 0.789 1 1 322 . 19 1 1 A 37 37 GLY N N 37 110.718 112.663 -1.945 1 1 323 . 19 1 1 A 37 37 GLY H H 37 8.233 8.374 -0.141 1 1 324 . 19 1 1 A 37 37 GLY CA C 37 45.254 45.781 -0.527 1 1 325 . 19 1 1 A 37 37 GLY HA3 H 37 3.930 4.024 -0.094 1 1 326 . 19 1 1 A 37 37 GLY C C 37 174.063 175.017 -0.954 1 1 327 . 19 1 1 A 37 37 GLY HA2 H 37 3.930 4.023 -0.093 1 1 328 . 19 1 1 A 38 38 GLU N N 38 120.467 117.470 2.997 1 1 329 . 19 1 1 A 38 38 GLU H H 38 8.063 8.079 -0.016 1 1 330 . 19 1 1 A 38 38 GLU CA C 38 56.324 56.101 0.223 1 1 331 . 19 1 1 A 38 38 GLU HA H 38 4.202 4.343 -0.141 1 1 332 . 19 1 1 A 38 38 GLU CB C 38 30.407 29.070 1.337 1 1 336 . 19 1 1 A 38 38 GLU C C 38 176.234 175.564 0.670 1 1 339 . 19 1 1 A 39 39 LYS N N 39 123.848 122.649 1.199 1 1 340 . 19 1 1 A 39 39 LYS H H 39 8.379 7.489 0.890 1 1 341 . 19 1 1 A 39 39 LYS CA C 39 54.044 52.680 1.364 1 1 342 . 19 1 1 A 39 39 LYS HA H 39 4.553 4.877 -0.324 1 1 343 . 19 1 1 A 39 39 LYS CB C 39 32.409 34.017 -1.608 1 1 351 . 19 1 1 A 39 39 LYS C C 39 174.964 174.377 0.587 1 1 356 . 19 1 1 A 40 40 PRO CA C 40 63.191 62.854 0.337 1 1 357 . 19 1 1 A 40 40 PRO HA H 40 4.410 4.546 -0.136 1 1 358 . 19 1 1 A 40 40 PRO CB C 40 32.091 31.742 0.349 1 1 1 . 20 1 1 A 9 9 GLY CA C 9 45.245 46.008 -0.763 1 1 2 . 20 1 1 A 9 9 GLY HA3 H 9 3.924 4.086 -0.162 1 1 3 . 20 1 1 A 9 9 GLY C C 9 174.036 171.946 2.090 1 1 4 . 20 1 1 A 9 9 GLY HA2 H 9 3.924 4.081 -0.157 1 1 5 . 20 1 1 A 10 10 GLU N N 10 120.696 119.727 0.969 1 1 6 . 20 1 1 A 10 10 GLU H H 10 8.207 8.746 -0.539 1 1 7 . 20 1 1 A 10 10 GLU CA C 10 56.534 55.259 1.275 1 1 8 . 20 1 1 A 10 10 GLU HA H 10 4.133 4.905 -0.772 1 1 9 . 20 1 1 A 10 10 GLU CB C 10 30.333 31.911 -1.578 1 1 13 . 20 1 1 A 10 10 GLU C C 10 175.895 173.736 2.159 1 1 16 . 20 1 1 A 11 11 LYS N N 11 122.388 119.103 3.285 1 1 17 . 20 1 1 A 11 11 LYS H H 11 8.194 8.439 -0.245 1 1 18 . 20 1 1 A 11 11 LYS CA C 11 53.829 53.355 0.474 1 1 19 . 20 1 1 A 11 11 LYS HA H 11 4.210 4.866 -0.656 1 1 20 . 20 1 1 A 11 11 LYS CB C 11 31.954 33.259 -1.305 1 1 28 . 20 1 1 A 11 11 LYS C C 11 174.474 176.468 -1.994 1 1 33 . 20 1 1 A 12 12 PRO CA C 12 64.016 64.265 -0.249 1 1 34 . 20 1 1 A 12 12 PRO HA H 12 4.100 4.321 -0.221 1 1 35 . 20 1 1 A 12 12 PRO CB C 12 32.091 32.124 -0.033 1 1 41 . 20 1 1 A 12 12 PRO C C 12 176.288 176.057 0.231 1 1 45 . 20 1 1 A 13 13 PHE N N 13 117.244 117.293 -0.049 1 1 46 . 20 1 1 A 13 13 PHE H H 13 7.539 7.187 0.352 1 1 47 . 20 1 1 A 13 13 PHE CA C 13 57.505 56.710 0.795 1 1 48 . 20 1 1 A 13 13 PHE HA H 13 4.650 5.093 -0.443 1 1 49 . 20 1 1 A 13 13 PHE CB C 13 39.645 42.801 -3.156 1 1 61 . 20 1 1 A 13 13 PHE C C 13 174.436 174.826 -0.390 1 1 63 . 20 1 1 A 14 14 LYS N N 14 123.175 120.500 2.675 1 1 64 . 20 1 1 A 14 14 LYS H H 14 8.664 9.071 -0.407 1 1 65 . 20 1 1 A 14 14 LYS CA C 14 54.292 54.619 -0.327 1 1 66 . 20 1 1 A 14 14 LYS HA H 14 5.102 5.512 -0.410 1 1 67 . 20 1 1 A 14 14 LYS CB C 14 34.850 36.178 -1.328 1 1 75 . 20 1 1 A 14 14 LYS C C 14 176.027 175.108 0.919 1 1 80 . 20 1 1 A 15 15 CYS N N 15 126.518 121.074 5.444 1 1 81 . 20 1 1 A 15 15 CYS H H 15 9.121 9.475 -0.354 1 1 82 . 20 1 1 A 15 15 CYS CA C 15 59.421 60.159 -0.738 1 1 83 . 20 1 1 A 15 15 CYS HA H 15 4.379 4.643 -0.264 1 1 84 . 20 1 1 A 15 15 CYS CB C 15 30.467 28.780 1.687 1 1 86 . 20 1 1 A 15 15 CYS C C 15 177.905 176.647 1.258 1 1 88 . 20 1 1 A 16 16 GLU N N 16 131.837 124.297 7.540 1 1 89 . 20 1 1 A 16 16 GLU H H 16 9.146 8.855 0.291 1 1 90 . 20 1 1 A 16 16 GLU CA C 16 58.767 58.117 0.650 1 1 91 . 20 1 1 A 16 16 GLU HA H 16 4.015 4.237 -0.222 1 1 92 . 20 1 1 A 16 16 GLU CB C 16 30.034 30.343 -0.309 1 1 96 . 20 1 1 A 16 16 GLU C C 16 176.586 178.629 -2.043 1 1 99 . 20 1 1 A 17 17 GLU N N 17 120.271 119.242 1.029 1 1 100 . 20 1 1 A 17 17 GLU H H 17 8.759 7.811 0.948 1 1 101 . 20 1 1 A 17 17 GLU CA C 17 58.156 58.575 -0.419 1 1 102 . 20 1 1 A 17 17 GLU HA H 17 4.187 3.932 0.255 1 1 103 . 20 1 1 A 17 17 GLU CB C 17 29.903 29.098 0.805 1 1 107 . 20 1 1 A 17 17 GLU C C 17 177.311 177.971 -0.660 1 1 110 . 20 1 1 A 18 18 CYS N N 18 115.586 115.227 0.359 1 1 111 . 20 1 1 A 18 18 CYS H H 18 8.194 7.982 0.212 1 1 112 . 20 1 1 A 18 18 CYS CA C 18 58.370 59.789 -1.419 1 1 113 . 20 1 1 A 18 18 CYS HA H 18 5.102 4.636 0.466 1 1 114 . 20 1 1 A 18 18 CYS CB C 18 32.475 29.674 2.801 1 1 116 . 20 1 1 A 18 18 CYS C C 18 176.599 175.302 1.297 1 1 118 . 20 1 1 A 19 19 GLY N N 19 113.385 109.579 3.806 1 1 119 . 20 1 1 A 19 19 GLY H H 19 8.078 7.949 0.129 1 1 120 . 20 1 1 A 19 19 GLY CA C 19 46.212 45.139 1.073 1 1 121 . 20 1 1 A 19 19 GLY HA3 H 19 4.170 4.036 0.134 1 1 122 . 20 1 1 A 19 19 GLY C C 19 173.387 174.538 -1.151 1 1 123 . 20 1 1 A 19 19 GLY HA2 H 19 3.725 4.015 -0.290 1 1 124 . 20 1 1 A 20 20 LYS N N 20 123.491 122.364 1.127 1 1 125 . 20 1 1 A 20 20 LYS H H 20 8.031 7.554 0.477 1 1 126 . 20 1 1 A 20 20 LYS CA C 20 58.327 56.864 1.463 1 1 127 . 20 1 1 A 20 20 LYS HA H 20 3.865 3.966 -0.101 1 1 128 . 20 1 1 A 20 20 LYS CB C 20 33.833 33.079 0.754 1 1 136 . 20 1 1 A 20 20 LYS C C 20 174.752 175.363 -0.611 1 1 141 . 20 1 1 A 21 21 GLY N N 21 108.772 112.064 -3.292 1 1 142 . 20 1 1 A 21 21 GLY H H 21 7.874 8.121 -0.247 1 1 143 . 20 1 1 A 21 21 GLY CA C 21 44.209 43.827 0.382 1 1 144 . 20 1 1 A 21 21 GLY HA3 H 21 4.844 3.855 0.989 1 1 145 . 20 1 1 A 21 21 GLY C C 21 172.496 172.145 0.351 1 1 146 . 20 1 1 A 21 21 GLY HA2 H 21 3.160 3.848 -0.688 1 1 147 . 20 1 1 A 22 22 PHE N N 22 117.732 119.477 -1.745 1 1 148 . 20 1 1 A 22 22 PHE H H 22 8.744 8.381 0.363 1 1 149 . 20 1 1 A 22 22 PHE CA C 22 57.105 56.616 0.489 1 1 150 . 20 1 1 A 22 22 PHE HA H 22 4.459 4.724 -0.265 1 1 151 . 20 1 1 A 22 22 PHE CB C 22 44.303 43.054 1.249 1 1 163 . 20 1 1 A 22 22 PHE C C 22 175.019 175.002 0.017 1 1 165 . 20 1 1 A 23 23 TYR N N 23 117.772 120.704 -2.932 1 1 166 . 20 1 1 A 23 23 TYR H H 23 8.874 8.640 0.234 1 1 167 . 20 1 1 A 23 23 TYR CA C 23 61.344 59.202 2.142 1 1 168 . 20 1 1 A 23 23 TYR HA H 23 4.596 4.790 -0.194 1 1 169 . 20 1 1 A 23 23 TYR CB C 23 39.493 39.930 -0.437 1 1 179 . 20 1 1 A 23 23 TYR C C 23 176.259 175.848 0.411 1 1 181 . 20 1 1 A 24 24 THR N N 24 104.091 112.892 -8.801 1 1 182 . 20 1 1 A 24 24 THR H H 24 7.364 7.803 -0.439 1 1 183 . 20 1 1 A 24 24 THR CA C 24 58.807 59.407 -0.600 1 1 184 . 20 1 1 A 24 24 THR HA H 24 4.697 4.508 0.189 1 1 185 . 20 1 1 A 24 24 THR CB C 24 72.491 70.561 1.930 1 1 191 . 20 1 1 A 24 24 THR C C 24 173.941 174.203 -0.262 1 1 192 . 20 1 1 A 25 25 ASN N N 25 121.743 126.232 -4.489 1 1 193 . 20 1 1 A 25 25 ASN H H 25 8.167 8.584 -0.417 1 1 194 . 20 1 1 A 25 25 ASN CA C 25 55.394 55.969 -0.575 1 1 195 . 20 1 1 A 25 25 ASN HA H 25 3.488 4.107 -0.619 1 1 196 . 20 1 1 A 25 25 ASN CB C 25 37.914 37.854 0.060 1 1 201 . 20 1 1 A 25 25 ASN C C 25 177.445 176.850 0.595 1 1 203 . 20 1 1 A 26 26 SER CA C 26 61.273 61.432 -0.159 1 1 204 . 20 1 1 A 26 26 SER HA H 26 4.001 4.016 -0.015 1 1 205 . 20 1 1 A 26 26 SER CB C 26 62.053 62.842 -0.789 1 1 207 . 20 1 1 A 26 26 SER C C 26 177.544 177.234 0.310 1 1 209 . 20 1 1 A 27 27 GLN N N 27 121.070 120.934 0.136 1 1 210 . 20 1 1 A 27 27 GLN H H 27 7.488 7.825 -0.337 1 1 211 . 20 1 1 A 27 27 GLN CA C 27 58.360 58.491 -0.131 1 1 212 . 20 1 1 A 27 27 GLN HA H 27 3.904 3.985 -0.081 1 1 213 . 20 1 1 A 27 27 GLN CB C 27 28.821 28.462 0.359 1 1 220 . 20 1 1 A 27 27 GLN C C 27 178.094 177.883 0.211 1 1 223 . 20 1 1 A 28 28 CYS N N 28 120.697 118.703 1.994 1 1 224 . 20 1 1 A 28 28 CYS H H 28 7.220 7.587 -0.367 1 1 225 . 20 1 1 A 28 28 CYS CA C 28 61.758 62.367 -0.609 1 1 226 . 20 1 1 A 28 28 CYS HA H 28 2.831 2.032 0.799 1 1 227 . 20 1 1 A 28 28 CYS CB C 28 26.350 26.722 -0.372 1 1 229 . 20 1 1 A 28 28 CYS C C 28 175.755 176.673 -0.918 1 1 231 . 20 1 1 A 29 29 TYR N N 29 119.853 121.814 -1.961 1 1 232 . 20 1 1 A 29 29 TYR H H 29 8.676 7.794 0.882 1 1 233 . 20 1 1 A 29 29 TYR CA C 29 61.209 61.700 -0.491 1 1 234 . 20 1 1 A 29 29 TYR HA H 29 4.190 4.062 0.128 1 1 235 . 20 1 1 A 29 29 TYR CB C 29 37.680 38.385 -0.705 1 1 245 . 20 1 1 A 29 29 TYR C C 29 178.450 177.366 1.084 1 1 247 . 20 1 1 A 30 30 SER N N 30 113.870 114.096 -0.226 1 1 248 . 20 1 1 A 30 30 SER H H 30 7.941 8.162 -0.221 1 1 249 . 20 1 1 A 30 30 SER CA C 30 61.619 61.582 0.037 1 1 250 . 20 1 1 A 30 30 SER HA H 30 3.929 4.103 -0.174 1 1 251 . 20 1 1 A 30 30 SER CB C 30 62.511 63.094 -0.583 1 1 253 . 20 1 1 A 30 30 SER C C 30 177.338 176.990 0.348 1 1 255 . 20 1 1 A 31 31 HIS N N 31 120.082 120.348 -0.266 1 1 256 . 20 1 1 A 31 31 HIS H H 31 7.472 7.110 0.362 1 1 257 . 20 1 1 A 31 31 HIS CA C 31 59.031 59.301 -0.270 1 1 258 . 20 1 1 A 31 31 HIS HA H 31 4.166 4.238 -0.072 1 1 259 . 20 1 1 A 31 31 HIS CB C 31 27.883 30.014 -2.131 1 1 265 . 20 1 1 A 31 31 HIS C C 31 177.933 177.133 0.800 1 1 267 . 20 1 1 A 32 32 GLN N N 32 122.469 117.585 4.884 1 1 268 . 20 1 1 A 32 32 GLN H H 32 8.922 8.360 0.562 1 1 269 . 20 1 1 A 32 32 GLN CA C 32 59.712 59.489 0.223 1 1 270 . 20 1 1 A 32 32 GLN HA H 32 3.803 3.974 -0.171 1 1 271 . 20 1 1 A 32 32 GLN CB C 32 28.541 28.190 0.351 1 1 278 . 20 1 1 A 32 32 GLN C C 32 178.714 178.298 0.416 1 1 281 . 20 1 1 A 33 33 ARG N N 33 117.875 118.329 -0.454 1 1 282 . 20 1 1 A 33 33 ARG H H 33 7.460 8.186 -0.726 1 1 283 . 20 1 1 A 33 33 ARG CA C 33 58.084 58.605 -0.521 1 1 284 . 20 1 1 A 33 33 ARG HA H 33 3.987 4.020 -0.033 1 1 285 . 20 1 1 A 33 33 ARG CB C 33 29.643 30.422 -0.779 1 1 291 . 20 1 1 A 33 33 ARG C C 33 177.881 178.279 -0.398 1 1 295 . 20 1 1 A 34 34 SER N N 34 114.760 115.089 -0.329 1 1 296 . 20 1 1 A 34 34 SER H H 34 7.661 7.790 -0.129 1 1 297 . 20 1 1 A 34 34 SER CA C 34 60.528 61.636 -1.108 1 1 298 . 20 1 1 A 34 34 SER HA H 34 4.157 4.046 0.111 1 1 299 . 20 1 1 A 34 34 SER CB C 34 63.155 62.935 0.220 1 1 301 . 20 1 1 A 34 34 SER C C 34 175.370 177.107 -1.737 1 1 303 . 20 1 1 A 35 35 HIS N N 35 119.408 119.545 -0.137 1 1 304 . 20 1 1 A 35 35 HIS H H 35 7.149 7.638 -0.489 1 1 305 . 20 1 1 A 35 35 HIS CA C 35 56.612 59.345 -2.733 1 1 306 . 20 1 1 A 35 35 HIS HA H 35 4.591 4.202 0.389 1 1 307 . 20 1 1 A 35 35 HIS CB C 35 28.543 29.702 -1.159 1 1 313 . 20 1 1 A 35 35 HIS C C 35 175.587 175.833 -0.246 1 1 315 . 20 1 1 A 36 36 SER N N 36 114.717 111.119 3.598 1 1 316 . 20 1 1 A 36 36 SER H H 36 7.831 7.727 0.104 1 1 317 . 20 1 1 A 36 36 SER CA C 36 58.643 58.890 -0.247 1 1 318 . 20 1 1 A 36 36 SER HA H 36 4.412 4.361 0.051 1 1 319 . 20 1 1 A 36 36 SER CB C 36 63.865 64.293 -0.428 1 1 320 . 20 1 1 A 36 36 SER C C 36 175.009 174.493 0.516 1 1 322 . 20 1 1 A 37 37 GLY N N 37 110.718 109.255 1.463 1 1 323 . 20 1 1 A 37 37 GLY H H 37 8.233 8.552 -0.319 1 1 324 . 20 1 1 A 37 37 GLY CA C 37 45.254 46.059 -0.805 1 1 325 . 20 1 1 A 37 37 GLY HA3 H 37 3.930 4.026 -0.096 1 1 326 . 20 1 1 A 37 37 GLY C C 37 174.063 173.753 0.310 1 1 327 . 20 1 1 A 37 37 GLY HA2 H 37 3.930 4.022 -0.092 1 1 328 . 20 1 1 A 38 38 GLU N N 38 120.467 123.172 -2.705 1 1 329 . 20 1 1 A 38 38 GLU H H 38 8.063 8.339 -0.276 1 1 330 . 20 1 1 A 38 38 GLU CA C 38 56.324 55.786 0.538 1 1 331 . 20 1 1 A 38 38 GLU HA H 38 4.202 4.823 -0.621 1 1 332 . 20 1 1 A 38 38 GLU CB C 38 30.407 31.150 -0.743 1 1 336 . 20 1 1 A 38 38 GLU C C 38 176.234 175.628 0.606 1 1 339 . 20 1 1 A 39 39 LYS N N 39 123.848 123.396 0.452 1 1 340 . 20 1 1 A 39 39 LYS H H 39 8.379 8.647 -0.268 1 1 341 . 20 1 1 A 39 39 LYS CA C 39 54.044 52.846 1.198 1 1 342 . 20 1 1 A 39 39 LYS HA H 39 4.553 4.927 -0.374 1 1 343 . 20 1 1 A 39 39 LYS CB C 39 32.409 34.845 -2.436 1 1 351 . 20 1 1 A 39 39 LYS C C 39 174.964 174.012 0.952 1 1 356 . 20 1 1 A 40 40 PRO CA C 40 63.191 62.300 0.891 1 1 357 . 20 1 1 A 40 40 PRO HA H 40 4.410 4.664 -0.254 1 1 358 . 20 1 1 A 40 40 PRO CB C 40 32.091 33.035 -0.944 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 0.988 1 2 1 1 1 "RMS(OBS, PRED)" CA 32 1.082 1 3 1 1 1 "RMS(OBS, PRED)" CB 28 1.550 1 4 1 1 1 "RMS(OBS, PRED)" H 28 0.438 1 5 1 1 1 "RMS(OBS, PRED)" HA 36 0.406 1 6 1 1 1 "RMS(OBS, PRED)" N 28 3.015 1 7 1 2 1 "RMS(OBS, PRED)" C 31 1.069 1 8 1 2 1 "RMS(OBS, PRED)" CA 32 0.989 1 9 1 2 1 "RMS(OBS, PRED)" CB 28 1.365 1 10 1 2 1 "RMS(OBS, PRED)" H 28 0.467 1 11 1 2 1 "RMS(OBS, PRED)" HA 36 0.395 1 12 1 2 1 "RMS(OBS, PRED)" N 28 3.151 1 13 1 3 1 "RMS(OBS, PRED)" C 31 0.969 1 14 1 3 1 "RMS(OBS, PRED)" CA 32 0.932 1 15 1 3 1 "RMS(OBS, PRED)" CB 28 1.397 1 16 1 3 1 "RMS(OBS, PRED)" H 28 0.554 1 17 1 3 1 "RMS(OBS, PRED)" HA 36 0.372 1 18 1 3 1 "RMS(OBS, PRED)" N 28 3.285 1 19 1 4 1 "RMS(OBS, PRED)" C 31 1.030 1 20 1 4 1 "RMS(OBS, PRED)" CA 32 0.980 1 21 1 4 1 "RMS(OBS, PRED)" CB 28 1.394 1 22 1 4 1 "RMS(OBS, PRED)" H 28 0.444 1 23 1 4 1 "RMS(OBS, PRED)" HA 36 0.387 1 24 1 4 1 "RMS(OBS, PRED)" N 28 2.967 1 25 1 5 1 "RMS(OBS, PRED)" C 31 0.960 1 26 1 5 1 "RMS(OBS, PRED)" CA 32 0.967 1 27 1 5 1 "RMS(OBS, PRED)" CB 28 1.586 1 28 1 5 1 "RMS(OBS, PRED)" H 28 0.530 1 29 1 5 1 "RMS(OBS, PRED)" HA 36 0.382 1 30 1 5 1 "RMS(OBS, PRED)" N 28 3.206 1 31 1 6 1 "RMS(OBS, PRED)" C 31 1.009 1 32 1 6 1 "RMS(OBS, PRED)" CA 32 0.949 1 33 1 6 1 "RMS(OBS, PRED)" CB 28 1.612 1 34 1 6 1 "RMS(OBS, PRED)" H 28 0.507 1 35 1 6 1 "RMS(OBS, PRED)" HA 36 0.455 1 36 1 6 1 "RMS(OBS, PRED)" N 28 3.021 1 37 1 7 1 "RMS(OBS, PRED)" C 31 0.946 1 38 1 7 1 "RMS(OBS, PRED)" CA 32 1.060 1 39 1 7 1 "RMS(OBS, PRED)" CB 28 1.539 1 40 1 7 1 "RMS(OBS, PRED)" H 28 0.547 1 41 1 7 1 "RMS(OBS, PRED)" HA 36 0.428 1 42 1 7 1 "RMS(OBS, PRED)" N 28 3.512 1 43 1 8 1 "RMS(OBS, PRED)" C 31 1.002 1 44 1 8 1 "RMS(OBS, PRED)" CA 32 1.000 1 45 1 8 1 "RMS(OBS, PRED)" CB 28 1.288 1 46 1 8 1 "RMS(OBS, PRED)" H 28 0.497 1 47 1 8 1 "RMS(OBS, PRED)" HA 36 0.396 1 48 1 8 1 "RMS(OBS, PRED)" N 28 3.359 1 49 1 9 1 "RMS(OBS, PRED)" C 31 0.911 1 50 1 9 1 "RMS(OBS, PRED)" CA 32 0.988 1 51 1 9 1 "RMS(OBS, PRED)" CB 28 1.667 1 52 1 9 1 "RMS(OBS, PRED)" H 28 0.508 1 53 1 9 1 "RMS(OBS, PRED)" HA 36 0.403 1 54 1 9 1 "RMS(OBS, PRED)" N 28 2.919 1 55 1 10 1 "RMS(OBS, PRED)" C 31 0.956 1 56 1 10 1 "RMS(OBS, PRED)" CA 32 1.011 1 57 1 10 1 "RMS(OBS, PRED)" CB 28 1.399 1 58 1 10 1 "RMS(OBS, PRED)" H 28 0.510 1 59 1 10 1 "RMS(OBS, PRED)" HA 36 0.356 1 60 1 10 1 "RMS(OBS, PRED)" N 28 3.236 1 61 1 11 1 "RMS(OBS, PRED)" C 31 0.871 1 62 1 11 1 "RMS(OBS, PRED)" CA 32 0.844 1 63 1 11 1 "RMS(OBS, PRED)" CB 28 1.365 1 64 1 11 1 "RMS(OBS, PRED)" H 28 0.442 1 65 1 11 1 "RMS(OBS, PRED)" HA 36 0.387 1 66 1 11 1 "RMS(OBS, PRED)" N 28 3.007 1 67 1 12 1 "RMS(OBS, PRED)" C 31 0.875 1 68 1 12 1 "RMS(OBS, PRED)" CA 32 0.949 1 69 1 12 1 "RMS(OBS, PRED)" CB 28 1.443 1 70 1 12 1 "RMS(OBS, PRED)" H 28 0.467 1 71 1 12 1 "RMS(OBS, PRED)" HA 36 0.353 1 72 1 12 1 "RMS(OBS, PRED)" N 28 3.265 1 73 1 13 1 "RMS(OBS, PRED)" C 31 1.001 1 74 1 13 1 "RMS(OBS, PRED)" CA 32 0.894 1 75 1 13 1 "RMS(OBS, PRED)" CB 28 1.449 1 76 1 13 1 "RMS(OBS, PRED)" H 28 0.481 1 77 1 13 1 "RMS(OBS, PRED)" HA 36 0.421 1 78 1 13 1 "RMS(OBS, PRED)" N 28 3.092 1 79 1 14 1 "RMS(OBS, PRED)" C 31 1.049 1 80 1 14 1 "RMS(OBS, PRED)" CA 32 1.108 1 81 1 14 1 "RMS(OBS, PRED)" CB 28 1.164 1 82 1 14 1 "RMS(OBS, PRED)" H 28 0.496 1 83 1 14 1 "RMS(OBS, PRED)" HA 36 0.358 1 84 1 14 1 "RMS(OBS, PRED)" N 28 3.420 1 85 1 15 1 "RMS(OBS, PRED)" C 31 1.031 1 86 1 15 1 "RMS(OBS, PRED)" CA 32 1.006 1 87 1 15 1 "RMS(OBS, PRED)" CB 28 1.733 1 88 1 15 1 "RMS(OBS, PRED)" H 28 0.437 1 89 1 15 1 "RMS(OBS, PRED)" HA 36 0.408 1 90 1 15 1 "RMS(OBS, PRED)" N 28 3.207 1 91 1 16 1 "RMS(OBS, PRED)" C 31 0.850 1 92 1 16 1 "RMS(OBS, PRED)" CA 32 0.955 1 93 1 16 1 "RMS(OBS, PRED)" CB 28 1.436 1 94 1 16 1 "RMS(OBS, PRED)" H 28 0.469 1 95 1 16 1 "RMS(OBS, PRED)" HA 36 0.363 1 96 1 16 1 "RMS(OBS, PRED)" N 28 2.898 1 97 1 17 1 "RMS(OBS, PRED)" C 31 0.891 1 98 1 17 1 "RMS(OBS, PRED)" CA 32 1.011 1 99 1 17 1 "RMS(OBS, PRED)" CB 28 1.436 1 100 1 17 1 "RMS(OBS, PRED)" H 28 0.476 1 101 1 17 1 "RMS(OBS, PRED)" HA 36 0.386 1 102 1 17 1 "RMS(OBS, PRED)" N 28 3.111 1 103 1 18 1 "RMS(OBS, PRED)" C 31 0.944 1 104 1 18 1 "RMS(OBS, PRED)" CA 32 1.004 1 105 1 18 1 "RMS(OBS, PRED)" CB 28 1.267 1 106 1 18 1 "RMS(OBS, PRED)" H 28 0.529 1 107 1 18 1 "RMS(OBS, PRED)" HA 36 0.348 1 108 1 18 1 "RMS(OBS, PRED)" N 28 3.348 1 109 1 19 1 "RMS(OBS, PRED)" C 31 0.928 1 110 1 19 1 "RMS(OBS, PRED)" CA 32 1.053 1 111 1 19 1 "RMS(OBS, PRED)" CB 28 1.380 1 112 1 19 1 "RMS(OBS, PRED)" H 28 0.473 1 113 1 19 1 "RMS(OBS, PRED)" HA 36 0.383 1 114 1 19 1 "RMS(OBS, PRED)" N 28 3.117 1 115 1 20 1 "RMS(OBS, PRED)" C 31 1.038 1 116 1 20 1 "RMS(OBS, PRED)" CA 32 0.956 1 117 1 20 1 "RMS(OBS, PRED)" CB 28 1.352 1 118 1 20 1 "RMS(OBS, PRED)" H 28 0.440 1 119 1 20 1 "RMS(OBS, PRED)" HA 36 0.396 1 120 1 20 1 "RMS(OBS, PRED)" N 28 3.318 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 45.245 45.623 -0.378 2 1 2 . 1 1 A 9 9 GLY HA3 H 9 3.924 4.024 -0.100 2 1 3 . 1 1 A 9 9 GLY C C 9 174.036 173.541 0.495 2 1 4 . 1 1 A 9 9 GLY HA2 H 9 3.924 4.018 -0.094 2 1 5 . 1 1 A 10 10 GLU N N 10 120.696 120.344 0.352 2 1 6 . 1 1 A 10 10 GLU H H 10 8.207 8.256 -0.049 2 1 7 . 1 1 A 10 10 GLU CA C 10 56.534 55.503 1.031 2 1 8 . 1 1 A 10 10 GLU HA H 10 4.133 4.732 -0.599 2 1 9 . 1 1 A 10 10 GLU CB C 10 30.333 31.948 -1.615 2 1 13 . 1 1 A 10 10 GLU C C 10 175.895 175.072 0.823 2 1 16 . 1 1 A 11 11 LYS N N 11 122.388 123.188 -0.800 2 1 17 . 1 1 A 11 11 LYS H H 11 8.194 8.418 -0.224 2 1 18 . 1 1 A 11 11 LYS CA C 11 53.829 53.302 0.527 2 1 19 . 1 1 A 11 11 LYS HA H 11 4.210 4.810 -0.600 2 1 20 . 1 1 A 11 11 LYS CB C 11 31.954 34.023 -2.068 2 1 28 . 1 1 A 11 11 LYS C C 11 174.474 176.350 -1.875 2 1 33 . 1 1 A 12 12 PRO CA C 12 64.016 64.340 -0.324 2 1 34 . 1 1 A 12 12 PRO HA H 12 4.100 4.336 -0.236 2 1 35 . 1 1 A 12 12 PRO CB C 12 32.091 32.134 -0.043 2 1 41 . 1 1 A 12 12 PRO C C 12 176.288 176.200 0.088 2 1 45 . 1 1 A 13 13 PHE N N 13 117.244 117.112 0.132 2 1 46 . 1 1 A 13 13 PHE H H 13 7.539 7.668 -0.129 2 1 47 . 1 1 A 13 13 PHE CA C 13 57.505 56.591 0.914 2 1 48 . 1 1 A 13 13 PHE HA H 13 4.650 5.109 -0.459 2 1 49 . 1 1 A 13 13 PHE CB C 13 39.645 42.308 -2.663 2 1 61 . 1 1 A 13 13 PHE C C 13 174.436 174.892 -0.456 2 1 63 . 1 1 A 14 14 LYS N N 14 123.175 120.443 2.732 2 1 64 . 1 1 A 14 14 LYS H H 14 8.664 9.155 -0.491 2 1 65 . 1 1 A 14 14 LYS CA C 14 54.292 54.509 -0.217 2 1 66 . 1 1 A 14 14 LYS HA H 14 5.102 5.357 -0.255 2 1 67 . 1 1 A 14 14 LYS CB C 14 34.850 36.132 -1.282 2 1 75 . 1 1 A 14 14 LYS C C 14 176.027 175.054 0.972 2 1 80 . 1 1 A 15 15 CYS N N 15 126.518 121.083 5.435 2 1 81 . 1 1 A 15 15 CYS H H 15 9.121 8.963 0.158 2 1 82 . 1 1 A 15 15 CYS CA C 15 59.421 59.883 -0.462 2 1 83 . 1 1 A 15 15 CYS HA H 15 4.379 4.707 -0.328 2 1 84 . 1 1 A 15 15 CYS CB C 15 30.467 28.641 1.826 2 1 86 . 1 1 A 15 15 CYS C C 15 177.905 176.634 1.271 2 1 88 . 1 1 A 16 16 GLU N N 16 131.837 123.827 8.010 2 1 89 . 1 1 A 16 16 GLU H H 16 9.146 8.834 0.312 2 1 90 . 1 1 A 16 16 GLU CA C 16 58.767 58.121 0.646 2 1 91 . 1 1 A 16 16 GLU HA H 16 4.015 4.230 -0.215 2 1 92 . 1 1 A 16 16 GLU CB C 16 30.034 30.348 -0.314 2 1 96 . 1 1 A 16 16 GLU C C 16 176.586 178.579 -1.993 2 1 99 . 1 1 A 17 17 GLU N N 17 120.271 119.319 0.952 2 1 100 . 1 1 A 17 17 GLU H H 17 8.759 7.699 1.060 2 1 101 . 1 1 A 17 17 GLU CA C 17 58.156 58.668 -0.512 2 1 102 . 1 1 A 17 17 GLU HA H 17 4.187 3.971 0.216 2 1 103 . 1 1 A 17 17 GLU CB C 17 29.903 29.287 0.616 2 1 107 . 1 1 A 17 17 GLU C C 17 177.311 178.131 -0.820 2 1 110 . 1 1 A 18 18 CYS N N 18 115.586 114.930 0.656 2 1 111 . 1 1 A 18 18 CYS H H 18 8.194 7.907 0.287 2 1 112 . 1 1 A 18 18 CYS CA C 18 58.370 59.754 -1.384 2 1 113 . 1 1 A 18 18 CYS HA H 18 5.102 4.596 0.506 2 1 114 . 1 1 A 18 18 CYS CB C 18 32.475 29.322 3.154 2 1 116 . 1 1 A 18 18 CYS C C 18 176.599 175.279 1.320 2 1 118 . 1 1 A 19 19 GLY N N 19 113.385 109.836 3.549 2 1 119 . 1 1 A 19 19 GLY H H 19 8.078 7.964 0.114 2 1 120 . 1 1 A 19 19 GLY CA C 19 46.212 44.955 1.257 2 1 121 . 1 1 A 19 19 GLY HA3 H 19 4.170 4.060 0.110 2 1 122 . 1 1 A 19 19 GLY C C 19 173.387 174.450 -1.063 2 1 123 . 1 1 A 19 19 GLY HA2 H 19 3.725 4.040 -0.315 2 1 124 . 1 1 A 20 20 LYS N N 20 123.491 122.359 1.132 2 1 125 . 1 1 A 20 20 LYS H H 20 8.031 7.450 0.581 2 1 126 . 1 1 A 20 20 LYS CA C 20 58.327 56.660 1.667 2 1 127 . 1 1 A 20 20 LYS HA H 20 3.865 3.964 -0.099 2 1 128 . 1 1 A 20 20 LYS CB C 20 33.833 32.963 0.870 2 1 136 . 1 1 A 20 20 LYS C C 20 174.752 175.536 -0.784 2 1 141 . 1 1 A 21 21 GLY N N 21 108.772 111.262 -2.490 2 1 142 . 1 1 A 21 21 GLY H H 21 7.874 8.062 -0.188 2 1 143 . 1 1 A 21 21 GLY CA C 21 44.209 43.969 0.240 2 1 144 . 1 1 A 21 21 GLY HA3 H 21 4.844 3.917 0.927 2 1 145 . 1 1 A 21 21 GLY C C 21 172.496 172.183 0.313 2 1 146 . 1 1 A 21 21 GLY HA2 H 21 3.160 3.896 -0.736 2 1 147 . 1 1 A 22 22 PHE N N 22 117.732 120.943 -3.211 2 1 148 . 1 1 A 22 22 PHE H H 22 8.744 8.397 0.347 2 1 149 . 1 1 A 22 22 PHE CA C 22 57.105 56.494 0.611 2 1 150 . 1 1 A 22 22 PHE HA H 22 4.459 4.863 -0.404 2 1 151 . 1 1 A 22 22 PHE CB C 22 44.303 43.895 0.408 2 1 163 . 1 1 A 22 22 PHE C C 22 175.019 174.807 0.212 2 1 165 . 1 1 A 23 23 TYR N N 23 117.772 120.031 -2.259 2 1 166 . 1 1 A 23 23 TYR H H 23 8.874 8.783 0.091 2 1 167 . 1 1 A 23 23 TYR CA C 23 61.344 58.868 2.476 2 1 168 . 1 1 A 23 23 TYR HA H 23 4.596 4.920 -0.324 2 1 169 . 1 1 A 23 23 TYR CB C 23 39.493 40.730 -1.237 2 1 179 . 1 1 A 23 23 TYR C C 23 176.259 175.671 0.588 2 1 181 . 1 1 A 24 24 THR N N 24 104.091 110.521 -6.430 2 1 182 . 1 1 A 24 24 THR H H 24 7.364 7.649 -0.285 2 1 183 . 1 1 A 24 24 THR CA C 24 58.807 59.511 -0.704 2 1 184 . 1 1 A 24 24 THR HA H 24 4.697 4.397 0.300 2 1 185 . 1 1 A 24 24 THR CB C 24 72.491 71.289 1.202 2 1 191 . 1 1 A 24 24 THR C C 24 173.941 174.620 -0.679 2 1 192 . 1 1 A 25 25 ASN N N 25 121.743 122.421 -0.678 2 1 193 . 1 1 A 25 25 ASN H H 25 8.167 8.610 -0.443 2 1 194 . 1 1 A 25 25 ASN CA C 25 55.394 56.437 -1.043 2 1 195 . 1 1 A 25 25 ASN HA H 25 3.488 4.188 -0.700 2 1 196 . 1 1 A 25 25 ASN CB C 25 37.914 38.100 -0.186 2 1 201 . 1 1 A 25 25 ASN C C 25 177.445 177.062 0.383 2 1 203 . 1 1 A 26 26 SER CA C 26 61.273 61.598 -0.325 2 1 204 . 1 1 A 26 26 SER HA H 26 4.001 4.050 -0.049 2 1 205 . 1 1 A 26 26 SER CB C 26 62.053 62.703 -0.650 2 1 207 . 1 1 A 26 26 SER C C 26 177.544 176.942 0.602 2 1 209 . 1 1 A 27 27 GLN N N 27 121.070 120.500 0.570 2 1 210 . 1 1 A 27 27 GLN H H 27 7.488 7.720 -0.232 2 1 211 . 1 1 A 27 27 GLN CA C 27 58.360 58.654 -0.294 2 1 212 . 1 1 A 27 27 GLN HA H 27 3.904 3.945 -0.041 2 1 213 . 1 1 A 27 27 GLN CB C 27 28.821 28.424 0.397 2 1 220 . 1 1 A 27 27 GLN C C 27 178.094 177.896 0.198 2 1 223 . 1 1 A 28 28 CYS N N 28 120.697 118.605 2.092 2 1 224 . 1 1 A 28 28 CYS H H 28 7.220 7.632 -0.412 2 1 225 . 1 1 A 28 28 CYS CA C 28 61.758 62.478 -0.720 2 1 226 . 1 1 A 28 28 CYS HA H 28 2.831 2.461 0.370 2 1 227 . 1 1 A 28 28 CYS CB C 28 26.350 26.532 -0.182 2 1 229 . 1 1 A 28 28 CYS C C 28 175.755 176.756 -1.001 2 1 231 . 1 1 A 29 29 TYR N N 29 119.853 121.933 -2.080 2 1 232 . 1 1 A 29 29 TYR H H 29 8.676 8.114 0.562 2 1 233 . 1 1 A 29 29 TYR CA C 29 61.209 61.685 -0.476 2 1 234 . 1 1 A 29 29 TYR HA H 29 4.190 4.088 0.102 2 1 235 . 1 1 A 29 29 TYR CB C 29 37.680 38.531 -0.850 2 1 245 . 1 1 A 29 29 TYR C C 29 178.450 177.210 1.240 2 1 247 . 1 1 A 30 30 SER N N 30 113.870 114.561 -0.691 2 1 248 . 1 1 A 30 30 SER H H 30 7.941 8.406 -0.465 2 1 249 . 1 1 A 30 30 SER CA C 30 61.619 61.862 -0.243 2 1 250 . 1 1 A 30 30 SER HA H 30 3.929 4.125 -0.196 2 1 251 . 1 1 A 30 30 SER CB C 30 62.511 62.949 -0.438 2 1 253 . 1 1 A 30 30 SER C C 30 177.338 176.793 0.545 2 1 255 . 1 1 A 31 31 HIS N N 31 120.082 120.828 -0.746 2 1 256 . 1 1 A 31 31 HIS H H 31 7.472 7.348 0.124 2 1 257 . 1 1 A 31 31 HIS CA C 31 59.031 59.474 -0.443 2 1 258 . 1 1 A 31 31 HIS HA H 31 4.166 4.260 -0.094 2 1 259 . 1 1 A 31 31 HIS CB C 31 27.883 29.897 -2.014 2 1 265 . 1 1 A 31 31 HIS C C 31 177.933 177.082 0.851 2 1 267 . 1 1 A 32 32 GLN N N 32 122.469 117.815 4.654 2 1 268 . 1 1 A 32 32 GLN H H 32 8.922 8.124 0.798 2 1 269 . 1 1 A 32 32 GLN CA C 32 59.712 59.306 0.406 2 1 270 . 1 1 A 32 32 GLN HA H 32 3.803 3.953 -0.150 2 1 271 . 1 1 A 32 32 GLN CB C 32 28.541 28.280 0.261 2 1 278 . 1 1 A 32 32 GLN C C 32 178.714 178.244 0.470 2 1 281 . 1 1 A 33 33 ARG N N 33 117.875 119.077 -1.202 2 1 282 . 1 1 A 33 33 ARG H H 33 7.460 7.987 -0.527 2 1 283 . 1 1 A 33 33 ARG CA C 33 58.084 59.191 -1.107 2 1 284 . 1 1 A 33 33 ARG HA H 33 3.987 3.969 0.018 2 1 285 . 1 1 A 33 33 ARG CB C 33 29.643 29.920 -0.277 2 1 291 . 1 1 A 33 33 ARG C C 33 177.881 178.430 -0.549 2 1 295 . 1 1 A 34 34 SER N N 34 114.760 115.161 -0.401 2 1 296 . 1 1 A 34 34 SER H H 34 7.661 8.016 -0.355 2 1 297 . 1 1 A 34 34 SER CA C 34 60.528 61.610 -1.082 2 1 298 . 1 1 A 34 34 SER HA H 34 4.157 4.065 0.092 2 1 299 . 1 1 A 34 34 SER CB C 34 63.155 62.729 0.426 2 1 301 . 1 1 A 34 34 SER C C 34 175.370 175.521 -0.151 2 1 303 . 1 1 A 35 35 HIS N N 35 119.408 118.757 0.651 2 1 304 . 1 1 A 35 35 HIS H H 35 7.149 7.447 -0.298 2 1 305 . 1 1 A 35 35 HIS CA C 35 56.612 57.221 -0.609 2 1 306 . 1 1 A 35 35 HIS HA H 35 4.591 4.403 0.188 2 1 307 . 1 1 A 35 35 HIS CB C 35 28.543 29.845 -1.302 2 1 313 . 1 1 A 35 35 HIS C C 35 175.587 175.262 0.325 2 1 315 . 1 1 A 36 36 SER N N 36 114.717 117.090 -2.373 2 1 316 . 1 1 A 36 36 SER H H 36 7.831 8.535 -0.704 2 1 317 . 1 1 A 36 36 SER CA C 36 58.643 57.857 0.786 2 1 318 . 1 1 A 36 36 SER HA H 36 4.412 4.714 -0.302 2 1 319 . 1 1 A 36 36 SER CB C 36 63.865 64.709 -0.844 2 1 320 . 1 1 A 36 36 SER C C 36 175.009 174.173 0.836 2 1 322 . 1 1 A 37 37 GLY N N 37 110.718 111.669 -0.951 2 1 323 . 1 1 A 37 37 GLY H H 37 8.233 8.493 -0.260 2 1 324 . 1 1 A 37 37 GLY CA C 37 45.254 45.601 -0.347 2 1 325 . 1 1 A 37 37 GLY HA3 H 37 3.930 4.104 -0.174 2 1 326 . 1 1 A 37 37 GLY C C 37 174.063 173.467 0.596 2 1 327 . 1 1 A 37 37 GLY HA2 H 37 3.930 4.099 -0.169 2 1 328 . 1 1 A 38 38 GLU N N 38 120.467 120.900 -0.433 2 1 329 . 1 1 A 38 38 GLU H H 38 8.063 8.356 -0.293 2 1 330 . 1 1 A 38 38 GLU CA C 38 56.324 55.726 0.598 2 1 331 . 1 1 A 38 38 GLU HA H 38 4.202 4.673 -0.471 2 1 332 . 1 1 A 38 38 GLU CB C 38 30.407 30.944 -0.537 2 1 336 . 1 1 A 38 38 GLU C C 38 176.234 175.511 0.723 2 1 339 . 1 1 A 39 39 LYS N N 39 123.848 123.047 0.800 2 1 340 . 1 1 A 39 39 LYS H H 39 8.379 8.394 -0.015 2 1 341 . 1 1 A 39 39 LYS CA C 39 54.044 53.568 0.476 2 1 342 . 1 1 A 39 39 LYS HA H 39 4.553 4.748 -0.195 2 1 343 . 1 1 A 39 39 LYS CB C 39 32.409 34.130 -1.721 2 1 351 . 1 1 A 39 39 LYS C C 39 174.964 175.084 -0.120 2 1 356 . 1 1 A 40 40 PRO CA C 40 63.191 63.246 -0.055 2 1 357 . 1 1 A 40 40 PRO HA H 40 4.410 4.584 -0.174 2 1 358 . 1 1 A 40 40 PRO CB C 40 32.091 32.084 0.007 2 stop_ save_