data_10157_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10157 _Entry.PDB_ID 2EOS _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 7 7 GLY CA C 7 45.530 46.702 -1.172 1 1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.930 3.933 -0.003 1 1 3 . 1 1 1 A 7 7 GLY C C 7 174.617 174.041 0.576 1 1 4 . 1 1 1 A 7 7 GLY HA2 H 7 3.930 3.927 0.003 1 1 5 . 1 1 1 A 8 8 GLY N N 8 108.339 105.806 2.533 1 1 6 . 1 1 1 A 8 8 GLY H H 8 8.199 8.074 0.125 1 1 7 . 1 1 1 A 8 8 GLY CA C 8 45.038 46.130 -1.092 1 1 8 . 1 1 1 A 8 8 GLY HA3 H 8 3.917 4.174 -0.257 1 1 9 . 1 1 1 A 8 8 GLY C C 8 174.079 172.220 1.859 1 1 10 . 1 1 1 A 8 8 GLY HA2 H 8 3.917 4.172 -0.255 1 1 11 . 1 1 1 A 9 9 GLU N N 9 120.351 119.007 1.344 1 1 12 . 1 1 1 A 9 9 GLU H H 9 8.357 8.339 0.018 1 1 13 . 1 1 1 A 9 9 GLU CA C 9 57.060 55.090 1.970 1 1 14 . 1 1 1 A 9 9 GLU HA H 9 4.129 4.742 -0.613 1 1 15 . 1 1 1 A 9 9 GLU CB C 9 30.173 32.428 -2.255 1 1 18 . 1 1 1 A 9 9 GLU C C 9 176.341 176.072 0.269 1 1 21 . 1 1 1 A 10 10 LYS N N 10 121.224 122.378 -1.154 1 1 22 . 1 1 1 A 10 10 LYS H H 10 8.294 8.822 -0.528 1 1 23 . 1 1 1 A 10 10 LYS CA C 10 53.746 56.757 -3.011 1 1 24 . 1 1 1 A 10 10 LYS HA H 10 4.434 4.209 0.225 1 1 25 . 1 1 1 A 10 10 LYS CB C 10 33.720 30.143 3.577 1 1 33 . 1 1 1 A 10 10 LYS C C 10 174.180 176.695 -2.515 1 1 38 . 1 1 1 A 11 11 PRO CA C 11 63.617 64.362 -0.745 1 1 39 . 1 1 1 A 11 11 PRO HA H 11 4.269 4.418 -0.149 1 1 40 . 1 1 1 A 11 11 PRO CB C 11 32.493 31.626 0.867 1 1 46 . 1 1 1 A 11 11 PRO C C 11 176.062 175.812 0.250 1 1 50 . 1 1 1 A 12 12 TYR N N 12 116.760 118.833 -2.073 1 1 51 . 1 1 1 A 12 12 TYR H H 12 7.803 7.869 -0.066 1 1 52 . 1 1 1 A 12 12 TYR CA C 12 55.382 55.194 0.188 1 1 53 . 1 1 1 A 12 12 TYR HA H 12 5.090 5.039 0.051 1 1 54 . 1 1 1 A 12 12 TYR CB C 12 39.070 38.794 0.276 1 1 64 . 1 1 1 A 12 12 TYR C C 12 173.946 173.496 0.450 1 1 66 . 1 1 1 A 13 13 PRO CA C 13 61.323 63.146 -1.823 1 1 67 . 1 1 1 A 13 13 PRO HA H 13 4.946 4.598 0.348 1 1 68 . 1 1 1 A 13 13 PRO CB C 13 32.343 32.234 0.109 1 1 74 . 1 1 1 A 13 13 PRO C C 13 175.848 176.764 -0.916 1 1 78 . 1 1 1 A 14 14 CYS N N 14 122.803 121.922 0.881 1 1 79 . 1 1 1 A 14 14 CYS H H 14 8.973 8.657 0.316 1 1 80 . 1 1 1 A 14 14 CYS CA C 14 59.241 59.100 0.141 1 1 81 . 1 1 1 A 14 14 CYS HA H 14 4.702 4.677 0.025 1 1 82 . 1 1 1 A 14 14 CYS CB C 14 29.646 28.676 0.970 1 1 84 . 1 1 1 A 14 14 CYS C C 14 178.137 174.881 3.256 1 1 86 . 1 1 1 A 15 15 GLU N N 15 132.218 125.171 7.047 1 1 87 . 1 1 1 A 15 15 GLU H H 15 9.723 8.863 0.860 1 1 88 . 1 1 1 A 15 15 GLU CA C 15 58.506 57.921 0.585 1 1 89 . 1 1 1 A 15 15 GLU HA H 15 4.186 4.319 -0.133 1 1 90 . 1 1 1 A 15 15 GLU CB C 15 29.648 30.103 -0.455 1 1 94 . 1 1 1 A 15 15 GLU C C 15 176.120 178.833 -2.713 1 1 97 . 1 1 1 A 16 16 ILE N N 16 121.803 119.882 1.921 1 1 98 . 1 1 1 A 16 16 ILE H H 16 8.900 7.631 1.269 1 1 99 . 1 1 1 A 16 16 ILE CA C 16 63.455 65.187 -1.732 1 1 100 . 1 1 1 A 16 16 ILE HA H 16 3.890 3.423 0.467 1 1 101 . 1 1 1 A 16 16 ILE CB C 16 38.217 37.011 1.206 1 1 113 . 1 1 1 A 16 16 ILE C C 16 177.134 177.801 -0.667 1 1 115 . 1 1 1 A 17 17 CYS N N 17 117.174 116.255 0.919 1 1 116 . 1 1 1 A 17 17 CYS H H 17 8.560 7.108 1.452 1 1 117 . 1 1 1 A 17 17 CYS CA C 17 58.390 59.767 -1.377 1 1 118 . 1 1 1 A 17 17 CYS HA H 17 5.177 4.509 0.668 1 1 119 . 1 1 1 A 17 17 CYS CB C 17 32.618 29.023 3.595 1 1 121 . 1 1 1 A 17 17 CYS C C 17 176.615 175.250 1.365 1 1 123 . 1 1 1 A 18 18 GLY N N 18 113.492 109.609 3.883 1 1 124 . 1 1 1 A 18 18 GLY H H 18 8.159 8.019 0.140 1 1 125 . 1 1 1 A 18 18 GLY CA C 18 46.223 45.352 0.871 1 1 126 . 1 1 1 A 18 18 GLY HA3 H 18 4.282 4.092 0.190 1 1 127 . 1 1 1 A 18 18 GLY C C 18 174.098 174.817 -0.719 1 1 128 . 1 1 1 A 18 18 GLY HA2 H 18 3.827 4.076 -0.249 1 1 129 . 1 1 1 A 19 19 THR N N 19 120.008 116.084 3.924 1 1 130 . 1 1 1 A 19 19 THR H H 19 7.989 7.501 0.488 1 1 131 . 1 1 1 A 19 19 THR CA C 19 64.755 63.979 0.776 1 1 132 . 1 1 1 A 19 19 THR HA H 19 3.921 4.177 -0.256 1 1 133 . 1 1 1 A 19 19 THR CB C 19 68.607 69.353 -0.746 1 1 139 . 1 1 1 A 19 19 THR C C 19 171.898 174.265 -2.367 1 1 140 . 1 1 1 A 20 20 ARG N N 20 123.158 127.392 -4.234 1 1 141 . 1 1 1 A 20 20 ARG H H 20 8.057 8.513 -0.456 1 1 142 . 1 1 1 A 20 20 ARG CA C 20 55.128 56.128 -1.000 1 1 143 . 1 1 1 A 20 20 ARG HA H 20 4.787 4.928 -0.141 1 1 144 . 1 1 1 A 20 20 ARG CB C 20 33.459 31.946 1.513 1 1 150 . 1 1 1 A 20 20 ARG C C 20 174.806 175.695 -0.889 1 1 154 . 1 1 1 A 21 21 PHE N N 21 117.358 119.030 -1.672 1 1 155 . 1 1 1 A 21 21 PHE H H 21 8.245 8.435 -0.190 1 1 156 . 1 1 1 A 21 21 PHE CA C 21 57.360 56.300 1.060 1 1 157 . 1 1 1 A 21 21 PHE HA H 21 4.729 4.910 -0.181 1 1 158 . 1 1 1 A 21 21 PHE CB C 21 42.955 42.206 0.749 1 1 170 . 1 1 1 A 21 21 PHE C C 21 175.256 176.066 -0.810 1 1 172 . 1 1 1 A 22 22 ARG N N 22 120.836 123.798 -2.962 1 1 173 . 1 1 1 A 22 22 ARG H H 22 9.201 8.768 0.433 1 1 174 . 1 1 1 A 22 22 ARG CA C 22 58.190 59.608 -1.418 1 1 175 . 1 1 1 A 22 22 ARG HA H 22 4.325 4.099 0.226 1 1 176 . 1 1 1 A 22 22 ARG CB C 22 31.236 30.220 1.016 1 1 182 . 1 1 1 A 22 22 ARG C C 22 174.935 176.650 -1.715 1 1 186 . 1 1 1 A 23 23 HIS N N 23 113.110 115.161 -2.051 1 1 187 . 1 1 1 A 23 23 HIS H H 23 7.454 8.145 -0.691 1 1 188 . 1 1 1 A 23 23 HIS CA C 23 54.696 54.804 -0.108 1 1 189 . 1 1 1 A 23 23 HIS HA H 23 5.127 4.962 0.165 1 1 190 . 1 1 1 A 23 23 HIS CB C 23 33.623 33.028 0.595 1 1 196 . 1 1 1 A 23 23 HIS C C 23 175.530 175.462 0.068 1 1 198 . 1 1 1 A 24 24 LEU N N 24 127.638 124.990 2.648 1 1 199 . 1 1 1 A 24 24 LEU H H 24 8.521 8.522 -0.001 1 1 200 . 1 1 1 A 24 24 LEU CA C 24 57.706 57.809 -0.103 1 1 201 . 1 1 1 A 24 24 LEU HA H 24 3.365 3.655 -0.290 1 1 202 . 1 1 1 A 24 24 LEU CB C 24 41.255 41.271 -0.016 1 1 214 . 1 1 1 A 24 24 LEU C C 24 178.985 178.162 0.823 1 1 216 . 1 1 1 A 25 25 GLN N N 25 116.917 116.888 0.029 1 1 217 . 1 1 1 A 25 25 GLN H H 25 9.292 8.073 1.219 1 1 218 . 1 1 1 A 25 25 GLN CA C 25 59.059 58.265 0.794 1 1 219 . 1 1 1 A 25 25 GLN HA H 25 3.908 4.043 -0.135 1 1 220 . 1 1 1 A 25 25 GLN CB C 25 27.816 28.204 -0.388 1 1 227 . 1 1 1 A 25 25 GLN C C 25 177.986 177.611 0.375 1 1 230 . 1 1 1 A 26 26 THR N N 26 114.926 116.663 -1.737 1 1 231 . 1 1 1 A 26 26 THR H H 26 7.057 7.910 -0.853 1 1 232 . 1 1 1 A 26 26 THR CA C 26 64.923 67.195 -2.272 1 1 233 . 1 1 1 A 26 26 THR HA H 26 3.955 3.920 0.035 1 1 234 . 1 1 1 A 26 26 THR CB C 26 67.976 68.445 -0.469 1 1 240 . 1 1 1 A 26 26 THR C C 26 176.674 175.966 0.708 1 1 241 . 1 1 1 A 27 27 LEU N N 27 123.660 120.827 2.833 1 1 242 . 1 1 1 A 27 27 LEU H H 27 7.152 8.009 -0.857 1 1 243 . 1 1 1 A 27 27 LEU CA C 27 58.092 57.961 0.131 1 1 244 . 1 1 1 A 27 27 LEU HA H 27 3.244 2.984 0.260 1 1 245 . 1 1 1 A 27 27 LEU CB C 27 39.898 41.299 -1.401 1 1 257 . 1 1 1 A 27 27 LEU C C 27 177.543 178.387 -0.844 1 1 259 . 1 1 1 A 28 28 LYS N N 28 117.443 118.761 -1.318 1 1 260 . 1 1 1 A 28 28 LYS H H 28 8.333 7.987 0.346 1 1 261 . 1 1 1 A 28 28 LYS CA C 28 60.192 59.462 0.730 1 1 262 . 1 1 1 A 28 28 LYS HA H 28 3.846 3.884 -0.038 1 1 263 . 1 1 1 A 28 28 LYS CB C 28 31.791 32.255 -0.464 1 1 271 . 1 1 1 A 28 28 LYS C C 28 179.540 179.253 0.287 1 1 276 . 1 1 1 A 29 29 SER N N 29 113.365 116.371 -3.006 1 1 277 . 1 1 1 A 29 29 SER H H 29 7.689 7.919 -0.230 1 1 278 . 1 1 1 A 29 29 SER CA C 29 61.437 61.285 0.152 1 1 279 . 1 1 1 A 29 29 SER HA H 29 4.180 4.230 -0.050 1 1 280 . 1 1 1 A 29 29 SER CB C 29 62.744 63.368 -0.624 1 1 282 . 1 1 1 A 29 29 SER C C 29 176.740 176.203 0.537 1 1 284 . 1 1 1 A 30 30 HIS N N 30 123.202 122.157 1.045 1 1 285 . 1 1 1 A 30 30 HIS H H 30 7.860 8.053 -0.193 1 1 286 . 1 1 1 A 30 30 HIS CA C 30 59.371 58.080 1.291 1 1 287 . 1 1 1 A 30 30 HIS HA H 30 4.185 4.106 0.079 1 1 288 . 1 1 1 A 30 30 HIS CB C 30 28.178 29.963 -1.785 1 1 294 . 1 1 1 A 30 30 HIS C C 30 176.119 176.638 -0.519 1 1 296 . 1 1 1 A 31 31 LEU N N 31 117.061 118.948 -1.887 1 1 297 . 1 1 1 A 31 31 LEU H H 31 8.307 7.470 0.837 1 1 298 . 1 1 1 A 31 31 LEU CA C 31 58.168 55.773 2.395 1 1 299 . 1 1 1 A 31 31 LEU HA H 31 3.836 4.010 -0.174 1 1 300 . 1 1 1 A 31 31 LEU CB C 31 42.239 41.734 0.505 1 1 312 . 1 1 1 A 31 31 LEU C C 31 178.830 177.885 0.945 1 1 314 . 1 1 1 A 32 32 ARG N N 32 116.244 119.698 -3.454 1 1 315 . 1 1 1 A 32 32 ARG H H 32 7.111 7.743 -0.632 1 1 316 . 1 1 1 A 32 32 ARG CA C 32 58.407 59.550 -1.143 1 1 317 . 1 1 1 A 32 32 ARG HA H 32 4.107 4.030 0.077 1 1 318 . 1 1 1 A 32 32 ARG CB C 32 30.079 29.871 0.208 1 1 324 . 1 1 1 A 32 32 ARG C C 32 178.721 179.244 -0.523 1 1 328 . 1 1 1 A 33 33 ILE N N 33 116.545 117.578 -1.033 1 1 329 . 1 1 1 A 33 33 ILE H H 33 7.956 7.597 0.359 1 1 330 . 1 1 1 A 33 33 ILE CA C 33 63.045 64.019 -0.974 1 1 331 . 1 1 1 A 33 33 ILE HA H 33 4.000 3.796 0.204 1 1 332 . 1 1 1 A 33 33 ILE CB C 33 37.627 36.960 0.667 1 1 344 . 1 1 1 A 33 33 ILE C C 33 177.439 178.111 -0.672 1 1 346 . 1 1 1 A 34 34 HIS N N 34 117.690 119.325 -1.635 1 1 347 . 1 1 1 A 34 34 HIS H H 34 7.296 7.576 -0.280 1 1 348 . 1 1 1 A 34 34 HIS CA C 34 55.177 59.085 -3.908 1 1 349 . 1 1 1 A 34 34 HIS HA H 34 4.881 4.341 0.540 1 1 350 . 1 1 1 A 34 34 HIS CB C 34 28.970 30.133 -1.163 1 1 356 . 1 1 1 A 34 34 HIS C C 34 175.551 175.648 -0.097 1 1 358 . 1 1 1 A 35 35 THR N N 35 112.173 112.185 -0.012 1 1 359 . 1 1 1 A 35 35 THR H H 35 7.832 7.800 0.032 1 1 360 . 1 1 1 A 35 35 THR CA C 35 62.557 60.364 2.193 1 1 361 . 1 1 1 A 35 35 THR HA H 35 4.368 4.733 -0.365 1 1 362 . 1 1 1 A 35 35 THR CB C 35 69.896 71.174 -1.278 1 1 368 . 1 1 1 A 35 35 THR C C 35 175.372 173.602 1.770 1 1 369 . 1 1 1 A 36 36 GLY N N 36 111.215 113.661 -2.446 1 1 370 . 1 1 1 A 36 36 GLY H H 36 8.360 8.443 -0.083 1 1 371 . 1 1 1 A 36 36 GLY CA C 36 45.502 45.649 -0.147 1 1 372 . 1 1 1 A 36 36 GLY HA3 H 36 3.915 4.173 -0.258 1 1 373 . 1 1 1 A 36 36 GLY C C 36 174.238 173.071 1.167 1 1 374 . 1 1 1 A 36 36 GLY HA2 H 36 4.055 4.170 -0.115 1 1 375 . 1 1 1 A 37 37 SER N N 37 115.499 119.114 -3.615 1 1 376 . 1 1 1 A 37 37 SER H H 37 8.243 8.715 -0.472 1 1 377 . 1 1 1 A 37 37 SER CA C 37 58.511 57.977 0.534 1 1 378 . 1 1 1 A 37 37 SER HA H 37 4.504 4.982 -0.478 1 1 379 . 1 1 1 A 37 37 SER CB C 37 63.971 63.163 0.808 1 1 381 . 1 1 1 A 37 37 SER C C 37 174.565 174.669 -0.104 1 1 383 . 1 1 1 A 38 38 GLY N N 38 110.692 113.991 -3.299 1 1 384 . 1 1 1 A 38 38 GLY H H 38 8.325 8.389 -0.064 1 1 385 . 1 1 1 A 38 38 GLY CA C 38 44.654 44.067 0.587 1 1 386 . 1 1 1 A 38 38 GLY HA3 H 38 4.157 4.100 0.057 1 1 387 . 1 1 1 A 38 38 GLY C C 38 171.814 174.082 -2.268 1 1 388 . 1 1 1 A 38 38 GLY HA2 H 38 4.109 4.099 0.010 1 1 389 . 1 1 1 A 39 39 PRO CA C 39 63.274 63.892 -0.618 1 1 390 . 1 1 1 A 39 39 PRO HA H 39 4.483 4.507 -0.024 1 1 391 . 1 1 1 A 39 39 PRO CB C 39 32.251 31.766 0.485 1 1 397 . 1 1 1 A 39 39 PRO C C 39 177.359 176.297 1.062 1 1 401 . 1 1 1 A 40 40 SER N N 40 116.333 112.986 3.347 1 1 402 . 1 1 1 A 40 40 SER H H 40 8.515 7.761 0.754 1 1 1 . 2 1 1 A 7 7 GLY CA C 7 45.530 45.814 -0.284 1 1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.930 4.111 -0.181 1 1 3 . 2 1 1 A 7 7 GLY C C 7 174.617 172.754 1.863 1 1 4 . 2 1 1 A 7 7 GLY HA2 H 7 3.930 4.107 -0.177 1 1 5 . 2 1 1 A 8 8 GLY N N 8 108.339 111.241 -2.902 1 1 6 . 2 1 1 A 8 8 GLY H H 8 8.199 8.855 -0.656 1 1 7 . 2 1 1 A 8 8 GLY CA C 8 45.038 44.884 0.154 1 1 8 . 2 1 1 A 8 8 GLY HA3 H 8 3.917 4.295 -0.378 1 1 9 . 2 1 1 A 8 8 GLY C C 8 174.079 173.709 0.370 1 1 10 . 2 1 1 A 8 8 GLY HA2 H 8 3.917 4.291 -0.374 1 1 11 . 2 1 1 A 9 9 GLU N N 9 120.351 125.110 -4.759 1 1 12 . 2 1 1 A 9 9 GLU H H 9 8.357 8.848 -0.491 1 1 13 . 2 1 1 A 9 9 GLU CA C 9 57.060 57.524 -0.464 1 1 14 . 2 1 1 A 9 9 GLU HA H 9 4.129 4.208 -0.079 1 1 15 . 2 1 1 A 9 9 GLU CB C 9 30.173 30.271 -0.098 1 1 18 . 2 1 1 A 9 9 GLU C C 9 176.341 176.446 -0.105 1 1 21 . 2 1 1 A 10 10 LYS N N 10 121.224 124.865 -3.641 1 1 22 . 2 1 1 A 10 10 LYS H H 10 8.294 8.329 -0.035 1 1 23 . 2 1 1 A 10 10 LYS CA C 10 53.746 53.973 -0.227 1 1 24 . 2 1 1 A 10 10 LYS HA H 10 4.434 5.131 -0.697 1 1 25 . 2 1 1 A 10 10 LYS CB C 10 33.720 32.830 0.890 1 1 33 . 2 1 1 A 10 10 LYS C C 10 174.180 175.324 -1.144 1 1 38 . 2 1 1 A 11 11 PRO CA C 11 63.617 64.058 -0.441 1 1 39 . 2 1 1 A 11 11 PRO HA H 11 4.269 4.441 -0.172 1 1 40 . 2 1 1 A 11 11 PRO CB C 11 32.493 31.172 1.321 1 1 46 . 2 1 1 A 11 11 PRO C C 11 176.062 175.703 0.359 1 1 50 . 2 1 1 A 12 12 TYR N N 12 116.760 118.551 -1.791 1 1 51 . 2 1 1 A 12 12 TYR H H 12 7.803 7.895 -0.092 1 1 52 . 2 1 1 A 12 12 TYR CA C 12 55.382 55.208 0.174 1 1 53 . 2 1 1 A 12 12 TYR HA H 12 5.090 5.046 0.044 1 1 54 . 2 1 1 A 12 12 TYR CB C 12 39.070 38.801 0.269 1 1 64 . 2 1 1 A 12 12 TYR C C 12 173.946 173.456 0.490 1 1 66 . 2 1 1 A 13 13 PRO CA C 13 61.323 63.147 -1.824 1 1 67 . 2 1 1 A 13 13 PRO HA H 13 4.946 4.618 0.328 1 1 68 . 2 1 1 A 13 13 PRO CB C 13 32.343 32.124 0.219 1 1 74 . 2 1 1 A 13 13 PRO C C 13 175.848 176.644 -0.796 1 1 78 . 2 1 1 A 14 14 CYS N N 14 122.803 121.780 1.023 1 1 79 . 2 1 1 A 14 14 CYS H H 14 8.973 9.015 -0.042 1 1 80 . 2 1 1 A 14 14 CYS CA C 14 59.241 58.907 0.334 1 1 81 . 2 1 1 A 14 14 CYS HA H 14 4.702 4.750 -0.048 1 1 82 . 2 1 1 A 14 14 CYS CB C 14 29.646 28.922 0.724 1 1 84 . 2 1 1 A 14 14 CYS C C 14 178.137 176.130 2.007 1 1 86 . 2 1 1 A 15 15 GLU N N 15 132.218 122.882 9.336 1 1 87 . 2 1 1 A 15 15 GLU H H 15 9.723 8.730 0.993 1 1 88 . 2 1 1 A 15 15 GLU CA C 15 58.506 57.900 0.606 1 1 89 . 2 1 1 A 15 15 GLU HA H 15 4.186 4.354 -0.168 1 1 90 . 2 1 1 A 15 15 GLU CB C 15 29.648 30.693 -1.045 1 1 94 . 2 1 1 A 15 15 GLU C C 15 176.120 178.801 -2.681 1 1 97 . 2 1 1 A 16 16 ILE N N 16 121.803 120.766 1.037 1 1 98 . 2 1 1 A 16 16 ILE H H 16 8.900 7.643 1.257 1 1 99 . 2 1 1 A 16 16 ILE CA C 16 63.455 65.211 -1.756 1 1 100 . 2 1 1 A 16 16 ILE HA H 16 3.890 3.418 0.472 1 1 101 . 2 1 1 A 16 16 ILE CB C 16 38.217 37.007 1.210 1 1 113 . 2 1 1 A 16 16 ILE C C 16 177.134 177.802 -0.668 1 1 115 . 2 1 1 A 17 17 CYS N N 17 117.174 116.195 0.979 1 1 116 . 2 1 1 A 17 17 CYS H H 17 8.560 7.223 1.337 1 1 117 . 2 1 1 A 17 17 CYS CA C 17 58.390 59.770 -1.380 1 1 118 . 2 1 1 A 17 17 CYS HA H 17 5.177 4.480 0.697 1 1 119 . 2 1 1 A 17 17 CYS CB C 17 32.618 29.005 3.613 1 1 121 . 2 1 1 A 17 17 CYS C C 17 176.615 175.236 1.379 1 1 123 . 2 1 1 A 18 18 GLY N N 18 113.492 109.600 3.892 1 1 124 . 2 1 1 A 18 18 GLY H H 18 8.159 8.001 0.158 1 1 125 . 2 1 1 A 18 18 GLY CA C 18 46.223 45.295 0.928 1 1 126 . 2 1 1 A 18 18 GLY HA3 H 18 4.282 4.083 0.199 1 1 127 . 2 1 1 A 18 18 GLY C C 18 174.098 174.695 -0.597 1 1 128 . 2 1 1 A 18 18 GLY HA2 H 18 3.827 4.069 -0.242 1 1 129 . 2 1 1 A 19 19 THR N N 19 120.008 116.025 3.983 1 1 130 . 2 1 1 A 19 19 THR H H 19 7.989 7.449 0.540 1 1 131 . 2 1 1 A 19 19 THR CA C 19 64.755 63.261 1.494 1 1 132 . 2 1 1 A 19 19 THR HA H 19 3.921 4.142 -0.221 1 1 133 . 2 1 1 A 19 19 THR CB C 19 68.607 69.290 -0.683 1 1 139 . 2 1 1 A 19 19 THR C C 19 171.898 174.032 -2.134 1 1 140 . 2 1 1 A 20 20 ARG N N 20 123.158 126.535 -3.377 1 1 141 . 2 1 1 A 20 20 ARG H H 20 8.057 8.381 -0.324 1 1 142 . 2 1 1 A 20 20 ARG CA C 20 55.128 54.816 0.312 1 1 143 . 2 1 1 A 20 20 ARG HA H 20 4.787 5.002 -0.215 1 1 144 . 2 1 1 A 20 20 ARG CB C 20 33.459 33.056 0.403 1 1 150 . 2 1 1 A 20 20 ARG C C 20 174.806 175.240 -0.434 1 1 154 . 2 1 1 A 21 21 PHE N N 21 117.358 121.538 -4.180 1 1 155 . 2 1 1 A 21 21 PHE H H 21 8.245 8.985 -0.740 1 1 156 . 2 1 1 A 21 21 PHE CA C 21 57.360 56.439 0.921 1 1 157 . 2 1 1 A 21 21 PHE HA H 21 4.729 4.934 -0.205 1 1 158 . 2 1 1 A 21 21 PHE CB C 21 42.955 42.257 0.698 1 1 170 . 2 1 1 A 21 21 PHE C C 21 175.256 176.117 -0.861 1 1 172 . 2 1 1 A 22 22 ARG N N 22 120.836 125.145 -4.309 1 1 173 . 2 1 1 A 22 22 ARG H H 22 9.201 9.035 0.166 1 1 174 . 2 1 1 A 22 22 ARG CA C 22 58.190 59.983 -1.793 1 1 175 . 2 1 1 A 22 22 ARG HA H 22 4.325 4.443 -0.118 1 1 176 . 2 1 1 A 22 22 ARG CB C 22 31.236 30.387 0.849 1 1 182 . 2 1 1 A 22 22 ARG C C 22 174.935 175.781 -0.846 1 1 186 . 2 1 1 A 23 23 HIS N N 23 113.110 114.869 -1.759 1 1 187 . 2 1 1 A 23 23 HIS H H 23 7.454 8.099 -0.645 1 1 188 . 2 1 1 A 23 23 HIS CA C 23 54.696 54.709 -0.013 1 1 189 . 2 1 1 A 23 23 HIS HA H 23 5.127 4.800 0.327 1 1 190 . 2 1 1 A 23 23 HIS CB C 23 33.623 32.966 0.657 1 1 196 . 2 1 1 A 23 23 HIS C C 23 175.530 175.363 0.167 1 1 198 . 2 1 1 A 24 24 LEU N N 24 127.638 124.749 2.889 1 1 199 . 2 1 1 A 24 24 LEU H H 24 8.521 8.173 0.348 1 1 200 . 2 1 1 A 24 24 LEU CA C 24 57.706 57.822 -0.116 1 1 201 . 2 1 1 A 24 24 LEU HA H 24 3.365 3.700 -0.335 1 1 202 . 2 1 1 A 24 24 LEU CB C 24 41.255 41.024 0.231 1 1 214 . 2 1 1 A 24 24 LEU C C 24 178.985 178.291 0.694 1 1 216 . 2 1 1 A 25 25 GLN N N 25 116.917 116.749 0.168 1 1 217 . 2 1 1 A 25 25 GLN H H 25 9.292 8.030 1.262 1 1 218 . 2 1 1 A 25 25 GLN CA C 25 59.059 58.148 0.911 1 1 219 . 2 1 1 A 25 25 GLN HA H 25 3.908 4.052 -0.144 1 1 220 . 2 1 1 A 25 25 GLN CB C 25 27.816 28.243 -0.427 1 1 227 . 2 1 1 A 25 25 GLN C C 25 177.986 177.657 0.329 1 1 230 . 2 1 1 A 26 26 THR N N 26 114.926 116.789 -1.863 1 1 231 . 2 1 1 A 26 26 THR H H 26 7.057 7.654 -0.597 1 1 232 . 2 1 1 A 26 26 THR CA C 26 64.923 66.939 -2.016 1 1 233 . 2 1 1 A 26 26 THR HA H 26 3.955 3.971 -0.016 1 1 234 . 2 1 1 A 26 26 THR CB C 26 67.976 68.667 -0.691 1 1 240 . 2 1 1 A 26 26 THR C C 26 176.674 176.243 0.431 1 1 241 . 2 1 1 A 27 27 LEU N N 27 123.660 121.293 2.367 1 1 242 . 2 1 1 A 27 27 LEU H H 27 7.152 8.166 -1.014 1 1 243 . 2 1 1 A 27 27 LEU CA C 27 58.092 58.220 -0.128 1 1 244 . 2 1 1 A 27 27 LEU HA H 27 3.244 3.027 0.217 1 1 245 . 2 1 1 A 27 27 LEU CB C 27 39.898 41.452 -1.554 1 1 257 . 2 1 1 A 27 27 LEU C C 27 177.543 178.580 -1.037 1 1 259 . 2 1 1 A 28 28 LYS N N 28 117.443 118.716 -1.273 1 1 260 . 2 1 1 A 28 28 LYS H H 28 8.333 8.167 0.166 1 1 261 . 2 1 1 A 28 28 LYS CA C 28 60.192 58.976 1.216 1 1 262 . 2 1 1 A 28 28 LYS HA H 28 3.846 3.976 -0.130 1 1 263 . 2 1 1 A 28 28 LYS CB C 28 31.791 32.277 -0.486 1 1 271 . 2 1 1 A 28 28 LYS C C 28 179.540 178.013 1.527 1 1 276 . 2 1 1 A 29 29 SER N N 29 113.365 115.293 -1.928 1 1 277 . 2 1 1 A 29 29 SER H H 29 7.689 7.700 -0.011 1 1 278 . 2 1 1 A 29 29 SER CA C 29 61.437 60.690 0.747 1 1 279 . 2 1 1 A 29 29 SER HA H 29 4.180 4.266 -0.086 1 1 280 . 2 1 1 A 29 29 SER CB C 29 62.744 62.919 -0.175 1 1 282 . 2 1 1 A 29 29 SER C C 29 176.740 177.190 -0.450 1 1 284 . 2 1 1 A 30 30 HIS N N 30 123.202 121.566 1.636 1 1 285 . 2 1 1 A 30 30 HIS H H 30 7.860 7.959 -0.099 1 1 286 . 2 1 1 A 30 30 HIS CA C 30 59.371 58.129 1.242 1 1 287 . 2 1 1 A 30 30 HIS HA H 30 4.185 4.163 0.022 1 1 288 . 2 1 1 A 30 30 HIS CB C 30 28.178 29.953 -1.775 1 1 294 . 2 1 1 A 30 30 HIS C C 30 176.119 176.764 -0.645 1 1 296 . 2 1 1 A 31 31 LEU N N 31 117.061 119.102 -2.041 1 1 297 . 2 1 1 A 31 31 LEU H H 31 8.307 7.417 0.890 1 1 298 . 2 1 1 A 31 31 LEU CA C 31 58.168 55.819 2.349 1 1 299 . 2 1 1 A 31 31 LEU HA H 31 3.836 4.059 -0.223 1 1 300 . 2 1 1 A 31 31 LEU CB C 31 42.239 41.417 0.822 1 1 312 . 2 1 1 A 31 31 LEU C C 31 178.830 178.044 0.786 1 1 314 . 2 1 1 A 32 32 ARG N N 32 116.244 119.601 -3.357 1 1 315 . 2 1 1 A 32 32 ARG H H 32 7.111 7.475 -0.364 1 1 316 . 2 1 1 A 32 32 ARG CA C 32 58.407 58.933 -0.526 1 1 317 . 2 1 1 A 32 32 ARG HA H 32 4.107 3.985 0.122 1 1 318 . 2 1 1 A 32 32 ARG CB C 32 30.079 29.692 0.387 1 1 324 . 2 1 1 A 32 32 ARG C C 32 178.721 178.532 0.189 1 1 328 . 2 1 1 A 33 33 ILE N N 33 116.545 115.554 0.991 1 1 329 . 2 1 1 A 33 33 ILE H H 33 7.956 6.942 1.014 1 1 330 . 2 1 1 A 33 33 ILE CA C 33 63.045 63.571 -0.526 1 1 331 . 2 1 1 A 33 33 ILE HA H 33 4.000 3.916 0.084 1 1 332 . 2 1 1 A 33 33 ILE CB C 33 37.627 37.262 0.365 1 1 344 . 2 1 1 A 33 33 ILE C C 33 177.439 178.013 -0.574 1 1 346 . 2 1 1 A 34 34 HIS N N 34 117.690 119.404 -1.714 1 1 347 . 2 1 1 A 34 34 HIS H H 34 7.296 7.501 -0.205 1 1 348 . 2 1 1 A 34 34 HIS CA C 34 55.177 58.700 -3.523 1 1 349 . 2 1 1 A 34 34 HIS HA H 34 4.881 4.389 0.492 1 1 350 . 2 1 1 A 34 34 HIS CB C 34 28.970 30.930 -1.960 1 1 356 . 2 1 1 A 34 34 HIS C C 34 175.551 175.355 0.196 1 1 358 . 2 1 1 A 35 35 THR N N 35 112.173 112.227 -0.054 1 1 359 . 2 1 1 A 35 35 THR H H 35 7.832 7.823 0.009 1 1 360 . 2 1 1 A 35 35 THR CA C 35 62.557 59.758 2.799 1 1 361 . 2 1 1 A 35 35 THR HA H 35 4.368 4.715 -0.347 1 1 362 . 2 1 1 A 35 35 THR CB C 35 69.896 70.871 -0.975 1 1 368 . 2 1 1 A 35 35 THR C C 35 175.372 173.085 2.287 1 1 369 . 2 1 1 A 36 36 GLY N N 36 111.215 115.114 -3.899 1 1 370 . 2 1 1 A 36 36 GLY H H 36 8.360 8.768 -0.408 1 1 371 . 2 1 1 A 36 36 GLY CA C 36 45.502 44.956 0.546 1 1 372 . 2 1 1 A 36 36 GLY HA3 H 36 3.915 4.395 -0.480 1 1 373 . 2 1 1 A 36 36 GLY C C 36 174.238 171.897 2.341 1 1 374 . 2 1 1 A 36 36 GLY HA2 H 36 4.055 4.395 -0.340 1 1 375 . 2 1 1 A 37 37 SER N N 37 115.499 115.766 -0.267 1 1 376 . 2 1 1 A 37 37 SER H H 37 8.243 8.646 -0.403 1 1 377 . 2 1 1 A 37 37 SER CA C 37 58.511 56.602 1.909 1 1 378 . 2 1 1 A 37 37 SER HA H 37 4.504 4.785 -0.281 1 1 379 . 2 1 1 A 37 37 SER CB C 37 63.971 64.214 -0.243 1 1 381 . 2 1 1 A 37 37 SER C C 37 174.565 174.010 0.555 1 1 383 . 2 1 1 A 38 38 GLY N N 38 110.692 115.983 -5.291 1 1 384 . 2 1 1 A 38 38 GLY H H 38 8.325 8.335 -0.010 1 1 385 . 2 1 1 A 38 38 GLY CA C 38 44.654 44.621 0.033 1 1 386 . 2 1 1 A 38 38 GLY HA3 H 38 4.157 4.155 0.002 1 1 387 . 2 1 1 A 38 38 GLY C C 38 171.814 173.216 -1.402 1 1 388 . 2 1 1 A 38 38 GLY HA2 H 38 4.109 4.154 -0.045 1 1 389 . 2 1 1 A 39 39 PRO CA C 39 63.274 62.734 0.540 1 1 390 . 2 1 1 A 39 39 PRO HA H 39 4.483 4.756 -0.273 1 1 391 . 2 1 1 A 39 39 PRO CB C 39 32.251 31.532 0.719 1 1 397 . 2 1 1 A 39 39 PRO C C 39 177.359 175.375 1.984 1 1 401 . 2 1 1 A 40 40 SER N N 40 116.333 118.864 -2.531 1 1 402 . 2 1 1 A 40 40 SER H H 40 8.515 8.628 -0.113 1 1 1 . 3 1 1 A 7 7 GLY CA C 7 45.530 44.662 0.868 1 1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.930 4.057 -0.127 1 1 3 . 3 1 1 A 7 7 GLY C C 7 174.617 173.809 0.808 1 1 4 . 3 1 1 A 7 7 GLY HA2 H 7 3.930 4.053 -0.123 1 1 5 . 3 1 1 A 8 8 GLY N N 8 108.339 109.956 -1.617 1 1 6 . 3 1 1 A 8 8 GLY H H 8 8.199 8.403 -0.204 1 1 7 . 3 1 1 A 8 8 GLY CA C 8 45.038 44.719 0.319 1 1 8 . 3 1 1 A 8 8 GLY HA3 H 8 3.917 4.247 -0.330 1 1 9 . 3 1 1 A 8 8 GLY C C 8 174.079 175.115 -1.036 1 1 10 . 3 1 1 A 8 8 GLY HA2 H 8 3.917 4.231 -0.314 1 1 11 . 3 1 1 A 9 9 GLU N N 9 120.351 122.048 -1.697 1 1 12 . 3 1 1 A 9 9 GLU H H 9 8.357 9.013 -0.656 1 1 13 . 3 1 1 A 9 9 GLU CA C 9 57.060 59.699 -2.639 1 1 14 . 3 1 1 A 9 9 GLU HA H 9 4.129 3.973 0.156 1 1 15 . 3 1 1 A 9 9 GLU CB C 9 30.173 29.447 0.726 1 1 18 . 3 1 1 A 9 9 GLU C C 9 176.341 176.595 -0.254 1 1 21 . 3 1 1 A 10 10 LYS N N 10 121.224 115.563 5.661 1 1 22 . 3 1 1 A 10 10 LYS H H 10 8.294 7.881 0.413 1 1 23 . 3 1 1 A 10 10 LYS CA C 10 53.746 56.998 -3.252 1 1 24 . 3 1 1 A 10 10 LYS HA H 10 4.434 4.490 -0.056 1 1 25 . 3 1 1 A 10 10 LYS CB C 10 33.720 30.377 3.343 1 1 33 . 3 1 1 A 10 10 LYS C C 10 174.180 177.069 -2.889 1 1 38 . 3 1 1 A 11 11 PRO CA C 11 63.617 64.435 -0.818 1 1 39 . 3 1 1 A 11 11 PRO HA H 11 4.269 4.433 -0.164 1 1 40 . 3 1 1 A 11 11 PRO CB C 11 32.493 31.702 0.791 1 1 46 . 3 1 1 A 11 11 PRO C C 11 176.062 175.767 0.295 1 1 50 . 3 1 1 A 12 12 TYR N N 12 116.760 118.588 -1.828 1 1 51 . 3 1 1 A 12 12 TYR H H 12 7.803 7.892 -0.089 1 1 52 . 3 1 1 A 12 12 TYR CA C 12 55.382 55.209 0.173 1 1 53 . 3 1 1 A 12 12 TYR HA H 12 5.090 5.043 0.047 1 1 54 . 3 1 1 A 12 12 TYR CB C 12 39.070 38.845 0.225 1 1 64 . 3 1 1 A 12 12 TYR C C 12 173.946 173.513 0.433 1 1 66 . 3 1 1 A 13 13 PRO CA C 13 61.323 63.196 -1.873 1 1 67 . 3 1 1 A 13 13 PRO HA H 13 4.946 4.628 0.318 1 1 68 . 3 1 1 A 13 13 PRO CB C 13 32.343 32.059 0.284 1 1 74 . 3 1 1 A 13 13 PRO C C 13 175.848 176.686 -0.838 1 1 78 . 3 1 1 A 14 14 CYS N N 14 122.803 121.758 1.045 1 1 79 . 3 1 1 A 14 14 CYS H H 14 8.973 8.624 0.349 1 1 80 . 3 1 1 A 14 14 CYS CA C 14 59.241 58.997 0.244 1 1 81 . 3 1 1 A 14 14 CYS HA H 14 4.702 4.692 0.010 1 1 82 . 3 1 1 A 14 14 CYS CB C 14 29.646 28.833 0.813 1 1 84 . 3 1 1 A 14 14 CYS C C 14 178.137 174.847 3.290 1 1 86 . 3 1 1 A 15 15 GLU N N 15 132.218 124.670 7.548 1 1 87 . 3 1 1 A 15 15 GLU H H 15 9.723 8.877 0.846 1 1 88 . 3 1 1 A 15 15 GLU CA C 15 58.506 57.927 0.579 1 1 89 . 3 1 1 A 15 15 GLU HA H 15 4.186 4.328 -0.142 1 1 90 . 3 1 1 A 15 15 GLU CB C 15 29.648 30.220 -0.572 1 1 94 . 3 1 1 A 15 15 GLU C C 15 176.120 178.883 -2.763 1 1 97 . 3 1 1 A 16 16 ILE N N 16 121.803 119.909 1.894 1 1 98 . 3 1 1 A 16 16 ILE H H 16 8.900 7.645 1.255 1 1 99 . 3 1 1 A 16 16 ILE CA C 16 63.455 65.244 -1.789 1 1 100 . 3 1 1 A 16 16 ILE HA H 16 3.890 3.430 0.460 1 1 101 . 3 1 1 A 16 16 ILE CB C 16 38.217 37.111 1.106 1 1 113 . 3 1 1 A 16 16 ILE C C 16 177.134 177.882 -0.748 1 1 115 . 3 1 1 A 17 17 CYS N N 17 117.174 115.936 1.238 1 1 116 . 3 1 1 A 17 17 CYS H H 17 8.560 7.192 1.368 1 1 117 . 3 1 1 A 17 17 CYS CA C 17 58.390 59.751 -1.361 1 1 118 . 3 1 1 A 17 17 CYS HA H 17 5.177 4.502 0.675 1 1 119 . 3 1 1 A 17 17 CYS CB C 17 32.618 29.290 3.328 1 1 121 . 3 1 1 A 17 17 CYS C C 17 176.615 175.274 1.341 1 1 123 . 3 1 1 A 18 18 GLY N N 18 113.492 109.583 3.909 1 1 124 . 3 1 1 A 18 18 GLY H H 18 8.159 8.017 0.142 1 1 125 . 3 1 1 A 18 18 GLY CA C 18 46.223 45.359 0.864 1 1 126 . 3 1 1 A 18 18 GLY HA3 H 18 4.282 4.094 0.188 1 1 127 . 3 1 1 A 18 18 GLY C C 18 174.098 174.813 -0.715 1 1 128 . 3 1 1 A 18 18 GLY HA2 H 18 3.827 4.077 -0.250 1 1 129 . 3 1 1 A 19 19 THR N N 19 120.008 116.012 3.996 1 1 130 . 3 1 1 A 19 19 THR H H 19 7.989 7.493 0.496 1 1 131 . 3 1 1 A 19 19 THR CA C 19 64.755 63.778 0.977 1 1 132 . 3 1 1 A 19 19 THR HA H 19 3.921 4.176 -0.255 1 1 133 . 3 1 1 A 19 19 THR CB C 19 68.607 69.406 -0.799 1 1 139 . 3 1 1 A 19 19 THR C C 19 171.898 173.886 -1.988 1 1 140 . 3 1 1 A 20 20 ARG N N 20 123.158 127.399 -4.241 1 1 141 . 3 1 1 A 20 20 ARG H H 20 8.057 8.564 -0.507 1 1 142 . 3 1 1 A 20 20 ARG CA C 20 55.128 56.095 -0.967 1 1 143 . 3 1 1 A 20 20 ARG HA H 20 4.787 4.889 -0.102 1 1 144 . 3 1 1 A 20 20 ARG CB C 20 33.459 32.153 1.306 1 1 150 . 3 1 1 A 20 20 ARG C C 20 174.806 175.624 -0.818 1 1 154 . 3 1 1 A 21 21 PHE N N 21 117.358 119.395 -2.037 1 1 155 . 3 1 1 A 21 21 PHE H H 21 8.245 8.530 -0.285 1 1 156 . 3 1 1 A 21 21 PHE CA C 21 57.360 56.363 0.997 1 1 157 . 3 1 1 A 21 21 PHE HA H 21 4.729 4.988 -0.259 1 1 158 . 3 1 1 A 21 21 PHE CB C 21 42.955 42.155 0.800 1 1 170 . 3 1 1 A 21 21 PHE C C 21 175.256 176.073 -0.817 1 1 172 . 3 1 1 A 22 22 ARG N N 22 120.836 123.535 -2.699 1 1 173 . 3 1 1 A 22 22 ARG H H 22 9.201 8.756 0.445 1 1 174 . 3 1 1 A 22 22 ARG CA C 22 58.190 58.778 -0.588 1 1 175 . 3 1 1 A 22 22 ARG HA H 22 4.325 4.212 0.113 1 1 176 . 3 1 1 A 22 22 ARG CB C 22 31.236 30.089 1.147 1 1 182 . 3 1 1 A 22 22 ARG C C 22 174.935 176.618 -1.683 1 1 186 . 3 1 1 A 23 23 HIS N N 23 113.110 118.050 -4.940 1 1 187 . 3 1 1 A 23 23 HIS H H 23 7.454 8.162 -0.708 1 1 188 . 3 1 1 A 23 23 HIS CA C 23 54.696 54.728 -0.032 1 1 189 . 3 1 1 A 23 23 HIS HA H 23 5.127 4.938 0.189 1 1 190 . 3 1 1 A 23 23 HIS CB C 23 33.623 33.160 0.463 1 1 196 . 3 1 1 A 23 23 HIS C C 23 175.530 175.449 0.081 1 1 198 . 3 1 1 A 24 24 LEU N N 24 127.638 124.976 2.662 1 1 199 . 3 1 1 A 24 24 LEU H H 24 8.521 8.474 0.047 1 1 200 . 3 1 1 A 24 24 LEU CA C 24 57.706 57.755 -0.049 1 1 201 . 3 1 1 A 24 24 LEU HA H 24 3.365 3.688 -0.323 1 1 202 . 3 1 1 A 24 24 LEU CB C 24 41.255 41.319 -0.064 1 1 214 . 3 1 1 A 24 24 LEU C C 24 178.985 178.137 0.848 1 1 216 . 3 1 1 A 25 25 GLN N N 25 116.917 116.889 0.028 1 1 217 . 3 1 1 A 25 25 GLN H H 25 9.292 7.980 1.312 1 1 218 . 3 1 1 A 25 25 GLN CA C 25 59.059 58.090 0.969 1 1 219 . 3 1 1 A 25 25 GLN HA H 25 3.908 4.054 -0.146 1 1 220 . 3 1 1 A 25 25 GLN CB C 25 27.816 28.365 -0.549 1 1 227 . 3 1 1 A 25 25 GLN C C 25 177.986 177.664 0.322 1 1 230 . 3 1 1 A 26 26 THR N N 26 114.926 116.759 -1.833 1 1 231 . 3 1 1 A 26 26 THR H H 26 7.057 8.043 -0.986 1 1 232 . 3 1 1 A 26 26 THR CA C 26 64.923 67.245 -2.322 1 1 233 . 3 1 1 A 26 26 THR HA H 26 3.955 3.903 0.052 1 1 234 . 3 1 1 A 26 26 THR CB C 26 67.976 68.902 -0.926 1 1 240 . 3 1 1 A 26 26 THR C C 26 176.674 175.957 0.717 1 1 241 . 3 1 1 A 27 27 LEU N N 27 123.660 120.930 2.730 1 1 242 . 3 1 1 A 27 27 LEU H H 27 7.152 7.831 -0.679 1 1 243 . 3 1 1 A 27 27 LEU CA C 27 58.092 58.017 0.075 1 1 244 . 3 1 1 A 27 27 LEU HA H 27 3.244 2.961 0.283 1 1 245 . 3 1 1 A 27 27 LEU CB C 27 39.898 41.308 -1.410 1 1 257 . 3 1 1 A 27 27 LEU C C 27 177.543 178.502 -0.959 1 1 259 . 3 1 1 A 28 28 LYS N N 28 117.443 118.683 -1.240 1 1 260 . 3 1 1 A 28 28 LYS H H 28 8.333 8.131 0.202 1 1 261 . 3 1 1 A 28 28 LYS CA C 28 60.192 59.382 0.810 1 1 262 . 3 1 1 A 28 28 LYS HA H 28 3.846 3.910 -0.064 1 1 263 . 3 1 1 A 28 28 LYS CB C 28 31.791 32.187 -0.396 1 1 271 . 3 1 1 A 28 28 LYS C C 28 179.540 179.387 0.153 1 1 276 . 3 1 1 A 29 29 SER N N 29 113.365 116.419 -3.054 1 1 277 . 3 1 1 A 29 29 SER H H 29 7.689 7.960 -0.271 1 1 278 . 3 1 1 A 29 29 SER CA C 29 61.437 61.972 -0.535 1 1 279 . 3 1 1 A 29 29 SER HA H 29 4.180 4.116 0.064 1 1 280 . 3 1 1 A 29 29 SER CB C 29 62.744 63.008 -0.264 1 1 282 . 3 1 1 A 29 29 SER C C 29 176.740 175.855 0.885 1 1 284 . 3 1 1 A 30 30 HIS N N 30 123.202 122.154 1.048 1 1 285 . 3 1 1 A 30 30 HIS H H 30 7.860 7.785 0.075 1 1 286 . 3 1 1 A 30 30 HIS CA C 30 59.371 59.033 0.338 1 1 287 . 3 1 1 A 30 30 HIS HA H 30 4.185 4.128 0.057 1 1 288 . 3 1 1 A 30 30 HIS CB C 30 28.178 29.639 -1.461 1 1 294 . 3 1 1 A 30 30 HIS C C 30 176.119 177.010 -0.891 1 1 296 . 3 1 1 A 31 31 LEU N N 31 117.061 119.150 -2.089 1 1 297 . 3 1 1 A 31 31 LEU H H 31 8.307 7.577 0.730 1 1 298 . 3 1 1 A 31 31 LEU CA C 31 58.168 56.297 1.871 1 1 299 . 3 1 1 A 31 31 LEU HA H 31 3.836 3.941 -0.105 1 1 300 . 3 1 1 A 31 31 LEU CB C 31 42.239 41.443 0.796 1 1 312 . 3 1 1 A 31 31 LEU C C 31 178.830 177.983 0.847 1 1 314 . 3 1 1 A 32 32 ARG N N 32 116.244 119.335 -3.091 1 1 315 . 3 1 1 A 32 32 ARG H H 32 7.111 8.362 -1.251 1 1 316 . 3 1 1 A 32 32 ARG CA C 32 58.407 59.620 -1.213 1 1 317 . 3 1 1 A 32 32 ARG HA H 32 4.107 4.028 0.079 1 1 318 . 3 1 1 A 32 32 ARG CB C 32 30.079 29.824 0.255 1 1 324 . 3 1 1 A 32 32 ARG C C 32 178.721 179.239 -0.518 1 1 328 . 3 1 1 A 33 33 ILE N N 33 116.545 117.593 -1.048 1 1 329 . 3 1 1 A 33 33 ILE H H 33 7.956 7.607 0.349 1 1 330 . 3 1 1 A 33 33 ILE CA C 33 63.045 63.521 -0.476 1 1 331 . 3 1 1 A 33 33 ILE HA H 33 4.000 3.765 0.235 1 1 332 . 3 1 1 A 33 33 ILE CB C 33 37.627 37.263 0.364 1 1 344 . 3 1 1 A 33 33 ILE C C 33 177.439 177.998 -0.559 1 1 346 . 3 1 1 A 34 34 HIS N N 34 117.690 119.389 -1.699 1 1 347 . 3 1 1 A 34 34 HIS H H 34 7.296 7.344 -0.048 1 1 348 . 3 1 1 A 34 34 HIS CA C 34 55.177 58.989 -3.812 1 1 349 . 3 1 1 A 34 34 HIS HA H 34 4.881 4.365 0.516 1 1 350 . 3 1 1 A 34 34 HIS CB C 34 28.970 30.432 -1.462 1 1 356 . 3 1 1 A 34 34 HIS C C 34 175.551 175.867 -0.316 1 1 358 . 3 1 1 A 35 35 THR N N 35 112.173 112.322 -0.149 1 1 359 . 3 1 1 A 35 35 THR H H 35 7.832 8.253 -0.421 1 1 360 . 3 1 1 A 35 35 THR CA C 35 62.557 62.692 -0.135 1 1 361 . 3 1 1 A 35 35 THR HA H 35 4.368 4.177 0.191 1 1 362 . 3 1 1 A 35 35 THR CB C 35 69.896 69.790 0.106 1 1 368 . 3 1 1 A 35 35 THR C C 35 175.372 175.612 -0.240 1 1 369 . 3 1 1 A 36 36 GLY N N 36 111.215 116.681 -5.466 1 1 370 . 3 1 1 A 36 36 GLY H H 36 8.360 8.931 -0.571 1 1 371 . 3 1 1 A 36 36 GLY CA C 36 45.502 45.584 -0.082 1 1 372 . 3 1 1 A 36 36 GLY HA3 H 36 3.915 3.995 -0.080 1 1 373 . 3 1 1 A 36 36 GLY C C 36 174.238 174.667 -0.429 1 1 374 . 3 1 1 A 36 36 GLY HA2 H 36 4.055 3.991 0.064 1 1 375 . 3 1 1 A 37 37 SER N N 37 115.499 116.937 -1.438 1 1 376 . 3 1 1 A 37 37 SER H H 37 8.243 7.887 0.356 1 1 377 . 3 1 1 A 37 37 SER CA C 37 58.511 58.331 0.180 1 1 378 . 3 1 1 A 37 37 SER HA H 37 4.504 4.595 -0.091 1 1 379 . 3 1 1 A 37 37 SER CB C 37 63.971 64.762 -0.791 1 1 381 . 3 1 1 A 37 37 SER C C 37 174.565 174.851 -0.286 1 1 383 . 3 1 1 A 38 38 GLY N N 38 110.692 109.795 0.897 1 1 384 . 3 1 1 A 38 38 GLY H H 38 8.325 8.414 -0.089 1 1 385 . 3 1 1 A 38 38 GLY CA C 38 44.654 44.790 -0.136 1 1 386 . 3 1 1 A 38 38 GLY HA3 H 38 4.157 4.030 0.127 1 1 387 . 3 1 1 A 38 38 GLY C C 38 171.814 174.213 -2.399 1 1 388 . 3 1 1 A 38 38 GLY HA2 H 38 4.109 4.028 0.081 1 1 389 . 3 1 1 A 39 39 PRO CA C 39 63.274 63.524 -0.250 1 1 390 . 3 1 1 A 39 39 PRO HA H 39 4.483 4.504 -0.021 1 1 391 . 3 1 1 A 39 39 PRO CB C 39 32.251 31.965 0.286 1 1 397 . 3 1 1 A 39 39 PRO C C 39 177.359 176.620 0.739 1 1 401 . 3 1 1 A 40 40 SER N N 40 116.333 112.093 4.240 1 1 402 . 3 1 1 A 40 40 SER H H 40 8.515 8.190 0.325 1 1 1 . 4 1 1 A 7 7 GLY CA C 7 45.530 46.735 -1.205 1 1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.930 3.925 0.005 1 1 3 . 4 1 1 A 7 7 GLY C C 7 174.617 174.825 -0.208 1 1 4 . 4 1 1 A 7 7 GLY HA2 H 7 3.930 3.921 0.009 1 1 5 . 4 1 1 A 8 8 GLY N N 8 108.339 105.947 2.392 1 1 6 . 4 1 1 A 8 8 GLY H H 8 8.199 8.479 -0.280 1 1 7 . 4 1 1 A 8 8 GLY CA C 8 45.038 45.427 -0.389 1 1 8 . 4 1 1 A 8 8 GLY HA3 H 8 3.917 4.169 -0.252 1 1 9 . 4 1 1 A 8 8 GLY C C 8 174.079 174.382 -0.303 1 1 10 . 4 1 1 A 8 8 GLY HA2 H 8 3.917 4.151 -0.234 1 1 11 . 4 1 1 A 9 9 GLU N N 9 120.351 121.538 -1.187 1 1 12 . 4 1 1 A 9 9 GLU H H 9 8.357 8.251 0.106 1 1 13 . 4 1 1 A 9 9 GLU CA C 9 57.060 56.821 0.239 1 1 14 . 4 1 1 A 9 9 GLU HA H 9 4.129 4.286 -0.157 1 1 15 . 4 1 1 A 9 9 GLU CB C 9 30.173 31.091 -0.918 1 1 18 . 4 1 1 A 9 9 GLU C C 9 176.341 176.151 0.190 1 1 21 . 4 1 1 A 10 10 LYS N N 10 121.224 122.890 -1.666 1 1 22 . 4 1 1 A 10 10 LYS H H 10 8.294 8.485 -0.191 1 1 23 . 4 1 1 A 10 10 LYS CA C 10 53.746 53.986 -0.240 1 1 24 . 4 1 1 A 10 10 LYS HA H 10 4.434 5.318 -0.884 1 1 25 . 4 1 1 A 10 10 LYS CB C 10 33.720 32.787 0.933 1 1 33 . 4 1 1 A 10 10 LYS C C 10 174.180 175.304 -1.124 1 1 38 . 4 1 1 A 11 11 PRO CA C 11 63.617 64.056 -0.439 1 1 39 . 4 1 1 A 11 11 PRO HA H 11 4.269 4.440 -0.171 1 1 40 . 4 1 1 A 11 11 PRO CB C 11 32.493 31.240 1.253 1 1 46 . 4 1 1 A 11 11 PRO C C 11 176.062 175.703 0.359 1 1 50 . 4 1 1 A 12 12 TYR N N 12 116.760 118.553 -1.793 1 1 51 . 4 1 1 A 12 12 TYR H H 12 7.803 7.898 -0.095 1 1 52 . 4 1 1 A 12 12 TYR CA C 12 55.382 55.212 0.170 1 1 53 . 4 1 1 A 12 12 TYR HA H 12 5.090 5.051 0.039 1 1 54 . 4 1 1 A 12 12 TYR CB C 12 39.070 38.833 0.237 1 1 64 . 4 1 1 A 12 12 TYR C C 12 173.946 173.463 0.483 1 1 66 . 4 1 1 A 13 13 PRO CA C 13 61.323 63.084 -1.761 1 1 67 . 4 1 1 A 13 13 PRO HA H 13 4.946 4.630 0.316 1 1 68 . 4 1 1 A 13 13 PRO CB C 13 32.343 32.129 0.214 1 1 74 . 4 1 1 A 13 13 PRO C C 13 175.848 176.641 -0.793 1 1 78 . 4 1 1 A 14 14 CYS N N 14 122.803 121.803 1.000 1 1 79 . 4 1 1 A 14 14 CYS H H 14 8.973 8.581 0.392 1 1 80 . 4 1 1 A 14 14 CYS CA C 14 59.241 58.823 0.418 1 1 81 . 4 1 1 A 14 14 CYS HA H 14 4.702 4.816 -0.114 1 1 82 . 4 1 1 A 14 14 CYS CB C 14 29.646 28.945 0.701 1 1 84 . 4 1 1 A 14 14 CYS C C 14 178.137 174.893 3.244 1 1 86 . 4 1 1 A 15 15 GLU N N 15 132.218 124.546 7.672 1 1 87 . 4 1 1 A 15 15 GLU H H 15 9.723 8.893 0.830 1 1 88 . 4 1 1 A 15 15 GLU CA C 15 58.506 57.810 0.696 1 1 89 . 4 1 1 A 15 15 GLU HA H 15 4.186 4.334 -0.148 1 1 90 . 4 1 1 A 15 15 GLU CB C 15 29.648 30.231 -0.583 1 1 94 . 4 1 1 A 15 15 GLU C C 15 176.120 178.861 -2.741 1 1 97 . 4 1 1 A 16 16 ILE N N 16 121.803 119.922 1.881 1 1 98 . 4 1 1 A 16 16 ILE H H 16 8.900 7.685 1.215 1 1 99 . 4 1 1 A 16 16 ILE CA C 16 63.455 65.253 -1.798 1 1 100 . 4 1 1 A 16 16 ILE HA H 16 3.890 3.459 0.431 1 1 101 . 4 1 1 A 16 16 ILE CB C 16 38.217 37.187 1.030 1 1 113 . 4 1 1 A 16 16 ILE C C 16 177.134 177.830 -0.696 1 1 115 . 4 1 1 A 17 17 CYS N N 17 117.174 116.817 0.357 1 1 116 . 4 1 1 A 17 17 CYS H H 17 8.560 7.280 1.280 1 1 117 . 4 1 1 A 17 17 CYS CA C 17 58.390 59.875 -1.485 1 1 118 . 4 1 1 A 17 17 CYS HA H 17 5.177 4.465 0.712 1 1 119 . 4 1 1 A 17 17 CYS CB C 17 32.618 28.907 3.711 1 1 121 . 4 1 1 A 17 17 CYS C C 17 176.615 175.247 1.368 1 1 123 . 4 1 1 A 18 18 GLY N N 18 113.492 109.692 3.800 1 1 124 . 4 1 1 A 18 18 GLY H H 18 8.159 8.025 0.134 1 1 125 . 4 1 1 A 18 18 GLY CA C 18 46.223 45.307 0.916 1 1 126 . 4 1 1 A 18 18 GLY HA3 H 18 4.282 4.097 0.185 1 1 127 . 4 1 1 A 18 18 GLY C C 18 174.098 174.787 -0.689 1 1 128 . 4 1 1 A 18 18 GLY HA2 H 18 3.827 4.078 -0.251 1 1 129 . 4 1 1 A 19 19 THR N N 19 120.008 116.003 4.005 1 1 130 . 4 1 1 A 19 19 THR H H 19 7.989 7.491 0.498 1 1 131 . 4 1 1 A 19 19 THR CA C 19 64.755 63.303 1.452 1 1 132 . 4 1 1 A 19 19 THR HA H 19 3.921 4.172 -0.251 1 1 133 . 4 1 1 A 19 19 THR CB C 19 68.607 69.341 -0.734 1 1 139 . 4 1 1 A 19 19 THR C C 19 171.898 173.881 -1.983 1 1 140 . 4 1 1 A 20 20 ARG N N 20 123.158 126.820 -3.662 1 1 141 . 4 1 1 A 20 20 ARG H H 20 8.057 8.450 -0.393 1 1 142 . 4 1 1 A 20 20 ARG CA C 20 55.128 55.325 -0.197 1 1 143 . 4 1 1 A 20 20 ARG HA H 20 4.787 5.086 -0.299 1 1 144 . 4 1 1 A 20 20 ARG CB C 20 33.459 32.311 1.148 1 1 150 . 4 1 1 A 20 20 ARG C C 20 174.806 175.434 -0.628 1 1 154 . 4 1 1 A 21 21 PHE N N 21 117.358 119.884 -2.526 1 1 155 . 4 1 1 A 21 21 PHE H H 21 8.245 8.729 -0.484 1 1 156 . 4 1 1 A 21 21 PHE CA C 21 57.360 56.399 0.961 1 1 157 . 4 1 1 A 21 21 PHE HA H 21 4.729 4.857 -0.128 1 1 158 . 4 1 1 A 21 21 PHE CB C 21 42.955 42.533 0.422 1 1 170 . 4 1 1 A 21 21 PHE C C 21 175.256 176.068 -0.812 1 1 172 . 4 1 1 A 22 22 ARG N N 22 120.836 122.588 -1.752 1 1 173 . 4 1 1 A 22 22 ARG H H 22 9.201 8.736 0.465 1 1 174 . 4 1 1 A 22 22 ARG CA C 22 58.190 58.988 -0.798 1 1 175 . 4 1 1 A 22 22 ARG HA H 22 4.325 4.595 -0.270 1 1 176 . 4 1 1 A 22 22 ARG CB C 22 31.236 29.831 1.405 1 1 182 . 4 1 1 A 22 22 ARG C C 22 174.935 176.365 -1.430 1 1 186 . 4 1 1 A 23 23 HIS N N 23 113.110 116.358 -3.248 1 1 187 . 4 1 1 A 23 23 HIS H H 23 7.454 8.252 -0.798 1 1 188 . 4 1 1 A 23 23 HIS CA C 23 54.696 55.099 -0.403 1 1 189 . 4 1 1 A 23 23 HIS HA H 23 5.127 4.929 0.198 1 1 190 . 4 1 1 A 23 23 HIS CB C 23 33.623 32.422 1.201 1 1 196 . 4 1 1 A 23 23 HIS C C 23 175.530 175.359 0.171 1 1 198 . 4 1 1 A 24 24 LEU N N 24 127.638 124.713 2.925 1 1 199 . 4 1 1 A 24 24 LEU H H 24 8.521 8.373 0.148 1 1 200 . 4 1 1 A 24 24 LEU CA C 24 57.706 57.691 0.015 1 1 201 . 4 1 1 A 24 24 LEU HA H 24 3.365 3.603 -0.238 1 1 202 . 4 1 1 A 24 24 LEU CB C 24 41.255 41.388 -0.133 1 1 214 . 4 1 1 A 24 24 LEU C C 24 178.985 178.150 0.835 1 1 216 . 4 1 1 A 25 25 GLN N N 25 116.917 117.024 -0.107 1 1 217 . 4 1 1 A 25 25 GLN H H 25 9.292 8.042 1.250 1 1 218 . 4 1 1 A 25 25 GLN CA C 25 59.059 58.270 0.789 1 1 219 . 4 1 1 A 25 25 GLN HA H 25 3.908 4.042 -0.134 1 1 220 . 4 1 1 A 25 25 GLN CB C 25 27.816 28.278 -0.462 1 1 227 . 4 1 1 A 25 25 GLN C C 25 177.986 177.606 0.380 1 1 230 . 4 1 1 A 26 26 THR N N 26 114.926 116.674 -1.748 1 1 231 . 4 1 1 A 26 26 THR H H 26 7.057 7.875 -0.818 1 1 232 . 4 1 1 A 26 26 THR CA C 26 64.923 67.193 -2.270 1 1 233 . 4 1 1 A 26 26 THR HA H 26 3.955 3.917 0.038 1 1 234 . 4 1 1 A 26 26 THR CB C 26 67.976 68.312 -0.336 1 1 240 . 4 1 1 A 26 26 THR C C 26 176.674 175.821 0.853 1 1 241 . 4 1 1 A 27 27 LEU N N 27 123.660 120.799 2.861 1 1 242 . 4 1 1 A 27 27 LEU H H 27 7.152 7.915 -0.763 1 1 243 . 4 1 1 A 27 27 LEU CA C 27 58.092 57.924 0.168 1 1 244 . 4 1 1 A 27 27 LEU HA H 27 3.244 3.071 0.173 1 1 245 . 4 1 1 A 27 27 LEU CB C 27 39.898 41.436 -1.538 1 1 257 . 4 1 1 A 27 27 LEU C C 27 177.543 178.420 -0.877 1 1 259 . 4 1 1 A 28 28 LYS N N 28 117.443 118.743 -1.300 1 1 260 . 4 1 1 A 28 28 LYS H H 28 8.333 7.881 0.452 1 1 261 . 4 1 1 A 28 28 LYS CA C 28 60.192 58.874 1.318 1 1 262 . 4 1 1 A 28 28 LYS HA H 28 3.846 3.973 -0.127 1 1 263 . 4 1 1 A 28 28 LYS CB C 28 31.791 32.094 -0.303 1 1 271 . 4 1 1 A 28 28 LYS C C 28 179.540 178.202 1.338 1 1 276 . 4 1 1 A 29 29 SER N N 29 113.365 116.417 -3.052 1 1 277 . 4 1 1 A 29 29 SER H H 29 7.689 8.141 -0.452 1 1 278 . 4 1 1 A 29 29 SER CA C 29 61.437 60.706 0.731 1 1 279 . 4 1 1 A 29 29 SER HA H 29 4.180 4.294 -0.114 1 1 280 . 4 1 1 A 29 29 SER CB C 29 62.744 63.480 -0.736 1 1 282 . 4 1 1 A 29 29 SER C C 29 176.740 175.922 0.818 1 1 284 . 4 1 1 A 30 30 HIS N N 30 123.202 121.673 1.529 1 1 285 . 4 1 1 A 30 30 HIS H H 30 7.860 7.791 0.069 1 1 286 . 4 1 1 A 30 30 HIS CA C 30 59.371 58.212 1.159 1 1 287 . 4 1 1 A 30 30 HIS HA H 30 4.185 4.142 0.043 1 1 288 . 4 1 1 A 30 30 HIS CB C 30 28.178 29.757 -1.579 1 1 294 . 4 1 1 A 30 30 HIS C C 30 176.119 176.893 -0.774 1 1 296 . 4 1 1 A 31 31 LEU N N 31 117.061 118.995 -1.934 1 1 297 . 4 1 1 A 31 31 LEU H H 31 8.307 7.443 0.864 1 1 298 . 4 1 1 A 31 31 LEU CA C 31 58.168 55.996 2.172 1 1 299 . 4 1 1 A 31 31 LEU HA H 31 3.836 4.011 -0.175 1 1 300 . 4 1 1 A 31 31 LEU CB C 31 42.239 41.236 1.003 1 1 312 . 4 1 1 A 31 31 LEU C C 31 178.830 178.193 0.637 1 1 314 . 4 1 1 A 32 32 ARG N N 32 116.244 119.878 -3.634 1 1 315 . 4 1 1 A 32 32 ARG H H 32 7.111 7.861 -0.750 1 1 316 . 4 1 1 A 32 32 ARG CA C 32 58.407 59.116 -0.709 1 1 317 . 4 1 1 A 32 32 ARG HA H 32 4.107 3.981 0.126 1 1 318 . 4 1 1 A 32 32 ARG CB C 32 30.079 29.999 0.080 1 1 324 . 4 1 1 A 32 32 ARG C C 32 178.721 179.158 -0.437 1 1 328 . 4 1 1 A 33 33 ILE N N 33 116.545 116.895 -0.350 1 1 329 . 4 1 1 A 33 33 ILE H H 33 7.956 7.113 0.843 1 1 330 . 4 1 1 A 33 33 ILE CA C 33 63.045 63.475 -0.430 1 1 331 . 4 1 1 A 33 33 ILE HA H 33 4.000 3.910 0.090 1 1 332 . 4 1 1 A 33 33 ILE CB C 33 37.627 37.337 0.290 1 1 344 . 4 1 1 A 33 33 ILE C C 33 177.439 178.025 -0.586 1 1 346 . 4 1 1 A 34 34 HIS N N 34 117.690 119.616 -1.926 1 1 347 . 4 1 1 A 34 34 HIS H H 34 7.296 7.426 -0.130 1 1 348 . 4 1 1 A 34 34 HIS CA C 34 55.177 58.640 -3.463 1 1 349 . 4 1 1 A 34 34 HIS HA H 34 4.881 4.356 0.525 1 1 350 . 4 1 1 A 34 34 HIS CB C 34 28.970 30.789 -1.819 1 1 356 . 4 1 1 A 34 34 HIS C C 34 175.551 175.151 0.400 1 1 358 . 4 1 1 A 35 35 THR N N 35 112.173 112.343 -0.170 1 1 359 . 4 1 1 A 35 35 THR H H 35 7.832 7.659 0.173 1 1 360 . 4 1 1 A 35 35 THR CA C 35 62.557 59.647 2.910 1 1 361 . 4 1 1 A 35 35 THR HA H 35 4.368 4.762 -0.394 1 1 362 . 4 1 1 A 35 35 THR CB C 35 69.896 71.552 -1.656 1 1 368 . 4 1 1 A 35 35 THR C C 35 175.372 173.244 2.128 1 1 369 . 4 1 1 A 36 36 GLY N N 36 111.215 114.917 -3.702 1 1 370 . 4 1 1 A 36 36 GLY H H 36 8.360 8.539 -0.179 1 1 371 . 4 1 1 A 36 36 GLY CA C 36 45.502 45.418 0.084 1 1 372 . 4 1 1 A 36 36 GLY HA3 H 36 3.915 4.278 -0.363 1 1 373 . 4 1 1 A 36 36 GLY C C 36 174.238 173.043 1.195 1 1 374 . 4 1 1 A 36 36 GLY HA2 H 36 4.055 4.277 -0.222 1 1 375 . 4 1 1 A 37 37 SER N N 37 115.499 113.602 1.897 1 1 376 . 4 1 1 A 37 37 SER H H 37 8.243 8.590 -0.347 1 1 377 . 4 1 1 A 37 37 SER CA C 37 58.511 58.855 -0.344 1 1 378 . 4 1 1 A 37 37 SER HA H 37 4.504 4.790 -0.286 1 1 379 . 4 1 1 A 37 37 SER CB C 37 63.971 63.232 0.739 1 1 381 . 4 1 1 A 37 37 SER C C 37 174.565 174.598 -0.033 1 1 383 . 4 1 1 A 38 38 GLY N N 38 110.692 112.420 -1.728 1 1 384 . 4 1 1 A 38 38 GLY H H 38 8.325 8.694 -0.369 1 1 385 . 4 1 1 A 38 38 GLY CA C 38 44.654 45.478 -0.824 1 1 386 . 4 1 1 A 38 38 GLY HA3 H 38 4.157 3.955 0.202 1 1 387 . 4 1 1 A 38 38 GLY C C 38 171.814 173.898 -2.084 1 1 388 . 4 1 1 A 38 38 GLY HA2 H 38 4.109 3.954 0.155 1 1 389 . 4 1 1 A 39 39 PRO CA C 39 63.274 62.596 0.678 1 1 390 . 4 1 1 A 39 39 PRO HA H 39 4.483 4.708 -0.225 1 1 391 . 4 1 1 A 39 39 PRO CB C 39 32.251 32.030 0.221 1 1 397 . 4 1 1 A 39 39 PRO C C 39 177.359 176.641 0.718 1 1 401 . 4 1 1 A 40 40 SER N N 40 116.333 118.355 -2.022 1 1 402 . 4 1 1 A 40 40 SER H H 40 8.515 8.800 -0.285 1 1 1 . 5 1 1 A 7 7 GLY CA C 7 45.530 44.441 1.089 1 1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.930 4.154 -0.224 1 1 3 . 5 1 1 A 7 7 GLY C C 7 174.617 175.041 -0.424 1 1 4 . 5 1 1 A 7 7 GLY HA2 H 7 3.930 4.152 -0.222 1 1 5 . 5 1 1 A 8 8 GLY N N 8 108.339 110.573 -2.234 1 1 6 . 5 1 1 A 8 8 GLY H H 8 8.199 8.666 -0.467 1 1 7 . 5 1 1 A 8 8 GLY CA C 8 45.038 44.991 0.047 1 1 8 . 5 1 1 A 8 8 GLY HA3 H 8 3.917 4.041 -0.124 1 1 9 . 5 1 1 A 8 8 GLY C C 8 174.079 172.995 1.084 1 1 10 . 5 1 1 A 8 8 GLY HA2 H 8 3.917 4.033 -0.116 1 1 11 . 5 1 1 A 9 9 GLU N N 9 120.351 115.910 4.441 1 1 12 . 5 1 1 A 9 9 GLU H H 9 8.357 8.331 0.026 1 1 13 . 5 1 1 A 9 9 GLU CA C 9 57.060 55.022 2.038 1 1 14 . 5 1 1 A 9 9 GLU HA H 9 4.129 4.998 -0.869 1 1 15 . 5 1 1 A 9 9 GLU CB C 9 30.173 33.250 -3.077 1 1 18 . 5 1 1 A 9 9 GLU C C 9 176.341 174.059 2.282 1 1 21 . 5 1 1 A 10 10 LYS N N 10 121.224 123.505 -2.281 1 1 22 . 5 1 1 A 10 10 LYS H H 10 8.294 8.760 -0.466 1 1 23 . 5 1 1 A 10 10 LYS CA C 10 53.746 53.843 -0.097 1 1 24 . 5 1 1 A 10 10 LYS HA H 10 4.434 5.171 -0.737 1 1 25 . 5 1 1 A 10 10 LYS CB C 10 33.720 32.934 0.786 1 1 33 . 5 1 1 A 10 10 LYS C C 10 174.180 175.287 -1.107 1 1 38 . 5 1 1 A 11 11 PRO CA C 11 63.617 64.015 -0.398 1 1 39 . 5 1 1 A 11 11 PRO HA H 11 4.269 4.430 -0.161 1 1 40 . 5 1 1 A 11 11 PRO CB C 11 32.493 31.223 1.270 1 1 46 . 5 1 1 A 11 11 PRO C C 11 176.062 175.689 0.373 1 1 50 . 5 1 1 A 12 12 TYR N N 12 116.760 118.538 -1.778 1 1 51 . 5 1 1 A 12 12 TYR H H 12 7.803 7.882 -0.079 1 1 52 . 5 1 1 A 12 12 TYR CA C 12 55.382 55.088 0.294 1 1 53 . 5 1 1 A 12 12 TYR HA H 12 5.090 5.043 0.047 1 1 54 . 5 1 1 A 12 12 TYR CB C 12 39.070 38.782 0.288 1 1 64 . 5 1 1 A 12 12 TYR C C 12 173.946 173.359 0.587 1 1 66 . 5 1 1 A 13 13 PRO CA C 13 61.323 63.158 -1.835 1 1 67 . 5 1 1 A 13 13 PRO HA H 13 4.946 4.591 0.355 1 1 68 . 5 1 1 A 13 13 PRO CB C 13 32.343 32.148 0.195 1 1 74 . 5 1 1 A 13 13 PRO C C 13 175.848 176.722 -0.874 1 1 78 . 5 1 1 A 14 14 CYS N N 14 122.803 121.891 0.912 1 1 79 . 5 1 1 A 14 14 CYS H H 14 8.973 8.764 0.209 1 1 80 . 5 1 1 A 14 14 CYS CA C 14 59.241 59.085 0.156 1 1 81 . 5 1 1 A 14 14 CYS HA H 14 4.702 4.713 -0.011 1 1 82 . 5 1 1 A 14 14 CYS CB C 14 29.646 28.913 0.733 1 1 84 . 5 1 1 A 14 14 CYS C C 14 178.137 174.782 3.355 1 1 86 . 5 1 1 A 15 15 GLU N N 15 132.218 124.067 8.151 1 1 87 . 5 1 1 A 15 15 GLU H H 15 9.723 8.948 0.775 1 1 88 . 5 1 1 A 15 15 GLU CA C 15 58.506 57.757 0.749 1 1 89 . 5 1 1 A 15 15 GLU HA H 15 4.186 4.356 -0.170 1 1 90 . 5 1 1 A 15 15 GLU CB C 15 29.648 30.231 -0.583 1 1 94 . 5 1 1 A 15 15 GLU C C 15 176.120 179.001 -2.881 1 1 97 . 5 1 1 A 16 16 ILE N N 16 121.803 119.916 1.887 1 1 98 . 5 1 1 A 16 16 ILE H H 16 8.900 7.682 1.218 1 1 99 . 5 1 1 A 16 16 ILE CA C 16 63.455 65.226 -1.771 1 1 100 . 5 1 1 A 16 16 ILE HA H 16 3.890 3.442 0.448 1 1 101 . 5 1 1 A 16 16 ILE CB C 16 38.217 37.090 1.127 1 1 113 . 5 1 1 A 16 16 ILE C C 16 177.134 177.815 -0.681 1 1 115 . 5 1 1 A 17 17 CYS N N 17 117.174 116.812 0.362 1 1 116 . 5 1 1 A 17 17 CYS H H 17 8.560 7.294 1.266 1 1 117 . 5 1 1 A 17 17 CYS CA C 17 58.390 59.878 -1.488 1 1 118 . 5 1 1 A 17 17 CYS HA H 17 5.177 4.465 0.712 1 1 119 . 5 1 1 A 17 17 CYS CB C 17 32.618 28.871 3.747 1 1 121 . 5 1 1 A 17 17 CYS C C 17 176.615 175.243 1.372 1 1 123 . 5 1 1 A 18 18 GLY N N 18 113.492 109.638 3.854 1 1 124 . 5 1 1 A 18 18 GLY H H 18 8.159 8.018 0.141 1 1 125 . 5 1 1 A 18 18 GLY CA C 18 46.223 45.278 0.945 1 1 126 . 5 1 1 A 18 18 GLY HA3 H 18 4.282 4.093 0.189 1 1 127 . 5 1 1 A 18 18 GLY C C 18 174.098 174.780 -0.682 1 1 128 . 5 1 1 A 18 18 GLY HA2 H 18 3.827 4.075 -0.248 1 1 129 . 5 1 1 A 19 19 THR N N 19 120.008 116.064 3.944 1 1 130 . 5 1 1 A 19 19 THR H H 19 7.989 7.449 0.540 1 1 131 . 5 1 1 A 19 19 THR CA C 19 64.755 63.305 1.450 1 1 132 . 5 1 1 A 19 19 THR HA H 19 3.921 4.164 -0.243 1 1 133 . 5 1 1 A 19 19 THR CB C 19 68.607 69.193 -0.586 1 1 139 . 5 1 1 A 19 19 THR C C 19 171.898 173.948 -2.050 1 1 140 . 5 1 1 A 20 20 ARG N N 20 123.158 127.390 -4.232 1 1 141 . 5 1 1 A 20 20 ARG H H 20 8.057 8.428 -0.371 1 1 142 . 5 1 1 A 20 20 ARG CA C 20 55.128 55.299 -0.171 1 1 143 . 5 1 1 A 20 20 ARG HA H 20 4.787 5.021 -0.234 1 1 144 . 5 1 1 A 20 20 ARG CB C 20 33.459 32.566 0.893 1 1 150 . 5 1 1 A 20 20 ARG C C 20 174.806 175.233 -0.427 1 1 154 . 5 1 1 A 21 21 PHE N N 21 117.358 120.635 -3.277 1 1 155 . 5 1 1 A 21 21 PHE H H 21 8.245 8.833 -0.588 1 1 156 . 5 1 1 A 21 21 PHE CA C 21 57.360 56.436 0.924 1 1 157 . 5 1 1 A 21 21 PHE HA H 21 4.729 4.808 -0.079 1 1 158 . 5 1 1 A 21 21 PHE CB C 21 42.955 42.071 0.884 1 1 170 . 5 1 1 A 21 21 PHE C C 21 175.256 175.978 -0.722 1 1 172 . 5 1 1 A 22 22 ARG N N 22 120.836 125.357 -4.521 1 1 173 . 5 1 1 A 22 22 ARG H H 22 9.201 9.040 0.161 1 1 174 . 5 1 1 A 22 22 ARG CA C 22 58.190 59.991 -1.801 1 1 175 . 5 1 1 A 22 22 ARG HA H 22 4.325 4.449 -0.124 1 1 176 . 5 1 1 A 22 22 ARG CB C 22 31.236 30.399 0.837 1 1 182 . 5 1 1 A 22 22 ARG C C 22 174.935 175.689 -0.754 1 1 186 . 5 1 1 A 23 23 HIS N N 23 113.110 114.748 -1.638 1 1 187 . 5 1 1 A 23 23 HIS H H 23 7.454 8.154 -0.700 1 1 188 . 5 1 1 A 23 23 HIS CA C 23 54.696 54.708 -0.012 1 1 189 . 5 1 1 A 23 23 HIS HA H 23 5.127 4.870 0.257 1 1 190 . 5 1 1 A 23 23 HIS CB C 23 33.623 32.660 0.963 1 1 196 . 5 1 1 A 23 23 HIS C C 23 175.530 175.231 0.299 1 1 198 . 5 1 1 A 24 24 LEU N N 24 127.638 124.970 2.668 1 1 199 . 5 1 1 A 24 24 LEU H H 24 8.521 8.226 0.295 1 1 200 . 5 1 1 A 24 24 LEU CA C 24 57.706 57.925 -0.219 1 1 201 . 5 1 1 A 24 24 LEU HA H 24 3.365 3.680 -0.315 1 1 202 . 5 1 1 A 24 24 LEU CB C 24 41.255 41.077 0.178 1 1 214 . 5 1 1 A 24 24 LEU C C 24 178.985 178.191 0.794 1 1 216 . 5 1 1 A 25 25 GLN N N 25 116.917 116.587 0.330 1 1 217 . 5 1 1 A 25 25 GLN H H 25 9.292 8.047 1.245 1 1 218 . 5 1 1 A 25 25 GLN CA C 25 59.059 58.098 0.961 1 1 219 . 5 1 1 A 25 25 GLN HA H 25 3.908 4.065 -0.157 1 1 220 . 5 1 1 A 25 25 GLN CB C 25 27.816 28.179 -0.363 1 1 227 . 5 1 1 A 25 25 GLN C C 25 177.986 177.525 0.461 1 1 230 . 5 1 1 A 26 26 THR N N 26 114.926 116.467 -1.541 1 1 231 . 5 1 1 A 26 26 THR H H 26 7.057 7.630 -0.573 1 1 232 . 5 1 1 A 26 26 THR CA C 26 64.923 66.673 -1.750 1 1 233 . 5 1 1 A 26 26 THR HA H 26 3.955 3.927 0.028 1 1 234 . 5 1 1 A 26 26 THR CB C 26 67.976 68.975 -0.999 1 1 240 . 5 1 1 A 26 26 THR C C 26 176.674 176.037 0.637 1 1 241 . 5 1 1 A 27 27 LEU N N 27 123.660 121.137 2.523 1 1 242 . 5 1 1 A 27 27 LEU H H 27 7.152 8.004 -0.852 1 1 243 . 5 1 1 A 27 27 LEU CA C 27 58.092 58.127 -0.035 1 1 244 . 5 1 1 A 27 27 LEU HA H 27 3.244 3.001 0.243 1 1 245 . 5 1 1 A 27 27 LEU CB C 27 39.898 41.289 -1.391 1 1 257 . 5 1 1 A 27 27 LEU C C 27 177.543 178.527 -0.984 1 1 259 . 5 1 1 A 28 28 LYS N N 28 117.443 118.638 -1.195 1 1 260 . 5 1 1 A 28 28 LYS H H 28 8.333 8.051 0.282 1 1 261 . 5 1 1 A 28 28 LYS CA C 28 60.192 58.960 1.232 1 1 262 . 5 1 1 A 28 28 LYS HA H 28 3.846 3.932 -0.086 1 1 263 . 5 1 1 A 28 28 LYS CB C 28 31.791 32.280 -0.489 1 1 271 . 5 1 1 A 28 28 LYS C C 28 179.540 178.332 1.208 1 1 276 . 5 1 1 A 29 29 SER N N 29 113.365 116.607 -3.242 1 1 277 . 5 1 1 A 29 29 SER H H 29 7.689 7.836 -0.147 1 1 278 . 5 1 1 A 29 29 SER CA C 29 61.437 60.713 0.724 1 1 279 . 5 1 1 A 29 29 SER HA H 29 4.180 4.310 -0.130 1 1 280 . 5 1 1 A 29 29 SER CB C 29 62.744 63.487 -0.743 1 1 282 . 5 1 1 A 29 29 SER C C 29 176.740 176.026 0.714 1 1 284 . 5 1 1 A 30 30 HIS N N 30 123.202 121.621 1.581 1 1 285 . 5 1 1 A 30 30 HIS H H 30 7.860 7.854 0.006 1 1 286 . 5 1 1 A 30 30 HIS CA C 30 59.371 58.206 1.165 1 1 287 . 5 1 1 A 30 30 HIS HA H 30 4.185 4.146 0.039 1 1 288 . 5 1 1 A 30 30 HIS CB C 30 28.178 29.791 -1.613 1 1 294 . 5 1 1 A 30 30 HIS C C 30 176.119 176.834 -0.715 1 1 296 . 5 1 1 A 31 31 LEU N N 31 117.061 119.004 -1.943 1 1 297 . 5 1 1 A 31 31 LEU H H 31 8.307 7.504 0.803 1 1 298 . 5 1 1 A 31 31 LEU CA C 31 58.168 56.045 2.123 1 1 299 . 5 1 1 A 31 31 LEU HA H 31 3.836 3.978 -0.142 1 1 300 . 5 1 1 A 31 31 LEU CB C 31 42.239 41.234 1.005 1 1 312 . 5 1 1 A 31 31 LEU C C 31 178.830 178.305 0.525 1 1 314 . 5 1 1 A 32 32 ARG N N 32 116.244 119.717 -3.473 1 1 315 . 5 1 1 A 32 32 ARG H H 32 7.111 7.744 -0.633 1 1 316 . 5 1 1 A 32 32 ARG CA C 32 58.407 58.847 -0.440 1 1 317 . 5 1 1 A 32 32 ARG HA H 32 4.107 3.981 0.126 1 1 318 . 5 1 1 A 32 32 ARG CB C 32 30.079 29.698 0.381 1 1 324 . 5 1 1 A 32 32 ARG C C 32 178.721 178.633 0.088 1 1 328 . 5 1 1 A 33 33 ILE N N 33 116.545 115.481 1.064 1 1 329 . 5 1 1 A 33 33 ILE H H 33 7.956 7.005 0.951 1 1 330 . 5 1 1 A 33 33 ILE CA C 33 63.045 63.225 -0.180 1 1 331 . 5 1 1 A 33 33 ILE HA H 33 4.000 3.966 0.034 1 1 332 . 5 1 1 A 33 33 ILE CB C 33 37.627 37.419 0.208 1 1 344 . 5 1 1 A 33 33 ILE C C 33 177.439 177.345 0.094 1 1 346 . 5 1 1 A 34 34 HIS N N 34 117.690 119.555 -1.865 1 1 347 . 5 1 1 A 34 34 HIS H H 34 7.296 7.512 -0.216 1 1 348 . 5 1 1 A 34 34 HIS CA C 34 55.177 58.222 -3.045 1 1 349 . 5 1 1 A 34 34 HIS HA H 34 4.881 4.440 0.441 1 1 350 . 5 1 1 A 34 34 HIS CB C 34 28.970 31.111 -2.141 1 1 356 . 5 1 1 A 34 34 HIS C C 34 175.551 175.541 0.010 1 1 358 . 5 1 1 A 35 35 THR N N 35 112.173 111.796 0.377 1 1 359 . 5 1 1 A 35 35 THR H H 35 7.832 7.515 0.317 1 1 360 . 5 1 1 A 35 35 THR CA C 35 62.557 59.828 2.729 1 1 361 . 5 1 1 A 35 35 THR HA H 35 4.368 4.664 -0.296 1 1 362 . 5 1 1 A 35 35 THR CB C 35 69.896 70.606 -0.710 1 1 368 . 5 1 1 A 35 35 THR C C 35 175.372 173.482 1.890 1 1 369 . 5 1 1 A 36 36 GLY N N 36 111.215 115.658 -4.443 1 1 370 . 5 1 1 A 36 36 GLY H H 36 8.360 8.205 0.155 1 1 371 . 5 1 1 A 36 36 GLY CA C 36 45.502 46.013 -0.511 1 1 372 . 5 1 1 A 36 36 GLY HA3 H 36 3.915 4.049 -0.134 1 1 373 . 5 1 1 A 36 36 GLY C C 36 174.238 175.549 -1.311 1 1 374 . 5 1 1 A 36 36 GLY HA2 H 36 4.055 4.049 0.006 1 1 375 . 5 1 1 A 37 37 SER N N 37 115.499 118.144 -2.645 1 1 376 . 5 1 1 A 37 37 SER H H 37 8.243 8.611 -0.368 1 1 377 . 5 1 1 A 37 37 SER CA C 37 58.511 62.455 -3.944 1 1 378 . 5 1 1 A 37 37 SER HA H 37 4.504 4.166 0.338 1 1 379 . 5 1 1 A 37 37 SER CB C 37 63.971 63.072 0.899 1 1 381 . 5 1 1 A 37 37 SER C C 37 174.565 174.818 -0.253 1 1 383 . 5 1 1 A 38 38 GLY N N 38 110.692 105.169 5.523 1 1 384 . 5 1 1 A 38 38 GLY H H 38 8.325 7.616 0.709 1 1 385 . 5 1 1 A 38 38 GLY CA C 38 44.654 44.609 0.045 1 1 386 . 5 1 1 A 38 38 GLY HA3 H 38 4.157 4.197 -0.040 1 1 387 . 5 1 1 A 38 38 GLY C C 38 171.814 174.137 -2.323 1 1 388 . 5 1 1 A 38 38 GLY HA2 H 38 4.109 4.197 -0.088 1 1 389 . 5 1 1 A 39 39 PRO CA C 39 63.274 64.259 -0.985 1 1 390 . 5 1 1 A 39 39 PRO HA H 39 4.483 4.440 0.043 1 1 391 . 5 1 1 A 39 39 PRO CB C 39 32.251 31.912 0.339 1 1 397 . 5 1 1 A 39 39 PRO C C 39 177.359 176.307 1.052 1 1 401 . 5 1 1 A 40 40 SER N N 40 116.333 114.096 2.237 1 1 402 . 5 1 1 A 40 40 SER H H 40 8.515 7.831 0.684 1 1 1 . 6 1 1 A 7 7 GLY CA C 7 45.530 44.192 1.338 1 1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.930 4.137 -0.207 1 1 3 . 6 1 1 A 7 7 GLY C C 7 174.617 174.178 0.439 1 1 4 . 6 1 1 A 7 7 GLY HA2 H 7 3.930 4.137 -0.207 1 1 5 . 6 1 1 A 8 8 GLY N N 8 108.339 107.958 0.381 1 1 6 . 6 1 1 A 8 8 GLY H H 8 8.199 8.588 -0.389 1 1 7 . 6 1 1 A 8 8 GLY CA C 8 45.038 45.550 -0.512 1 1 8 . 6 1 1 A 8 8 GLY HA3 H 8 3.917 4.038 -0.121 1 1 9 . 6 1 1 A 8 8 GLY C C 8 174.079 174.217 -0.138 1 1 10 . 6 1 1 A 8 8 GLY HA2 H 8 3.917 4.033 -0.116 1 1 11 . 6 1 1 A 9 9 GLU N N 9 120.351 122.640 -2.289 1 1 12 . 6 1 1 A 9 9 GLU H H 9 8.357 7.736 0.621 1 1 13 . 6 1 1 A 9 9 GLU CA C 9 57.060 57.237 -0.177 1 1 14 . 6 1 1 A 9 9 GLU HA H 9 4.129 4.079 0.050 1 1 15 . 6 1 1 A 9 9 GLU CB C 9 30.173 29.572 0.601 1 1 18 . 6 1 1 A 9 9 GLU C C 9 176.341 177.228 -0.887 1 1 21 . 6 1 1 A 10 10 LYS N N 10 121.224 122.111 -0.887 1 1 22 . 6 1 1 A 10 10 LYS H H 10 8.294 9.057 -0.763 1 1 23 . 6 1 1 A 10 10 LYS CA C 10 53.746 56.850 -3.104 1 1 24 . 6 1 1 A 10 10 LYS HA H 10 4.434 4.340 0.094 1 1 25 . 6 1 1 A 10 10 LYS CB C 10 33.720 30.359 3.361 1 1 33 . 6 1 1 A 10 10 LYS C C 10 174.180 176.807 -2.627 1 1 38 . 6 1 1 A 11 11 PRO CA C 11 63.617 64.438 -0.821 1 1 39 . 6 1 1 A 11 11 PRO HA H 11 4.269 4.457 -0.188 1 1 40 . 6 1 1 A 11 11 PRO CB C 11 32.493 31.600 0.893 1 1 46 . 6 1 1 A 11 11 PRO C C 11 176.062 175.778 0.284 1 1 50 . 6 1 1 A 12 12 TYR N N 12 116.760 118.591 -1.831 1 1 51 . 6 1 1 A 12 12 TYR H H 12 7.803 7.906 -0.103 1 1 52 . 6 1 1 A 12 12 TYR CA C 12 55.382 55.245 0.137 1 1 53 . 6 1 1 A 12 12 TYR HA H 12 5.090 5.048 0.042 1 1 54 . 6 1 1 A 12 12 TYR CB C 12 39.070 38.887 0.183 1 1 64 . 6 1 1 A 12 12 TYR C C 12 173.946 173.520 0.426 1 1 66 . 6 1 1 A 13 13 PRO CA C 13 61.323 63.052 -1.729 1 1 67 . 6 1 1 A 13 13 PRO HA H 13 4.946 4.633 0.313 1 1 68 . 6 1 1 A 13 13 PRO CB C 13 32.343 32.127 0.216 1 1 74 . 6 1 1 A 13 13 PRO C C 13 175.848 176.636 -0.788 1 1 78 . 6 1 1 A 14 14 CYS N N 14 122.803 121.780 1.023 1 1 79 . 6 1 1 A 14 14 CYS H H 14 8.973 8.738 0.235 1 1 80 . 6 1 1 A 14 14 CYS CA C 14 59.241 58.843 0.398 1 1 81 . 6 1 1 A 14 14 CYS HA H 14 4.702 4.746 -0.044 1 1 82 . 6 1 1 A 14 14 CYS CB C 14 29.646 28.920 0.726 1 1 84 . 6 1 1 A 14 14 CYS C C 14 178.137 174.991 3.146 1 1 86 . 6 1 1 A 15 15 GLU N N 15 132.218 124.669 7.549 1 1 87 . 6 1 1 A 15 15 GLU H H 15 9.723 8.870 0.853 1 1 88 . 6 1 1 A 15 15 GLU CA C 15 58.506 57.938 0.568 1 1 89 . 6 1 1 A 15 15 GLU HA H 15 4.186 4.323 -0.137 1 1 90 . 6 1 1 A 15 15 GLU CB C 15 29.648 30.057 -0.409 1 1 94 . 6 1 1 A 15 15 GLU C C 15 176.120 178.809 -2.689 1 1 97 . 6 1 1 A 16 16 ILE N N 16 121.803 119.910 1.893 1 1 98 . 6 1 1 A 16 16 ILE H H 16 8.900 7.642 1.258 1 1 99 . 6 1 1 A 16 16 ILE CA C 16 63.455 65.244 -1.789 1 1 100 . 6 1 1 A 16 16 ILE HA H 16 3.890 3.433 0.457 1 1 101 . 6 1 1 A 16 16 ILE CB C 16 38.217 37.093 1.124 1 1 113 . 6 1 1 A 16 16 ILE C C 16 177.134 177.876 -0.742 1 1 115 . 6 1 1 A 17 17 CYS N N 17 117.174 116.025 1.149 1 1 116 . 6 1 1 A 17 17 CYS H H 17 8.560 7.136 1.424 1 1 117 . 6 1 1 A 17 17 CYS CA C 17 58.390 59.740 -1.350 1 1 118 . 6 1 1 A 17 17 CYS HA H 17 5.177 4.494 0.683 1 1 119 . 6 1 1 A 17 17 CYS CB C 17 32.618 29.280 3.338 1 1 121 . 6 1 1 A 17 17 CYS C C 17 176.615 175.272 1.343 1 1 123 . 6 1 1 A 18 18 GLY N N 18 113.492 109.584 3.908 1 1 124 . 6 1 1 A 18 18 GLY H H 18 8.159 8.014 0.145 1 1 125 . 6 1 1 A 18 18 GLY CA C 18 46.223 45.377 0.846 1 1 126 . 6 1 1 A 18 18 GLY HA3 H 18 4.282 4.095 0.187 1 1 127 . 6 1 1 A 18 18 GLY C C 18 174.098 174.824 -0.726 1 1 128 . 6 1 1 A 18 18 GLY HA2 H 18 3.827 4.078 -0.251 1 1 129 . 6 1 1 A 19 19 THR N N 19 120.008 116.059 3.949 1 1 130 . 6 1 1 A 19 19 THR H H 19 7.989 7.501 0.488 1 1 131 . 6 1 1 A 19 19 THR CA C 19 64.755 63.780 0.975 1 1 132 . 6 1 1 A 19 19 THR HA H 19 3.921 4.184 -0.263 1 1 133 . 6 1 1 A 19 19 THR CB C 19 68.607 69.486 -0.879 1 1 139 . 6 1 1 A 19 19 THR C C 19 171.898 173.854 -1.956 1 1 140 . 6 1 1 A 20 20 ARG N N 20 123.158 127.177 -4.019 1 1 141 . 6 1 1 A 20 20 ARG H H 20 8.057 8.552 -0.495 1 1 142 . 6 1 1 A 20 20 ARG CA C 20 55.128 56.040 -0.912 1 1 143 . 6 1 1 A 20 20 ARG HA H 20 4.787 4.923 -0.136 1 1 144 . 6 1 1 A 20 20 ARG CB C 20 33.459 32.352 1.107 1 1 150 . 6 1 1 A 20 20 ARG C C 20 174.806 175.683 -0.877 1 1 154 . 6 1 1 A 21 21 PHE N N 21 117.358 119.449 -2.091 1 1 155 . 6 1 1 A 21 21 PHE H H 21 8.245 8.552 -0.307 1 1 156 . 6 1 1 A 21 21 PHE CA C 21 57.360 56.361 0.999 1 1 157 . 6 1 1 A 21 21 PHE HA H 21 4.729 4.965 -0.236 1 1 158 . 6 1 1 A 21 21 PHE CB C 21 42.955 42.365 0.590 1 1 170 . 6 1 1 A 21 21 PHE C C 21 175.256 176.023 -0.767 1 1 172 . 6 1 1 A 22 22 ARG N N 22 120.836 123.051 -2.215 1 1 173 . 6 1 1 A 22 22 ARG H H 22 9.201 8.761 0.440 1 1 174 . 6 1 1 A 22 22 ARG CA C 22 58.190 58.670 -0.480 1 1 175 . 6 1 1 A 22 22 ARG HA H 22 4.325 4.217 0.108 1 1 176 . 6 1 1 A 22 22 ARG CB C 22 31.236 29.971 1.265 1 1 182 . 6 1 1 A 22 22 ARG C C 22 174.935 176.569 -1.634 1 1 186 . 6 1 1 A 23 23 HIS N N 23 113.110 118.123 -5.013 1 1 187 . 6 1 1 A 23 23 HIS H H 23 7.454 8.105 -0.651 1 1 188 . 6 1 1 A 23 23 HIS CA C 23 54.696 54.769 -0.073 1 1 189 . 6 1 1 A 23 23 HIS HA H 23 5.127 4.958 0.169 1 1 190 . 6 1 1 A 23 23 HIS CB C 23 33.623 32.985 0.638 1 1 196 . 6 1 1 A 23 23 HIS C C 23 175.530 175.340 0.190 1 1 198 . 6 1 1 A 24 24 LEU N N 24 127.638 124.611 3.027 1 1 199 . 6 1 1 A 24 24 LEU H H 24 8.521 8.472 0.049 1 1 200 . 6 1 1 A 24 24 LEU CA C 24 57.706 57.622 0.084 1 1 201 . 6 1 1 A 24 24 LEU HA H 24 3.365 3.715 -0.350 1 1 202 . 6 1 1 A 24 24 LEU CB C 24 41.255 41.578 -0.323 1 1 214 . 6 1 1 A 24 24 LEU C C 24 178.985 178.143 0.842 1 1 216 . 6 1 1 A 25 25 GLN N N 25 116.917 116.881 0.036 1 1 217 . 6 1 1 A 25 25 GLN H H 25 9.292 8.032 1.260 1 1 218 . 6 1 1 A 25 25 GLN CA C 25 59.059 58.200 0.859 1 1 219 . 6 1 1 A 25 25 GLN HA H 25 3.908 4.053 -0.145 1 1 220 . 6 1 1 A 25 25 GLN CB C 25 27.816 28.397 -0.581 1 1 227 . 6 1 1 A 25 25 GLN C C 25 177.986 177.601 0.385 1 1 230 . 6 1 1 A 26 26 THR N N 26 114.926 116.591 -1.665 1 1 231 . 6 1 1 A 26 26 THR H H 26 7.057 7.952 -0.895 1 1 232 . 6 1 1 A 26 26 THR CA C 26 64.923 67.251 -2.328 1 1 233 . 6 1 1 A 26 26 THR HA H 26 3.955 3.941 0.014 1 1 234 . 6 1 1 A 26 26 THR CB C 26 67.976 68.531 -0.555 1 1 240 . 6 1 1 A 26 26 THR C C 26 176.674 175.912 0.762 1 1 241 . 6 1 1 A 27 27 LEU N N 27 123.660 120.763 2.897 1 1 242 . 6 1 1 A 27 27 LEU H H 27 7.152 7.861 -0.709 1 1 243 . 6 1 1 A 27 27 LEU CA C 27 58.092 57.818 0.274 1 1 244 . 6 1 1 A 27 27 LEU HA H 27 3.244 2.915 0.329 1 1 245 . 6 1 1 A 27 27 LEU CB C 27 39.898 41.420 -1.522 1 1 257 . 6 1 1 A 27 27 LEU C C 27 177.543 178.370 -0.827 1 1 259 . 6 1 1 A 28 28 LYS N N 28 117.443 118.736 -1.293 1 1 260 . 6 1 1 A 28 28 LYS H H 28 8.333 8.015 0.318 1 1 261 . 6 1 1 A 28 28 LYS CA C 28 60.192 59.202 0.990 1 1 262 . 6 1 1 A 28 28 LYS HA H 28 3.846 3.891 -0.045 1 1 263 . 6 1 1 A 28 28 LYS CB C 28 31.791 32.127 -0.336 1 1 271 . 6 1 1 A 28 28 LYS C C 28 179.540 179.124 0.416 1 1 276 . 6 1 1 A 29 29 SER N N 29 113.365 116.734 -3.369 1 1 277 . 6 1 1 A 29 29 SER H H 29 7.689 8.180 -0.491 1 1 278 . 6 1 1 A 29 29 SER CA C 29 61.437 61.222 0.215 1 1 279 . 6 1 1 A 29 29 SER HA H 29 4.180 4.284 -0.104 1 1 280 . 6 1 1 A 29 29 SER CB C 29 62.744 63.406 -0.662 1 1 282 . 6 1 1 A 29 29 SER C C 29 176.740 176.188 0.552 1 1 284 . 6 1 1 A 30 30 HIS N N 30 123.202 122.185 1.017 1 1 285 . 6 1 1 A 30 30 HIS H H 30 7.860 7.888 -0.028 1 1 286 . 6 1 1 A 30 30 HIS CA C 30 59.371 58.274 1.097 1 1 287 . 6 1 1 A 30 30 HIS HA H 30 4.185 4.202 -0.017 1 1 288 . 6 1 1 A 30 30 HIS CB C 30 28.178 29.756 -1.578 1 1 294 . 6 1 1 A 30 30 HIS C C 30 176.119 176.867 -0.748 1 1 296 . 6 1 1 A 31 31 LEU N N 31 117.061 119.060 -1.999 1 1 297 . 6 1 1 A 31 31 LEU H H 31 8.307 7.581 0.726 1 1 298 . 6 1 1 A 31 31 LEU CA C 31 58.168 56.245 1.923 1 1 299 . 6 1 1 A 31 31 LEU HA H 31 3.836 3.899 -0.063 1 1 300 . 6 1 1 A 31 31 LEU CB C 31 42.239 41.475 0.764 1 1 312 . 6 1 1 A 31 31 LEU C C 31 178.830 177.925 0.905 1 1 314 . 6 1 1 A 32 32 ARG N N 32 116.244 119.322 -3.078 1 1 315 . 6 1 1 A 32 32 ARG H H 32 7.111 7.741 -0.630 1 1 316 . 6 1 1 A 32 32 ARG CA C 32 58.407 59.583 -1.176 1 1 317 . 6 1 1 A 32 32 ARG HA H 32 4.107 4.022 0.085 1 1 318 . 6 1 1 A 32 32 ARG CB C 32 30.079 29.856 0.223 1 1 324 . 6 1 1 A 32 32 ARG C C 32 178.721 179.254 -0.533 1 1 328 . 6 1 1 A 33 33 ILE N N 33 116.545 117.555 -1.010 1 1 329 . 6 1 1 A 33 33 ILE H H 33 7.956 7.576 0.380 1 1 330 . 6 1 1 A 33 33 ILE CA C 33 63.045 63.986 -0.941 1 1 331 . 6 1 1 A 33 33 ILE HA H 33 4.000 3.773 0.227 1 1 332 . 6 1 1 A 33 33 ILE CB C 33 37.627 37.027 0.600 1 1 344 . 6 1 1 A 33 33 ILE C C 33 177.439 178.206 -0.767 1 1 346 . 6 1 1 A 34 34 HIS N N 34 117.690 120.400 -2.710 1 1 347 . 6 1 1 A 34 34 HIS H H 34 7.296 7.721 -0.425 1 1 348 . 6 1 1 A 34 34 HIS CA C 34 55.177 59.757 -4.580 1 1 349 . 6 1 1 A 34 34 HIS HA H 34 4.881 4.298 0.583 1 1 350 . 6 1 1 A 34 34 HIS CB C 34 28.970 30.659 -1.689 1 1 356 . 6 1 1 A 34 34 HIS C C 34 175.551 176.265 -0.714 1 1 358 . 6 1 1 A 35 35 THR N N 35 112.173 111.129 1.044 1 1 359 . 6 1 1 A 35 35 THR H H 35 7.832 7.599 0.233 1 1 360 . 6 1 1 A 35 35 THR CA C 35 62.557 61.090 1.467 1 1 361 . 6 1 1 A 35 35 THR HA H 35 4.368 4.518 -0.150 1 1 362 . 6 1 1 A 35 35 THR CB C 35 69.896 69.542 0.354 1 1 368 . 6 1 1 A 35 35 THR C C 35 175.372 174.276 1.096 1 1 369 . 6 1 1 A 36 36 GLY N N 36 111.215 111.493 -0.278 1 1 370 . 6 1 1 A 36 36 GLY H H 36 8.360 8.123 0.237 1 1 371 . 6 1 1 A 36 36 GLY CA C 36 45.502 44.658 0.844 1 1 372 . 6 1 1 A 36 36 GLY HA3 H 36 3.915 4.029 -0.114 1 1 373 . 6 1 1 A 36 36 GLY C C 36 174.238 173.653 0.585 1 1 374 . 6 1 1 A 36 36 GLY HA2 H 36 4.055 4.021 0.034 1 1 375 . 6 1 1 A 37 37 SER N N 37 115.499 116.003 -0.504 1 1 376 . 6 1 1 A 37 37 SER H H 37 8.243 8.395 -0.152 1 1 377 . 6 1 1 A 37 37 SER CA C 37 58.511 58.343 0.168 1 1 378 . 6 1 1 A 37 37 SER HA H 37 4.504 4.398 0.106 1 1 379 . 6 1 1 A 37 37 SER CB C 37 63.971 63.464 0.507 1 1 381 . 6 1 1 A 37 37 SER C C 37 174.565 174.922 -0.357 1 1 383 . 6 1 1 A 38 38 GLY N N 38 110.692 109.428 1.264 1 1 384 . 6 1 1 A 38 38 GLY H H 38 8.325 8.492 -0.167 1 1 385 . 6 1 1 A 38 38 GLY CA C 38 44.654 44.947 -0.293 1 1 386 . 6 1 1 A 38 38 GLY HA3 H 38 4.157 4.020 0.137 1 1 387 . 6 1 1 A 38 38 GLY C C 38 171.814 174.161 -2.347 1 1 388 . 6 1 1 A 38 38 GLY HA2 H 38 4.109 4.018 0.091 1 1 389 . 6 1 1 A 39 39 PRO CA C 39 63.274 64.070 -0.796 1 1 390 . 6 1 1 A 39 39 PRO HA H 39 4.483 4.512 -0.029 1 1 391 . 6 1 1 A 39 39 PRO CB C 39 32.251 31.962 0.289 1 1 397 . 6 1 1 A 39 39 PRO C C 39 177.359 176.993 0.366 1 1 401 . 6 1 1 A 40 40 SER N N 40 116.333 111.645 4.688 1 1 402 . 6 1 1 A 40 40 SER H H 40 8.515 8.215 0.300 1 1 1 . 7 1 1 A 7 7 GLY CA C 7 45.530 45.411 0.119 1 1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.930 3.911 0.019 1 1 3 . 7 1 1 A 7 7 GLY C C 7 174.617 173.279 1.338 1 1 4 . 7 1 1 A 7 7 GLY HA2 H 7 3.930 3.910 0.020 1 1 5 . 7 1 1 A 8 8 GLY N N 8 108.339 107.136 1.203 1 1 6 . 7 1 1 A 8 8 GLY H H 8 8.199 8.074 0.125 1 1 7 . 7 1 1 A 8 8 GLY CA C 8 45.038 45.810 -0.772 1 1 8 . 7 1 1 A 8 8 GLY HA3 H 8 3.917 4.212 -0.295 1 1 9 . 7 1 1 A 8 8 GLY C C 8 174.079 172.662 1.417 1 1 10 . 7 1 1 A 8 8 GLY HA2 H 8 3.917 4.204 -0.287 1 1 11 . 7 1 1 A 9 9 GLU N N 9 120.351 119.962 0.389 1 1 12 . 7 1 1 A 9 9 GLU H H 9 8.357 8.816 -0.459 1 1 13 . 7 1 1 A 9 9 GLU CA C 9 57.060 55.108 1.952 1 1 14 . 7 1 1 A 9 9 GLU HA H 9 4.129 4.653 -0.524 1 1 15 . 7 1 1 A 9 9 GLU CB C 9 30.173 32.454 -2.281 1 1 18 . 7 1 1 A 9 9 GLU C C 9 176.341 176.026 0.315 1 1 21 . 7 1 1 A 10 10 LYS N N 10 121.224 122.722 -1.498 1 1 22 . 7 1 1 A 10 10 LYS H H 10 8.294 8.840 -0.546 1 1 23 . 7 1 1 A 10 10 LYS CA C 10 53.746 56.782 -3.036 1 1 24 . 7 1 1 A 10 10 LYS HA H 10 4.434 4.346 0.088 1 1 25 . 7 1 1 A 10 10 LYS CB C 10 33.720 30.312 3.408 1 1 33 . 7 1 1 A 10 10 LYS C C 10 174.180 176.747 -2.567 1 1 38 . 7 1 1 A 11 11 PRO CA C 11 63.617 64.389 -0.772 1 1 39 . 7 1 1 A 11 11 PRO HA H 11 4.269 4.425 -0.156 1 1 40 . 7 1 1 A 11 11 PRO CB C 11 32.493 31.536 0.957 1 1 46 . 7 1 1 A 11 11 PRO C C 11 176.062 175.697 0.365 1 1 50 . 7 1 1 A 12 12 TYR N N 12 116.760 118.818 -2.058 1 1 51 . 7 1 1 A 12 12 TYR H H 12 7.803 7.870 -0.067 1 1 52 . 7 1 1 A 12 12 TYR CA C 12 55.382 55.188 0.194 1 1 53 . 7 1 1 A 12 12 TYR HA H 12 5.090 5.036 0.054 1 1 54 . 7 1 1 A 12 12 TYR CB C 12 39.070 38.767 0.303 1 1 64 . 7 1 1 A 12 12 TYR C C 12 173.946 173.355 0.591 1 1 66 . 7 1 1 A 13 13 PRO CA C 13 61.323 63.150 -1.827 1 1 67 . 7 1 1 A 13 13 PRO HA H 13 4.946 4.604 0.342 1 1 68 . 7 1 1 A 13 13 PRO CB C 13 32.343 32.147 0.196 1 1 74 . 7 1 1 A 13 13 PRO C C 13 175.848 176.724 -0.876 1 1 78 . 7 1 1 A 14 14 CYS N N 14 122.803 121.919 0.884 1 1 79 . 7 1 1 A 14 14 CYS H H 14 8.973 8.632 0.341 1 1 80 . 7 1 1 A 14 14 CYS CA C 14 59.241 59.055 0.186 1 1 81 . 7 1 1 A 14 14 CYS HA H 14 4.702 4.671 0.031 1 1 82 . 7 1 1 A 14 14 CYS CB C 14 29.646 28.659 0.987 1 1 84 . 7 1 1 A 14 14 CYS C C 14 178.137 174.855 3.282 1 1 86 . 7 1 1 A 15 15 GLU N N 15 132.218 125.169 7.049 1 1 87 . 7 1 1 A 15 15 GLU H H 15 9.723 8.864 0.859 1 1 88 . 7 1 1 A 15 15 GLU CA C 15 58.506 58.009 0.497 1 1 89 . 7 1 1 A 15 15 GLU HA H 15 4.186 4.320 -0.134 1 1 90 . 7 1 1 A 15 15 GLU CB C 15 29.648 30.211 -0.563 1 1 94 . 7 1 1 A 15 15 GLU C C 15 176.120 178.967 -2.847 1 1 97 . 7 1 1 A 16 16 ILE N N 16 121.803 119.880 1.923 1 1 98 . 7 1 1 A 16 16 ILE H H 16 8.900 7.649 1.251 1 1 99 . 7 1 1 A 16 16 ILE CA C 16 63.455 65.203 -1.748 1 1 100 . 7 1 1 A 16 16 ILE HA H 16 3.890 3.431 0.459 1 1 101 . 7 1 1 A 16 16 ILE CB C 16 38.217 36.995 1.222 1 1 113 . 7 1 1 A 16 16 ILE C C 16 177.134 177.808 -0.674 1 1 115 . 7 1 1 A 17 17 CYS N N 17 117.174 116.801 0.373 1 1 116 . 7 1 1 A 17 17 CYS H H 17 8.560 7.218 1.342 1 1 117 . 7 1 1 A 17 17 CYS CA C 17 58.390 59.883 -1.493 1 1 118 . 7 1 1 A 17 17 CYS HA H 17 5.177 4.462 0.715 1 1 119 . 7 1 1 A 17 17 CYS CB C 17 32.618 28.999 3.619 1 1 121 . 7 1 1 A 17 17 CYS C C 17 176.615 175.246 1.369 1 1 123 . 7 1 1 A 18 18 GLY N N 18 113.492 109.619 3.873 1 1 124 . 7 1 1 A 18 18 GLY H H 18 8.159 8.011 0.148 1 1 125 . 7 1 1 A 18 18 GLY CA C 18 46.223 45.340 0.883 1 1 126 . 7 1 1 A 18 18 GLY HA3 H 18 4.282 4.090 0.192 1 1 127 . 7 1 1 A 18 18 GLY C C 18 174.098 174.799 -0.701 1 1 128 . 7 1 1 A 18 18 GLY HA2 H 18 3.827 4.076 -0.249 1 1 129 . 7 1 1 A 19 19 THR N N 19 120.008 116.064 3.944 1 1 130 . 7 1 1 A 19 19 THR H H 19 7.989 7.489 0.500 1 1 131 . 7 1 1 A 19 19 THR CA C 19 64.755 63.535 1.220 1 1 132 . 7 1 1 A 19 19 THR HA H 19 3.921 4.197 -0.276 1 1 133 . 7 1 1 A 19 19 THR CB C 19 68.607 69.365 -0.758 1 1 139 . 7 1 1 A 19 19 THR C C 19 171.898 174.064 -2.166 1 1 140 . 7 1 1 A 20 20 ARG N N 20 123.158 127.344 -4.186 1 1 141 . 7 1 1 A 20 20 ARG H H 20 8.057 8.531 -0.474 1 1 142 . 7 1 1 A 20 20 ARG CA C 20 55.128 55.776 -0.648 1 1 143 . 7 1 1 A 20 20 ARG HA H 20 4.787 4.979 -0.192 1 1 144 . 7 1 1 A 20 20 ARG CB C 20 33.459 32.246 1.213 1 1 150 . 7 1 1 A 20 20 ARG C C 20 174.806 175.553 -0.747 1 1 154 . 7 1 1 A 21 21 PHE N N 21 117.358 118.791 -1.433 1 1 155 . 7 1 1 A 21 21 PHE H H 21 8.245 8.456 -0.211 1 1 156 . 7 1 1 A 21 21 PHE CA C 21 57.360 56.392 0.968 1 1 157 . 7 1 1 A 21 21 PHE HA H 21 4.729 4.933 -0.204 1 1 158 . 7 1 1 A 21 21 PHE CB C 21 42.955 42.429 0.526 1 1 170 . 7 1 1 A 21 21 PHE C C 21 175.256 176.051 -0.795 1 1 172 . 7 1 1 A 22 22 ARG N N 22 120.836 123.522 -2.686 1 1 173 . 7 1 1 A 22 22 ARG H H 22 9.201 8.766 0.435 1 1 174 . 7 1 1 A 22 22 ARG CA C 22 58.190 58.753 -0.563 1 1 175 . 7 1 1 A 22 22 ARG HA H 22 4.325 4.185 0.140 1 1 176 . 7 1 1 A 22 22 ARG CB C 22 31.236 30.074 1.162 1 1 182 . 7 1 1 A 22 22 ARG C C 22 174.935 176.548 -1.613 1 1 186 . 7 1 1 A 23 23 HIS N N 23 113.110 117.120 -4.010 1 1 187 . 7 1 1 A 23 23 HIS H H 23 7.454 8.148 -0.694 1 1 188 . 7 1 1 A 23 23 HIS CA C 23 54.696 54.781 -0.085 1 1 189 . 7 1 1 A 23 23 HIS HA H 23 5.127 5.032 0.095 1 1 190 . 7 1 1 A 23 23 HIS CB C 23 33.623 32.993 0.630 1 1 196 . 7 1 1 A 23 23 HIS C C 23 175.530 175.394 0.136 1 1 198 . 7 1 1 A 24 24 LEU N N 24 127.638 124.815 2.823 1 1 199 . 7 1 1 A 24 24 LEU H H 24 8.521 8.521 0.000 1 1 200 . 7 1 1 A 24 24 LEU CA C 24 57.706 57.729 -0.023 1 1 201 . 7 1 1 A 24 24 LEU HA H 24 3.365 3.699 -0.334 1 1 202 . 7 1 1 A 24 24 LEU CB C 24 41.255 41.309 -0.054 1 1 214 . 7 1 1 A 24 24 LEU C C 24 178.985 178.261 0.724 1 1 216 . 7 1 1 A 25 25 GLN N N 25 116.917 117.053 -0.136 1 1 217 . 7 1 1 A 25 25 GLN H H 25 9.292 8.074 1.218 1 1 218 . 7 1 1 A 25 25 GLN CA C 25 59.059 58.235 0.824 1 1 219 . 7 1 1 A 25 25 GLN HA H 25 3.908 4.062 -0.154 1 1 220 . 7 1 1 A 25 25 GLN CB C 25 27.816 28.157 -0.341 1 1 227 . 7 1 1 A 25 25 GLN C C 25 177.986 177.569 0.417 1 1 230 . 7 1 1 A 26 26 THR N N 26 114.926 116.701 -1.775 1 1 231 . 7 1 1 A 26 26 THR H H 26 7.057 7.887 -0.830 1 1 232 . 7 1 1 A 26 26 THR CA C 26 64.923 67.174 -2.251 1 1 233 . 7 1 1 A 26 26 THR HA H 26 3.955 3.905 0.050 1 1 234 . 7 1 1 A 26 26 THR CB C 26 67.976 68.766 -0.790 1 1 240 . 7 1 1 A 26 26 THR C C 26 176.674 175.780 0.894 1 1 241 . 7 1 1 A 27 27 LEU N N 27 123.660 120.901 2.759 1 1 242 . 7 1 1 A 27 27 LEU H H 27 7.152 7.928 -0.776 1 1 243 . 7 1 1 A 27 27 LEU CA C 27 58.092 57.681 0.411 1 1 244 . 7 1 1 A 27 27 LEU HA H 27 3.244 2.928 0.316 1 1 245 . 7 1 1 A 27 27 LEU CB C 27 39.898 41.390 -1.492 1 1 257 . 7 1 1 A 27 27 LEU C C 27 177.543 178.357 -0.814 1 1 259 . 7 1 1 A 28 28 LYS N N 28 117.443 118.936 -1.493 1 1 260 . 7 1 1 A 28 28 LYS H H 28 8.333 8.074 0.259 1 1 261 . 7 1 1 A 28 28 LYS CA C 28 60.192 59.306 0.886 1 1 262 . 7 1 1 A 28 28 LYS HA H 28 3.846 3.885 -0.039 1 1 263 . 7 1 1 A 28 28 LYS CB C 28 31.791 32.111 -0.320 1 1 271 . 7 1 1 A 28 28 LYS C C 28 179.540 179.401 0.139 1 1 276 . 7 1 1 A 29 29 SER N N 29 113.365 116.722 -3.357 1 1 277 . 7 1 1 A 29 29 SER H H 29 7.689 8.124 -0.435 1 1 278 . 7 1 1 A 29 29 SER CA C 29 61.437 61.244 0.193 1 1 279 . 7 1 1 A 29 29 SER HA H 29 4.180 4.225 -0.045 1 1 280 . 7 1 1 A 29 29 SER CB C 29 62.744 63.265 -0.521 1 1 282 . 7 1 1 A 29 29 SER C C 29 176.740 176.155 0.585 1 1 284 . 7 1 1 A 30 30 HIS N N 30 123.202 122.163 1.039 1 1 285 . 7 1 1 A 30 30 HIS H H 30 7.860 7.746 0.114 1 1 286 . 7 1 1 A 30 30 HIS CA C 30 59.371 58.845 0.526 1 1 287 . 7 1 1 A 30 30 HIS HA H 30 4.185 4.217 -0.032 1 1 288 . 7 1 1 A 30 30 HIS CB C 30 28.178 29.406 -1.228 1 1 294 . 7 1 1 A 30 30 HIS C C 30 176.119 177.060 -0.941 1 1 296 . 7 1 1 A 31 31 LEU N N 31 117.061 118.912 -1.851 1 1 297 . 7 1 1 A 31 31 LEU H H 31 8.307 7.797 0.510 1 1 298 . 7 1 1 A 31 31 LEU CA C 31 58.168 56.390 1.778 1 1 299 . 7 1 1 A 31 31 LEU HA H 31 3.836 3.922 -0.086 1 1 300 . 7 1 1 A 31 31 LEU CB C 31 42.239 41.270 0.969 1 1 312 . 7 1 1 A 31 31 LEU C C 31 178.830 178.683 0.147 1 1 314 . 7 1 1 A 32 32 ARG N N 32 116.244 119.113 -2.869 1 1 315 . 7 1 1 A 32 32 ARG H H 32 7.111 8.060 -0.949 1 1 316 . 7 1 1 A 32 32 ARG CA C 32 58.407 59.544 -1.137 1 1 317 . 7 1 1 A 32 32 ARG HA H 32 4.107 4.002 0.105 1 1 318 . 7 1 1 A 32 32 ARG CB C 32 30.079 29.877 0.202 1 1 324 . 7 1 1 A 32 32 ARG C C 32 178.721 179.100 -0.379 1 1 328 . 7 1 1 A 33 33 ILE N N 33 116.545 117.644 -1.099 1 1 329 . 7 1 1 A 33 33 ILE H H 33 7.956 7.250 0.706 1 1 330 . 7 1 1 A 33 33 ILE CA C 33 63.045 64.201 -1.156 1 1 331 . 7 1 1 A 33 33 ILE HA H 33 4.000 3.768 0.232 1 1 332 . 7 1 1 A 33 33 ILE CB C 33 37.627 37.118 0.509 1 1 344 . 7 1 1 A 33 33 ILE C C 33 177.439 177.963 -0.524 1 1 346 . 7 1 1 A 34 34 HIS N N 34 117.690 119.626 -1.936 1 1 347 . 7 1 1 A 34 34 HIS H H 34 7.296 7.582 -0.286 1 1 348 . 7 1 1 A 34 34 HIS CA C 34 55.177 59.014 -3.837 1 1 349 . 7 1 1 A 34 34 HIS HA H 34 4.881 4.327 0.554 1 1 350 . 7 1 1 A 34 34 HIS CB C 34 28.970 29.631 -0.661 1 1 356 . 7 1 1 A 34 34 HIS C C 34 175.551 176.054 -0.503 1 1 358 . 7 1 1 A 35 35 THR N N 35 112.173 112.508 -0.335 1 1 359 . 7 1 1 A 35 35 THR H H 35 7.832 8.145 -0.313 1 1 360 . 7 1 1 A 35 35 THR CA C 35 62.557 61.843 0.714 1 1 361 . 7 1 1 A 35 35 THR HA H 35 4.368 4.453 -0.085 1 1 362 . 7 1 1 A 35 35 THR CB C 35 69.896 69.828 0.068 1 1 368 . 7 1 1 A 35 35 THR C C 35 175.372 175.300 0.072 1 1 369 . 7 1 1 A 36 36 GLY N N 36 111.215 116.652 -5.437 1 1 370 . 7 1 1 A 36 36 GLY H H 36 8.360 8.648 -0.288 1 1 371 . 7 1 1 A 36 36 GLY CA C 36 45.502 45.246 0.256 1 1 372 . 7 1 1 A 36 36 GLY HA3 H 36 3.915 4.006 -0.091 1 1 373 . 7 1 1 A 36 36 GLY C C 36 174.238 173.512 0.726 1 1 374 . 7 1 1 A 36 36 GLY HA2 H 36 4.055 4.002 0.053 1 1 375 . 7 1 1 A 37 37 SER N N 37 115.499 111.533 3.966 1 1 376 . 7 1 1 A 37 37 SER H H 37 8.243 7.602 0.641 1 1 377 . 7 1 1 A 37 37 SER CA C 37 58.511 56.913 1.598 1 1 378 . 7 1 1 A 37 37 SER HA H 37 4.504 4.984 -0.480 1 1 379 . 7 1 1 A 37 37 SER CB C 37 63.971 65.746 -1.775 1 1 381 . 7 1 1 A 37 37 SER C C 37 174.565 172.988 1.577 1 1 383 . 7 1 1 A 38 38 GLY N N 38 110.692 107.533 3.159 1 1 384 . 7 1 1 A 38 38 GLY H H 38 8.325 8.364 -0.039 1 1 385 . 7 1 1 A 38 38 GLY CA C 38 44.654 43.915 0.739 1 1 386 . 7 1 1 A 38 38 GLY HA3 H 38 4.157 4.142 0.015 1 1 387 . 7 1 1 A 38 38 GLY C C 38 171.814 174.196 -2.382 1 1 388 . 7 1 1 A 38 38 GLY HA2 H 38 4.109 4.135 -0.026 1 1 389 . 7 1 1 A 39 39 PRO CA C 39 63.274 63.779 -0.505 1 1 390 . 7 1 1 A 39 39 PRO HA H 39 4.483 4.560 -0.077 1 1 391 . 7 1 1 A 39 39 PRO CB C 39 32.251 31.665 0.586 1 1 397 . 7 1 1 A 39 39 PRO C C 39 177.359 177.170 0.189 1 1 401 . 7 1 1 A 40 40 SER N N 40 116.333 111.426 4.907 1 1 402 . 7 1 1 A 40 40 SER H H 40 8.515 8.049 0.466 1 1 1 . 8 1 1 A 7 7 GLY CA C 7 45.530 45.069 0.461 1 1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.930 4.190 -0.260 1 1 3 . 8 1 1 A 7 7 GLY C C 7 174.617 172.685 1.932 1 1 4 . 8 1 1 A 7 7 GLY HA2 H 7 3.930 4.188 -0.258 1 1 5 . 8 1 1 A 8 8 GLY N N 8 108.339 110.569 -2.230 1 1 6 . 8 1 1 A 8 8 GLY H H 8 8.199 8.509 -0.310 1 1 7 . 8 1 1 A 8 8 GLY CA C 8 45.038 45.553 -0.515 1 1 8 . 8 1 1 A 8 8 GLY HA3 H 8 3.917 4.295 -0.378 1 1 9 . 8 1 1 A 8 8 GLY C C 8 174.079 172.327 1.752 1 1 10 . 8 1 1 A 8 8 GLY HA2 H 8 3.917 4.293 -0.376 1 1 11 . 8 1 1 A 9 9 GLU N N 9 120.351 118.373 1.978 1 1 12 . 8 1 1 A 9 9 GLU H H 9 8.357 8.692 -0.335 1 1 13 . 8 1 1 A 9 9 GLU CA C 9 57.060 54.635 2.425 1 1 14 . 8 1 1 A 9 9 GLU HA H 9 4.129 5.050 -0.921 1 1 15 . 8 1 1 A 9 9 GLU CB C 9 30.173 33.529 -3.356 1 1 18 . 8 1 1 A 9 9 GLU C C 9 176.341 175.074 1.267 1 1 21 . 8 1 1 A 10 10 LYS N N 10 121.224 122.342 -1.118 1 1 22 . 8 1 1 A 10 10 LYS H H 10 8.294 8.784 -0.490 1 1 23 . 8 1 1 A 10 10 LYS CA C 10 53.746 53.864 -0.118 1 1 24 . 8 1 1 A 10 10 LYS HA H 10 4.434 5.168 -0.734 1 1 25 . 8 1 1 A 10 10 LYS CB C 10 33.720 33.292 0.428 1 1 33 . 8 1 1 A 10 10 LYS C C 10 174.180 175.291 -1.111 1 1 38 . 8 1 1 A 11 11 PRO CA C 11 63.617 64.056 -0.439 1 1 39 . 8 1 1 A 11 11 PRO HA H 11 4.269 4.443 -0.174 1 1 40 . 8 1 1 A 11 11 PRO CB C 11 32.493 31.174 1.319 1 1 46 . 8 1 1 A 11 11 PRO C C 11 176.062 175.706 0.356 1 1 50 . 8 1 1 A 12 12 TYR N N 12 116.760 118.549 -1.789 1 1 51 . 8 1 1 A 12 12 TYR H H 12 7.803 7.902 -0.099 1 1 52 . 8 1 1 A 12 12 TYR CA C 12 55.382 55.210 0.172 1 1 53 . 8 1 1 A 12 12 TYR HA H 12 5.090 5.052 0.038 1 1 54 . 8 1 1 A 12 12 TYR CB C 12 39.070 38.836 0.234 1 1 64 . 8 1 1 A 12 12 TYR C C 12 173.946 173.351 0.595 1 1 66 . 8 1 1 A 13 13 PRO CA C 13 61.323 63.095 -1.772 1 1 67 . 8 1 1 A 13 13 PRO HA H 13 4.946 4.647 0.299 1 1 68 . 8 1 1 A 13 13 PRO CB C 13 32.343 32.195 0.148 1 1 74 . 8 1 1 A 13 13 PRO C C 13 175.848 176.568 -0.720 1 1 78 . 8 1 1 A 14 14 CYS N N 14 122.803 121.656 1.147 1 1 79 . 8 1 1 A 14 14 CYS H H 14 8.973 8.593 0.380 1 1 80 . 8 1 1 A 14 14 CYS CA C 14 59.241 58.569 0.672 1 1 81 . 8 1 1 A 14 14 CYS HA H 14 4.702 4.787 -0.085 1 1 82 . 8 1 1 A 14 14 CYS CB C 14 29.646 28.865 0.781 1 1 84 . 8 1 1 A 14 14 CYS C C 14 178.137 174.766 3.371 1 1 86 . 8 1 1 A 15 15 GLU N N 15 132.218 124.657 7.561 1 1 87 . 8 1 1 A 15 15 GLU H H 15 9.723 8.964 0.759 1 1 88 . 8 1 1 A 15 15 GLU CA C 15 58.506 57.917 0.589 1 1 89 . 8 1 1 A 15 15 GLU HA H 15 4.186 4.323 -0.137 1 1 90 . 8 1 1 A 15 15 GLU CB C 15 29.648 30.209 -0.561 1 1 94 . 8 1 1 A 15 15 GLU C C 15 176.120 178.837 -2.717 1 1 97 . 8 1 1 A 16 16 ILE N N 16 121.803 119.888 1.915 1 1 98 . 8 1 1 A 16 16 ILE H H 16 8.900 7.649 1.251 1 1 99 . 8 1 1 A 16 16 ILE CA C 16 63.455 65.191 -1.736 1 1 100 . 8 1 1 A 16 16 ILE HA H 16 3.890 3.422 0.468 1 1 101 . 8 1 1 A 16 16 ILE CB C 16 38.217 36.994 1.223 1 1 113 . 8 1 1 A 16 16 ILE C C 16 177.134 177.803 -0.669 1 1 115 . 8 1 1 A 17 17 CYS N N 17 117.174 116.201 0.973 1 1 116 . 8 1 1 A 17 17 CYS H H 17 8.560 7.145 1.415 1 1 117 . 8 1 1 A 17 17 CYS CA C 17 58.390 59.775 -1.385 1 1 118 . 8 1 1 A 17 17 CYS HA H 17 5.177 4.509 0.668 1 1 119 . 8 1 1 A 17 17 CYS CB C 17 32.618 28.900 3.718 1 1 121 . 8 1 1 A 17 17 CYS C C 17 176.615 175.248 1.367 1 1 123 . 8 1 1 A 18 18 GLY N N 18 113.492 109.728 3.764 1 1 124 . 8 1 1 A 18 18 GLY H H 18 8.159 8.019 0.140 1 1 125 . 8 1 1 A 18 18 GLY CA C 18 46.223 45.288 0.935 1 1 126 . 8 1 1 A 18 18 GLY HA3 H 18 4.282 4.081 0.201 1 1 127 . 8 1 1 A 18 18 GLY C C 18 174.098 174.793 -0.695 1 1 128 . 8 1 1 A 18 18 GLY HA2 H 18 3.827 4.064 -0.237 1 1 129 . 8 1 1 A 19 19 THR N N 19 120.008 116.139 3.869 1 1 130 . 8 1 1 A 19 19 THR H H 19 7.989 7.488 0.501 1 1 131 . 8 1 1 A 19 19 THR CA C 19 64.755 63.503 1.252 1 1 132 . 8 1 1 A 19 19 THR HA H 19 3.921 4.167 -0.246 1 1 133 . 8 1 1 A 19 19 THR CB C 19 68.607 69.316 -0.709 1 1 139 . 8 1 1 A 19 19 THR C C 19 171.898 173.893 -1.995 1 1 140 . 8 1 1 A 20 20 ARG N N 20 123.158 127.412 -4.254 1 1 141 . 8 1 1 A 20 20 ARG H H 20 8.057 8.395 -0.338 1 1 142 . 8 1 1 A 20 20 ARG CA C 20 55.128 55.584 -0.456 1 1 143 . 8 1 1 A 20 20 ARG HA H 20 4.787 4.985 -0.198 1 1 144 . 8 1 1 A 20 20 ARG CB C 20 33.459 32.353 1.106 1 1 150 . 8 1 1 A 20 20 ARG C C 20 174.806 175.656 -0.850 1 1 154 . 8 1 1 A 21 21 PHE N N 21 117.358 120.273 -2.915 1 1 155 . 8 1 1 A 21 21 PHE H H 21 8.245 8.830 -0.585 1 1 156 . 8 1 1 A 21 21 PHE CA C 21 57.360 56.319 1.041 1 1 157 . 8 1 1 A 21 21 PHE HA H 21 4.729 4.897 -0.168 1 1 158 . 8 1 1 A 21 21 PHE CB C 21 42.955 42.436 0.519 1 1 170 . 8 1 1 A 21 21 PHE C C 21 175.256 175.999 -0.743 1 1 172 . 8 1 1 A 22 22 ARG N N 22 120.836 124.315 -3.479 1 1 173 . 8 1 1 A 22 22 ARG H H 22 9.201 8.923 0.278 1 1 174 . 8 1 1 A 22 22 ARG CA C 22 58.190 60.011 -1.821 1 1 175 . 8 1 1 A 22 22 ARG HA H 22 4.325 4.459 -0.134 1 1 176 . 8 1 1 A 22 22 ARG CB C 22 31.236 30.343 0.893 1 1 182 . 8 1 1 A 22 22 ARG C C 22 174.935 175.813 -0.878 1 1 186 . 8 1 1 A 23 23 HIS N N 23 113.110 114.539 -1.429 1 1 187 . 8 1 1 A 23 23 HIS H H 23 7.454 8.145 -0.691 1 1 188 . 8 1 1 A 23 23 HIS CA C 23 54.696 55.019 -0.323 1 1 189 . 8 1 1 A 23 23 HIS HA H 23 5.127 4.806 0.321 1 1 190 . 8 1 1 A 23 23 HIS CB C 23 33.623 32.538 1.085 1 1 196 . 8 1 1 A 23 23 HIS C C 23 175.530 175.402 0.128 1 1 198 . 8 1 1 A 24 24 LEU N N 24 127.638 124.343 3.295 1 1 199 . 8 1 1 A 24 24 LEU H H 24 8.521 8.308 0.213 1 1 200 . 8 1 1 A 24 24 LEU CA C 24 57.706 57.671 0.035 1 1 201 . 8 1 1 A 24 24 LEU HA H 24 3.365 3.665 -0.300 1 1 202 . 8 1 1 A 24 24 LEU CB C 24 41.255 41.372 -0.117 1 1 214 . 8 1 1 A 24 24 LEU C C 24 178.985 178.245 0.740 1 1 216 . 8 1 1 A 25 25 GLN N N 25 116.917 116.652 0.265 1 1 217 . 8 1 1 A 25 25 GLN H H 25 9.292 7.999 1.293 1 1 218 . 8 1 1 A 25 25 GLN CA C 25 59.059 58.269 0.790 1 1 219 . 8 1 1 A 25 25 GLN HA H 25 3.908 4.052 -0.144 1 1 220 . 8 1 1 A 25 25 GLN CB C 25 27.816 28.201 -0.385 1 1 227 . 8 1 1 A 25 25 GLN C C 25 177.986 177.562 0.424 1 1 230 . 8 1 1 A 26 26 THR N N 26 114.926 116.693 -1.767 1 1 231 . 8 1 1 A 26 26 THR H H 26 7.057 7.897 -0.840 1 1 232 . 8 1 1 A 26 26 THR CA C 26 64.923 67.186 -2.263 1 1 233 . 8 1 1 A 26 26 THR HA H 26 3.955 3.906 0.049 1 1 234 . 8 1 1 A 26 26 THR CB C 26 67.976 68.462 -0.486 1 1 240 . 8 1 1 A 26 26 THR C C 26 176.674 175.830 0.844 1 1 241 . 8 1 1 A 27 27 LEU N N 27 123.660 120.797 2.863 1 1 242 . 8 1 1 A 27 27 LEU H H 27 7.152 7.894 -0.742 1 1 243 . 8 1 1 A 27 27 LEU CA C 27 58.092 57.924 0.168 1 1 244 . 8 1 1 A 27 27 LEU HA H 27 3.244 3.092 0.152 1 1 245 . 8 1 1 A 27 27 LEU CB C 27 39.898 41.471 -1.573 1 1 257 . 8 1 1 A 27 27 LEU C C 27 177.543 178.430 -0.887 1 1 259 . 8 1 1 A 28 28 LYS N N 28 117.443 118.754 -1.311 1 1 260 . 8 1 1 A 28 28 LYS H H 28 8.333 7.944 0.389 1 1 261 . 8 1 1 A 28 28 LYS CA C 28 60.192 58.878 1.314 1 1 262 . 8 1 1 A 28 28 LYS HA H 28 3.846 3.990 -0.144 1 1 263 . 8 1 1 A 28 28 LYS CB C 28 31.791 32.083 -0.292 1 1 271 . 8 1 1 A 28 28 LYS C C 28 179.540 178.515 1.025 1 1 276 . 8 1 1 A 29 29 SER N N 29 113.365 116.630 -3.265 1 1 277 . 8 1 1 A 29 29 SER H H 29 7.689 8.221 -0.532 1 1 278 . 8 1 1 A 29 29 SER CA C 29 61.437 60.868 0.569 1 1 279 . 8 1 1 A 29 29 SER HA H 29 4.180 4.280 -0.100 1 1 280 . 8 1 1 A 29 29 SER CB C 29 62.744 63.512 -0.768 1 1 282 . 8 1 1 A 29 29 SER C C 29 176.740 176.206 0.534 1 1 284 . 8 1 1 A 30 30 HIS N N 30 123.202 121.789 1.413 1 1 285 . 8 1 1 A 30 30 HIS H H 30 7.860 7.705 0.155 1 1 286 . 8 1 1 A 30 30 HIS CA C 30 59.371 58.122 1.249 1 1 287 . 8 1 1 A 30 30 HIS HA H 30 4.185 4.168 0.017 1 1 288 . 8 1 1 A 30 30 HIS CB C 30 28.178 29.846 -1.668 1 1 294 . 8 1 1 A 30 30 HIS C C 30 176.119 176.814 -0.695 1 1 296 . 8 1 1 A 31 31 LEU N N 31 117.061 118.955 -1.894 1 1 297 . 8 1 1 A 31 31 LEU H H 31 8.307 7.437 0.870 1 1 298 . 8 1 1 A 31 31 LEU CA C 31 58.168 55.873 2.295 1 1 299 . 8 1 1 A 31 31 LEU HA H 31 3.836 4.048 -0.212 1 1 300 . 8 1 1 A 31 31 LEU CB C 31 42.239 41.303 0.936 1 1 312 . 8 1 1 A 31 31 LEU C C 31 178.830 178.075 0.755 1 1 314 . 8 1 1 A 32 32 ARG N N 32 116.244 119.803 -3.559 1 1 315 . 8 1 1 A 32 32 ARG H H 32 7.111 7.371 -0.260 1 1 316 . 8 1 1 A 32 32 ARG CA C 32 58.407 58.613 -0.206 1 1 317 . 8 1 1 A 32 32 ARG HA H 32 4.107 3.994 0.113 1 1 318 . 8 1 1 A 32 32 ARG CB C 32 30.079 29.812 0.267 1 1 324 . 8 1 1 A 32 32 ARG C C 32 178.721 178.553 0.168 1 1 328 . 8 1 1 A 33 33 ILE N N 33 116.545 115.436 1.109 1 1 329 . 8 1 1 A 33 33 ILE H H 33 7.956 6.990 0.966 1 1 330 . 8 1 1 A 33 33 ILE CA C 33 63.045 63.325 -0.280 1 1 331 . 8 1 1 A 33 33 ILE HA H 33 4.000 3.953 0.047 1 1 332 . 8 1 1 A 33 33 ILE CB C 33 37.627 37.243 0.384 1 1 344 . 8 1 1 A 33 33 ILE C C 33 177.439 177.904 -0.465 1 1 346 . 8 1 1 A 34 34 HIS N N 34 117.690 119.374 -1.684 1 1 347 . 8 1 1 A 34 34 HIS H H 34 7.296 7.514 -0.218 1 1 348 . 8 1 1 A 34 34 HIS CA C 34 55.177 58.253 -3.076 1 1 349 . 8 1 1 A 34 34 HIS HA H 34 4.881 4.412 0.469 1 1 350 . 8 1 1 A 34 34 HIS CB C 34 28.970 30.919 -1.949 1 1 356 . 8 1 1 A 34 34 HIS C C 34 175.551 175.393 0.158 1 1 358 . 8 1 1 A 35 35 THR N N 35 112.173 112.090 0.083 1 1 359 . 8 1 1 A 35 35 THR H H 35 7.832 7.813 0.019 1 1 360 . 8 1 1 A 35 35 THR CA C 35 62.557 60.557 2.000 1 1 361 . 8 1 1 A 35 35 THR HA H 35 4.368 4.668 -0.300 1 1 362 . 8 1 1 A 35 35 THR CB C 35 69.896 71.128 -1.232 1 1 368 . 8 1 1 A 35 35 THR C C 35 175.372 173.556 1.816 1 1 369 . 8 1 1 A 36 36 GLY N N 36 111.215 115.504 -4.289 1 1 370 . 8 1 1 A 36 36 GLY H H 36 8.360 8.379 -0.019 1 1 371 . 8 1 1 A 36 36 GLY CA C 36 45.502 44.481 1.021 1 1 372 . 8 1 1 A 36 36 GLY HA3 H 36 3.915 4.211 -0.296 1 1 373 . 8 1 1 A 36 36 GLY C C 36 174.238 174.664 -0.426 1 1 374 . 8 1 1 A 36 36 GLY HA2 H 36 4.055 4.207 -0.152 1 1 375 . 8 1 1 A 37 37 SER N N 37 115.499 116.583 -1.084 1 1 376 . 8 1 1 A 37 37 SER H H 37 8.243 8.675 -0.432 1 1 377 . 8 1 1 A 37 37 SER CA C 37 58.511 59.664 -1.153 1 1 378 . 8 1 1 A 37 37 SER HA H 37 4.504 4.295 0.209 1 1 379 . 8 1 1 A 37 37 SER CB C 37 63.971 64.231 -0.260 1 1 381 . 8 1 1 A 37 37 SER C C 37 174.565 174.483 0.082 1 1 383 . 8 1 1 A 38 38 GLY N N 38 110.692 107.610 3.082 1 1 384 . 8 1 1 A 38 38 GLY H H 38 8.325 7.880 0.445 1 1 385 . 8 1 1 A 38 38 GLY CA C 38 44.654 43.675 0.979 1 1 386 . 8 1 1 A 38 38 GLY HA3 H 38 4.157 4.103 0.054 1 1 387 . 8 1 1 A 38 38 GLY C C 38 171.814 173.611 -1.797 1 1 388 . 8 1 1 A 38 38 GLY HA2 H 38 4.109 4.102 0.007 1 1 389 . 8 1 1 A 39 39 PRO CA C 39 63.274 62.730 0.544 1 1 390 . 8 1 1 A 39 39 PRO HA H 39 4.483 4.566 -0.083 1 1 391 . 8 1 1 A 39 39 PRO CB C 39 32.251 31.958 0.293 1 1 397 . 8 1 1 A 39 39 PRO C C 39 177.359 176.914 0.445 1 1 401 . 8 1 1 A 40 40 SER N N 40 116.333 115.644 0.689 1 1 402 . 8 1 1 A 40 40 SER H H 40 8.515 8.448 0.067 1 1 1 . 9 1 1 A 7 7 GLY CA C 7 45.530 44.552 0.978 1 1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.930 4.211 -0.281 1 1 3 . 9 1 1 A 7 7 GLY C C 7 174.617 174.716 -0.099 1 1 4 . 9 1 1 A 7 7 GLY HA2 H 7 3.930 4.199 -0.269 1 1 5 . 9 1 1 A 8 8 GLY N N 8 108.339 113.112 -4.773 1 1 6 . 9 1 1 A 8 8 GLY H H 8 8.199 8.684 -0.485 1 1 7 . 9 1 1 A 8 8 GLY CA C 8 45.038 45.297 -0.259 1 1 8 . 9 1 1 A 8 8 GLY HA3 H 8 3.917 4.102 -0.185 1 1 9 . 9 1 1 A 8 8 GLY C C 8 174.079 174.336 -0.257 1 1 10 . 9 1 1 A 8 8 GLY HA2 H 8 3.917 4.081 -0.164 1 1 11 . 9 1 1 A 9 9 GLU N N 9 120.351 120.169 0.182 1 1 12 . 9 1 1 A 9 9 GLU H H 9 8.357 8.042 0.315 1 1 13 . 9 1 1 A 9 9 GLU CA C 9 57.060 55.842 1.218 1 1 14 . 9 1 1 A 9 9 GLU HA H 9 4.129 4.420 -0.291 1 1 15 . 9 1 1 A 9 9 GLU CB C 9 30.173 30.415 -0.242 1 1 18 . 9 1 1 A 9 9 GLU C C 9 176.341 175.857 0.484 1 1 21 . 9 1 1 A 10 10 LYS N N 10 121.224 120.831 0.393 1 1 22 . 9 1 1 A 10 10 LYS H H 10 8.294 8.635 -0.341 1 1 23 . 9 1 1 A 10 10 LYS CA C 10 53.746 53.671 0.075 1 1 24 . 9 1 1 A 10 10 LYS HA H 10 4.434 5.145 -0.711 1 1 25 . 9 1 1 A 10 10 LYS CB C 10 33.720 33.033 0.687 1 1 33 . 9 1 1 A 10 10 LYS C C 10 174.180 175.155 -0.975 1 1 38 . 9 1 1 A 11 11 PRO CA C 11 63.617 64.054 -0.437 1 1 39 . 9 1 1 A 11 11 PRO HA H 11 4.269 4.430 -0.161 1 1 40 . 9 1 1 A 11 11 PRO CB C 11 32.493 31.256 1.237 1 1 46 . 9 1 1 A 11 11 PRO C C 11 176.062 175.703 0.359 1 1 50 . 9 1 1 A 12 12 TYR N N 12 116.760 118.555 -1.795 1 1 51 . 9 1 1 A 12 12 TYR H H 12 7.803 7.899 -0.096 1 1 52 . 9 1 1 A 12 12 TYR CA C 12 55.382 55.211 0.171 1 1 53 . 9 1 1 A 12 12 TYR HA H 12 5.090 5.049 0.041 1 1 54 . 9 1 1 A 12 12 TYR CB C 12 39.070 38.811 0.259 1 1 64 . 9 1 1 A 12 12 TYR C C 12 173.946 173.351 0.595 1 1 66 . 9 1 1 A 13 13 PRO CA C 13 61.323 63.093 -1.770 1 1 67 . 9 1 1 A 13 13 PRO HA H 13 4.946 4.648 0.298 1 1 68 . 9 1 1 A 13 13 PRO CB C 13 32.343 32.198 0.145 1 1 74 . 9 1 1 A 13 13 PRO C C 13 175.848 176.562 -0.714 1 1 78 . 9 1 1 A 14 14 CYS N N 14 122.803 121.660 1.143 1 1 79 . 9 1 1 A 14 14 CYS H H 14 8.973 8.537 0.436 1 1 80 . 9 1 1 A 14 14 CYS CA C 14 59.241 58.602 0.639 1 1 81 . 9 1 1 A 14 14 CYS HA H 14 4.702 4.807 -0.105 1 1 82 . 9 1 1 A 14 14 CYS CB C 14 29.646 28.872 0.774 1 1 84 . 9 1 1 A 14 14 CYS C C 14 178.137 174.757 3.380 1 1 86 . 9 1 1 A 15 15 GLU N N 15 132.218 124.529 7.689 1 1 87 . 9 1 1 A 15 15 GLU H H 15 9.723 8.966 0.757 1 1 88 . 9 1 1 A 15 15 GLU CA C 15 58.506 57.796 0.710 1 1 89 . 9 1 1 A 15 15 GLU HA H 15 4.186 4.324 -0.138 1 1 90 . 9 1 1 A 15 15 GLU CB C 15 29.648 30.219 -0.571 1 1 94 . 9 1 1 A 15 15 GLU C C 15 176.120 178.843 -2.723 1 1 97 . 9 1 1 A 16 16 ILE N N 16 121.803 119.890 1.913 1 1 98 . 9 1 1 A 16 16 ILE H H 16 8.900 7.633 1.267 1 1 99 . 9 1 1 A 16 16 ILE CA C 16 63.455 65.220 -1.765 1 1 100 . 9 1 1 A 16 16 ILE HA H 16 3.890 3.417 0.473 1 1 101 . 9 1 1 A 16 16 ILE CB C 16 38.217 36.972 1.245 1 1 113 . 9 1 1 A 16 16 ILE C C 16 177.134 177.800 -0.666 1 1 115 . 9 1 1 A 17 17 CYS N N 17 117.174 116.198 0.976 1 1 116 . 9 1 1 A 17 17 CYS H H 17 8.560 7.159 1.401 1 1 117 . 9 1 1 A 17 17 CYS CA C 17 58.390 59.764 -1.374 1 1 118 . 9 1 1 A 17 17 CYS HA H 17 5.177 4.495 0.682 1 1 119 . 9 1 1 A 17 17 CYS CB C 17 32.618 28.878 3.740 1 1 121 . 9 1 1 A 17 17 CYS C C 17 176.615 175.241 1.374 1 1 123 . 9 1 1 A 18 18 GLY N N 18 113.492 109.620 3.872 1 1 124 . 9 1 1 A 18 18 GLY H H 18 8.159 8.009 0.150 1 1 125 . 9 1 1 A 18 18 GLY CA C 18 46.223 45.303 0.920 1 1 126 . 9 1 1 A 18 18 GLY HA3 H 18 4.282 4.090 0.192 1 1 127 . 9 1 1 A 18 18 GLY C C 18 174.098 174.786 -0.688 1 1 128 . 9 1 1 A 18 18 GLY HA2 H 18 3.827 4.074 -0.247 1 1 129 . 9 1 1 A 19 19 THR N N 19 120.008 116.055 3.953 1 1 130 . 9 1 1 A 19 19 THR H H 19 7.989 7.454 0.535 1 1 131 . 9 1 1 A 19 19 THR CA C 19 64.755 63.278 1.477 1 1 132 . 9 1 1 A 19 19 THR HA H 19 3.921 4.172 -0.251 1 1 133 . 9 1 1 A 19 19 THR CB C 19 68.607 69.279 -0.672 1 1 139 . 9 1 1 A 19 19 THR C C 19 171.898 174.028 -2.130 1 1 140 . 9 1 1 A 20 20 ARG N N 20 123.158 127.322 -4.164 1 1 141 . 9 1 1 A 20 20 ARG H H 20 8.057 8.455 -0.398 1 1 142 . 9 1 1 A 20 20 ARG CA C 20 55.128 55.260 -0.132 1 1 143 . 9 1 1 A 20 20 ARG HA H 20 4.787 4.996 -0.209 1 1 144 . 9 1 1 A 20 20 ARG CB C 20 33.459 32.792 0.667 1 1 150 . 9 1 1 A 20 20 ARG C C 20 174.806 175.381 -0.575 1 1 154 . 9 1 1 A 21 21 PHE N N 21 117.358 121.516 -4.158 1 1 155 . 9 1 1 A 21 21 PHE H H 21 8.245 9.036 -0.791 1 1 156 . 9 1 1 A 21 21 PHE CA C 21 57.360 56.496 0.864 1 1 157 . 9 1 1 A 21 21 PHE HA H 21 4.729 4.947 -0.218 1 1 158 . 9 1 1 A 21 21 PHE CB C 21 42.955 42.052 0.903 1 1 170 . 9 1 1 A 21 21 PHE C C 21 175.256 176.048 -0.792 1 1 172 . 9 1 1 A 22 22 ARG N N 22 120.836 125.768 -4.932 1 1 173 . 9 1 1 A 22 22 ARG H H 22 9.201 9.026 0.175 1 1 174 . 9 1 1 A 22 22 ARG CA C 22 58.190 60.021 -1.831 1 1 175 . 9 1 1 A 22 22 ARG HA H 22 4.325 4.202 0.123 1 1 176 . 9 1 1 A 22 22 ARG CB C 22 31.236 30.322 0.914 1 1 182 . 9 1 1 A 22 22 ARG C C 22 174.935 175.827 -0.892 1 1 186 . 9 1 1 A 23 23 HIS N N 23 113.110 115.230 -2.120 1 1 187 . 9 1 1 A 23 23 HIS H H 23 7.454 8.334 -0.880 1 1 188 . 9 1 1 A 23 23 HIS CA C 23 54.696 55.397 -0.701 1 1 189 . 9 1 1 A 23 23 HIS HA H 23 5.127 4.889 0.238 1 1 190 . 9 1 1 A 23 23 HIS CB C 23 33.623 32.552 1.071 1 1 196 . 9 1 1 A 23 23 HIS C C 23 175.530 175.268 0.262 1 1 198 . 9 1 1 A 24 24 LEU N N 24 127.638 124.472 3.166 1 1 199 . 9 1 1 A 24 24 LEU H H 24 8.521 8.400 0.121 1 1 200 . 9 1 1 A 24 24 LEU CA C 24 57.706 57.221 0.485 1 1 201 . 9 1 1 A 24 24 LEU HA H 24 3.365 3.696 -0.331 1 1 202 . 9 1 1 A 24 24 LEU CB C 24 41.255 41.730 -0.475 1 1 214 . 9 1 1 A 24 24 LEU C C 24 178.985 178.498 0.487 1 1 216 . 9 1 1 A 25 25 GLN N N 25 116.917 116.914 0.003 1 1 217 . 9 1 1 A 25 25 GLN H H 25 9.292 8.023 1.269 1 1 218 . 9 1 1 A 25 25 GLN CA C 25 59.059 58.127 0.932 1 1 219 . 9 1 1 A 25 25 GLN HA H 25 3.908 4.054 -0.146 1 1 220 . 9 1 1 A 25 25 GLN CB C 25 27.816 28.209 -0.393 1 1 227 . 9 1 1 A 25 25 GLN C C 25 177.986 177.540 0.446 1 1 230 . 9 1 1 A 26 26 THR N N 26 114.926 116.994 -2.068 1 1 231 . 9 1 1 A 26 26 THR H H 26 7.057 7.663 -0.606 1 1 232 . 9 1 1 A 26 26 THR CA C 26 64.923 67.068 -2.145 1 1 233 . 9 1 1 A 26 26 THR HA H 26 3.955 3.934 0.021 1 1 234 . 9 1 1 A 26 26 THR CB C 26 67.976 68.702 -0.726 1 1 240 . 9 1 1 A 26 26 THR C C 26 176.674 175.943 0.731 1 1 241 . 9 1 1 A 27 27 LEU N N 27 123.660 120.942 2.718 1 1 242 . 9 1 1 A 27 27 LEU H H 27 7.152 8.049 -0.897 1 1 243 . 9 1 1 A 27 27 LEU CA C 27 58.092 58.094 -0.002 1 1 244 . 9 1 1 A 27 27 LEU HA H 27 3.244 3.072 0.172 1 1 245 . 9 1 1 A 27 27 LEU CB C 27 39.898 41.468 -1.570 1 1 257 . 9 1 1 A 27 27 LEU C C 27 177.543 178.471 -0.928 1 1 259 . 9 1 1 A 28 28 LYS N N 28 117.443 119.143 -1.700 1 1 260 . 9 1 1 A 28 28 LYS H H 28 8.333 7.808 0.525 1 1 261 . 9 1 1 A 28 28 LYS CA C 28 60.192 58.879 1.313 1 1 262 . 9 1 1 A 28 28 LYS HA H 28 3.846 3.926 -0.080 1 1 263 . 9 1 1 A 28 28 LYS CB C 28 31.791 32.221 -0.430 1 1 271 . 9 1 1 A 28 28 LYS C C 28 179.540 178.487 1.053 1 1 276 . 9 1 1 A 29 29 SER N N 29 113.365 114.917 -1.552 1 1 277 . 9 1 1 A 29 29 SER H H 29 7.689 7.843 -0.154 1 1 278 . 9 1 1 A 29 29 SER CA C 29 61.437 60.588 0.849 1 1 279 . 9 1 1 A 29 29 SER HA H 29 4.180 4.192 -0.012 1 1 280 . 9 1 1 A 29 29 SER CB C 29 62.744 62.841 -0.097 1 1 282 . 9 1 1 A 29 29 SER C C 29 176.740 177.207 -0.467 1 1 284 . 9 1 1 A 30 30 HIS N N 30 123.202 121.434 1.768 1 1 285 . 9 1 1 A 30 30 HIS H H 30 7.860 7.605 0.255 1 1 286 . 9 1 1 A 30 30 HIS CA C 30 59.371 58.242 1.129 1 1 287 . 9 1 1 A 30 30 HIS HA H 30 4.185 4.171 0.014 1 1 288 . 9 1 1 A 30 30 HIS CB C 30 28.178 29.665 -1.487 1 1 294 . 9 1 1 A 30 30 HIS C C 30 176.119 176.803 -0.684 1 1 296 . 9 1 1 A 31 31 LEU N N 31 117.061 119.011 -1.950 1 1 297 . 9 1 1 A 31 31 LEU H H 31 8.307 7.462 0.845 1 1 298 . 9 1 1 A 31 31 LEU CA C 31 58.168 55.776 2.392 1 1 299 . 9 1 1 A 31 31 LEU HA H 31 3.836 4.019 -0.183 1 1 300 . 9 1 1 A 31 31 LEU CB C 31 42.239 41.059 1.180 1 1 312 . 9 1 1 A 31 31 LEU C C 31 178.830 177.913 0.917 1 1 314 . 9 1 1 A 32 32 ARG N N 32 116.244 119.694 -3.450 1 1 315 . 9 1 1 A 32 32 ARG H H 32 7.111 7.761 -0.650 1 1 316 . 9 1 1 A 32 32 ARG CA C 32 58.407 58.533 -0.126 1 1 317 . 9 1 1 A 32 32 ARG HA H 32 4.107 3.979 0.128 1 1 318 . 9 1 1 A 32 32 ARG CB C 32 30.079 29.928 0.151 1 1 324 . 9 1 1 A 32 32 ARG C C 32 178.721 178.452 0.269 1 1 328 . 9 1 1 A 33 33 ILE N N 33 116.545 115.033 1.512 1 1 329 . 9 1 1 A 33 33 ILE H H 33 7.956 7.011 0.945 1 1 330 . 9 1 1 A 33 33 ILE CA C 33 63.045 63.453 -0.408 1 1 331 . 9 1 1 A 33 33 ILE HA H 33 4.000 3.880 0.120 1 1 332 . 9 1 1 A 33 33 ILE CB C 33 37.627 37.352 0.275 1 1 344 . 9 1 1 A 33 33 ILE C C 33 177.439 177.935 -0.496 1 1 346 . 9 1 1 A 34 34 HIS N N 34 117.690 119.572 -1.882 1 1 347 . 9 1 1 A 34 34 HIS H H 34 7.296 7.436 -0.140 1 1 348 . 9 1 1 A 34 34 HIS CA C 34 55.177 58.549 -3.372 1 1 349 . 9 1 1 A 34 34 HIS HA H 34 4.881 4.374 0.507 1 1 350 . 9 1 1 A 34 34 HIS CB C 34 28.970 30.817 -1.847 1 1 356 . 9 1 1 A 34 34 HIS C C 34 175.551 175.390 0.161 1 1 358 . 9 1 1 A 35 35 THR N N 35 112.173 112.494 -0.321 1 1 359 . 9 1 1 A 35 35 THR H H 35 7.832 7.697 0.135 1 1 360 . 9 1 1 A 35 35 THR CA C 35 62.557 61.115 1.442 1 1 361 . 9 1 1 A 35 35 THR HA H 35 4.368 4.566 -0.198 1 1 362 . 9 1 1 A 35 35 THR CB C 35 69.896 71.132 -1.236 1 1 368 . 9 1 1 A 35 35 THR C C 35 175.372 173.662 1.710 1 1 369 . 9 1 1 A 36 36 GLY N N 36 111.215 114.890 -3.675 1 1 370 . 9 1 1 A 36 36 GLY H H 36 8.360 8.418 -0.058 1 1 371 . 9 1 1 A 36 36 GLY CA C 36 45.502 43.993 1.509 1 1 372 . 9 1 1 A 36 36 GLY HA3 H 36 3.915 4.171 -0.256 1 1 373 . 9 1 1 A 36 36 GLY C C 36 174.238 173.926 0.312 1 1 374 . 9 1 1 A 36 36 GLY HA2 H 36 4.055 4.168 -0.113 1 1 375 . 9 1 1 A 37 37 SER N N 37 115.499 114.628 0.871 1 1 376 . 9 1 1 A 37 37 SER H H 37 8.243 9.204 -0.961 1 1 377 . 9 1 1 A 37 37 SER CA C 37 58.511 59.115 -0.604 1 1 378 . 9 1 1 A 37 37 SER HA H 37 4.504 4.157 0.347 1 1 379 . 9 1 1 A 37 37 SER CB C 37 63.971 62.017 1.954 1 1 381 . 9 1 1 A 37 37 SER C C 37 174.565 174.365 0.200 1 1 383 . 9 1 1 A 38 38 GLY N N 38 110.692 106.534 4.158 1 1 384 . 9 1 1 A 38 38 GLY H H 38 8.325 8.403 -0.078 1 1 385 . 9 1 1 A 38 38 GLY CA C 38 44.654 44.764 -0.110 1 1 386 . 9 1 1 A 38 38 GLY HA3 H 38 4.157 4.071 0.086 1 1 387 . 9 1 1 A 38 38 GLY C C 38 171.814 172.707 -0.893 1 1 388 . 9 1 1 A 38 38 GLY HA2 H 38 4.109 4.070 0.039 1 1 389 . 9 1 1 A 39 39 PRO CA C 39 63.274 62.430 0.844 1 1 390 . 9 1 1 A 39 39 PRO HA H 39 4.483 4.699 -0.216 1 1 391 . 9 1 1 A 39 39 PRO CB C 39 32.251 29.926 2.325 1 1 397 . 9 1 1 A 39 39 PRO C C 39 177.359 175.947 1.412 1 1 401 . 9 1 1 A 40 40 SER N N 40 116.333 114.565 1.768 1 1 402 . 9 1 1 A 40 40 SER H H 40 8.515 7.985 0.530 1 1 1 . 10 1 1 A 7 7 GLY CA C 7 45.530 45.537 -0.007 1 1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.930 4.135 -0.205 1 1 3 . 10 1 1 A 7 7 GLY C C 7 174.617 174.095 0.522 1 1 4 . 10 1 1 A 7 7 GLY HA2 H 7 3.930 4.131 -0.201 1 1 5 . 10 1 1 A 8 8 GLY N N 8 108.339 107.671 0.668 1 1 6 . 10 1 1 A 8 8 GLY H H 8 8.199 8.046 0.153 1 1 7 . 10 1 1 A 8 8 GLY CA C 8 45.038 44.865 0.173 1 1 8 . 10 1 1 A 8 8 GLY HA3 H 8 3.917 4.156 -0.239 1 1 9 . 10 1 1 A 8 8 GLY C C 8 174.079 172.760 1.319 1 1 10 . 10 1 1 A 8 8 GLY HA2 H 8 3.917 4.141 -0.224 1 1 11 . 10 1 1 A 9 9 GLU N N 9 120.351 122.971 -2.620 1 1 12 . 10 1 1 A 9 9 GLU H H 9 8.357 8.752 -0.395 1 1 13 . 10 1 1 A 9 9 GLU CA C 9 57.060 54.931 2.129 1 1 14 . 10 1 1 A 9 9 GLU HA H 9 4.129 5.112 -0.983 1 1 15 . 10 1 1 A 9 9 GLU CB C 9 30.173 33.070 -2.897 1 1 18 . 10 1 1 A 9 9 GLU C C 9 176.341 175.504 0.837 1 1 21 . 10 1 1 A 10 10 LYS N N 10 121.224 123.216 -1.992 1 1 22 . 10 1 1 A 10 10 LYS H H 10 8.294 8.860 -0.566 1 1 23 . 10 1 1 A 10 10 LYS CA C 10 53.746 53.912 -0.166 1 1 24 . 10 1 1 A 10 10 LYS HA H 10 4.434 5.562 -1.128 1 1 25 . 10 1 1 A 10 10 LYS CB C 10 33.720 33.092 0.628 1 1 33 . 10 1 1 A 10 10 LYS C C 10 174.180 175.308 -1.128 1 1 38 . 10 1 1 A 11 11 PRO CA C 11 63.617 64.037 -0.420 1 1 39 . 10 1 1 A 11 11 PRO HA H 11 4.269 4.446 -0.177 1 1 40 . 10 1 1 A 11 11 PRO CB C 11 32.493 31.248 1.245 1 1 46 . 10 1 1 A 11 11 PRO C C 11 176.062 175.705 0.357 1 1 50 . 10 1 1 A 12 12 TYR N N 12 116.760 118.560 -1.800 1 1 51 . 10 1 1 A 12 12 TYR H H 12 7.803 7.438 0.365 1 1 52 . 10 1 1 A 12 12 TYR CA C 12 55.382 55.216 0.166 1 1 53 . 10 1 1 A 12 12 TYR HA H 12 5.090 5.047 0.043 1 1 54 . 10 1 1 A 12 12 TYR CB C 12 39.070 38.816 0.254 1 1 64 . 10 1 1 A 12 12 TYR C C 12 173.946 173.360 0.586 1 1 66 . 10 1 1 A 13 13 PRO CA C 13 61.323 63.114 -1.791 1 1 67 . 10 1 1 A 13 13 PRO HA H 13 4.946 4.654 0.292 1 1 68 . 10 1 1 A 13 13 PRO CB C 13 32.343 32.252 0.091 1 1 74 . 10 1 1 A 13 13 PRO C C 13 175.848 176.404 -0.556 1 1 78 . 10 1 1 A 14 14 CYS N N 14 122.803 121.607 1.196 1 1 79 . 10 1 1 A 14 14 CYS H H 14 8.973 8.650 0.323 1 1 80 . 10 1 1 A 14 14 CYS CA C 14 59.241 58.383 0.858 1 1 81 . 10 1 1 A 14 14 CYS HA H 14 4.702 4.851 -0.149 1 1 82 . 10 1 1 A 14 14 CYS CB C 14 29.646 29.087 0.559 1 1 84 . 10 1 1 A 14 14 CYS C C 14 178.137 176.305 1.832 1 1 86 . 10 1 1 A 15 15 GLU N N 15 132.218 122.647 9.571 1 1 87 . 10 1 1 A 15 15 GLU H H 15 9.723 8.730 0.993 1 1 88 . 10 1 1 A 15 15 GLU CA C 15 58.506 57.663 0.843 1 1 89 . 10 1 1 A 15 15 GLU HA H 15 4.186 4.359 -0.173 1 1 90 . 10 1 1 A 15 15 GLU CB C 15 29.648 30.854 -1.206 1 1 94 . 10 1 1 A 15 15 GLU C C 15 176.120 178.695 -2.575 1 1 97 . 10 1 1 A 16 16 ILE N N 16 121.803 120.772 1.031 1 1 98 . 10 1 1 A 16 16 ILE H H 16 8.900 7.603 1.297 1 1 99 . 10 1 1 A 16 16 ILE CA C 16 63.455 65.224 -1.769 1 1 100 . 10 1 1 A 16 16 ILE HA H 16 3.890 3.427 0.463 1 1 101 . 10 1 1 A 16 16 ILE CB C 16 38.217 37.027 1.190 1 1 113 . 10 1 1 A 16 16 ILE C C 16 177.134 177.779 -0.645 1 1 115 . 10 1 1 A 17 17 CYS N N 17 117.174 116.202 0.972 1 1 116 . 10 1 1 A 17 17 CYS H H 17 8.560 7.144 1.416 1 1 117 . 10 1 1 A 17 17 CYS CA C 17 58.390 59.769 -1.379 1 1 118 . 10 1 1 A 17 17 CYS HA H 17 5.177 4.496 0.681 1 1 119 . 10 1 1 A 17 17 CYS CB C 17 32.618 28.919 3.699 1 1 121 . 10 1 1 A 17 17 CYS C C 17 176.615 175.242 1.373 1 1 123 . 10 1 1 A 18 18 GLY N N 18 113.492 109.632 3.860 1 1 124 . 10 1 1 A 18 18 GLY H H 18 8.159 8.016 0.143 1 1 125 . 10 1 1 A 18 18 GLY CA C 18 46.223 45.310 0.913 1 1 126 . 10 1 1 A 18 18 GLY HA3 H 18 4.282 4.091 0.191 1 1 127 . 10 1 1 A 18 18 GLY C C 18 174.098 174.784 -0.686 1 1 128 . 10 1 1 A 18 18 GLY HA2 H 18 3.827 4.074 -0.247 1 1 129 . 10 1 1 A 19 19 THR N N 19 120.008 115.841 4.167 1 1 130 . 10 1 1 A 19 19 THR H H 19 7.989 7.467 0.522 1 1 131 . 10 1 1 A 19 19 THR CA C 19 64.755 63.221 1.534 1 1 132 . 10 1 1 A 19 19 THR HA H 19 3.921 4.136 -0.215 1 1 133 . 10 1 1 A 19 19 THR CB C 19 68.607 69.231 -0.624 1 1 139 . 10 1 1 A 19 19 THR C C 19 171.898 174.015 -2.117 1 1 140 . 10 1 1 A 20 20 ARG N N 20 123.158 126.816 -3.658 1 1 141 . 10 1 1 A 20 20 ARG H H 20 8.057 8.400 -0.343 1 1 142 . 10 1 1 A 20 20 ARG CA C 20 55.128 54.964 0.164 1 1 143 . 10 1 1 A 20 20 ARG HA H 20 4.787 4.928 -0.141 1 1 144 . 10 1 1 A 20 20 ARG CB C 20 33.459 33.005 0.454 1 1 150 . 10 1 1 A 20 20 ARG C C 20 174.806 175.248 -0.442 1 1 154 . 10 1 1 A 21 21 PHE N N 21 117.358 121.729 -4.371 1 1 155 . 10 1 1 A 21 21 PHE H H 21 8.245 9.110 -0.865 1 1 156 . 10 1 1 A 21 21 PHE CA C 21 57.360 56.515 0.845 1 1 157 . 10 1 1 A 21 21 PHE HA H 21 4.729 4.920 -0.191 1 1 158 . 10 1 1 A 21 21 PHE CB C 21 42.955 42.702 0.253 1 1 170 . 10 1 1 A 21 21 PHE C C 21 175.256 176.465 -1.209 1 1 172 . 10 1 1 A 22 22 ARG N N 22 120.836 121.460 -0.624 1 1 173 . 10 1 1 A 22 22 ARG H H 22 9.201 8.923 0.278 1 1 174 . 10 1 1 A 22 22 ARG CA C 22 58.190 58.957 -0.767 1 1 175 . 10 1 1 A 22 22 ARG HA H 22 4.325 4.683 -0.358 1 1 176 . 10 1 1 A 22 22 ARG CB C 22 31.236 29.982 1.254 1 1 182 . 10 1 1 A 22 22 ARG C C 22 174.935 175.922 -0.987 1 1 186 . 10 1 1 A 23 23 HIS N N 23 113.110 117.192 -4.082 1 1 187 . 10 1 1 A 23 23 HIS H H 23 7.454 8.216 -0.762 1 1 188 . 10 1 1 A 23 23 HIS CA C 23 54.696 54.454 0.242 1 1 189 . 10 1 1 A 23 23 HIS HA H 23 5.127 4.770 0.357 1 1 190 . 10 1 1 A 23 23 HIS CB C 23 33.623 32.683 0.940 1 1 196 . 10 1 1 A 23 23 HIS C C 23 175.530 175.109 0.421 1 1 198 . 10 1 1 A 24 24 LEU N N 24 127.638 125.205 2.433 1 1 199 . 10 1 1 A 24 24 LEU H H 24 8.521 8.077 0.444 1 1 200 . 10 1 1 A 24 24 LEU CA C 24 57.706 58.045 -0.339 1 1 201 . 10 1 1 A 24 24 LEU HA H 24 3.365 3.708 -0.343 1 1 202 . 10 1 1 A 24 24 LEU CB C 24 41.255 41.135 0.120 1 1 214 . 10 1 1 A 24 24 LEU C C 24 178.985 178.292 0.693 1 1 216 . 10 1 1 A 25 25 GLN N N 25 116.917 116.721 0.196 1 1 217 . 10 1 1 A 25 25 GLN H H 25 9.292 8.160 1.132 1 1 218 . 10 1 1 A 25 25 GLN CA C 25 59.059 58.078 0.981 1 1 219 . 10 1 1 A 25 25 GLN HA H 25 3.908 4.071 -0.163 1 1 220 . 10 1 1 A 25 25 GLN CB C 25 27.816 28.206 -0.390 1 1 227 . 10 1 1 A 25 25 GLN C C 25 177.986 177.597 0.389 1 1 230 . 10 1 1 A 26 26 THR N N 26 114.926 116.836 -1.910 1 1 231 . 10 1 1 A 26 26 THR H H 26 7.057 7.641 -0.584 1 1 232 . 10 1 1 A 26 26 THR CA C 26 64.923 66.658 -1.735 1 1 233 . 10 1 1 A 26 26 THR HA H 26 3.955 3.929 0.026 1 1 234 . 10 1 1 A 26 26 THR CB C 26 67.976 68.957 -0.981 1 1 240 . 10 1 1 A 26 26 THR C C 26 176.674 176.067 0.607 1 1 241 . 10 1 1 A 27 27 LEU N N 27 123.660 120.949 2.711 1 1 242 . 10 1 1 A 27 27 LEU H H 27 7.152 7.865 -0.713 1 1 243 . 10 1 1 A 27 27 LEU CA C 27 58.092 57.961 0.131 1 1 244 . 10 1 1 A 27 27 LEU HA H 27 3.244 2.915 0.329 1 1 245 . 10 1 1 A 27 27 LEU CB C 27 39.898 41.377 -1.479 1 1 257 . 10 1 1 A 27 27 LEU C C 27 177.543 178.432 -0.889 1 1 259 . 10 1 1 A 28 28 LYS N N 28 117.443 119.116 -1.673 1 1 260 . 10 1 1 A 28 28 LYS H H 28 8.333 8.051 0.282 1 1 261 . 10 1 1 A 28 28 LYS CA C 28 60.192 58.945 1.247 1 1 262 . 10 1 1 A 28 28 LYS HA H 28 3.846 3.984 -0.138 1 1 263 . 10 1 1 A 28 28 LYS CB C 28 31.791 32.221 -0.430 1 1 271 . 10 1 1 A 28 28 LYS C C 28 179.540 177.975 1.565 1 1 276 . 10 1 1 A 29 29 SER N N 29 113.365 115.378 -2.013 1 1 277 . 10 1 1 A 29 29 SER H H 29 7.689 7.898 -0.209 1 1 278 . 10 1 1 A 29 29 SER CA C 29 61.437 60.468 0.969 1 1 279 . 10 1 1 A 29 29 SER HA H 29 4.180 4.249 -0.069 1 1 280 . 10 1 1 A 29 29 SER CB C 29 62.744 62.981 -0.237 1 1 282 . 10 1 1 A 29 29 SER C C 29 176.740 177.134 -0.394 1 1 284 . 10 1 1 A 30 30 HIS N N 30 123.202 121.425 1.777 1 1 285 . 10 1 1 A 30 30 HIS H H 30 7.860 7.749 0.111 1 1 286 . 10 1 1 A 30 30 HIS CA C 30 59.371 58.337 1.034 1 1 287 . 10 1 1 A 30 30 HIS HA H 30 4.185 4.188 -0.003 1 1 288 . 10 1 1 A 30 30 HIS CB C 30 28.178 29.964 -1.786 1 1 294 . 10 1 1 A 30 30 HIS C C 30 176.119 176.889 -0.770 1 1 296 . 10 1 1 A 31 31 LEU N N 31 117.061 119.008 -1.947 1 1 297 . 10 1 1 A 31 31 LEU H H 31 8.307 7.456 0.851 1 1 298 . 10 1 1 A 31 31 LEU CA C 31 58.168 55.906 2.262 1 1 299 . 10 1 1 A 31 31 LEU HA H 31 3.836 3.993 -0.157 1 1 300 . 10 1 1 A 31 31 LEU CB C 31 42.239 41.277 0.962 1 1 312 . 10 1 1 A 31 31 LEU C C 31 178.830 178.305 0.525 1 1 314 . 10 1 1 A 32 32 ARG N N 32 116.244 119.383 -3.139 1 1 315 . 10 1 1 A 32 32 ARG H H 32 7.111 7.747 -0.636 1 1 316 . 10 1 1 A 32 32 ARG CA C 32 58.407 58.550 -0.143 1 1 317 . 10 1 1 A 32 32 ARG HA H 32 4.107 3.997 0.110 1 1 318 . 10 1 1 A 32 32 ARG CB C 32 30.079 29.824 0.255 1 1 324 . 10 1 1 A 32 32 ARG C C 32 178.721 178.517 0.204 1 1 328 . 10 1 1 A 33 33 ILE N N 33 116.545 115.327 1.218 1 1 329 . 10 1 1 A 33 33 ILE H H 33 7.956 7.062 0.894 1 1 330 . 10 1 1 A 33 33 ILE CA C 33 63.045 63.372 -0.327 1 1 331 . 10 1 1 A 33 33 ILE HA H 33 4.000 3.949 0.051 1 1 332 . 10 1 1 A 33 33 ILE CB C 33 37.627 37.392 0.235 1 1 344 . 10 1 1 A 33 33 ILE C C 33 177.439 177.251 0.188 1 1 346 . 10 1 1 A 34 34 HIS N N 34 117.690 119.597 -1.907 1 1 347 . 10 1 1 A 34 34 HIS H H 34 7.296 7.858 -0.562 1 1 348 . 10 1 1 A 34 34 HIS CA C 34 55.177 58.410 -3.233 1 1 349 . 10 1 1 A 34 34 HIS HA H 34 4.881 4.464 0.417 1 1 350 . 10 1 1 A 34 34 HIS CB C 34 28.970 31.314 -2.344 1 1 356 . 10 1 1 A 34 34 HIS C C 34 175.551 175.957 -0.406 1 1 358 . 10 1 1 A 35 35 THR N N 35 112.173 112.582 -0.409 1 1 359 . 10 1 1 A 35 35 THR H H 35 7.832 7.397 0.435 1 1 360 . 10 1 1 A 35 35 THR CA C 35 62.557 60.846 1.711 1 1 361 . 10 1 1 A 35 35 THR HA H 35 4.368 4.528 -0.160 1 1 362 . 10 1 1 A 35 35 THR CB C 35 69.896 68.994 0.902 1 1 368 . 10 1 1 A 35 35 THR C C 35 175.372 174.114 1.258 1 1 369 . 10 1 1 A 36 36 GLY N N 36 111.215 115.160 -3.945 1 1 370 . 10 1 1 A 36 36 GLY H H 36 8.360 8.500 -0.140 1 1 371 . 10 1 1 A 36 36 GLY CA C 36 45.502 45.938 -0.436 1 1 372 . 10 1 1 A 36 36 GLY HA3 H 36 3.915 4.106 -0.191 1 1 373 . 10 1 1 A 36 36 GLY C C 36 174.238 173.681 0.557 1 1 374 . 10 1 1 A 36 36 GLY HA2 H 36 4.055 4.102 -0.047 1 1 375 . 10 1 1 A 37 37 SER N N 37 115.499 113.185 2.314 1 1 376 . 10 1 1 A 37 37 SER H H 37 8.243 7.608 0.635 1 1 377 . 10 1 1 A 37 37 SER CA C 37 58.511 57.739 0.772 1 1 378 . 10 1 1 A 37 37 SER HA H 37 4.504 4.832 -0.328 1 1 379 . 10 1 1 A 37 37 SER CB C 37 63.971 64.832 -0.861 1 1 381 . 10 1 1 A 37 37 SER C C 37 174.565 173.199 1.366 1 1 383 . 10 1 1 A 38 38 GLY N N 38 110.692 112.947 -2.255 1 1 384 . 10 1 1 A 38 38 GLY H H 38 8.325 8.391 -0.066 1 1 385 . 10 1 1 A 38 38 GLY CA C 38 44.654 45.573 -0.919 1 1 386 . 10 1 1 A 38 38 GLY HA3 H 38 4.157 4.185 -0.028 1 1 387 . 10 1 1 A 38 38 GLY C C 38 171.814 171.796 0.018 1 1 388 . 10 1 1 A 38 38 GLY HA2 H 38 4.109 4.182 -0.073 1 1 389 . 10 1 1 A 39 39 PRO CA C 39 63.274 62.573 0.701 1 1 390 . 10 1 1 A 39 39 PRO HA H 39 4.483 4.659 -0.176 1 1 391 . 10 1 1 A 39 39 PRO CB C 39 32.251 31.476 0.775 1 1 397 . 10 1 1 A 39 39 PRO C C 39 177.359 177.883 -0.524 1 1 401 . 10 1 1 A 40 40 SER N N 40 116.333 118.804 -2.471 1 1 402 . 10 1 1 A 40 40 SER H H 40 8.515 8.724 -0.209 1 1 1 . 11 1 1 A 7 7 GLY CA C 7 45.530 44.688 0.842 1 1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.930 4.252 -0.322 1 1 3 . 11 1 1 A 7 7 GLY C C 7 174.617 172.428 2.189 1 1 4 . 11 1 1 A 7 7 GLY HA2 H 7 3.930 4.250 -0.320 1 1 5 . 11 1 1 A 8 8 GLY N N 8 108.339 111.208 -2.869 1 1 6 . 11 1 1 A 8 8 GLY H H 8 8.199 8.931 -0.732 1 1 7 . 11 1 1 A 8 8 GLY CA C 8 45.038 44.665 0.373 1 1 8 . 11 1 1 A 8 8 GLY HA3 H 8 3.917 4.362 -0.445 1 1 9 . 11 1 1 A 8 8 GLY C C 8 174.079 172.018 2.061 1 1 10 . 11 1 1 A 8 8 GLY HA2 H 8 3.917 4.350 -0.433 1 1 11 . 11 1 1 A 9 9 GLU N N 9 120.351 123.063 -2.712 1 1 12 . 11 1 1 A 9 9 GLU H H 9 8.357 8.916 -0.559 1 1 13 . 11 1 1 A 9 9 GLU CA C 9 57.060 54.580 2.480 1 1 14 . 11 1 1 A 9 9 GLU HA H 9 4.129 4.991 -0.862 1 1 15 . 11 1 1 A 9 9 GLU CB C 9 30.173 33.750 -3.577 1 1 18 . 11 1 1 A 9 9 GLU C C 9 176.341 175.401 0.940 1 1 21 . 11 1 1 A 10 10 LYS N N 10 121.224 122.511 -1.287 1 1 22 . 11 1 1 A 10 10 LYS H H 10 8.294 8.757 -0.463 1 1 23 . 11 1 1 A 10 10 LYS CA C 10 53.746 53.920 -0.174 1 1 24 . 11 1 1 A 10 10 LYS HA H 10 4.434 5.144 -0.710 1 1 25 . 11 1 1 A 10 10 LYS CB C 10 33.720 32.961 0.759 1 1 33 . 11 1 1 A 10 10 LYS C C 10 174.180 175.277 -1.097 1 1 38 . 11 1 1 A 11 11 PRO CA C 11 63.617 64.047 -0.430 1 1 39 . 11 1 1 A 11 11 PRO HA H 11 4.269 4.434 -0.165 1 1 40 . 11 1 1 A 11 11 PRO CB C 11 32.493 31.230 1.263 1 1 46 . 11 1 1 A 11 11 PRO C C 11 176.062 175.694 0.368 1 1 50 . 11 1 1 A 12 12 TYR N N 12 116.760 118.827 -2.067 1 1 51 . 11 1 1 A 12 12 TYR H H 12 7.803 7.883 -0.080 1 1 52 . 11 1 1 A 12 12 TYR CA C 12 55.382 55.208 0.174 1 1 53 . 11 1 1 A 12 12 TYR HA H 12 5.090 5.047 0.043 1 1 54 . 11 1 1 A 12 12 TYR CB C 12 39.070 38.796 0.274 1 1 64 . 11 1 1 A 12 12 TYR C C 12 173.946 173.360 0.586 1 1 66 . 11 1 1 A 13 13 PRO CA C 13 61.323 63.043 -1.720 1 1 67 . 11 1 1 A 13 13 PRO HA H 13 4.946 4.561 0.385 1 1 68 . 11 1 1 A 13 13 PRO CB C 13 32.343 32.303 0.040 1 1 74 . 11 1 1 A 13 13 PRO C C 13 175.848 176.827 -0.979 1 1 78 . 11 1 1 A 14 14 CYS N N 14 122.803 121.919 0.884 1 1 79 . 11 1 1 A 14 14 CYS H H 14 8.973 8.374 0.599 1 1 80 . 11 1 1 A 14 14 CYS CA C 14 59.241 59.242 -0.001 1 1 81 . 11 1 1 A 14 14 CYS HA H 14 4.702 4.639 0.063 1 1 82 . 11 1 1 A 14 14 CYS CB C 14 29.646 29.018 0.628 1 1 84 . 11 1 1 A 14 14 CYS C C 14 178.137 176.112 2.025 1 1 86 . 11 1 1 A 15 15 GLU N N 15 132.218 122.615 9.603 1 1 87 . 11 1 1 A 15 15 GLU H H 15 9.723 8.746 0.977 1 1 88 . 11 1 1 A 15 15 GLU CA C 15 58.506 58.117 0.389 1 1 89 . 11 1 1 A 15 15 GLU HA H 15 4.186 4.353 -0.167 1 1 90 . 11 1 1 A 15 15 GLU CB C 15 29.648 30.689 -1.041 1 1 94 . 11 1 1 A 15 15 GLU C C 15 176.120 178.818 -2.698 1 1 97 . 11 1 1 A 16 16 ILE N N 16 121.803 120.795 1.008 1 1 98 . 11 1 1 A 16 16 ILE H H 16 8.900 7.677 1.223 1 1 99 . 11 1 1 A 16 16 ILE CA C 16 63.455 65.231 -1.776 1 1 100 . 11 1 1 A 16 16 ILE HA H 16 3.890 3.443 0.447 1 1 101 . 11 1 1 A 16 16 ILE CB C 16 38.217 37.097 1.120 1 1 113 . 11 1 1 A 16 16 ILE C C 16 177.134 177.823 -0.689 1 1 115 . 11 1 1 A 17 17 CYS N N 17 117.174 116.219 0.955 1 1 116 . 11 1 1 A 17 17 CYS H H 17 8.560 7.193 1.367 1 1 117 . 11 1 1 A 17 17 CYS CA C 17 58.390 59.772 -1.382 1 1 118 . 11 1 1 A 17 17 CYS HA H 17 5.177 4.497 0.680 1 1 119 . 11 1 1 A 17 17 CYS CB C 17 32.618 28.881 3.737 1 1 121 . 11 1 1 A 17 17 CYS C C 17 176.615 175.248 1.367 1 1 123 . 11 1 1 A 18 18 GLY N N 18 113.492 109.816 3.676 1 1 124 . 11 1 1 A 18 18 GLY H H 18 8.159 8.026 0.133 1 1 125 . 11 1 1 A 18 18 GLY CA C 18 46.223 45.315 0.908 1 1 126 . 11 1 1 A 18 18 GLY HA3 H 18 4.282 4.086 0.196 1 1 127 . 11 1 1 A 18 18 GLY C C 18 174.098 174.818 -0.720 1 1 128 . 11 1 1 A 18 18 GLY HA2 H 18 3.827 4.066 -0.239 1 1 129 . 11 1 1 A 19 19 THR N N 19 120.008 116.211 3.797 1 1 130 . 11 1 1 A 19 19 THR H H 19 7.989 7.466 0.523 1 1 131 . 11 1 1 A 19 19 THR CA C 19 64.755 64.091 0.664 1 1 132 . 11 1 1 A 19 19 THR HA H 19 3.921 4.155 -0.234 1 1 133 . 11 1 1 A 19 19 THR CB C 19 68.607 69.283 -0.676 1 1 139 . 11 1 1 A 19 19 THR C C 19 171.898 174.041 -2.143 1 1 140 . 11 1 1 A 20 20 ARG N N 20 123.158 127.397 -4.239 1 1 141 . 11 1 1 A 20 20 ARG H H 20 8.057 8.469 -0.412 1 1 142 . 11 1 1 A 20 20 ARG CA C 20 55.128 56.608 -1.480 1 1 143 . 11 1 1 A 20 20 ARG HA H 20 4.787 4.891 -0.104 1 1 144 . 11 1 1 A 20 20 ARG CB C 20 33.459 31.245 2.214 1 1 150 . 11 1 1 A 20 20 ARG C C 20 174.806 176.224 -1.418 1 1 154 . 11 1 1 A 21 21 PHE N N 21 117.358 120.648 -3.290 1 1 155 . 11 1 1 A 21 21 PHE H H 21 8.245 8.818 -0.573 1 1 156 . 11 1 1 A 21 21 PHE CA C 21 57.360 56.347 1.013 1 1 157 . 11 1 1 A 21 21 PHE HA H 21 4.729 4.908 -0.179 1 1 158 . 11 1 1 A 21 21 PHE CB C 21 42.955 41.861 1.094 1 1 170 . 11 1 1 A 21 21 PHE C C 21 175.256 176.250 -0.994 1 1 172 . 11 1 1 A 22 22 ARG N N 22 120.836 123.499 -2.663 1 1 173 . 11 1 1 A 22 22 ARG H H 22 9.201 8.782 0.419 1 1 174 . 11 1 1 A 22 22 ARG CA C 22 58.190 59.914 -1.724 1 1 175 . 11 1 1 A 22 22 ARG HA H 22 4.325 4.547 -0.222 1 1 176 . 11 1 1 A 22 22 ARG CB C 22 31.236 30.330 0.906 1 1 182 . 11 1 1 A 22 22 ARG C C 22 174.935 176.976 -2.041 1 1 186 . 11 1 1 A 23 23 HIS N N 23 113.110 115.530 -2.420 1 1 187 . 11 1 1 A 23 23 HIS H H 23 7.454 8.228 -0.774 1 1 188 . 11 1 1 A 23 23 HIS CA C 23 54.696 55.148 -0.452 1 1 189 . 11 1 1 A 23 23 HIS HA H 23 5.127 4.970 0.157 1 1 190 . 11 1 1 A 23 23 HIS CB C 23 33.623 32.148 1.475 1 1 196 . 11 1 1 A 23 23 HIS C C 23 175.530 175.282 0.248 1 1 198 . 11 1 1 A 24 24 LEU N N 24 127.638 124.973 2.665 1 1 199 . 11 1 1 A 24 24 LEU H H 24 8.521 8.365 0.156 1 1 200 . 11 1 1 A 24 24 LEU CA C 24 57.706 57.811 -0.105 1 1 201 . 11 1 1 A 24 24 LEU HA H 24 3.365 3.643 -0.278 1 1 202 . 11 1 1 A 24 24 LEU CB C 24 41.255 41.013 0.242 1 1 214 . 11 1 1 A 24 24 LEU C C 24 178.985 178.221 0.764 1 1 216 . 11 1 1 A 25 25 GLN N N 25 116.917 116.647 0.270 1 1 217 . 11 1 1 A 25 25 GLN H H 25 9.292 8.099 1.193 1 1 218 . 11 1 1 A 25 25 GLN CA C 25 59.059 58.096 0.963 1 1 219 . 11 1 1 A 25 25 GLN HA H 25 3.908 4.064 -0.156 1 1 220 . 11 1 1 A 25 25 GLN CB C 25 27.816 28.055 -0.239 1 1 227 . 11 1 1 A 25 25 GLN C C 25 177.986 177.532 0.454 1 1 230 . 11 1 1 A 26 26 THR N N 26 114.926 116.771 -1.845 1 1 231 . 11 1 1 A 26 26 THR H H 26 7.057 7.684 -0.627 1 1 232 . 11 1 1 A 26 26 THR CA C 26 64.923 66.870 -1.947 1 1 233 . 11 1 1 A 26 26 THR HA H 26 3.955 3.914 0.041 1 1 234 . 11 1 1 A 26 26 THR CB C 26 67.976 68.981 -1.005 1 1 240 . 11 1 1 A 26 26 THR C C 26 176.674 176.035 0.639 1 1 241 . 11 1 1 A 27 27 LEU N N 27 123.660 121.166 2.494 1 1 242 . 11 1 1 A 27 27 LEU H H 27 7.152 8.077 -0.925 1 1 243 . 11 1 1 A 27 27 LEU CA C 27 58.092 58.152 -0.060 1 1 244 . 11 1 1 A 27 27 LEU HA H 27 3.244 3.091 0.153 1 1 245 . 11 1 1 A 27 27 LEU CB C 27 39.898 41.466 -1.568 1 1 257 . 11 1 1 A 27 27 LEU C C 27 177.543 178.567 -1.024 1 1 259 . 11 1 1 A 28 28 LYS N N 28 117.443 118.593 -1.150 1 1 260 . 11 1 1 A 28 28 LYS H H 28 8.333 7.951 0.382 1 1 261 . 11 1 1 A 28 28 LYS CA C 28 60.192 58.984 1.208 1 1 262 . 11 1 1 A 28 28 LYS HA H 28 3.846 3.905 -0.059 1 1 263 . 11 1 1 A 28 28 LYS CB C 28 31.791 32.279 -0.488 1 1 271 . 11 1 1 A 28 28 LYS C C 28 179.540 178.158 1.382 1 1 276 . 11 1 1 A 29 29 SER N N 29 113.365 115.274 -1.909 1 1 277 . 11 1 1 A 29 29 SER H H 29 7.689 7.821 -0.132 1 1 278 . 11 1 1 A 29 29 SER CA C 29 61.437 60.559 0.878 1 1 279 . 11 1 1 A 29 29 SER HA H 29 4.180 4.223 -0.043 1 1 280 . 11 1 1 A 29 29 SER CB C 29 62.744 62.872 -0.128 1 1 282 . 11 1 1 A 29 29 SER C C 29 176.740 177.236 -0.496 1 1 284 . 11 1 1 A 30 30 HIS N N 30 123.202 121.434 1.768 1 1 285 . 11 1 1 A 30 30 HIS H H 30 7.860 7.923 -0.063 1 1 286 . 11 1 1 A 30 30 HIS CA C 30 59.371 58.152 1.219 1 1 287 . 11 1 1 A 30 30 HIS HA H 30 4.185 4.168 0.017 1 1 288 . 11 1 1 A 30 30 HIS CB C 30 28.178 29.660 -1.482 1 1 294 . 11 1 1 A 30 30 HIS C C 30 176.119 176.833 -0.714 1 1 296 . 11 1 1 A 31 31 LEU N N 31 117.061 118.996 -1.935 1 1 297 . 11 1 1 A 31 31 LEU H H 31 8.307 7.504 0.803 1 1 298 . 11 1 1 A 31 31 LEU CA C 31 58.168 56.006 2.162 1 1 299 . 11 1 1 A 31 31 LEU HA H 31 3.836 4.014 -0.178 1 1 300 . 11 1 1 A 31 31 LEU CB C 31 42.239 41.223 1.016 1 1 312 . 11 1 1 A 31 31 LEU C C 31 178.830 178.347 0.483 1 1 314 . 11 1 1 A 32 32 ARG N N 32 116.244 119.727 -3.483 1 1 315 . 11 1 1 A 32 32 ARG H H 32 7.111 7.338 -0.227 1 1 316 . 11 1 1 A 32 32 ARG CA C 32 58.407 58.717 -0.310 1 1 317 . 11 1 1 A 32 32 ARG HA H 32 4.107 4.004 0.103 1 1 318 . 11 1 1 A 32 32 ARG CB C 32 30.079 29.659 0.420 1 1 324 . 11 1 1 A 32 32 ARG C C 32 178.721 178.667 0.054 1 1 328 . 11 1 1 A 33 33 ILE N N 33 116.545 115.353 1.192 1 1 329 . 11 1 1 A 33 33 ILE H H 33 7.956 7.045 0.911 1 1 330 . 11 1 1 A 33 33 ILE CA C 33 63.045 63.259 -0.214 1 1 331 . 11 1 1 A 33 33 ILE HA H 33 4.000 3.936 0.064 1 1 332 . 11 1 1 A 33 33 ILE CB C 33 37.627 37.270 0.357 1 1 344 . 11 1 1 A 33 33 ILE C C 33 177.439 177.754 -0.315 1 1 346 . 11 1 1 A 34 34 HIS N N 34 117.690 119.375 -1.685 1 1 347 . 11 1 1 A 34 34 HIS H H 34 7.296 7.528 -0.232 1 1 348 . 11 1 1 A 34 34 HIS CA C 34 55.177 58.379 -3.202 1 1 349 . 11 1 1 A 34 34 HIS HA H 34 4.881 4.414 0.467 1 1 350 . 11 1 1 A 34 34 HIS CB C 34 28.970 30.892 -1.922 1 1 356 . 11 1 1 A 34 34 HIS C C 34 175.551 175.393 0.158 1 1 358 . 11 1 1 A 35 35 THR N N 35 112.173 112.017 0.156 1 1 359 . 11 1 1 A 35 35 THR H H 35 7.832 7.827 0.005 1 1 360 . 11 1 1 A 35 35 THR CA C 35 62.557 60.265 2.292 1 1 361 . 11 1 1 A 35 35 THR HA H 35 4.368 4.644 -0.276 1 1 362 . 11 1 1 A 35 35 THR CB C 35 69.896 71.294 -1.398 1 1 368 . 11 1 1 A 35 35 THR C C 35 175.372 174.606 0.766 1 1 369 . 11 1 1 A 36 36 GLY N N 36 111.215 115.779 -4.564 1 1 370 . 11 1 1 A 36 36 GLY H H 36 8.360 8.546 -0.186 1 1 371 . 11 1 1 A 36 36 GLY CA C 36 45.502 45.766 -0.264 1 1 372 . 11 1 1 A 36 36 GLY HA3 H 36 3.915 4.121 -0.206 1 1 373 . 11 1 1 A 36 36 GLY C C 36 174.238 174.449 -0.211 1 1 374 . 11 1 1 A 36 36 GLY HA2 H 36 4.055 4.117 -0.062 1 1 375 . 11 1 1 A 37 37 SER N N 37 115.499 116.395 -0.896 1 1 376 . 11 1 1 A 37 37 SER H H 37 8.243 8.273 -0.030 1 1 377 . 11 1 1 A 37 37 SER CA C 37 58.511 59.287 -0.776 1 1 378 . 11 1 1 A 37 37 SER HA H 37 4.504 4.735 -0.231 1 1 379 . 11 1 1 A 37 37 SER CB C 37 63.971 65.853 -1.882 1 1 381 . 11 1 1 A 37 37 SER C C 37 174.565 173.767 0.798 1 1 383 . 11 1 1 A 38 38 GLY N N 38 110.692 108.159 2.533 1 1 384 . 11 1 1 A 38 38 GLY H H 38 8.325 7.983 0.342 1 1 385 . 11 1 1 A 38 38 GLY CA C 38 44.654 44.196 0.458 1 1 386 . 11 1 1 A 38 38 GLY HA3 H 38 4.157 4.174 -0.017 1 1 387 . 11 1 1 A 38 38 GLY C C 38 171.814 174.552 -2.738 1 1 388 . 11 1 1 A 38 38 GLY HA2 H 38 4.109 4.173 -0.064 1 1 389 . 11 1 1 A 39 39 PRO CA C 39 63.274 64.133 -0.859 1 1 390 . 11 1 1 A 39 39 PRO HA H 39 4.483 4.460 0.023 1 1 391 . 11 1 1 A 39 39 PRO CB C 39 32.251 31.763 0.488 1 1 397 . 11 1 1 A 39 39 PRO C C 39 177.359 176.389 0.970 1 1 401 . 11 1 1 A 40 40 SER N N 40 116.333 115.533 0.800 1 1 402 . 11 1 1 A 40 40 SER H H 40 8.515 7.770 0.745 1 1 1 . 12 1 1 A 7 7 GLY CA C 7 45.530 44.319 1.211 1 1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.930 4.144 -0.214 1 1 3 . 12 1 1 A 7 7 GLY C C 7 174.617 172.519 2.098 1 1 4 . 12 1 1 A 7 7 GLY HA2 H 7 3.930 4.139 -0.209 1 1 5 . 12 1 1 A 8 8 GLY N N 8 108.339 108.039 0.300 1 1 6 . 12 1 1 A 8 8 GLY H H 8 8.199 8.668 -0.469 1 1 7 . 12 1 1 A 8 8 GLY CA C 8 45.038 44.366 0.672 1 1 8 . 12 1 1 A 8 8 GLY HA3 H 8 3.917 4.321 -0.404 1 1 9 . 12 1 1 A 8 8 GLY C C 8 174.079 173.199 0.880 1 1 10 . 12 1 1 A 8 8 GLY HA2 H 8 3.917 4.295 -0.378 1 1 11 . 12 1 1 A 9 9 GLU N N 9 120.351 119.254 1.097 1 1 12 . 12 1 1 A 9 9 GLU H H 9 8.357 8.465 -0.108 1 1 13 . 12 1 1 A 9 9 GLU CA C 9 57.060 56.670 0.390 1 1 14 . 12 1 1 A 9 9 GLU HA H 9 4.129 4.287 -0.158 1 1 15 . 12 1 1 A 9 9 GLU CB C 9 30.173 30.542 -0.369 1 1 18 . 12 1 1 A 9 9 GLU C C 9 176.341 176.068 0.273 1 1 21 . 12 1 1 A 10 10 LYS N N 10 121.224 122.817 -1.593 1 1 22 . 12 1 1 A 10 10 LYS H H 10 8.294 8.483 -0.189 1 1 23 . 12 1 1 A 10 10 LYS CA C 10 53.746 53.933 -0.187 1 1 24 . 12 1 1 A 10 10 LYS HA H 10 4.434 5.110 -0.676 1 1 25 . 12 1 1 A 10 10 LYS CB C 10 33.720 32.971 0.749 1 1 33 . 12 1 1 A 10 10 LYS C C 10 174.180 175.278 -1.098 1 1 38 . 12 1 1 A 11 11 PRO CA C 11 63.617 64.002 -0.385 1 1 39 . 12 1 1 A 11 11 PRO HA H 11 4.269 4.425 -0.156 1 1 40 . 12 1 1 A 11 11 PRO CB C 11 32.493 31.384 1.109 1 1 46 . 12 1 1 A 11 11 PRO C C 11 176.062 175.684 0.378 1 1 50 . 12 1 1 A 12 12 TYR N N 12 116.760 118.540 -1.780 1 1 51 . 12 1 1 A 12 12 TYR H H 12 7.803 7.882 -0.079 1 1 52 . 12 1 1 A 12 12 TYR CA C 12 55.382 55.201 0.181 1 1 53 . 12 1 1 A 12 12 TYR HA H 12 5.090 5.042 0.048 1 1 54 . 12 1 1 A 12 12 TYR CB C 12 39.070 38.807 0.263 1 1 64 . 12 1 1 A 12 12 TYR C C 12 173.946 173.450 0.496 1 1 66 . 12 1 1 A 13 13 PRO CA C 13 61.323 63.175 -1.852 1 1 67 . 12 1 1 A 13 13 PRO HA H 13 4.946 4.619 0.327 1 1 68 . 12 1 1 A 13 13 PRO CB C 13 32.343 32.002 0.341 1 1 74 . 12 1 1 A 13 13 PRO C C 13 175.848 176.715 -0.867 1 1 78 . 12 1 1 A 14 14 CYS N N 14 122.803 121.766 1.037 1 1 79 . 12 1 1 A 14 14 CYS H H 14 8.973 8.997 -0.024 1 1 80 . 12 1 1 A 14 14 CYS CA C 14 59.241 58.972 0.269 1 1 81 . 12 1 1 A 14 14 CYS HA H 14 4.702 4.708 -0.006 1 1 82 . 12 1 1 A 14 14 CYS CB C 14 29.646 28.837 0.809 1 1 84 . 12 1 1 A 14 14 CYS C C 14 178.137 174.837 3.300 1 1 86 . 12 1 1 A 15 15 GLU N N 15 132.218 124.664 7.554 1 1 87 . 12 1 1 A 15 15 GLU H H 15 9.723 8.933 0.790 1 1 88 . 12 1 1 A 15 15 GLU CA C 15 58.506 57.811 0.695 1 1 89 . 12 1 1 A 15 15 GLU HA H 15 4.186 4.334 -0.148 1 1 90 . 12 1 1 A 15 15 GLU CB C 15 29.648 30.225 -0.577 1 1 94 . 12 1 1 A 15 15 GLU C C 15 176.120 178.846 -2.726 1 1 97 . 12 1 1 A 16 16 ILE N N 16 121.803 119.931 1.872 1 1 98 . 12 1 1 A 16 16 ILE H H 16 8.900 7.703 1.197 1 1 99 . 12 1 1 A 16 16 ILE CA C 16 63.455 65.252 -1.797 1 1 100 . 12 1 1 A 16 16 ILE HA H 16 3.890 3.451 0.439 1 1 101 . 12 1 1 A 16 16 ILE CB C 16 38.217 37.150 1.067 1 1 113 . 12 1 1 A 16 16 ILE C C 16 177.134 177.805 -0.671 1 1 115 . 12 1 1 A 17 17 CYS N N 17 117.174 116.836 0.338 1 1 116 . 12 1 1 A 17 17 CYS H H 17 8.560 7.274 1.286 1 1 117 . 12 1 1 A 17 17 CYS CA C 17 58.390 59.972 -1.582 1 1 118 . 12 1 1 A 17 17 CYS HA H 17 5.177 4.447 0.730 1 1 119 . 12 1 1 A 17 17 CYS CB C 17 32.618 28.867 3.751 1 1 121 . 12 1 1 A 17 17 CYS C C 17 176.615 175.239 1.376 1 1 123 . 12 1 1 A 18 18 GLY N N 18 113.492 109.635 3.857 1 1 124 . 12 1 1 A 18 18 GLY H H 18 8.159 8.014 0.145 1 1 125 . 12 1 1 A 18 18 GLY CA C 18 46.223 45.301 0.922 1 1 126 . 12 1 1 A 18 18 GLY HA3 H 18 4.282 4.092 0.190 1 1 127 . 12 1 1 A 18 18 GLY C C 18 174.098 174.713 -0.615 1 1 128 . 12 1 1 A 18 18 GLY HA2 H 18 3.827 4.074 -0.247 1 1 129 . 12 1 1 A 19 19 THR N N 19 120.008 116.048 3.960 1 1 130 . 12 1 1 A 19 19 THR H H 19 7.989 7.455 0.534 1 1 131 . 12 1 1 A 19 19 THR CA C 19 64.755 63.244 1.511 1 1 132 . 12 1 1 A 19 19 THR HA H 19 3.921 4.142 -0.221 1 1 133 . 12 1 1 A 19 19 THR CB C 19 68.607 69.205 -0.598 1 1 139 . 12 1 1 A 19 19 THR C C 19 171.898 173.985 -2.087 1 1 140 . 12 1 1 A 20 20 ARG N N 20 123.158 126.726 -3.568 1 1 141 . 12 1 1 A 20 20 ARG H H 20 8.057 8.399 -0.342 1 1 142 . 12 1 1 A 20 20 ARG CA C 20 55.128 54.934 0.194 1 1 143 . 12 1 1 A 20 20 ARG HA H 20 4.787 4.964 -0.177 1 1 144 . 12 1 1 A 20 20 ARG CB C 20 33.459 32.952 0.507 1 1 150 . 12 1 1 A 20 20 ARG C C 20 174.806 175.324 -0.518 1 1 154 . 12 1 1 A 21 21 PHE N N 21 117.358 121.131 -3.773 1 1 155 . 12 1 1 A 21 21 PHE H H 21 8.245 8.881 -0.636 1 1 156 . 12 1 1 A 21 21 PHE CA C 21 57.360 56.359 1.001 1 1 157 . 12 1 1 A 21 21 PHE HA H 21 4.729 4.824 -0.095 1 1 158 . 12 1 1 A 21 21 PHE CB C 21 42.955 42.323 0.632 1 1 170 . 12 1 1 A 21 21 PHE C C 21 175.256 176.391 -1.135 1 1 172 . 12 1 1 A 22 22 ARG N N 22 120.836 122.260 -1.424 1 1 173 . 12 1 1 A 22 22 ARG H H 22 9.201 8.687 0.514 1 1 174 . 12 1 1 A 22 22 ARG CA C 22 58.190 58.681 -0.491 1 1 175 . 12 1 1 A 22 22 ARG HA H 22 4.325 4.608 -0.283 1 1 176 . 12 1 1 A 22 22 ARG CB C 22 31.236 30.048 1.188 1 1 182 . 12 1 1 A 22 22 ARG C C 22 174.935 176.522 -1.587 1 1 186 . 12 1 1 A 23 23 HIS N N 23 113.110 117.847 -4.737 1 1 187 . 12 1 1 A 23 23 HIS H H 23 7.454 8.158 -0.704 1 1 188 . 12 1 1 A 23 23 HIS CA C 23 54.696 54.772 -0.076 1 1 189 . 12 1 1 A 23 23 HIS HA H 23 5.127 4.920 0.207 1 1 190 . 12 1 1 A 23 23 HIS CB C 23 33.623 32.970 0.653 1 1 196 . 12 1 1 A 23 23 HIS C C 23 175.530 175.362 0.168 1 1 198 . 12 1 1 A 24 24 LEU N N 24 127.638 124.832 2.806 1 1 199 . 12 1 1 A 24 24 LEU H H 24 8.521 8.376 0.145 1 1 200 . 12 1 1 A 24 24 LEU CA C 24 57.706 57.765 -0.059 1 1 201 . 12 1 1 A 24 24 LEU HA H 24 3.365 3.681 -0.316 1 1 202 . 12 1 1 A 24 24 LEU CB C 24 41.255 41.412 -0.157 1 1 214 . 12 1 1 A 24 24 LEU C C 24 178.985 178.162 0.823 1 1 216 . 12 1 1 A 25 25 GLN N N 25 116.917 116.934 -0.017 1 1 217 . 12 1 1 A 25 25 GLN H H 25 9.292 8.064 1.228 1 1 218 . 12 1 1 A 25 25 GLN CA C 25 59.059 58.205 0.854 1 1 219 . 12 1 1 A 25 25 GLN HA H 25 3.908 4.060 -0.152 1 1 220 . 12 1 1 A 25 25 GLN CB C 25 27.816 28.351 -0.535 1 1 227 . 12 1 1 A 25 25 GLN C C 25 177.986 177.596 0.390 1 1 230 . 12 1 1 A 26 26 THR N N 26 114.926 116.540 -1.614 1 1 231 . 12 1 1 A 26 26 THR H H 26 7.057 7.907 -0.850 1 1 232 . 12 1 1 A 26 26 THR CA C 26 64.923 67.140 -2.217 1 1 233 . 12 1 1 A 26 26 THR HA H 26 3.955 3.957 -0.002 1 1 234 . 12 1 1 A 26 26 THR CB C 26 67.976 67.918 0.058 1 1 240 . 12 1 1 A 26 26 THR C C 26 176.674 176.064 0.610 1 1 241 . 12 1 1 A 27 27 LEU N N 27 123.660 121.018 2.642 1 1 242 . 12 1 1 A 27 27 LEU H H 27 7.152 8.170 -1.018 1 1 243 . 12 1 1 A 27 27 LEU CA C 27 58.092 58.118 -0.026 1 1 244 . 12 1 1 A 27 27 LEU HA H 27 3.244 2.954 0.290 1 1 245 . 12 1 1 A 27 27 LEU CB C 27 39.898 41.313 -1.415 1 1 257 . 12 1 1 A 27 27 LEU C C 27 177.543 178.568 -1.025 1 1 259 . 12 1 1 A 28 28 LYS N N 28 117.443 118.662 -1.219 1 1 260 . 12 1 1 A 28 28 LYS H H 28 8.333 8.003 0.330 1 1 261 . 12 1 1 A 28 28 LYS CA C 28 60.192 58.945 1.247 1 1 262 . 12 1 1 A 28 28 LYS HA H 28 3.846 3.921 -0.075 1 1 263 . 12 1 1 A 28 28 LYS CB C 28 31.791 32.240 -0.449 1 1 271 . 12 1 1 A 28 28 LYS C C 28 179.540 178.272 1.268 1 1 276 . 12 1 1 A 29 29 SER N N 29 113.365 115.204 -1.839 1 1 277 . 12 1 1 A 29 29 SER H H 29 7.689 7.761 -0.072 1 1 278 . 12 1 1 A 29 29 SER CA C 29 61.437 60.654 0.783 1 1 279 . 12 1 1 A 29 29 SER HA H 29 4.180 4.249 -0.069 1 1 280 . 12 1 1 A 29 29 SER CB C 29 62.744 62.916 -0.172 1 1 282 . 12 1 1 A 29 29 SER C C 29 176.740 177.322 -0.582 1 1 284 . 12 1 1 A 30 30 HIS N N 30 123.202 121.563 1.639 1 1 285 . 12 1 1 A 30 30 HIS H H 30 7.860 7.936 -0.076 1 1 286 . 12 1 1 A 30 30 HIS CA C 30 59.371 58.198 1.173 1 1 287 . 12 1 1 A 30 30 HIS HA H 30 4.185 4.158 0.027 1 1 288 . 12 1 1 A 30 30 HIS CB C 30 28.178 30.013 -1.835 1 1 294 . 12 1 1 A 30 30 HIS C C 30 176.119 176.807 -0.688 1 1 296 . 12 1 1 A 31 31 LEU N N 31 117.061 119.212 -2.151 1 1 297 . 12 1 1 A 31 31 LEU H H 31 8.307 7.449 0.858 1 1 298 . 12 1 1 A 31 31 LEU CA C 31 58.168 56.067 2.101 1 1 299 . 12 1 1 A 31 31 LEU HA H 31 3.836 3.975 -0.139 1 1 300 . 12 1 1 A 31 31 LEU CB C 31 42.239 41.326 0.913 1 1 312 . 12 1 1 A 31 31 LEU C C 31 178.830 178.164 0.666 1 1 314 . 12 1 1 A 32 32 ARG N N 32 116.244 120.104 -3.860 1 1 315 . 12 1 1 A 32 32 ARG H H 32 7.111 7.620 -0.509 1 1 316 . 12 1 1 A 32 32 ARG CA C 32 58.407 59.457 -1.050 1 1 317 . 12 1 1 A 32 32 ARG HA H 32 4.107 3.950 0.157 1 1 318 . 12 1 1 A 32 32 ARG CB C 32 30.079 30.280 -0.201 1 1 324 . 12 1 1 A 32 32 ARG C C 32 178.721 179.328 -0.607 1 1 328 . 12 1 1 A 33 33 ILE N N 33 116.545 117.265 -0.720 1 1 329 . 12 1 1 A 33 33 ILE H H 33 7.956 7.536 0.420 1 1 330 . 12 1 1 A 33 33 ILE CA C 33 63.045 63.243 -0.198 1 1 331 . 12 1 1 A 33 33 ILE HA H 33 4.000 3.922 0.078 1 1 332 . 12 1 1 A 33 33 ILE CB C 33 37.627 37.416 0.211 1 1 344 . 12 1 1 A 33 33 ILE C C 33 177.439 177.959 -0.520 1 1 346 . 12 1 1 A 34 34 HIS N N 34 117.690 120.795 -3.105 1 1 347 . 12 1 1 A 34 34 HIS H H 34 7.296 7.439 -0.143 1 1 348 . 12 1 1 A 34 34 HIS CA C 34 55.177 59.093 -3.916 1 1 349 . 12 1 1 A 34 34 HIS HA H 34 4.881 4.482 0.399 1 1 350 . 12 1 1 A 34 34 HIS CB C 34 28.970 30.097 -1.127 1 1 356 . 12 1 1 A 34 34 HIS C C 34 175.551 177.984 -2.433 1 1 358 . 12 1 1 A 35 35 THR N N 35 112.173 113.138 -0.965 1 1 359 . 12 1 1 A 35 35 THR H H 35 7.832 7.631 0.201 1 1 360 . 12 1 1 A 35 35 THR CA C 35 62.557 65.010 -2.453 1 1 361 . 12 1 1 A 35 35 THR HA H 35 4.368 3.987 0.381 1 1 362 . 12 1 1 A 35 35 THR CB C 35 69.896 69.501 0.395 1 1 368 . 12 1 1 A 35 35 THR C C 35 175.372 174.748 0.624 1 1 369 . 12 1 1 A 36 36 GLY N N 36 111.215 109.319 1.896 1 1 370 . 12 1 1 A 36 36 GLY H H 36 8.360 8.054 0.306 1 1 371 . 12 1 1 A 36 36 GLY CA C 36 45.502 46.806 -1.304 1 1 372 . 12 1 1 A 36 36 GLY HA3 H 36 3.915 3.908 0.007 1 1 373 . 12 1 1 A 36 36 GLY C C 36 174.238 175.062 -0.824 1 1 374 . 12 1 1 A 36 36 GLY HA2 H 36 4.055 3.899 0.156 1 1 375 . 12 1 1 A 37 37 SER N N 37 115.499 112.549 2.950 1 1 376 . 12 1 1 A 37 37 SER H H 37 8.243 8.140 0.103 1 1 377 . 12 1 1 A 37 37 SER CA C 37 58.511 60.151 -1.640 1 1 378 . 12 1 1 A 37 37 SER HA H 37 4.504 4.711 -0.207 1 1 379 . 12 1 1 A 37 37 SER CB C 37 63.971 65.385 -1.414 1 1 381 . 12 1 1 A 37 37 SER C C 37 174.565 175.335 -0.770 1 1 383 . 12 1 1 A 38 38 GLY N N 38 110.692 108.813 1.879 1 1 384 . 12 1 1 A 38 38 GLY H H 38 8.325 7.919 0.406 1 1 385 . 12 1 1 A 38 38 GLY CA C 38 44.654 45.053 -0.399 1 1 386 . 12 1 1 A 38 38 GLY HA3 H 38 4.157 4.076 0.081 1 1 387 . 12 1 1 A 38 38 GLY C C 38 171.814 173.875 -2.061 1 1 388 . 12 1 1 A 38 38 GLY HA2 H 38 4.109 4.074 0.035 1 1 389 . 12 1 1 A 39 39 PRO CA C 39 63.274 63.492 -0.218 1 1 390 . 12 1 1 A 39 39 PRO HA H 39 4.483 4.243 0.240 1 1 391 . 12 1 1 A 39 39 PRO CB C 39 32.251 32.224 0.027 1 1 397 . 12 1 1 A 39 39 PRO C C 39 177.359 176.788 0.571 1 1 401 . 12 1 1 A 40 40 SER N N 40 116.333 112.593 3.740 1 1 402 . 12 1 1 A 40 40 SER H H 40 8.515 8.598 -0.083 1 1 1 . 13 1 1 A 7 7 GLY CA C 7 45.530 44.953 0.577 1 1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.930 4.087 -0.157 1 1 3 . 13 1 1 A 7 7 GLY C C 7 174.617 173.702 0.915 1 1 4 . 13 1 1 A 7 7 GLY HA2 H 7 3.930 4.082 -0.152 1 1 5 . 13 1 1 A 8 8 GLY N N 8 108.339 108.810 -0.471 1 1 6 . 13 1 1 A 8 8 GLY H H 8 8.199 8.371 -0.172 1 1 7 . 13 1 1 A 8 8 GLY CA C 8 45.038 45.618 -0.580 1 1 8 . 13 1 1 A 8 8 GLY HA3 H 8 3.917 4.176 -0.259 1 1 9 . 13 1 1 A 8 8 GLY C C 8 174.079 171.851 2.228 1 1 10 . 13 1 1 A 8 8 GLY HA2 H 8 3.917 4.165 -0.248 1 1 11 . 13 1 1 A 9 9 GLU N N 9 120.351 117.986 2.365 1 1 12 . 13 1 1 A 9 9 GLU H H 9 8.357 8.592 -0.235 1 1 13 . 13 1 1 A 9 9 GLU CA C 9 57.060 55.242 1.818 1 1 14 . 13 1 1 A 9 9 GLU HA H 9 4.129 4.822 -0.693 1 1 15 . 13 1 1 A 9 9 GLU CB C 9 30.173 32.117 -1.944 1 1 18 . 13 1 1 A 9 9 GLU C C 9 176.341 175.068 1.273 1 1 21 . 13 1 1 A 10 10 LYS N N 10 121.224 119.246 1.978 1 1 22 . 13 1 1 A 10 10 LYS H H 10 8.294 8.844 -0.550 1 1 23 . 13 1 1 A 10 10 LYS CA C 10 53.746 56.936 -3.190 1 1 24 . 13 1 1 A 10 10 LYS HA H 10 4.434 3.926 0.508 1 1 25 . 13 1 1 A 10 10 LYS CB C 10 33.720 30.301 3.419 1 1 33 . 13 1 1 A 10 10 LYS C C 10 174.180 176.832 -2.652 1 1 38 . 13 1 1 A 11 11 PRO CA C 11 63.617 64.429 -0.812 1 1 39 . 13 1 1 A 11 11 PRO HA H 11 4.269 4.424 -0.155 1 1 40 . 13 1 1 A 11 11 PRO CB C 11 32.493 31.572 0.921 1 1 46 . 13 1 1 A 11 11 PRO C C 11 176.062 175.766 0.296 1 1 50 . 13 1 1 A 12 12 TYR N N 12 116.760 118.853 -2.093 1 1 51 . 13 1 1 A 12 12 TYR H H 12 7.803 7.896 -0.093 1 1 52 . 13 1 1 A 12 12 TYR CA C 12 55.382 55.214 0.168 1 1 53 . 13 1 1 A 12 12 TYR HA H 12 5.090 5.049 0.041 1 1 54 . 13 1 1 A 12 12 TYR CB C 12 39.070 38.808 0.262 1 1 64 . 13 1 1 A 12 12 TYR C C 12 173.946 173.374 0.572 1 1 66 . 13 1 1 A 13 13 PRO CA C 13 61.323 63.059 -1.736 1 1 67 . 13 1 1 A 13 13 PRO HA H 13 4.946 4.594 0.352 1 1 68 . 13 1 1 A 13 13 PRO CB C 13 32.343 32.284 0.059 1 1 74 . 13 1 1 A 13 13 PRO C C 13 175.848 176.781 -0.933 1 1 78 . 13 1 1 A 14 14 CYS N N 14 122.803 121.942 0.861 1 1 79 . 13 1 1 A 14 14 CYS H H 14 8.973 8.498 0.475 1 1 80 . 13 1 1 A 14 14 CYS CA C 14 59.241 59.098 0.143 1 1 81 . 13 1 1 A 14 14 CYS HA H 14 4.702 4.684 0.018 1 1 82 . 13 1 1 A 14 14 CYS CB C 14 29.646 28.763 0.883 1 1 84 . 13 1 1 A 14 14 CYS C C 14 178.137 176.069 2.068 1 1 86 . 13 1 1 A 15 15 GLU N N 15 132.218 122.841 9.377 1 1 87 . 13 1 1 A 15 15 GLU H H 15 9.723 8.706 1.017 1 1 88 . 13 1 1 A 15 15 GLU CA C 15 58.506 57.795 0.711 1 1 89 . 13 1 1 A 15 15 GLU HA H 15 4.186 4.374 -0.188 1 1 90 . 13 1 1 A 15 15 GLU CB C 15 29.648 30.701 -1.053 1 1 94 . 13 1 1 A 15 15 GLU C C 15 176.120 178.696 -2.576 1 1 97 . 13 1 1 A 16 16 ILE N N 16 121.803 120.775 1.028 1 1 98 . 13 1 1 A 16 16 ILE H H 16 8.900 7.562 1.338 1 1 99 . 13 1 1 A 16 16 ILE CA C 16 63.455 65.230 -1.775 1 1 100 . 13 1 1 A 16 16 ILE HA H 16 3.890 3.422 0.468 1 1 101 . 13 1 1 A 16 16 ILE CB C 16 38.217 37.082 1.135 1 1 113 . 13 1 1 A 16 16 ILE C C 16 177.134 177.877 -0.743 1 1 115 . 13 1 1 A 17 17 CYS N N 17 117.174 115.936 1.238 1 1 116 . 13 1 1 A 17 17 CYS H H 17 8.560 7.227 1.333 1 1 117 . 13 1 1 A 17 17 CYS CA C 17 58.390 59.758 -1.368 1 1 118 . 13 1 1 A 17 17 CYS HA H 17 5.177 4.508 0.669 1 1 119 . 13 1 1 A 17 17 CYS CB C 17 32.618 29.304 3.314 1 1 121 . 13 1 1 A 17 17 CYS C C 17 176.615 175.277 1.338 1 1 123 . 13 1 1 A 18 18 GLY N N 18 113.492 109.586 3.906 1 1 124 . 13 1 1 A 18 18 GLY H H 18 8.159 8.017 0.142 1 1 125 . 13 1 1 A 18 18 GLY CA C 18 46.223 45.374 0.849 1 1 126 . 13 1 1 A 18 18 GLY HA3 H 18 4.282 4.095 0.187 1 1 127 . 13 1 1 A 18 18 GLY C C 18 174.098 174.815 -0.717 1 1 128 . 13 1 1 A 18 18 GLY HA2 H 18 3.827 4.078 -0.251 1 1 129 . 13 1 1 A 19 19 THR N N 19 120.008 116.038 3.970 1 1 130 . 13 1 1 A 19 19 THR H H 19 7.989 7.484 0.505 1 1 131 . 13 1 1 A 19 19 THR CA C 19 64.755 63.768 0.987 1 1 132 . 13 1 1 A 19 19 THR HA H 19 3.921 4.180 -0.259 1 1 133 . 13 1 1 A 19 19 THR CB C 19 68.607 69.360 -0.753 1 1 139 . 13 1 1 A 19 19 THR C C 19 171.898 173.985 -2.087 1 1 140 . 13 1 1 A 20 20 ARG N N 20 123.158 127.292 -4.134 1 1 141 . 13 1 1 A 20 20 ARG H H 20 8.057 8.517 -0.460 1 1 142 . 13 1 1 A 20 20 ARG CA C 20 55.128 55.979 -0.851 1 1 143 . 13 1 1 A 20 20 ARG HA H 20 4.787 4.965 -0.178 1 1 144 . 13 1 1 A 20 20 ARG CB C 20 33.459 32.227 1.232 1 1 150 . 13 1 1 A 20 20 ARG C C 20 174.806 175.592 -0.786 1 1 154 . 13 1 1 A 21 21 PHE N N 21 117.358 118.650 -1.292 1 1 155 . 13 1 1 A 21 21 PHE H H 21 8.245 8.516 -0.271 1 1 156 . 13 1 1 A 21 21 PHE CA C 21 57.360 56.333 1.027 1 1 157 . 13 1 1 A 21 21 PHE HA H 21 4.729 4.909 -0.180 1 1 158 . 13 1 1 A 21 21 PHE CB C 21 42.955 42.499 0.456 1 1 170 . 13 1 1 A 21 21 PHE C C 21 175.256 176.039 -0.783 1 1 172 . 13 1 1 A 22 22 ARG N N 22 120.836 123.523 -2.687 1 1 173 . 13 1 1 A 22 22 ARG H H 22 9.201 8.826 0.375 1 1 174 . 13 1 1 A 22 22 ARG CA C 22 58.190 60.061 -1.871 1 1 175 . 13 1 1 A 22 22 ARG HA H 22 4.325 4.142 0.183 1 1 176 . 13 1 1 A 22 22 ARG CB C 22 31.236 30.388 0.848 1 1 182 . 13 1 1 A 22 22 ARG C C 22 174.935 177.043 -2.108 1 1 186 . 13 1 1 A 23 23 HIS N N 23 113.110 115.632 -2.522 1 1 187 . 13 1 1 A 23 23 HIS H H 23 7.454 8.192 -0.738 1 1 188 . 13 1 1 A 23 23 HIS CA C 23 54.696 54.838 -0.142 1 1 189 . 13 1 1 A 23 23 HIS HA H 23 5.127 4.934 0.193 1 1 190 . 13 1 1 A 23 23 HIS CB C 23 33.623 32.333 1.290 1 1 196 . 13 1 1 A 23 23 HIS C C 23 175.530 175.192 0.338 1 1 198 . 13 1 1 A 24 24 LEU N N 24 127.638 125.245 2.393 1 1 199 . 13 1 1 A 24 24 LEU H H 24 8.521 8.176 0.345 1 1 200 . 13 1 1 A 24 24 LEU CA C 24 57.706 58.061 -0.355 1 1 201 . 13 1 1 A 24 24 LEU HA H 24 3.365 3.629 -0.264 1 1 202 . 13 1 1 A 24 24 LEU CB C 24 41.255 40.908 0.347 1 1 214 . 13 1 1 A 24 24 LEU C C 24 178.985 178.282 0.703 1 1 216 . 13 1 1 A 25 25 GLN N N 25 116.917 116.791 0.126 1 1 217 . 13 1 1 A 25 25 GLN H H 25 9.292 8.133 1.159 1 1 218 . 13 1 1 A 25 25 GLN CA C 25 59.059 58.116 0.943 1 1 219 . 13 1 1 A 25 25 GLN HA H 25 3.908 4.083 -0.175 1 1 220 . 13 1 1 A 25 25 GLN CB C 25 27.816 27.963 -0.147 1 1 227 . 13 1 1 A 25 25 GLN C C 25 177.986 177.445 0.541 1 1 230 . 13 1 1 A 26 26 THR N N 26 114.926 116.405 -1.479 1 1 231 . 13 1 1 A 26 26 THR H H 26 7.057 7.558 -0.501 1 1 232 . 13 1 1 A 26 26 THR CA C 26 64.923 66.458 -1.535 1 1 233 . 13 1 1 A 26 26 THR HA H 26 3.955 4.022 -0.067 1 1 234 . 13 1 1 A 26 26 THR CB C 26 67.976 69.174 -1.198 1 1 240 . 13 1 1 A 26 26 THR C C 26 176.674 176.365 0.309 1 1 241 . 13 1 1 A 27 27 LEU N N 27 123.660 121.279 2.381 1 1 242 . 13 1 1 A 27 27 LEU H H 27 7.152 8.117 -0.965 1 1 243 . 13 1 1 A 27 27 LEU CA C 27 58.092 58.160 -0.068 1 1 244 . 13 1 1 A 27 27 LEU HA H 27 3.244 2.930 0.314 1 1 245 . 13 1 1 A 27 27 LEU CB C 27 39.898 41.360 -1.462 1 1 257 . 13 1 1 A 27 27 LEU C C 27 177.543 178.562 -1.019 1 1 259 . 13 1 1 A 28 28 LYS N N 28 117.443 118.891 -1.448 1 1 260 . 13 1 1 A 28 28 LYS H H 28 8.333 8.100 0.233 1 1 261 . 13 1 1 A 28 28 LYS CA C 28 60.192 59.160 1.032 1 1 262 . 13 1 1 A 28 28 LYS HA H 28 3.846 3.879 -0.033 1 1 263 . 13 1 1 A 28 28 LYS CB C 28 31.791 32.164 -0.373 1 1 271 . 13 1 1 A 28 28 LYS C C 28 179.540 178.494 1.046 1 1 276 . 13 1 1 A 29 29 SER N N 29 113.365 115.037 -1.672 1 1 277 . 13 1 1 A 29 29 SER H H 29 7.689 7.868 -0.179 1 1 278 . 13 1 1 A 29 29 SER CA C 29 61.437 60.606 0.831 1 1 279 . 13 1 1 A 29 29 SER HA H 29 4.180 4.192 -0.012 1 1 280 . 13 1 1 A 29 29 SER CB C 29 62.744 62.983 -0.239 1 1 282 . 13 1 1 A 29 29 SER C C 29 176.740 176.964 -0.224 1 1 284 . 13 1 1 A 30 30 HIS N N 30 123.202 121.448 1.754 1 1 285 . 13 1 1 A 30 30 HIS H H 30 7.860 7.861 -0.001 1 1 286 . 13 1 1 A 30 30 HIS CA C 30 59.371 59.365 0.006 1 1 287 . 13 1 1 A 30 30 HIS HA H 30 4.185 4.203 -0.018 1 1 288 . 13 1 1 A 30 30 HIS CB C 30 28.178 29.515 -1.337 1 1 294 . 13 1 1 A 30 30 HIS C C 30 176.119 177.008 -0.889 1 1 296 . 13 1 1 A 31 31 LEU N N 31 117.061 118.710 -1.649 1 1 297 . 13 1 1 A 31 31 LEU H H 31 8.307 7.708 0.599 1 1 298 . 13 1 1 A 31 31 LEU CA C 31 58.168 56.331 1.837 1 1 299 . 13 1 1 A 31 31 LEU HA H 31 3.836 3.882 -0.046 1 1 300 . 13 1 1 A 31 31 LEU CB C 31 42.239 41.190 1.049 1 1 312 . 13 1 1 A 31 31 LEU C C 31 178.830 178.846 -0.016 1 1 314 . 13 1 1 A 32 32 ARG N N 32 116.244 119.231 -2.987 1 1 315 . 13 1 1 A 32 32 ARG H H 32 7.111 8.004 -0.893 1 1 316 . 13 1 1 A 32 32 ARG CA C 32 58.407 59.539 -1.132 1 1 317 . 13 1 1 A 32 32 ARG HA H 32 4.107 4.010 0.097 1 1 318 . 13 1 1 A 32 32 ARG CB C 32 30.079 29.909 0.170 1 1 324 . 13 1 1 A 32 32 ARG C C 32 178.721 179.205 -0.484 1 1 328 . 13 1 1 A 33 33 ILE N N 33 116.545 117.194 -0.649 1 1 329 . 13 1 1 A 33 33 ILE H H 33 7.956 7.214 0.742 1 1 330 . 13 1 1 A 33 33 ILE CA C 33 63.045 63.706 -0.661 1 1 331 . 13 1 1 A 33 33 ILE HA H 33 4.000 3.865 0.135 1 1 332 . 13 1 1 A 33 33 ILE CB C 33 37.627 37.117 0.510 1 1 344 . 13 1 1 A 33 33 ILE C C 33 177.439 177.983 -0.544 1 1 346 . 13 1 1 A 34 34 HIS N N 34 117.690 119.560 -1.870 1 1 347 . 13 1 1 A 34 34 HIS H H 34 7.296 7.487 -0.191 1 1 348 . 13 1 1 A 34 34 HIS CA C 34 55.177 58.965 -3.788 1 1 349 . 13 1 1 A 34 34 HIS HA H 34 4.881 4.331 0.550 1 1 350 . 13 1 1 A 34 34 HIS CB C 34 28.970 30.735 -1.765 1 1 356 . 13 1 1 A 34 34 HIS C C 34 175.551 175.476 0.075 1 1 358 . 13 1 1 A 35 35 THR N N 35 112.173 111.591 0.582 1 1 359 . 13 1 1 A 35 35 THR H H 35 7.832 7.710 0.122 1 1 360 . 13 1 1 A 35 35 THR CA C 35 62.557 59.725 2.832 1 1 361 . 13 1 1 A 35 35 THR HA H 35 4.368 4.724 -0.356 1 1 362 . 13 1 1 A 35 35 THR CB C 35 69.896 71.058 -1.162 1 1 368 . 13 1 1 A 35 35 THR C C 35 175.372 173.087 2.285 1 1 369 . 13 1 1 A 36 36 GLY N N 36 111.215 113.991 -2.776 1 1 370 . 13 1 1 A 36 36 GLY H H 36 8.360 8.397 -0.037 1 1 371 . 13 1 1 A 36 36 GLY CA C 36 45.502 45.645 -0.143 1 1 372 . 13 1 1 A 36 36 GLY HA3 H 36 3.915 4.123 -0.208 1 1 373 . 13 1 1 A 36 36 GLY C C 36 174.238 172.215 2.023 1 1 374 . 13 1 1 A 36 36 GLY HA2 H 36 4.055 4.120 -0.065 1 1 375 . 13 1 1 A 37 37 SER N N 37 115.499 121.281 -5.782 1 1 376 . 13 1 1 A 37 37 SER H H 37 8.243 9.063 -0.820 1 1 377 . 13 1 1 A 37 37 SER CA C 37 58.511 56.981 1.530 1 1 378 . 13 1 1 A 37 37 SER HA H 37 4.504 5.047 -0.543 1 1 379 . 13 1 1 A 37 37 SER CB C 37 63.971 64.826 -0.855 1 1 381 . 13 1 1 A 37 37 SER C C 37 174.565 173.760 0.805 1 1 383 . 13 1 1 A 38 38 GLY N N 38 110.692 114.372 -3.680 1 1 384 . 13 1 1 A 38 38 GLY H H 38 8.325 8.313 0.012 1 1 385 . 13 1 1 A 38 38 GLY CA C 38 44.654 44.634 0.020 1 1 386 . 13 1 1 A 38 38 GLY HA3 H 38 4.157 4.175 -0.018 1 1 387 . 13 1 1 A 38 38 GLY C C 38 171.814 172.891 -1.077 1 1 388 . 13 1 1 A 38 38 GLY HA2 H 38 4.109 4.174 -0.065 1 1 389 . 13 1 1 A 39 39 PRO CA C 39 63.274 62.546 0.728 1 1 390 . 13 1 1 A 39 39 PRO HA H 39 4.483 4.747 -0.264 1 1 391 . 13 1 1 A 39 39 PRO CB C 39 32.251 30.734 1.517 1 1 397 . 13 1 1 A 39 39 PRO C C 39 177.359 176.536 0.823 1 1 401 . 13 1 1 A 40 40 SER N N 40 116.333 117.742 -1.409 1 1 402 . 13 1 1 A 40 40 SER H H 40 8.515 8.525 -0.010 1 1 1 . 14 1 1 A 7 7 GLY CA C 7 45.530 46.295 -0.765 1 1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.930 3.827 0.103 1 1 3 . 14 1 1 A 7 7 GLY C C 7 174.617 174.609 0.008 1 1 4 . 14 1 1 A 7 7 GLY HA2 H 7 3.930 3.822 0.108 1 1 5 . 14 1 1 A 8 8 GLY N N 8 108.339 112.873 -4.534 1 1 6 . 14 1 1 A 8 8 GLY H H 8 8.199 8.509 -0.310 1 1 7 . 14 1 1 A 8 8 GLY CA C 8 45.038 44.489 0.549 1 1 8 . 14 1 1 A 8 8 GLY HA3 H 8 3.917 4.044 -0.127 1 1 9 . 14 1 1 A 8 8 GLY C C 8 174.079 173.488 0.591 1 1 10 . 14 1 1 A 8 8 GLY HA2 H 8 3.917 4.039 -0.122 1 1 11 . 14 1 1 A 9 9 GLU N N 9 120.351 121.684 -1.333 1 1 12 . 14 1 1 A 9 9 GLU H H 9 8.357 8.365 -0.008 1 1 13 . 14 1 1 A 9 9 GLU CA C 9 57.060 55.311 1.749 1 1 14 . 14 1 1 A 9 9 GLU HA H 9 4.129 4.854 -0.725 1 1 15 . 14 1 1 A 9 9 GLU CB C 9 30.173 32.136 -1.963 1 1 18 . 14 1 1 A 9 9 GLU C C 9 176.341 175.601 0.740 1 1 21 . 14 1 1 A 10 10 LYS N N 10 121.224 124.790 -3.566 1 1 22 . 14 1 1 A 10 10 LYS H H 10 8.294 8.681 -0.387 1 1 23 . 14 1 1 A 10 10 LYS CA C 10 53.746 53.774 -0.028 1 1 24 . 14 1 1 A 10 10 LYS HA H 10 4.434 5.175 -0.741 1 1 25 . 14 1 1 A 10 10 LYS CB C 10 33.720 33.261 0.459 1 1 33 . 14 1 1 A 10 10 LYS C C 10 174.180 175.261 -1.081 1 1 38 . 14 1 1 A 11 11 PRO CA C 11 63.617 64.076 -0.459 1 1 39 . 14 1 1 A 11 11 PRO HA H 11 4.269 4.457 -0.188 1 1 40 . 14 1 1 A 11 11 PRO CB C 11 32.493 31.289 1.204 1 1 46 . 14 1 1 A 11 11 PRO C C 11 176.062 175.727 0.335 1 1 50 . 14 1 1 A 12 12 TYR N N 12 116.760 118.571 -1.811 1 1 51 . 14 1 1 A 12 12 TYR H H 12 7.803 7.913 -0.110 1 1 52 . 14 1 1 A 12 12 TYR CA C 12 55.382 55.219 0.163 1 1 53 . 14 1 1 A 12 12 TYR HA H 12 5.090 5.056 0.034 1 1 54 . 14 1 1 A 12 12 TYR CB C 12 39.070 38.809 0.261 1 1 64 . 14 1 1 A 12 12 TYR C C 12 173.946 173.463 0.483 1 1 66 . 14 1 1 A 13 13 PRO CA C 13 61.323 63.212 -1.889 1 1 67 . 14 1 1 A 13 13 PRO HA H 13 4.946 4.614 0.332 1 1 68 . 14 1 1 A 13 13 PRO CB C 13 32.343 32.137 0.206 1 1 74 . 14 1 1 A 13 13 PRO C C 13 175.848 176.706 -0.858 1 1 78 . 14 1 1 A 14 14 CYS N N 14 122.803 121.774 1.029 1 1 79 . 14 1 1 A 14 14 CYS H H 14 8.973 8.951 0.022 1 1 80 . 14 1 1 A 14 14 CYS CA C 14 59.241 59.005 0.236 1 1 81 . 14 1 1 A 14 14 CYS HA H 14 4.702 4.703 -0.001 1 1 82 . 14 1 1 A 14 14 CYS CB C 14 29.646 28.883 0.763 1 1 84 . 14 1 1 A 14 14 CYS C C 14 178.137 174.754 3.383 1 1 86 . 14 1 1 A 15 15 GLU N N 15 132.218 124.036 8.182 1 1 87 . 14 1 1 A 15 15 GLU H H 15 9.723 8.933 0.790 1 1 88 . 14 1 1 A 15 15 GLU CA C 15 58.506 57.693 0.813 1 1 89 . 14 1 1 A 15 15 GLU HA H 15 4.186 4.382 -0.196 1 1 90 . 14 1 1 A 15 15 GLU CB C 15 29.648 30.297 -0.649 1 1 94 . 14 1 1 A 15 15 GLU C C 15 176.120 178.887 -2.767 1 1 97 . 14 1 1 A 16 16 ILE N N 16 121.803 119.888 1.915 1 1 98 . 14 1 1 A 16 16 ILE H H 16 8.900 7.637 1.263 1 1 99 . 14 1 1 A 16 16 ILE CA C 16 63.455 65.208 -1.753 1 1 100 . 14 1 1 A 16 16 ILE HA H 16 3.890 3.413 0.477 1 1 101 . 14 1 1 A 16 16 ILE CB C 16 38.217 36.980 1.237 1 1 113 . 14 1 1 A 16 16 ILE C C 16 177.134 177.801 -0.667 1 1 115 . 14 1 1 A 17 17 CYS N N 17 117.174 116.204 0.970 1 1 116 . 14 1 1 A 17 17 CYS H H 17 8.560 7.286 1.274 1 1 117 . 14 1 1 A 17 17 CYS CA C 17 58.390 59.883 -1.493 1 1 118 . 14 1 1 A 17 17 CYS HA H 17 5.177 4.481 0.696 1 1 119 . 14 1 1 A 17 17 CYS CB C 17 32.618 28.937 3.681 1 1 121 . 14 1 1 A 17 17 CYS C C 17 176.615 175.242 1.373 1 1 123 . 14 1 1 A 18 18 GLY N N 18 113.492 109.640 3.852 1 1 124 . 14 1 1 A 18 18 GLY H H 18 8.159 8.013 0.146 1 1 125 . 14 1 1 A 18 18 GLY CA C 18 46.223 45.300 0.923 1 1 126 . 14 1 1 A 18 18 GLY HA3 H 18 4.282 4.092 0.190 1 1 127 . 14 1 1 A 18 18 GLY C C 18 174.098 174.773 -0.675 1 1 128 . 14 1 1 A 18 18 GLY HA2 H 18 3.827 4.077 -0.250 1 1 129 . 14 1 1 A 19 19 THR N N 19 120.008 116.085 3.923 1 1 130 . 14 1 1 A 19 19 THR H H 19 7.989 7.457 0.532 1 1 131 . 14 1 1 A 19 19 THR CA C 19 64.755 63.338 1.417 1 1 132 . 14 1 1 A 19 19 THR HA H 19 3.921 4.156 -0.235 1 1 133 . 14 1 1 A 19 19 THR CB C 19 68.607 69.197 -0.590 1 1 139 . 14 1 1 A 19 19 THR C C 19 171.898 174.048 -2.150 1 1 140 . 14 1 1 A 20 20 ARG N N 20 123.158 126.948 -3.790 1 1 141 . 14 1 1 A 20 20 ARG H H 20 8.057 8.371 -0.314 1 1 142 . 14 1 1 A 20 20 ARG CA C 20 55.128 55.206 -0.078 1 1 143 . 14 1 1 A 20 20 ARG HA H 20 4.787 5.002 -0.215 1 1 144 . 14 1 1 A 20 20 ARG CB C 20 33.459 32.903 0.556 1 1 150 . 14 1 1 A 20 20 ARG C C 20 174.806 175.306 -0.500 1 1 154 . 14 1 1 A 21 21 PHE N N 21 117.358 121.502 -4.144 1 1 155 . 14 1 1 A 21 21 PHE H H 21 8.245 9.015 -0.770 1 1 156 . 14 1 1 A 21 21 PHE CA C 21 57.360 56.439 0.921 1 1 157 . 14 1 1 A 21 21 PHE HA H 21 4.729 4.944 -0.215 1 1 158 . 14 1 1 A 21 21 PHE CB C 21 42.955 42.217 0.738 1 1 170 . 14 1 1 A 21 21 PHE C C 21 175.256 176.110 -0.854 1 1 172 . 14 1 1 A 22 22 ARG N N 22 120.836 125.087 -4.251 1 1 173 . 14 1 1 A 22 22 ARG H H 22 9.201 9.018 0.183 1 1 174 . 14 1 1 A 22 22 ARG CA C 22 58.190 59.848 -1.658 1 1 175 . 14 1 1 A 22 22 ARG HA H 22 4.325 4.421 -0.096 1 1 176 . 14 1 1 A 22 22 ARG CB C 22 31.236 30.207 1.029 1 1 182 . 14 1 1 A 22 22 ARG C C 22 174.935 175.760 -0.825 1 1 186 . 14 1 1 A 23 23 HIS N N 23 113.110 114.911 -1.801 1 1 187 . 14 1 1 A 23 23 HIS H H 23 7.454 8.108 -0.654 1 1 188 . 14 1 1 A 23 23 HIS CA C 23 54.696 54.739 -0.043 1 1 189 . 14 1 1 A 23 23 HIS HA H 23 5.127 4.855 0.272 1 1 190 . 14 1 1 A 23 23 HIS CB C 23 33.623 32.663 0.960 1 1 196 . 14 1 1 A 23 23 HIS C C 23 175.530 175.306 0.224 1 1 198 . 14 1 1 A 24 24 LEU N N 24 127.638 124.939 2.699 1 1 199 . 14 1 1 A 24 24 LEU H H 24 8.521 8.211 0.310 1 1 200 . 14 1 1 A 24 24 LEU CA C 24 57.706 57.868 -0.162 1 1 201 . 14 1 1 A 24 24 LEU HA H 24 3.365 3.690 -0.325 1 1 202 . 14 1 1 A 24 24 LEU CB C 24 41.255 41.142 0.113 1 1 214 . 14 1 1 A 24 24 LEU C C 24 178.985 178.266 0.719 1 1 216 . 14 1 1 A 25 25 GLN N N 25 116.917 116.577 0.340 1 1 217 . 14 1 1 A 25 25 GLN H H 25 9.292 8.007 1.285 1 1 218 . 14 1 1 A 25 25 GLN CA C 25 59.059 58.213 0.846 1 1 219 . 14 1 1 A 25 25 GLN HA H 25 3.908 4.055 -0.147 1 1 220 . 14 1 1 A 25 25 GLN CB C 25 27.816 28.237 -0.421 1 1 227 . 14 1 1 A 25 25 GLN C C 25 177.986 177.657 0.329 1 1 230 . 14 1 1 A 26 26 THR N N 26 114.926 117.039 -2.113 1 1 231 . 14 1 1 A 26 26 THR H H 26 7.057 7.668 -0.611 1 1 232 . 14 1 1 A 26 26 THR CA C 26 64.923 66.977 -2.054 1 1 233 . 14 1 1 A 26 26 THR HA H 26 3.955 3.971 -0.016 1 1 234 . 14 1 1 A 26 26 THR CB C 26 67.976 68.434 -0.458 1 1 240 . 14 1 1 A 26 26 THR C C 26 176.674 176.211 0.463 1 1 241 . 14 1 1 A 27 27 LEU N N 27 123.660 121.157 2.503 1 1 242 . 14 1 1 A 27 27 LEU H H 27 7.152 8.086 -0.934 1 1 243 . 14 1 1 A 27 27 LEU CA C 27 58.092 58.227 -0.135 1 1 244 . 14 1 1 A 27 27 LEU HA H 27 3.244 3.036 0.208 1 1 245 . 14 1 1 A 27 27 LEU CB C 27 39.898 41.455 -1.557 1 1 257 . 14 1 1 A 27 27 LEU C C 27 177.543 178.568 -1.025 1 1 259 . 14 1 1 A 28 28 LYS N N 28 117.443 118.514 -1.071 1 1 260 . 14 1 1 A 28 28 LYS H H 28 8.333 8.151 0.182 1 1 261 . 14 1 1 A 28 28 LYS CA C 28 60.192 59.023 1.169 1 1 262 . 14 1 1 A 28 28 LYS HA H 28 3.846 3.898 -0.052 1 1 263 . 14 1 1 A 28 28 LYS CB C 28 31.791 32.249 -0.458 1 1 271 . 14 1 1 A 28 28 LYS C C 28 179.540 178.428 1.112 1 1 276 . 14 1 1 A 29 29 SER N N 29 113.365 115.157 -1.792 1 1 277 . 14 1 1 A 29 29 SER H H 29 7.689 7.579 0.110 1 1 278 . 14 1 1 A 29 29 SER CA C 29 61.437 60.692 0.745 1 1 279 . 14 1 1 A 29 29 SER HA H 29 4.180 4.158 0.022 1 1 280 . 14 1 1 A 29 29 SER CB C 29 62.744 62.763 -0.019 1 1 282 . 14 1 1 A 29 29 SER C C 29 176.740 177.105 -0.365 1 1 284 . 14 1 1 A 30 30 HIS N N 30 123.202 121.883 1.319 1 1 285 . 14 1 1 A 30 30 HIS H H 30 7.860 8.006 -0.146 1 1 286 . 14 1 1 A 30 30 HIS CA C 30 59.371 58.594 0.777 1 1 287 . 14 1 1 A 30 30 HIS HA H 30 4.185 4.209 -0.024 1 1 288 . 14 1 1 A 30 30 HIS CB C 30 28.178 29.464 -1.286 1 1 294 . 14 1 1 A 30 30 HIS C C 30 176.119 176.838 -0.719 1 1 296 . 14 1 1 A 31 31 LEU N N 31 117.061 119.047 -1.986 1 1 297 . 14 1 1 A 31 31 LEU H H 31 8.307 7.499 0.808 1 1 298 . 14 1 1 A 31 31 LEU CA C 31 58.168 55.980 2.188 1 1 299 . 14 1 1 A 31 31 LEU HA H 31 3.836 3.995 -0.159 1 1 300 . 14 1 1 A 31 31 LEU CB C 31 42.239 41.272 0.967 1 1 312 . 14 1 1 A 31 31 LEU C C 31 178.830 178.153 0.677 1 1 314 . 14 1 1 A 32 32 ARG N N 32 116.244 119.999 -3.755 1 1 315 . 14 1 1 A 32 32 ARG H H 32 7.111 7.573 -0.462 1 1 316 . 14 1 1 A 32 32 ARG CA C 32 58.407 59.122 -0.715 1 1 317 . 14 1 1 A 32 32 ARG HA H 32 4.107 3.956 0.151 1 1 318 . 14 1 1 A 32 32 ARG CB C 32 30.079 29.913 0.166 1 1 324 . 14 1 1 A 32 32 ARG C C 32 178.721 178.970 -0.249 1 1 328 . 14 1 1 A 33 33 ILE N N 33 116.545 116.640 -0.095 1 1 329 . 14 1 1 A 33 33 ILE H H 33 7.956 7.119 0.837 1 1 330 . 14 1 1 A 33 33 ILE CA C 33 63.045 63.438 -0.393 1 1 331 . 14 1 1 A 33 33 ILE HA H 33 4.000 3.951 0.049 1 1 332 . 14 1 1 A 33 33 ILE CB C 33 37.627 37.245 0.382 1 1 344 . 14 1 1 A 33 33 ILE C C 33 177.439 178.084 -0.645 1 1 346 . 14 1 1 A 34 34 HIS N N 34 117.690 119.941 -2.251 1 1 347 . 14 1 1 A 34 34 HIS H H 34 7.296 7.741 -0.445 1 1 348 . 14 1 1 A 34 34 HIS CA C 34 55.177 58.757 -3.580 1 1 349 . 14 1 1 A 34 34 HIS HA H 34 4.881 4.425 0.456 1 1 350 . 14 1 1 A 34 34 HIS CB C 34 28.970 31.084 -2.114 1 1 356 . 14 1 1 A 34 34 HIS C C 34 175.551 175.915 -0.364 1 1 358 . 14 1 1 A 35 35 THR N N 35 112.173 111.178 0.995 1 1 359 . 14 1 1 A 35 35 THR H H 35 7.832 7.621 0.211 1 1 360 . 14 1 1 A 35 35 THR CA C 35 62.557 61.210 1.347 1 1 361 . 14 1 1 A 35 35 THR HA H 35 4.368 4.502 -0.134 1 1 362 . 14 1 1 A 35 35 THR CB C 35 69.896 69.608 0.288 1 1 368 . 14 1 1 A 35 35 THR C C 35 175.372 174.878 0.494 1 1 369 . 14 1 1 A 36 36 GLY N N 36 111.215 111.701 -0.486 1 1 370 . 14 1 1 A 36 36 GLY H H 36 8.360 7.871 0.489 1 1 371 . 14 1 1 A 36 36 GLY CA C 36 45.502 46.346 -0.844 1 1 372 . 14 1 1 A 36 36 GLY HA3 H 36 3.915 4.083 -0.168 1 1 373 . 14 1 1 A 36 36 GLY C C 36 174.238 173.558 0.680 1 1 374 . 14 1 1 A 36 36 GLY HA2 H 36 4.055 4.075 -0.020 1 1 375 . 14 1 1 A 37 37 SER N N 37 115.499 119.060 -3.561 1 1 376 . 14 1 1 A 37 37 SER H H 37 8.243 8.277 -0.034 1 1 377 . 14 1 1 A 37 37 SER CA C 37 58.511 59.496 -0.985 1 1 378 . 14 1 1 A 37 37 SER HA H 37 4.504 4.382 0.122 1 1 379 . 14 1 1 A 37 37 SER CB C 37 63.971 63.981 -0.010 1 1 381 . 14 1 1 A 37 37 SER C C 37 174.565 174.720 -0.155 1 1 383 . 14 1 1 A 38 38 GLY N N 38 110.692 110.111 0.581 1 1 384 . 14 1 1 A 38 38 GLY H H 38 8.325 8.453 -0.128 1 1 385 . 14 1 1 A 38 38 GLY CA C 38 44.654 44.411 0.243 1 1 386 . 14 1 1 A 38 38 GLY HA3 H 38 4.157 4.048 0.109 1 1 387 . 14 1 1 A 38 38 GLY C C 38 171.814 174.073 -2.259 1 1 388 . 14 1 1 A 38 38 GLY HA2 H 38 4.109 4.046 0.063 1 1 389 . 14 1 1 A 39 39 PRO CA C 39 63.274 63.748 -0.474 1 1 390 . 14 1 1 A 39 39 PRO HA H 39 4.483 4.529 -0.046 1 1 391 . 14 1 1 A 39 39 PRO CB C 39 32.251 32.028 0.223 1 1 397 . 14 1 1 A 39 39 PRO C C 39 177.359 176.772 0.587 1 1 401 . 14 1 1 A 40 40 SER N N 40 116.333 115.326 1.007 1 1 402 . 14 1 1 A 40 40 SER H H 40 8.515 7.712 0.803 1 1 1 . 15 1 1 A 7 7 GLY CA C 7 45.530 46.304 -0.774 1 1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.930 3.990 -0.060 1 1 3 . 15 1 1 A 7 7 GLY C C 7 174.617 174.185 0.432 1 1 4 . 15 1 1 A 7 7 GLY HA2 H 7 3.930 3.989 -0.059 1 1 5 . 15 1 1 A 8 8 GLY N N 8 108.339 111.698 -3.359 1 1 6 . 15 1 1 A 8 8 GLY H H 8 8.199 8.338 -0.139 1 1 7 . 15 1 1 A 8 8 GLY CA C 8 45.038 44.209 0.829 1 1 8 . 15 1 1 A 8 8 GLY HA3 H 8 3.917 4.104 -0.187 1 1 9 . 15 1 1 A 8 8 GLY C C 8 174.079 173.364 0.715 1 1 10 . 15 1 1 A 8 8 GLY HA2 H 8 3.917 4.097 -0.180 1 1 11 . 15 1 1 A 9 9 GLU N N 9 120.351 120.111 0.240 1 1 12 . 15 1 1 A 9 9 GLU H H 9 8.357 8.505 -0.148 1 1 13 . 15 1 1 A 9 9 GLU CA C 9 57.060 54.949 2.111 1 1 14 . 15 1 1 A 9 9 GLU HA H 9 4.129 5.201 -1.072 1 1 15 . 15 1 1 A 9 9 GLU CB C 9 30.173 34.380 -4.207 1 1 18 . 15 1 1 A 9 9 GLU C C 9 176.341 174.691 1.650 1 1 21 . 15 1 1 A 10 10 LYS N N 10 121.224 121.700 -0.476 1 1 22 . 15 1 1 A 10 10 LYS H H 10 8.294 8.635 -0.341 1 1 23 . 15 1 1 A 10 10 LYS CA C 10 53.746 53.932 -0.186 1 1 24 . 15 1 1 A 10 10 LYS HA H 10 4.434 5.159 -0.725 1 1 25 . 15 1 1 A 10 10 LYS CB C 10 33.720 33.303 0.417 1 1 33 . 15 1 1 A 10 10 LYS C C 10 174.180 175.004 -0.824 1 1 38 . 15 1 1 A 11 11 PRO CA C 11 63.617 64.028 -0.411 1 1 39 . 15 1 1 A 11 11 PRO HA H 11 4.269 4.447 -0.178 1 1 40 . 15 1 1 A 11 11 PRO CB C 11 32.493 31.389 1.104 1 1 46 . 15 1 1 A 11 11 PRO C C 11 176.062 175.702 0.360 1 1 50 . 15 1 1 A 12 12 TYR N N 12 116.760 118.560 -1.800 1 1 51 . 15 1 1 A 12 12 TYR H H 12 7.803 7.913 -0.110 1 1 52 . 15 1 1 A 12 12 TYR CA C 12 55.382 55.109 0.273 1 1 53 . 15 1 1 A 12 12 TYR HA H 12 5.090 5.044 0.046 1 1 54 . 15 1 1 A 12 12 TYR CB C 12 39.070 38.833 0.237 1 1 64 . 15 1 1 A 12 12 TYR C C 12 173.946 173.463 0.483 1 1 66 . 15 1 1 A 13 13 PRO CA C 13 61.323 63.207 -1.884 1 1 67 . 15 1 1 A 13 13 PRO HA H 13 4.946 4.631 0.315 1 1 68 . 15 1 1 A 13 13 PRO CB C 13 32.343 32.077 0.266 1 1 74 . 15 1 1 A 13 13 PRO C C 13 175.848 176.686 -0.838 1 1 78 . 15 1 1 A 14 14 CYS N N 14 122.803 121.786 1.017 1 1 79 . 15 1 1 A 14 14 CYS H H 14 8.973 8.758 0.215 1 1 80 . 15 1 1 A 14 14 CYS CA C 14 59.241 58.919 0.322 1 1 81 . 15 1 1 A 14 14 CYS HA H 14 4.702 4.707 -0.005 1 1 82 . 15 1 1 A 14 14 CYS CB C 14 29.646 28.822 0.824 1 1 84 . 15 1 1 A 14 14 CYS C C 14 178.137 176.439 1.698 1 1 86 . 15 1 1 A 15 15 GLU N N 15 132.218 122.711 9.507 1 1 87 . 15 1 1 A 15 15 GLU H H 15 9.723 8.707 1.016 1 1 88 . 15 1 1 A 15 15 GLU CA C 15 58.506 58.304 0.202 1 1 89 . 15 1 1 A 15 15 GLU HA H 15 4.186 4.305 -0.119 1 1 90 . 15 1 1 A 15 15 GLU CB C 15 29.648 30.683 -1.035 1 1 94 . 15 1 1 A 15 15 GLU C C 15 176.120 178.698 -2.578 1 1 97 . 15 1 1 A 16 16 ILE N N 16 121.803 120.773 1.030 1 1 98 . 15 1 1 A 16 16 ILE H H 16 8.900 7.550 1.350 1 1 99 . 15 1 1 A 16 16 ILE CA C 16 63.455 65.026 -1.571 1 1 100 . 15 1 1 A 16 16 ILE HA H 16 3.890 3.447 0.443 1 1 101 . 15 1 1 A 16 16 ILE CB C 16 38.217 37.040 1.177 1 1 113 . 15 1 1 A 16 16 ILE C C 16 177.134 177.798 -0.664 1 1 115 . 15 1 1 A 17 17 CYS N N 17 117.174 116.483 0.691 1 1 116 . 15 1 1 A 17 17 CYS H H 17 8.560 7.166 1.394 1 1 117 . 15 1 1 A 17 17 CYS CA C 17 58.390 59.761 -1.371 1 1 118 . 15 1 1 A 17 17 CYS HA H 17 5.177 4.494 0.683 1 1 119 . 15 1 1 A 17 17 CYS CB C 17 32.618 28.872 3.746 1 1 121 . 15 1 1 A 17 17 CYS C C 17 176.615 175.237 1.378 1 1 123 . 15 1 1 A 18 18 GLY N N 18 113.492 109.483 4.009 1 1 124 . 15 1 1 A 18 18 GLY H H 18 8.159 8.007 0.152 1 1 125 . 15 1 1 A 18 18 GLY CA C 18 46.223 45.332 0.891 1 1 126 . 15 1 1 A 18 18 GLY HA3 H 18 4.282 4.089 0.193 1 1 127 . 15 1 1 A 18 18 GLY C C 18 174.098 174.802 -0.704 1 1 128 . 15 1 1 A 18 18 GLY HA2 H 18 3.827 4.073 -0.246 1 1 129 . 15 1 1 A 19 19 THR N N 19 120.008 116.148 3.860 1 1 130 . 15 1 1 A 19 19 THR H H 19 7.989 7.404 0.585 1 1 131 . 15 1 1 A 19 19 THR CA C 19 64.755 63.339 1.416 1 1 132 . 15 1 1 A 19 19 THR HA H 19 3.921 4.175 -0.254 1 1 133 . 15 1 1 A 19 19 THR CB C 19 68.607 69.180 -0.573 1 1 139 . 15 1 1 A 19 19 THR C C 19 171.898 173.995 -2.097 1 1 140 . 15 1 1 A 20 20 ARG N N 20 123.158 126.924 -3.766 1 1 141 . 15 1 1 A 20 20 ARG H H 20 8.057 8.475 -0.418 1 1 142 . 15 1 1 A 20 20 ARG CA C 20 55.128 55.276 -0.148 1 1 143 . 15 1 1 A 20 20 ARG HA H 20 4.787 5.210 -0.423 1 1 144 . 15 1 1 A 20 20 ARG CB C 20 33.459 32.621 0.838 1 1 150 . 15 1 1 A 20 20 ARG C C 20 174.806 175.494 -0.688 1 1 154 . 15 1 1 A 21 21 PHE N N 21 117.358 120.208 -2.850 1 1 155 . 15 1 1 A 21 21 PHE H H 21 8.245 8.844 -0.599 1 1 156 . 15 1 1 A 21 21 PHE CA C 21 57.360 56.297 1.063 1 1 157 . 15 1 1 A 21 21 PHE HA H 21 4.729 4.832 -0.103 1 1 158 . 15 1 1 A 21 21 PHE CB C 21 42.955 42.399 0.556 1 1 170 . 15 1 1 A 21 21 PHE C C 21 175.256 175.886 -0.630 1 1 172 . 15 1 1 A 22 22 ARG N N 22 120.836 124.653 -3.817 1 1 173 . 15 1 1 A 22 22 ARG H H 22 9.201 8.872 0.329 1 1 174 . 15 1 1 A 22 22 ARG CA C 22 58.190 59.916 -1.726 1 1 175 . 15 1 1 A 22 22 ARG HA H 22 4.325 4.490 -0.165 1 1 176 . 15 1 1 A 22 22 ARG CB C 22 31.236 30.217 1.019 1 1 182 . 15 1 1 A 22 22 ARG C C 22 174.935 175.801 -0.866 1 1 186 . 15 1 1 A 23 23 HIS N N 23 113.110 114.860 -1.750 1 1 187 . 15 1 1 A 23 23 HIS H H 23 7.454 8.106 -0.652 1 1 188 . 15 1 1 A 23 23 HIS CA C 23 54.696 54.921 -0.225 1 1 189 . 15 1 1 A 23 23 HIS HA H 23 5.127 4.709 0.418 1 1 190 . 15 1 1 A 23 23 HIS CB C 23 33.623 32.889 0.734 1 1 196 . 15 1 1 A 23 23 HIS C C 23 175.530 175.242 0.288 1 1 198 . 15 1 1 A 24 24 LEU N N 24 127.638 124.159 3.479 1 1 199 . 15 1 1 A 24 24 LEU H H 24 8.521 8.291 0.230 1 1 200 . 15 1 1 A 24 24 LEU CA C 24 57.706 56.958 0.748 1 1 201 . 15 1 1 A 24 24 LEU HA H 24 3.365 3.748 -0.383 1 1 202 . 15 1 1 A 24 24 LEU CB C 24 41.255 41.669 -0.414 1 1 214 . 15 1 1 A 24 24 LEU C C 24 178.985 178.387 0.598 1 1 216 . 15 1 1 A 25 25 GLN N N 25 116.917 116.869 0.048 1 1 217 . 15 1 1 A 25 25 GLN H H 25 9.292 8.093 1.199 1 1 218 . 15 1 1 A 25 25 GLN CA C 25 59.059 58.088 0.971 1 1 219 . 15 1 1 A 25 25 GLN HA H 25 3.908 4.072 -0.164 1 1 220 . 15 1 1 A 25 25 GLN CB C 25 27.816 28.060 -0.244 1 1 227 . 15 1 1 A 25 25 GLN C C 25 177.986 177.607 0.379 1 1 230 . 15 1 1 A 26 26 THR N N 26 114.926 117.132 -2.206 1 1 231 . 15 1 1 A 26 26 THR H H 26 7.057 7.673 -0.616 1 1 232 . 15 1 1 A 26 26 THR CA C 26 64.923 66.853 -1.930 1 1 233 . 15 1 1 A 26 26 THR HA H 26 3.955 3.928 0.027 1 1 234 . 15 1 1 A 26 26 THR CB C 26 67.976 68.936 -0.960 1 1 240 . 15 1 1 A 26 26 THR C C 26 176.674 176.154 0.520 1 1 241 . 15 1 1 A 27 27 LEU N N 27 123.660 121.176 2.484 1 1 242 . 15 1 1 A 27 27 LEU H H 27 7.152 7.864 -0.712 1 1 243 . 15 1 1 A 27 27 LEU CA C 27 58.092 58.036 0.056 1 1 244 . 15 1 1 A 27 27 LEU HA H 27 3.244 2.959 0.285 1 1 245 . 15 1 1 A 27 27 LEU CB C 27 39.898 41.356 -1.458 1 1 257 . 15 1 1 A 27 27 LEU C C 27 177.543 178.523 -0.980 1 1 259 . 15 1 1 A 28 28 LYS N N 28 117.443 119.022 -1.579 1 1 260 . 15 1 1 A 28 28 LYS H H 28 8.333 8.129 0.204 1 1 261 . 15 1 1 A 28 28 LYS CA C 28 60.192 58.892 1.300 1 1 262 . 15 1 1 A 28 28 LYS HA H 28 3.846 3.994 -0.148 1 1 263 . 15 1 1 A 28 28 LYS CB C 28 31.791 32.035 -0.244 1 1 271 . 15 1 1 A 28 28 LYS C C 28 179.540 178.558 0.982 1 1 276 . 15 1 1 A 29 29 SER N N 29 113.365 116.601 -3.236 1 1 277 . 15 1 1 A 29 29 SER H H 29 7.689 7.925 -0.236 1 1 278 . 15 1 1 A 29 29 SER CA C 29 61.437 60.903 0.534 1 1 279 . 15 1 1 A 29 29 SER HA H 29 4.180 4.291 -0.111 1 1 280 . 15 1 1 A 29 29 SER CB C 29 62.744 63.489 -0.745 1 1 282 . 15 1 1 A 29 29 SER C C 29 176.740 176.243 0.497 1 1 284 . 15 1 1 A 30 30 HIS N N 30 123.202 122.179 1.023 1 1 285 . 15 1 1 A 30 30 HIS H H 30 7.860 7.858 0.002 1 1 286 . 15 1 1 A 30 30 HIS CA C 30 59.371 58.232 1.139 1 1 287 . 15 1 1 A 30 30 HIS HA H 30 4.185 4.201 -0.016 1 1 288 . 15 1 1 A 30 30 HIS CB C 30 28.178 29.933 -1.755 1 1 294 . 15 1 1 A 30 30 HIS C C 30 176.119 176.873 -0.754 1 1 296 . 15 1 1 A 31 31 LEU N N 31 117.061 118.961 -1.900 1 1 297 . 15 1 1 A 31 31 LEU H H 31 8.307 7.407 0.900 1 1 298 . 15 1 1 A 31 31 LEU CA C 31 58.168 55.792 2.376 1 1 299 . 15 1 1 A 31 31 LEU HA H 31 3.836 3.998 -0.162 1 1 300 . 15 1 1 A 31 31 LEU CB C 31 42.239 41.333 0.906 1 1 312 . 15 1 1 A 31 31 LEU C C 31 178.830 178.097 0.733 1 1 314 . 15 1 1 A 32 32 ARG N N 32 116.244 119.497 -3.253 1 1 315 . 15 1 1 A 32 32 ARG H H 32 7.111 7.413 -0.302 1 1 316 . 15 1 1 A 32 32 ARG CA C 32 58.407 58.662 -0.255 1 1 317 . 15 1 1 A 32 32 ARG HA H 32 4.107 4.011 0.096 1 1 318 . 15 1 1 A 32 32 ARG CB C 32 30.079 29.730 0.349 1 1 324 . 15 1 1 A 32 32 ARG C C 32 178.721 178.384 0.337 1 1 328 . 15 1 1 A 33 33 ILE N N 33 116.545 115.623 0.922 1 1 329 . 15 1 1 A 33 33 ILE H H 33 7.956 6.980 0.976 1 1 330 . 15 1 1 A 33 33 ILE CA C 33 63.045 63.704 -0.659 1 1 331 . 15 1 1 A 33 33 ILE HA H 33 4.000 3.874 0.126 1 1 332 . 15 1 1 A 33 33 ILE CB C 33 37.627 37.276 0.351 1 1 344 . 15 1 1 A 33 33 ILE C C 33 177.439 178.022 -0.583 1 1 346 . 15 1 1 A 34 34 HIS N N 34 117.690 119.441 -1.751 1 1 347 . 15 1 1 A 34 34 HIS H H 34 7.296 7.516 -0.220 1 1 348 . 15 1 1 A 34 34 HIS CA C 34 55.177 59.068 -3.891 1 1 349 . 15 1 1 A 34 34 HIS HA H 34 4.881 4.333 0.548 1 1 350 . 15 1 1 A 34 34 HIS CB C 34 28.970 30.711 -1.741 1 1 356 . 15 1 1 A 34 34 HIS C C 34 175.551 175.464 0.087 1 1 358 . 15 1 1 A 35 35 THR N N 35 112.173 111.873 0.300 1 1 359 . 15 1 1 A 35 35 THR H H 35 7.832 7.716 0.116 1 1 360 . 15 1 1 A 35 35 THR CA C 35 62.557 59.697 2.860 1 1 361 . 15 1 1 A 35 35 THR HA H 35 4.368 4.744 -0.376 1 1 362 . 15 1 1 A 35 35 THR CB C 35 69.896 71.298 -1.402 1 1 368 . 15 1 1 A 35 35 THR C C 35 175.372 173.318 2.054 1 1 369 . 15 1 1 A 36 36 GLY N N 36 111.215 114.888 -3.673 1 1 370 . 15 1 1 A 36 36 GLY H H 36 8.360 8.411 -0.051 1 1 371 . 15 1 1 A 36 36 GLY CA C 36 45.502 45.603 -0.101 1 1 372 . 15 1 1 A 36 36 GLY HA3 H 36 3.915 4.135 -0.220 1 1 373 . 15 1 1 A 36 36 GLY C C 36 174.238 172.674 1.564 1 1 374 . 15 1 1 A 36 36 GLY HA2 H 36 4.055 4.131 -0.076 1 1 375 . 15 1 1 A 37 37 SER N N 37 115.499 113.422 2.077 1 1 376 . 15 1 1 A 37 37 SER H H 37 8.243 8.746 -0.503 1 1 377 . 15 1 1 A 37 37 SER CA C 37 58.511 56.909 1.602 1 1 378 . 15 1 1 A 37 37 SER HA H 37 4.504 5.359 -0.855 1 1 379 . 15 1 1 A 37 37 SER CB C 37 63.971 64.878 -0.907 1 1 381 . 15 1 1 A 37 37 SER C C 37 174.565 173.597 0.968 1 1 383 . 15 1 1 A 38 38 GLY N N 38 110.692 111.271 -0.579 1 1 384 . 15 1 1 A 38 38 GLY H H 38 8.325 8.744 -0.419 1 1 385 . 15 1 1 A 38 38 GLY CA C 38 44.654 44.369 0.285 1 1 386 . 15 1 1 A 38 38 GLY HA3 H 38 4.157 4.173 -0.016 1 1 387 . 15 1 1 A 38 38 GLY C C 38 171.814 172.466 -0.652 1 1 388 . 15 1 1 A 38 38 GLY HA2 H 38 4.109 4.173 -0.064 1 1 389 . 15 1 1 A 39 39 PRO CA C 39 63.274 62.492 0.782 1 1 390 . 15 1 1 A 39 39 PRO HA H 39 4.483 4.712 -0.229 1 1 391 . 15 1 1 A 39 39 PRO CB C 39 32.251 31.172 1.079 1 1 397 . 15 1 1 A 39 39 PRO C C 39 177.359 176.849 0.510 1 1 401 . 15 1 1 A 40 40 SER N N 40 116.333 120.519 -4.186 1 1 402 . 15 1 1 A 40 40 SER H H 40 8.515 8.956 -0.441 1 1 1 . 16 1 1 A 7 7 GLY CA C 7 45.530 47.086 -1.556 1 1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.930 3.912 0.018 1 1 3 . 16 1 1 A 7 7 GLY C C 7 174.617 175.642 -1.025 1 1 4 . 16 1 1 A 7 7 GLY HA2 H 7 3.930 3.912 0.018 1 1 5 . 16 1 1 A 8 8 GLY N N 8 108.339 106.167 2.172 1 1 6 . 16 1 1 A 8 8 GLY H H 8 8.199 8.163 0.036 1 1 7 . 16 1 1 A 8 8 GLY CA C 8 45.038 45.812 -0.774 1 1 8 . 16 1 1 A 8 8 GLY HA3 H 8 3.917 4.154 -0.237 1 1 9 . 16 1 1 A 8 8 GLY C C 8 174.079 174.006 0.073 1 1 10 . 16 1 1 A 8 8 GLY HA2 H 8 3.917 4.138 -0.221 1 1 11 . 16 1 1 A 9 9 GLU N N 9 120.351 121.602 -1.251 1 1 12 . 16 1 1 A 9 9 GLU H H 9 8.357 7.894 0.463 1 1 13 . 16 1 1 A 9 9 GLU CA C 9 57.060 57.214 -0.154 1 1 14 . 16 1 1 A 9 9 GLU HA H 9 4.129 4.277 -0.148 1 1 15 . 16 1 1 A 9 9 GLU CB C 9 30.173 30.487 -0.314 1 1 18 . 16 1 1 A 9 9 GLU C C 9 176.341 176.289 0.052 1 1 21 . 16 1 1 A 10 10 LYS N N 10 121.224 123.055 -1.831 1 1 22 . 16 1 1 A 10 10 LYS H H 10 8.294 8.285 0.009 1 1 23 . 16 1 1 A 10 10 LYS CA C 10 53.746 53.882 -0.136 1 1 24 . 16 1 1 A 10 10 LYS HA H 10 4.434 5.152 -0.718 1 1 25 . 16 1 1 A 10 10 LYS CB C 10 33.720 33.113 0.607 1 1 33 . 16 1 1 A 10 10 LYS C C 10 174.180 175.295 -1.115 1 1 38 . 16 1 1 A 11 11 PRO CA C 11 63.617 64.064 -0.447 1 1 39 . 16 1 1 A 11 11 PRO HA H 11 4.269 4.448 -0.179 1 1 40 . 16 1 1 A 11 11 PRO CB C 11 32.493 31.255 1.238 1 1 46 . 16 1 1 A 11 11 PRO C C 11 176.062 175.709 0.353 1 1 50 . 16 1 1 A 12 12 TYR N N 12 116.760 118.562 -1.802 1 1 51 . 16 1 1 A 12 12 TYR H H 12 7.803 7.906 -0.103 1 1 52 . 16 1 1 A 12 12 TYR CA C 12 55.382 55.221 0.161 1 1 53 . 16 1 1 A 12 12 TYR HA H 12 5.090 5.057 0.033 1 1 54 . 16 1 1 A 12 12 TYR CB C 12 39.070 38.805 0.265 1 1 64 . 16 1 1 A 12 12 TYR C C 12 173.946 173.461 0.485 1 1 66 . 16 1 1 A 13 13 PRO CA C 13 61.323 63.206 -1.883 1 1 67 . 16 1 1 A 13 13 PRO HA H 13 4.946 4.626 0.320 1 1 68 . 16 1 1 A 13 13 PRO CB C 13 32.343 32.130 0.213 1 1 74 . 16 1 1 A 13 13 PRO C C 13 175.848 176.704 -0.856 1 1 78 . 16 1 1 A 14 14 CYS N N 14 122.803 121.772 1.031 1 1 79 . 16 1 1 A 14 14 CYS H H 14 8.973 8.837 0.136 1 1 80 . 16 1 1 A 14 14 CYS CA C 14 59.241 59.011 0.230 1 1 81 . 16 1 1 A 14 14 CYS HA H 14 4.702 4.715 -0.013 1 1 82 . 16 1 1 A 14 14 CYS CB C 14 29.646 28.780 0.866 1 1 84 . 16 1 1 A 14 14 CYS C C 14 178.137 174.772 3.365 1 1 86 . 16 1 1 A 15 15 GLU N N 15 132.218 124.064 8.154 1 1 87 . 16 1 1 A 15 15 GLU H H 15 9.723 8.932 0.791 1 1 88 . 16 1 1 A 15 15 GLU CA C 15 58.506 57.756 0.750 1 1 89 . 16 1 1 A 15 15 GLU HA H 15 4.186 4.357 -0.171 1 1 90 . 16 1 1 A 15 15 GLU CB C 15 29.648 30.230 -0.582 1 1 94 . 16 1 1 A 15 15 GLU C C 15 176.120 179.001 -2.881 1 1 97 . 16 1 1 A 16 16 ILE N N 16 121.803 119.919 1.884 1 1 98 . 16 1 1 A 16 16 ILE H H 16 8.900 7.673 1.227 1 1 99 . 16 1 1 A 16 16 ILE CA C 16 63.455 65.238 -1.783 1 1 100 . 16 1 1 A 16 16 ILE HA H 16 3.890 3.449 0.441 1 1 101 . 16 1 1 A 16 16 ILE CB C 16 38.217 37.149 1.068 1 1 113 . 16 1 1 A 16 16 ILE C C 16 177.134 177.827 -0.693 1 1 115 . 16 1 1 A 17 17 CYS N N 17 117.174 116.800 0.374 1 1 116 . 16 1 1 A 17 17 CYS H H 17 8.560 7.305 1.255 1 1 117 . 16 1 1 A 17 17 CYS CA C 17 58.390 59.887 -1.497 1 1 118 . 16 1 1 A 17 17 CYS HA H 17 5.177 4.470 0.707 1 1 119 . 16 1 1 A 17 17 CYS CB C 17 32.618 28.867 3.751 1 1 121 . 16 1 1 A 17 17 CYS C C 17 176.615 175.243 1.372 1 1 123 . 16 1 1 A 18 18 GLY N N 18 113.492 109.637 3.855 1 1 124 . 16 1 1 A 18 18 GLY H H 18 8.159 8.016 0.143 1 1 125 . 16 1 1 A 18 18 GLY CA C 18 46.223 45.301 0.922 1 1 126 . 16 1 1 A 18 18 GLY HA3 H 18 4.282 4.094 0.188 1 1 127 . 16 1 1 A 18 18 GLY C C 18 174.098 174.774 -0.676 1 1 128 . 16 1 1 A 18 18 GLY HA2 H 18 3.827 4.076 -0.249 1 1 129 . 16 1 1 A 19 19 THR N N 19 120.008 116.076 3.932 1 1 130 . 16 1 1 A 19 19 THR H H 19 7.989 7.453 0.536 1 1 131 . 16 1 1 A 19 19 THR CA C 19 64.755 63.263 1.492 1 1 132 . 16 1 1 A 19 19 THR HA H 19 3.921 4.165 -0.244 1 1 133 . 16 1 1 A 19 19 THR CB C 19 68.607 69.205 -0.598 1 1 139 . 16 1 1 A 19 19 THR C C 19 171.898 174.013 -2.115 1 1 140 . 16 1 1 A 20 20 ARG N N 20 123.158 127.172 -4.014 1 1 141 . 16 1 1 A 20 20 ARG H H 20 8.057 8.440 -0.383 1 1 142 . 16 1 1 A 20 20 ARG CA C 20 55.128 55.242 -0.114 1 1 143 . 16 1 1 A 20 20 ARG HA H 20 4.787 4.995 -0.208 1 1 144 . 16 1 1 A 20 20 ARG CB C 20 33.459 32.710 0.749 1 1 150 . 16 1 1 A 20 20 ARG C C 20 174.806 175.339 -0.533 1 1 154 . 16 1 1 A 21 21 PHE N N 21 117.358 121.108 -3.750 1 1 155 . 16 1 1 A 21 21 PHE H H 21 8.245 8.955 -0.710 1 1 156 . 16 1 1 A 21 21 PHE CA C 21 57.360 56.272 1.088 1 1 157 . 16 1 1 A 21 21 PHE HA H 21 4.729 4.912 -0.183 1 1 158 . 16 1 1 A 21 21 PHE CB C 21 42.955 42.182 0.773 1 1 170 . 16 1 1 A 21 21 PHE C C 21 175.256 175.981 -0.725 1 1 172 . 16 1 1 A 22 22 ARG N N 22 120.836 125.207 -4.371 1 1 173 . 16 1 1 A 22 22 ARG H H 22 9.201 9.010 0.191 1 1 174 . 16 1 1 A 22 22 ARG CA C 22 58.190 59.821 -1.631 1 1 175 . 16 1 1 A 22 22 ARG HA H 22 4.325 4.439 -0.114 1 1 176 . 16 1 1 A 22 22 ARG CB C 22 31.236 30.223 1.013 1 1 182 . 16 1 1 A 22 22 ARG C C 22 174.935 175.744 -0.809 1 1 186 . 16 1 1 A 23 23 HIS N N 23 113.110 114.675 -1.565 1 1 187 . 16 1 1 A 23 23 HIS H H 23 7.454 8.105 -0.651 1 1 188 . 16 1 1 A 23 23 HIS CA C 23 54.696 54.755 -0.059 1 1 189 . 16 1 1 A 23 23 HIS HA H 23 5.127 4.831 0.296 1 1 190 . 16 1 1 A 23 23 HIS CB C 23 33.623 33.000 0.623 1 1 196 . 16 1 1 A 23 23 HIS C C 23 175.530 175.397 0.133 1 1 198 . 16 1 1 A 24 24 LEU N N 24 127.638 124.871 2.767 1 1 199 . 16 1 1 A 24 24 LEU H H 24 8.521 8.199 0.322 1 1 200 . 16 1 1 A 24 24 LEU CA C 24 57.706 57.855 -0.149 1 1 201 . 16 1 1 A 24 24 LEU HA H 24 3.365 3.687 -0.322 1 1 202 . 16 1 1 A 24 24 LEU CB C 24 41.255 41.102 0.153 1 1 214 . 16 1 1 A 24 24 LEU C C 24 178.985 178.248 0.737 1 1 216 . 16 1 1 A 25 25 GLN N N 25 116.917 116.571 0.346 1 1 217 . 16 1 1 A 25 25 GLN H H 25 9.292 7.997 1.295 1 1 218 . 16 1 1 A 25 25 GLN CA C 25 59.059 58.157 0.902 1 1 219 . 16 1 1 A 25 25 GLN HA H 25 3.908 4.043 -0.135 1 1 220 . 16 1 1 A 25 25 GLN CB C 25 27.816 28.242 -0.426 1 1 227 . 16 1 1 A 25 25 GLN C C 25 177.986 177.643 0.343 1 1 230 . 16 1 1 A 26 26 THR N N 26 114.926 116.755 -1.829 1 1 231 . 16 1 1 A 26 26 THR H H 26 7.057 7.656 -0.599 1 1 232 . 16 1 1 A 26 26 THR CA C 26 64.923 66.946 -2.023 1 1 233 . 16 1 1 A 26 26 THR HA H 26 3.955 3.978 -0.023 1 1 234 . 16 1 1 A 26 26 THR CB C 26 67.976 68.665 -0.689 1 1 240 . 16 1 1 A 26 26 THR C C 26 176.674 176.240 0.434 1 1 241 . 16 1 1 A 27 27 LEU N N 27 123.660 121.293 2.367 1 1 242 . 16 1 1 A 27 27 LEU H H 27 7.152 8.217 -1.065 1 1 243 . 16 1 1 A 27 27 LEU CA C 27 58.092 58.197 -0.105 1 1 244 . 16 1 1 A 27 27 LEU HA H 27 3.244 3.016 0.228 1 1 245 . 16 1 1 A 27 27 LEU CB C 27 39.898 41.336 -1.438 1 1 257 . 16 1 1 A 27 27 LEU C C 27 177.543 178.636 -1.093 1 1 259 . 16 1 1 A 28 28 LYS N N 28 117.443 118.693 -1.250 1 1 260 . 16 1 1 A 28 28 LYS H H 28 8.333 8.088 0.245 1 1 261 . 16 1 1 A 28 28 LYS CA C 28 60.192 59.045 1.147 1 1 262 . 16 1 1 A 28 28 LYS HA H 28 3.846 3.892 -0.046 1 1 263 . 16 1 1 A 28 28 LYS CB C 28 31.791 32.239 -0.448 1 1 271 . 16 1 1 A 28 28 LYS C C 28 179.540 178.590 0.950 1 1 276 . 16 1 1 A 29 29 SER N N 29 113.365 116.776 -3.411 1 1 277 . 16 1 1 A 29 29 SER H H 29 7.689 7.721 -0.032 1 1 278 . 16 1 1 A 29 29 SER CA C 29 61.437 60.845 0.592 1 1 279 . 16 1 1 A 29 29 SER HA H 29 4.180 4.290 -0.110 1 1 280 . 16 1 1 A 29 29 SER CB C 29 62.744 63.552 -0.808 1 1 282 . 16 1 1 A 29 29 SER C C 29 176.740 176.172 0.568 1 1 284 . 16 1 1 A 30 30 HIS N N 30 123.202 121.776 1.426 1 1 285 . 16 1 1 A 30 30 HIS H H 30 7.860 7.872 -0.012 1 1 286 . 16 1 1 A 30 30 HIS CA C 30 59.371 58.293 1.078 1 1 287 . 16 1 1 A 30 30 HIS HA H 30 4.185 4.168 0.017 1 1 288 . 16 1 1 A 30 30 HIS CB C 30 28.178 29.644 -1.466 1 1 294 . 16 1 1 A 30 30 HIS C C 30 176.119 176.872 -0.753 1 1 296 . 16 1 1 A 31 31 LEU N N 31 117.061 118.966 -1.905 1 1 297 . 16 1 1 A 31 31 LEU H H 31 8.307 7.577 0.730 1 1 298 . 16 1 1 A 31 31 LEU CA C 31 58.168 56.106 2.062 1 1 299 . 16 1 1 A 31 31 LEU HA H 31 3.836 3.973 -0.137 1 1 300 . 16 1 1 A 31 31 LEU CB C 31 42.239 41.227 1.012 1 1 312 . 16 1 1 A 31 31 LEU C C 31 178.830 178.566 0.264 1 1 314 . 16 1 1 A 32 32 ARG N N 32 116.244 119.703 -3.459 1 1 315 . 16 1 1 A 32 32 ARG H H 32 7.111 7.846 -0.735 1 1 316 . 16 1 1 A 32 32 ARG CA C 32 58.407 59.115 -0.708 1 1 317 . 16 1 1 A 32 32 ARG HA H 32 4.107 3.982 0.125 1 1 318 . 16 1 1 A 32 32 ARG CB C 32 30.079 29.997 0.082 1 1 324 . 16 1 1 A 32 32 ARG C C 32 178.721 179.120 -0.399 1 1 328 . 16 1 1 A 33 33 ILE N N 33 116.545 117.114 -0.569 1 1 329 . 16 1 1 A 33 33 ILE H H 33 7.956 7.188 0.768 1 1 330 . 16 1 1 A 33 33 ILE CA C 33 63.045 63.234 -0.189 1 1 331 . 16 1 1 A 33 33 ILE HA H 33 4.000 3.926 0.074 1 1 332 . 16 1 1 A 33 33 ILE CB C 33 37.627 37.382 0.245 1 1 344 . 16 1 1 A 33 33 ILE C C 33 177.439 177.960 -0.521 1 1 346 . 16 1 1 A 34 34 HIS N N 34 117.690 120.836 -3.146 1 1 347 . 16 1 1 A 34 34 HIS H H 34 7.296 7.341 -0.045 1 1 348 . 16 1 1 A 34 34 HIS CA C 34 55.177 59.068 -3.891 1 1 349 . 16 1 1 A 34 34 HIS HA H 34 4.881 4.468 0.413 1 1 350 . 16 1 1 A 34 34 HIS CB C 34 28.970 29.892 -0.922 1 1 356 . 16 1 1 A 34 34 HIS C C 34 175.551 177.887 -2.336 1 1 358 . 16 1 1 A 35 35 THR N N 35 112.173 112.489 -0.316 1 1 359 . 16 1 1 A 35 35 THR H H 35 7.832 8.026 -0.194 1 1 360 . 16 1 1 A 35 35 THR CA C 35 62.557 65.540 -2.983 1 1 361 . 16 1 1 A 35 35 THR HA H 35 4.368 3.907 0.461 1 1 362 . 16 1 1 A 35 35 THR CB C 35 69.896 68.798 1.098 1 1 368 . 16 1 1 A 35 35 THR C C 35 175.372 176.835 -1.463 1 1 369 . 16 1 1 A 36 36 GLY N N 36 111.215 107.974 3.241 1 1 370 . 16 1 1 A 36 36 GLY H H 36 8.360 7.946 0.414 1 1 371 . 16 1 1 A 36 36 GLY CA C 36 45.502 47.143 -1.641 1 1 372 . 16 1 1 A 36 36 GLY HA3 H 36 3.915 3.771 0.144 1 1 373 . 16 1 1 A 36 36 GLY C C 36 174.238 174.887 -0.649 1 1 374 . 16 1 1 A 36 36 GLY HA2 H 36 4.055 3.764 0.291 1 1 375 . 16 1 1 A 37 37 SER N N 37 115.499 115.319 0.180 1 1 376 . 16 1 1 A 37 37 SER H H 37 8.243 7.842 0.401 1 1 377 . 16 1 1 A 37 37 SER CA C 37 58.511 59.586 -1.075 1 1 378 . 16 1 1 A 37 37 SER HA H 37 4.504 4.279 0.225 1 1 379 . 16 1 1 A 37 37 SER CB C 37 63.971 63.120 0.851 1 1 381 . 16 1 1 A 37 37 SER C C 37 174.565 174.410 0.155 1 1 383 . 16 1 1 A 38 38 GLY N N 38 110.692 114.373 -3.681 1 1 384 . 16 1 1 A 38 38 GLY H H 38 8.325 8.565 -0.240 1 1 385 . 16 1 1 A 38 38 GLY CA C 38 44.654 44.488 0.166 1 1 386 . 16 1 1 A 38 38 GLY HA3 H 38 4.157 4.129 0.028 1 1 387 . 16 1 1 A 38 38 GLY C C 38 171.814 173.547 -1.733 1 1 388 . 16 1 1 A 38 38 GLY HA2 H 38 4.109 4.122 -0.013 1 1 389 . 16 1 1 A 39 39 PRO CA C 39 63.274 62.791 0.483 1 1 390 . 16 1 1 A 39 39 PRO HA H 39 4.483 4.742 -0.259 1 1 391 . 16 1 1 A 39 39 PRO CB C 39 32.251 31.662 0.589 1 1 397 . 16 1 1 A 39 39 PRO C C 39 177.359 176.203 1.156 1 1 401 . 16 1 1 A 40 40 SER N N 40 116.333 114.979 1.354 1 1 402 . 16 1 1 A 40 40 SER H H 40 8.515 8.579 -0.064 1 1 1 . 17 1 1 A 7 7 GLY CA C 7 45.530 45.983 -0.453 1 1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.930 4.083 -0.153 1 1 3 . 17 1 1 A 7 7 GLY C C 7 174.617 172.984 1.633 1 1 4 . 17 1 1 A 7 7 GLY HA2 H 7 3.930 4.080 -0.150 1 1 5 . 17 1 1 A 8 8 GLY N N 8 108.339 109.935 -1.596 1 1 6 . 17 1 1 A 8 8 GLY H H 8 8.199 8.087 0.112 1 1 7 . 17 1 1 A 8 8 GLY CA C 8 45.038 46.108 -1.070 1 1 8 . 17 1 1 A 8 8 GLY HA3 H 8 3.917 4.085 -0.168 1 1 9 . 17 1 1 A 8 8 GLY C C 8 174.079 172.741 1.338 1 1 10 . 17 1 1 A 8 8 GLY HA2 H 8 3.917 4.072 -0.155 1 1 11 . 17 1 1 A 9 9 GLU N N 9 120.351 125.252 -4.901 1 1 12 . 17 1 1 A 9 9 GLU H H 9 8.357 9.171 -0.814 1 1 13 . 17 1 1 A 9 9 GLU CA C 9 57.060 54.945 2.115 1 1 14 . 17 1 1 A 9 9 GLU HA H 9 4.129 4.912 -0.783 1 1 15 . 17 1 1 A 9 9 GLU CB C 9 30.173 32.572 -2.399 1 1 18 . 17 1 1 A 9 9 GLU C C 9 176.341 175.602 0.739 1 1 21 . 17 1 1 A 10 10 LYS N N 10 121.224 122.139 -0.915 1 1 22 . 17 1 1 A 10 10 LYS H H 10 8.294 8.631 -0.337 1 1 23 . 17 1 1 A 10 10 LYS CA C 10 53.746 53.873 -0.127 1 1 24 . 17 1 1 A 10 10 LYS HA H 10 4.434 5.149 -0.715 1 1 25 . 17 1 1 A 10 10 LYS CB C 10 33.720 33.215 0.505 1 1 33 . 17 1 1 A 10 10 LYS C C 10 174.180 175.130 -0.950 1 1 38 . 17 1 1 A 11 11 PRO CA C 11 63.617 64.009 -0.392 1 1 39 . 17 1 1 A 11 11 PRO HA H 11 4.269 4.430 -0.161 1 1 40 . 17 1 1 A 11 11 PRO CB C 11 32.493 31.398 1.095 1 1 46 . 17 1 1 A 11 11 PRO C C 11 176.062 175.687 0.375 1 1 50 . 17 1 1 A 12 12 TYR N N 12 116.760 118.570 -1.810 1 1 51 . 17 1 1 A 12 12 TYR H H 12 7.803 7.885 -0.082 1 1 52 . 17 1 1 A 12 12 TYR CA C 12 55.382 55.208 0.174 1 1 53 . 17 1 1 A 12 12 TYR HA H 12 5.090 5.043 0.047 1 1 54 . 17 1 1 A 12 12 TYR CB C 12 39.070 38.817 0.253 1 1 64 . 17 1 1 A 12 12 TYR C C 12 173.946 173.519 0.427 1 1 66 . 17 1 1 A 13 13 PRO CA C 13 61.323 63.103 -1.780 1 1 67 . 17 1 1 A 13 13 PRO HA H 13 4.946 4.644 0.302 1 1 68 . 17 1 1 A 13 13 PRO CB C 13 32.343 32.233 0.110 1 1 74 . 17 1 1 A 13 13 PRO C C 13 175.848 176.428 -0.580 1 1 78 . 17 1 1 A 14 14 CYS N N 14 122.803 121.635 1.168 1 1 79 . 17 1 1 A 14 14 CYS H H 14 8.973 8.542 0.431 1 1 80 . 17 1 1 A 14 14 CYS CA C 14 59.241 58.513 0.728 1 1 81 . 17 1 1 A 14 14 CYS HA H 14 4.702 4.832 -0.130 1 1 82 . 17 1 1 A 14 14 CYS CB C 14 29.646 28.997 0.649 1 1 84 . 17 1 1 A 14 14 CYS C C 14 178.137 174.810 3.327 1 1 86 . 17 1 1 A 15 15 GLU N N 15 132.218 124.679 7.539 1 1 87 . 17 1 1 A 15 15 GLU H H 15 9.723 8.939 0.784 1 1 88 . 17 1 1 A 15 15 GLU CA C 15 58.506 58.099 0.407 1 1 89 . 17 1 1 A 15 15 GLU HA H 15 4.186 4.331 -0.145 1 1 90 . 17 1 1 A 15 15 GLU CB C 15 29.648 30.190 -0.542 1 1 94 . 17 1 1 A 15 15 GLU C C 15 176.120 178.893 -2.773 1 1 97 . 17 1 1 A 16 16 ILE N N 16 121.803 119.798 2.005 1 1 98 . 17 1 1 A 16 16 ILE H H 16 8.900 7.581 1.319 1 1 99 . 17 1 1 A 16 16 ILE CA C 16 63.455 65.042 -1.587 1 1 100 . 17 1 1 A 16 16 ILE HA H 16 3.890 3.442 0.448 1 1 101 . 17 1 1 A 16 16 ILE CB C 16 38.217 37.066 1.151 1 1 113 . 17 1 1 A 16 16 ILE C C 16 177.134 177.787 -0.653 1 1 115 . 17 1 1 A 17 17 CYS N N 17 117.174 116.266 0.908 1 1 116 . 17 1 1 A 17 17 CYS H H 17 8.560 7.237 1.323 1 1 117 . 17 1 1 A 17 17 CYS CA C 17 58.390 59.842 -1.452 1 1 118 . 17 1 1 A 17 17 CYS HA H 17 5.177 4.500 0.677 1 1 119 . 17 1 1 A 17 17 CYS CB C 17 32.618 29.122 3.496 1 1 121 . 17 1 1 A 17 17 CYS C C 17 176.615 175.271 1.344 1 1 123 . 17 1 1 A 18 18 GLY N N 18 113.492 109.533 3.959 1 1 124 . 17 1 1 A 18 18 GLY H H 18 8.159 8.031 0.128 1 1 125 . 17 1 1 A 18 18 GLY CA C 18 46.223 45.343 0.880 1 1 126 . 17 1 1 A 18 18 GLY HA3 H 18 4.282 4.090 0.192 1 1 127 . 17 1 1 A 18 18 GLY C C 18 174.098 174.809 -0.711 1 1 128 . 17 1 1 A 18 18 GLY HA2 H 18 3.827 4.072 -0.245 1 1 129 . 17 1 1 A 19 19 THR N N 19 120.008 116.116 3.892 1 1 130 . 17 1 1 A 19 19 THR H H 19 7.989 7.475 0.514 1 1 131 . 17 1 1 A 19 19 THR CA C 19 64.755 63.717 1.038 1 1 132 . 17 1 1 A 19 19 THR HA H 19 3.921 4.172 -0.251 1 1 133 . 17 1 1 A 19 19 THR CB C 19 68.607 69.242 -0.635 1 1 139 . 17 1 1 A 19 19 THR C C 19 171.898 173.985 -2.087 1 1 140 . 17 1 1 A 20 20 ARG N N 20 123.158 127.373 -4.215 1 1 141 . 17 1 1 A 20 20 ARG H H 20 8.057 8.458 -0.401 1 1 142 . 17 1 1 A 20 20 ARG CA C 20 55.128 55.989 -0.861 1 1 143 . 17 1 1 A 20 20 ARG HA H 20 4.787 5.121 -0.334 1 1 144 . 17 1 1 A 20 20 ARG CB C 20 33.459 32.156 1.303 1 1 150 . 17 1 1 A 20 20 ARG C C 20 174.806 175.577 -0.771 1 1 154 . 17 1 1 A 21 21 PHE N N 21 117.358 119.007 -1.649 1 1 155 . 17 1 1 A 21 21 PHE H H 21 8.245 8.690 -0.445 1 1 156 . 17 1 1 A 21 21 PHE CA C 21 57.360 56.336 1.024 1 1 157 . 17 1 1 A 21 21 PHE HA H 21 4.729 4.900 -0.171 1 1 158 . 17 1 1 A 21 21 PHE CB C 21 42.955 42.496 0.459 1 1 170 . 17 1 1 A 21 21 PHE C C 21 175.256 175.840 -0.584 1 1 172 . 17 1 1 A 22 22 ARG N N 22 120.836 125.657 -4.821 1 1 173 . 17 1 1 A 22 22 ARG H H 22 9.201 8.992 0.209 1 1 174 . 17 1 1 A 22 22 ARG CA C 22 58.190 59.690 -1.500 1 1 175 . 17 1 1 A 22 22 ARG HA H 22 4.325 4.428 -0.103 1 1 176 . 17 1 1 A 22 22 ARG CB C 22 31.236 30.307 0.929 1 1 182 . 17 1 1 A 22 22 ARG C C 22 174.935 175.648 -0.713 1 1 186 . 17 1 1 A 23 23 HIS N N 23 113.110 115.001 -1.891 1 1 187 . 17 1 1 A 23 23 HIS H H 23 7.454 8.166 -0.712 1 1 188 . 17 1 1 A 23 23 HIS CA C 23 54.696 55.049 -0.353 1 1 189 . 17 1 1 A 23 23 HIS HA H 23 5.127 4.774 0.353 1 1 190 . 17 1 1 A 23 23 HIS CB C 23 33.623 32.320 1.303 1 1 196 . 17 1 1 A 23 23 HIS C C 23 175.530 175.207 0.323 1 1 198 . 17 1 1 A 24 24 LEU N N 24 127.638 124.957 2.681 1 1 199 . 17 1 1 A 24 24 LEU H H 24 8.521 8.350 0.171 1 1 200 . 17 1 1 A 24 24 LEU CA C 24 57.706 57.840 -0.134 1 1 201 . 17 1 1 A 24 24 LEU HA H 24 3.365 3.689 -0.324 1 1 202 . 17 1 1 A 24 24 LEU CB C 24 41.255 41.383 -0.128 1 1 214 . 17 1 1 A 24 24 LEU C C 24 178.985 178.263 0.722 1 1 216 . 17 1 1 A 25 25 GLN N N 25 116.917 116.693 0.224 1 1 217 . 17 1 1 A 25 25 GLN H H 25 9.292 8.079 1.213 1 1 218 . 17 1 1 A 25 25 GLN CA C 25 59.059 58.125 0.934 1 1 219 . 17 1 1 A 25 25 GLN HA H 25 3.908 4.063 -0.155 1 1 220 . 17 1 1 A 25 25 GLN CB C 25 27.816 28.211 -0.395 1 1 227 . 17 1 1 A 25 25 GLN C C 25 177.986 177.541 0.445 1 1 230 . 17 1 1 A 26 26 THR N N 26 114.926 117.156 -2.230 1 1 231 . 17 1 1 A 26 26 THR H H 26 7.057 7.643 -0.586 1 1 232 . 17 1 1 A 26 26 THR CA C 26 64.923 67.060 -2.137 1 1 233 . 17 1 1 A 26 26 THR HA H 26 3.955 3.944 0.011 1 1 234 . 17 1 1 A 26 26 THR CB C 26 67.976 68.657 -0.681 1 1 240 . 17 1 1 A 26 26 THR C C 26 176.674 175.905 0.769 1 1 241 . 17 1 1 A 27 27 LEU N N 27 123.660 120.765 2.895 1 1 242 . 17 1 1 A 27 27 LEU H H 27 7.152 7.905 -0.753 1 1 243 . 17 1 1 A 27 27 LEU CA C 27 58.092 57.916 0.176 1 1 244 . 17 1 1 A 27 27 LEU HA H 27 3.244 2.942 0.302 1 1 245 . 17 1 1 A 27 27 LEU CB C 27 39.898 41.462 -1.564 1 1 257 . 17 1 1 A 27 27 LEU C C 27 177.543 178.459 -0.916 1 1 259 . 17 1 1 A 28 28 LYS N N 28 117.443 119.146 -1.703 1 1 260 . 17 1 1 A 28 28 LYS H H 28 8.333 7.881 0.452 1 1 261 . 17 1 1 A 28 28 LYS CA C 28 60.192 58.888 1.304 1 1 262 . 17 1 1 A 28 28 LYS HA H 28 3.846 4.004 -0.158 1 1 263 . 17 1 1 A 28 28 LYS CB C 28 31.791 32.231 -0.440 1 1 271 . 17 1 1 A 28 28 LYS C C 28 179.540 178.050 1.490 1 1 276 . 17 1 1 A 29 29 SER N N 29 113.365 115.444 -2.079 1 1 277 . 17 1 1 A 29 29 SER H H 29 7.689 8.080 -0.391 1 1 278 . 17 1 1 A 29 29 SER CA C 29 61.437 60.465 0.972 1 1 279 . 17 1 1 A 29 29 SER HA H 29 4.180 4.248 -0.068 1 1 280 . 17 1 1 A 29 29 SER CB C 29 62.744 62.966 -0.222 1 1 282 . 17 1 1 A 29 29 SER C C 29 176.740 177.122 -0.382 1 1 284 . 17 1 1 A 30 30 HIS N N 30 123.202 121.407 1.795 1 1 285 . 17 1 1 A 30 30 HIS H H 30 7.860 7.644 0.216 1 1 286 . 17 1 1 A 30 30 HIS CA C 30 59.371 58.172 1.199 1 1 287 . 17 1 1 A 30 30 HIS HA H 30 4.185 4.166 0.019 1 1 288 . 17 1 1 A 30 30 HIS CB C 30 28.178 30.001 -1.823 1 1 294 . 17 1 1 A 30 30 HIS C C 30 176.119 176.863 -0.744 1 1 296 . 17 1 1 A 31 31 LEU N N 31 117.061 119.113 -2.052 1 1 297 . 17 1 1 A 31 31 LEU H H 31 8.307 7.415 0.892 1 1 298 . 17 1 1 A 31 31 LEU CA C 31 58.168 55.999 2.169 1 1 299 . 17 1 1 A 31 31 LEU HA H 31 3.836 3.963 -0.127 1 1 300 . 17 1 1 A 31 31 LEU CB C 31 42.239 41.360 0.879 1 1 312 . 17 1 1 A 31 31 LEU C C 31 178.830 178.221 0.609 1 1 314 . 17 1 1 A 32 32 ARG N N 32 116.244 119.824 -3.580 1 1 315 . 17 1 1 A 32 32 ARG H H 32 7.111 7.785 -0.674 1 1 316 . 17 1 1 A 32 32 ARG CA C 32 58.407 59.138 -0.731 1 1 317 . 17 1 1 A 32 32 ARG HA H 32 4.107 3.970 0.137 1 1 318 . 17 1 1 A 32 32 ARG CB C 32 30.079 29.728 0.351 1 1 324 . 17 1 1 A 32 32 ARG C C 32 178.721 178.855 -0.134 1 1 328 . 17 1 1 A 33 33 ILE N N 33 116.545 116.100 0.445 1 1 329 . 17 1 1 A 33 33 ILE H H 33 7.956 6.995 0.961 1 1 330 . 17 1 1 A 33 33 ILE CA C 33 63.045 63.328 -0.283 1 1 331 . 17 1 1 A 33 33 ILE HA H 33 4.000 3.951 0.049 1 1 332 . 17 1 1 A 33 33 ILE CB C 33 37.627 37.217 0.410 1 1 344 . 17 1 1 A 33 33 ILE C C 33 177.439 177.438 0.001 1 1 346 . 17 1 1 A 34 34 HIS N N 34 117.690 119.557 -1.867 1 1 347 . 17 1 1 A 34 34 HIS H H 34 7.296 7.759 -0.463 1 1 348 . 17 1 1 A 34 34 HIS CA C 34 55.177 58.645 -3.468 1 1 349 . 17 1 1 A 34 34 HIS HA H 34 4.881 4.433 0.448 1 1 350 . 17 1 1 A 34 34 HIS CB C 34 28.970 31.156 -2.186 1 1 356 . 17 1 1 A 34 34 HIS C C 34 175.551 176.188 -0.637 1 1 358 . 17 1 1 A 35 35 THR N N 35 112.173 113.337 -1.164 1 1 359 . 17 1 1 A 35 35 THR H H 35 7.832 7.491 0.341 1 1 360 . 17 1 1 A 35 35 THR CA C 35 62.557 60.851 1.706 1 1 361 . 17 1 1 A 35 35 THR HA H 35 4.368 4.464 -0.096 1 1 362 . 17 1 1 A 35 35 THR CB C 35 69.896 68.638 1.258 1 1 368 . 17 1 1 A 35 35 THR C C 35 175.372 172.858 2.514 1 1 369 . 17 1 1 A 36 36 GLY N N 36 111.215 115.179 -3.964 1 1 370 . 17 1 1 A 36 36 GLY H H 36 8.360 8.456 -0.096 1 1 371 . 17 1 1 A 36 36 GLY CA C 36 45.502 45.151 0.351 1 1 372 . 17 1 1 A 36 36 GLY HA3 H 36 3.915 4.196 -0.281 1 1 373 . 17 1 1 A 36 36 GLY C C 36 174.238 171.629 2.609 1 1 374 . 17 1 1 A 36 36 GLY HA2 H 36 4.055 4.193 -0.138 1 1 375 . 17 1 1 A 37 37 SER N N 37 115.499 117.590 -2.091 1 1 376 . 17 1 1 A 37 37 SER H H 37 8.243 8.402 -0.159 1 1 377 . 17 1 1 A 37 37 SER CA C 37 58.511 57.765 0.746 1 1 378 . 17 1 1 A 37 37 SER HA H 37 4.504 4.977 -0.473 1 1 379 . 17 1 1 A 37 37 SER CB C 37 63.971 63.134 0.837 1 1 381 . 17 1 1 A 37 37 SER C C 37 174.565 174.251 0.314 1 1 383 . 17 1 1 A 38 38 GLY N N 38 110.692 111.419 -0.727 1 1 384 . 17 1 1 A 38 38 GLY H H 38 8.325 8.296 0.029 1 1 385 . 17 1 1 A 38 38 GLY CA C 38 44.654 45.429 -0.775 1 1 386 . 17 1 1 A 38 38 GLY HA3 H 38 4.157 4.146 0.011 1 1 387 . 17 1 1 A 38 38 GLY C C 38 171.814 174.230 -2.416 1 1 388 . 17 1 1 A 38 38 GLY HA2 H 38 4.109 4.146 -0.037 1 1 389 . 17 1 1 A 39 39 PRO CA C 39 63.274 63.456 -0.182 1 1 390 . 17 1 1 A 39 39 PRO HA H 39 4.483 4.574 -0.091 1 1 391 . 17 1 1 A 39 39 PRO CB C 39 32.251 32.019 0.232 1 1 397 . 17 1 1 A 39 39 PRO C C 39 177.359 176.390 0.969 1 1 401 . 17 1 1 A 40 40 SER N N 40 116.333 116.495 -0.162 1 1 402 . 17 1 1 A 40 40 SER H H 40 8.515 7.697 0.818 1 1 1 . 18 1 1 A 7 7 GLY CA C 7 45.530 45.242 0.288 1 1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.930 4.141 -0.211 1 1 3 . 18 1 1 A 7 7 GLY C C 7 174.617 174.039 0.578 1 1 4 . 18 1 1 A 7 7 GLY HA2 H 7 3.930 4.136 -0.206 1 1 5 . 18 1 1 A 8 8 GLY N N 8 108.339 113.208 -4.869 1 1 6 . 18 1 1 A 8 8 GLY H H 8 8.199 8.406 -0.207 1 1 7 . 18 1 1 A 8 8 GLY CA C 8 45.038 46.404 -1.366 1 1 8 . 18 1 1 A 8 8 GLY HA3 H 8 3.917 4.051 -0.134 1 1 9 . 18 1 1 A 8 8 GLY C C 8 174.079 173.712 0.367 1 1 10 . 18 1 1 A 8 8 GLY HA2 H 8 3.917 4.034 -0.117 1 1 11 . 18 1 1 A 9 9 GLU N N 9 120.351 120.678 -0.327 1 1 12 . 18 1 1 A 9 9 GLU H H 9 8.357 7.940 0.417 1 1 13 . 18 1 1 A 9 9 GLU CA C 9 57.060 54.672 2.388 1 1 14 . 18 1 1 A 9 9 GLU HA H 9 4.129 4.926 -0.797 1 1 15 . 18 1 1 A 9 9 GLU CB C 9 30.173 32.958 -2.785 1 1 18 . 18 1 1 A 9 9 GLU C C 9 176.341 175.022 1.319 1 1 21 . 18 1 1 A 10 10 LYS N N 10 121.224 123.726 -2.502 1 1 22 . 18 1 1 A 10 10 LYS H H 10 8.294 8.589 -0.295 1 1 23 . 18 1 1 A 10 10 LYS CA C 10 53.746 53.881 -0.135 1 1 24 . 18 1 1 A 10 10 LYS HA H 10 4.434 5.550 -1.116 1 1 25 . 18 1 1 A 10 10 LYS CB C 10 33.720 33.132 0.588 1 1 33 . 18 1 1 A 10 10 LYS C C 10 174.180 175.306 -1.126 1 1 38 . 18 1 1 A 11 11 PRO CA C 11 63.617 64.025 -0.408 1 1 39 . 18 1 1 A 11 11 PRO HA H 11 4.269 4.443 -0.174 1 1 40 . 18 1 1 A 11 11 PRO CB C 11 32.493 31.353 1.140 1 1 46 . 18 1 1 A 11 11 PRO C C 11 176.062 175.698 0.364 1 1 50 . 18 1 1 A 12 12 TYR N N 12 116.760 118.584 -1.824 1 1 51 . 18 1 1 A 12 12 TYR H H 12 7.803 7.504 0.299 1 1 52 . 18 1 1 A 12 12 TYR CA C 12 55.382 55.230 0.152 1 1 53 . 18 1 1 A 12 12 TYR HA H 12 5.090 5.055 0.035 1 1 54 . 18 1 1 A 12 12 TYR CB C 12 39.070 38.829 0.241 1 1 64 . 18 1 1 A 12 12 TYR C C 12 173.946 173.314 0.632 1 1 66 . 18 1 1 A 13 13 PRO CA C 13 61.323 63.114 -1.791 1 1 67 . 18 1 1 A 13 13 PRO HA H 13 4.946 4.656 0.290 1 1 68 . 18 1 1 A 13 13 PRO CB C 13 32.343 32.240 0.103 1 1 74 . 18 1 1 A 13 13 PRO C C 13 175.848 176.403 -0.555 1 1 78 . 18 1 1 A 14 14 CYS N N 14 122.803 121.637 1.166 1 1 79 . 18 1 1 A 14 14 CYS H H 14 8.973 8.660 0.313 1 1 80 . 18 1 1 A 14 14 CYS CA C 14 59.241 58.379 0.862 1 1 81 . 18 1 1 A 14 14 CYS HA H 14 4.702 4.839 -0.137 1 1 82 . 18 1 1 A 14 14 CYS CB C 14 29.646 29.272 0.374 1 1 84 . 18 1 1 A 14 14 CYS C C 14 178.137 174.635 3.502 1 1 86 . 18 1 1 A 15 15 GLU N N 15 132.218 124.592 7.626 1 1 87 . 18 1 1 A 15 15 GLU H H 15 9.723 8.921 0.802 1 1 88 . 18 1 1 A 15 15 GLU CA C 15 58.506 57.959 0.547 1 1 89 . 18 1 1 A 15 15 GLU HA H 15 4.186 4.329 -0.143 1 1 90 . 18 1 1 A 15 15 GLU CB C 15 29.648 30.084 -0.436 1 1 94 . 18 1 1 A 15 15 GLU C C 15 176.120 178.935 -2.815 1 1 97 . 18 1 1 A 16 16 ILE N N 16 121.803 120.383 1.420 1 1 98 . 18 1 1 A 16 16 ILE H H 16 8.900 7.604 1.296 1 1 99 . 18 1 1 A 16 16 ILE CA C 16 63.455 65.186 -1.731 1 1 100 . 18 1 1 A 16 16 ILE HA H 16 3.890 3.437 0.453 1 1 101 . 18 1 1 A 16 16 ILE CB C 16 38.217 37.073 1.144 1 1 113 . 18 1 1 A 16 16 ILE C C 16 177.134 177.831 -0.697 1 1 115 . 18 1 1 A 17 17 CYS N N 17 117.174 116.491 0.683 1 1 116 . 18 1 1 A 17 17 CYS H H 17 8.560 7.688 0.872 1 1 117 . 18 1 1 A 17 17 CYS CA C 17 58.390 59.761 -1.371 1 1 118 . 18 1 1 A 17 17 CYS HA H 17 5.177 4.500 0.677 1 1 119 . 18 1 1 A 17 17 CYS CB C 17 32.618 29.119 3.499 1 1 121 . 18 1 1 A 17 17 CYS C C 17 176.615 175.278 1.337 1 1 123 . 18 1 1 A 18 18 GLY N N 18 113.492 109.586 3.906 1 1 124 . 18 1 1 A 18 18 GLY H H 18 8.159 8.031 0.128 1 1 125 . 18 1 1 A 18 18 GLY CA C 18 46.223 45.372 0.851 1 1 126 . 18 1 1 A 18 18 GLY HA3 H 18 4.282 4.087 0.195 1 1 127 . 18 1 1 A 18 18 GLY C C 18 174.098 174.836 -0.738 1 1 128 . 18 1 1 A 18 18 GLY HA2 H 18 3.827 4.066 -0.239 1 1 129 . 18 1 1 A 19 19 THR N N 19 120.008 116.198 3.810 1 1 130 . 18 1 1 A 19 19 THR H H 19 7.989 7.508 0.481 1 1 131 . 18 1 1 A 19 19 THR CA C 19 64.755 64.188 0.567 1 1 132 . 18 1 1 A 19 19 THR HA H 19 3.921 4.157 -0.236 1 1 133 . 18 1 1 A 19 19 THR CB C 19 68.607 69.221 -0.614 1 1 139 . 18 1 1 A 19 19 THR C C 19 171.898 174.035 -2.137 1 1 140 . 18 1 1 A 20 20 ARG N N 20 123.158 126.937 -3.779 1 1 141 . 18 1 1 A 20 20 ARG H H 20 8.057 8.456 -0.399 1 1 142 . 18 1 1 A 20 20 ARG CA C 20 55.128 56.337 -1.209 1 1 143 . 18 1 1 A 20 20 ARG HA H 20 4.787 4.964 -0.177 1 1 144 . 18 1 1 A 20 20 ARG CB C 20 33.459 31.883 1.576 1 1 150 . 18 1 1 A 20 20 ARG C C 20 174.806 175.686 -0.880 1 1 154 . 18 1 1 A 21 21 PHE N N 21 117.358 119.966 -2.608 1 1 155 . 18 1 1 A 21 21 PHE H H 21 8.245 8.869 -0.624 1 1 156 . 18 1 1 A 21 21 PHE CA C 21 57.360 56.788 0.572 1 1 157 . 18 1 1 A 21 21 PHE HA H 21 4.729 4.953 -0.224 1 1 158 . 18 1 1 A 21 21 PHE CB C 21 42.955 43.784 -0.829 1 1 170 . 18 1 1 A 21 21 PHE C C 21 175.256 176.244 -0.988 1 1 172 . 18 1 1 A 22 22 ARG N N 22 120.836 120.058 0.778 1 1 173 . 18 1 1 A 22 22 ARG H H 22 9.201 8.936 0.265 1 1 174 . 18 1 1 A 22 22 ARG CA C 22 58.190 58.816 -0.626 1 1 175 . 18 1 1 A 22 22 ARG HA H 22 4.325 4.372 -0.047 1 1 176 . 18 1 1 A 22 22 ARG CB C 22 31.236 30.541 0.695 1 1 182 . 18 1 1 A 22 22 ARG C C 22 174.935 175.993 -1.058 1 1 186 . 18 1 1 A 23 23 HIS N N 23 113.110 117.662 -4.552 1 1 187 . 18 1 1 A 23 23 HIS H H 23 7.454 8.190 -0.736 1 1 188 . 18 1 1 A 23 23 HIS CA C 23 54.696 54.479 0.217 1 1 189 . 18 1 1 A 23 23 HIS HA H 23 5.127 4.643 0.484 1 1 190 . 18 1 1 A 23 23 HIS CB C 23 33.623 33.030 0.593 1 1 196 . 18 1 1 A 23 23 HIS C C 23 175.530 175.143 0.387 1 1 198 . 18 1 1 A 24 24 LEU N N 24 127.638 124.841 2.797 1 1 199 . 18 1 1 A 24 24 LEU H H 24 8.521 8.338 0.183 1 1 200 . 18 1 1 A 24 24 LEU CA C 24 57.706 57.931 -0.225 1 1 201 . 18 1 1 A 24 24 LEU HA H 24 3.365 3.705 -0.340 1 1 202 . 18 1 1 A 24 24 LEU CB C 24 41.255 41.692 -0.437 1 1 214 . 18 1 1 A 24 24 LEU C C 24 178.985 178.245 0.740 1 1 216 . 18 1 1 A 25 25 GLN N N 25 116.917 116.929 -0.012 1 1 217 . 18 1 1 A 25 25 GLN H H 25 9.292 8.068 1.224 1 1 218 . 18 1 1 A 25 25 GLN CA C 25 59.059 58.108 0.951 1 1 219 . 18 1 1 A 25 25 GLN HA H 25 3.908 4.062 -0.154 1 1 220 . 18 1 1 A 25 25 GLN CB C 25 27.816 28.209 -0.393 1 1 227 . 18 1 1 A 25 25 GLN C C 25 177.986 177.673 0.313 1 1 230 . 18 1 1 A 26 26 THR N N 26 114.926 117.167 -2.241 1 1 231 . 18 1 1 A 26 26 THR H H 26 7.057 7.664 -0.607 1 1 232 . 18 1 1 A 26 26 THR CA C 26 64.923 66.994 -2.071 1 1 233 . 18 1 1 A 26 26 THR HA H 26 3.955 3.897 0.058 1 1 234 . 18 1 1 A 26 26 THR CB C 26 67.976 68.698 -0.722 1 1 240 . 18 1 1 A 26 26 THR C C 26 176.674 175.726 0.948 1 1 241 . 18 1 1 A 27 27 LEU N N 27 123.660 120.779 2.881 1 1 242 . 18 1 1 A 27 27 LEU H H 27 7.152 7.762 -0.610 1 1 243 . 18 1 1 A 27 27 LEU CA C 27 58.092 57.878 0.214 1 1 244 . 18 1 1 A 27 27 LEU HA H 27 3.244 2.806 0.438 1 1 245 . 18 1 1 A 27 27 LEU CB C 27 39.898 41.229 -1.331 1 1 257 . 18 1 1 A 27 27 LEU C C 27 177.543 178.488 -0.945 1 1 259 . 18 1 1 A 28 28 LYS N N 28 117.443 119.276 -1.833 1 1 260 . 18 1 1 A 28 28 LYS H H 28 8.333 8.093 0.240 1 1 261 . 18 1 1 A 28 28 LYS CA C 28 60.192 59.158 1.034 1 1 262 . 18 1 1 A 28 28 LYS HA H 28 3.846 3.888 -0.042 1 1 263 . 18 1 1 A 28 28 LYS CB C 28 31.791 32.236 -0.445 1 1 271 . 18 1 1 A 28 28 LYS C C 28 179.540 179.099 0.441 1 1 276 . 18 1 1 A 29 29 SER N N 29 113.365 116.838 -3.473 1 1 277 . 18 1 1 A 29 29 SER H H 29 7.689 7.906 -0.217 1 1 278 . 18 1 1 A 29 29 SER CA C 29 61.437 61.273 0.164 1 1 279 . 18 1 1 A 29 29 SER HA H 29 4.180 4.269 -0.089 1 1 280 . 18 1 1 A 29 29 SER CB C 29 62.744 63.358 -0.614 1 1 282 . 18 1 1 A 29 29 SER C C 29 176.740 176.207 0.533 1 1 284 . 18 1 1 A 30 30 HIS N N 30 123.202 122.326 0.876 1 1 285 . 18 1 1 A 30 30 HIS H H 30 7.860 7.771 0.089 1 1 286 . 18 1 1 A 30 30 HIS CA C 30 59.371 58.445 0.926 1 1 287 . 18 1 1 A 30 30 HIS HA H 30 4.185 4.174 0.011 1 1 288 . 18 1 1 A 30 30 HIS CB C 30 28.178 29.785 -1.607 1 1 294 . 18 1 1 A 30 30 HIS C C 30 176.119 176.833 -0.714 1 1 296 . 18 1 1 A 31 31 LEU N N 31 117.061 119.210 -2.149 1 1 297 . 18 1 1 A 31 31 LEU H H 31 8.307 7.486 0.821 1 1 298 . 18 1 1 A 31 31 LEU CA C 31 58.168 56.179 1.989 1 1 299 . 18 1 1 A 31 31 LEU HA H 31 3.836 3.908 -0.072 1 1 300 . 18 1 1 A 31 31 LEU CB C 31 42.239 41.503 0.736 1 1 312 . 18 1 1 A 31 31 LEU C C 31 178.830 177.977 0.853 1 1 314 . 18 1 1 A 32 32 ARG N N 32 116.244 119.385 -3.141 1 1 315 . 18 1 1 A 32 32 ARG H H 32 7.111 7.884 -0.773 1 1 316 . 18 1 1 A 32 32 ARG CA C 32 58.407 59.513 -1.106 1 1 317 . 18 1 1 A 32 32 ARG HA H 32 4.107 4.019 0.088 1 1 318 . 18 1 1 A 32 32 ARG CB C 32 30.079 29.951 0.128 1 1 324 . 18 1 1 A 32 32 ARG C C 32 178.721 179.216 -0.495 1 1 328 . 18 1 1 A 33 33 ILE N N 33 116.545 117.490 -0.945 1 1 329 . 18 1 1 A 33 33 ILE H H 33 7.956 7.601 0.355 1 1 330 . 18 1 1 A 33 33 ILE CA C 33 63.045 63.374 -0.329 1 1 331 . 18 1 1 A 33 33 ILE HA H 33 4.000 3.877 0.123 1 1 332 . 18 1 1 A 33 33 ILE CB C 33 37.627 37.340 0.287 1 1 344 . 18 1 1 A 33 33 ILE C C 33 177.439 177.936 -0.497 1 1 346 . 18 1 1 A 34 34 HIS N N 34 117.690 119.397 -1.707 1 1 347 . 18 1 1 A 34 34 HIS H H 34 7.296 7.338 -0.042 1 1 348 . 18 1 1 A 34 34 HIS CA C 34 55.177 58.987 -3.810 1 1 349 . 18 1 1 A 34 34 HIS HA H 34 4.881 4.385 0.496 1 1 350 . 18 1 1 A 34 34 HIS CB C 34 28.970 30.585 -1.615 1 1 356 . 18 1 1 A 34 34 HIS C C 34 175.551 176.027 -0.476 1 1 358 . 18 1 1 A 35 35 THR N N 35 112.173 111.890 0.283 1 1 359 . 18 1 1 A 35 35 THR H H 35 7.832 7.827 0.005 1 1 360 . 18 1 1 A 35 35 THR CA C 35 62.557 62.037 0.520 1 1 361 . 18 1 1 A 35 35 THR HA H 35 4.368 4.494 -0.126 1 1 362 . 18 1 1 A 35 35 THR CB C 35 69.896 69.584 0.312 1 1 368 . 18 1 1 A 35 35 THR C C 35 175.372 173.990 1.382 1 1 369 . 18 1 1 A 36 36 GLY N N 36 111.215 114.443 -3.228 1 1 370 . 18 1 1 A 36 36 GLY H H 36 8.360 8.333 0.027 1 1 371 . 18 1 1 A 36 36 GLY CA C 36 45.502 46.115 -0.613 1 1 372 . 18 1 1 A 36 36 GLY HA3 H 36 3.915 4.212 -0.297 1 1 373 . 18 1 1 A 36 36 GLY C C 36 174.238 172.066 2.172 1 1 374 . 18 1 1 A 36 36 GLY HA2 H 36 4.055 4.212 -0.157 1 1 375 . 18 1 1 A 37 37 SER N N 37 115.499 113.082 2.417 1 1 376 . 18 1 1 A 37 37 SER H H 37 8.243 7.771 0.472 1 1 377 . 18 1 1 A 37 37 SER CA C 37 58.511 57.310 1.201 1 1 378 . 18 1 1 A 37 37 SER HA H 37 4.504 4.697 -0.193 1 1 379 . 18 1 1 A 37 37 SER CB C 37 63.971 65.333 -1.362 1 1 381 . 18 1 1 A 37 37 SER C C 37 174.565 173.065 1.500 1 1 383 . 18 1 1 A 38 38 GLY N N 38 110.692 113.416 -2.724 1 1 384 . 18 1 1 A 38 38 GLY H H 38 8.325 8.613 -0.288 1 1 385 . 18 1 1 A 38 38 GLY CA C 38 44.654 45.305 -0.651 1 1 386 . 18 1 1 A 38 38 GLY HA3 H 38 4.157 4.003 0.154 1 1 387 . 18 1 1 A 38 38 GLY C C 38 171.814 173.071 -1.257 1 1 388 . 18 1 1 A 38 38 GLY HA2 H 38 4.109 4.000 0.109 1 1 389 . 18 1 1 A 39 39 PRO CA C 39 63.274 62.725 0.549 1 1 390 . 18 1 1 A 39 39 PRO HA H 39 4.483 4.572 -0.089 1 1 391 . 18 1 1 A 39 39 PRO CB C 39 32.251 32.414 -0.163 1 1 397 . 18 1 1 A 39 39 PRO C C 39 177.359 176.845 0.514 1 1 401 . 18 1 1 A 40 40 SER N N 40 116.333 116.554 -0.221 1 1 402 . 18 1 1 A 40 40 SER H H 40 8.515 8.721 -0.206 1 1 1 . 19 1 1 A 7 7 GLY CA C 7 45.530 46.644 -1.114 1 1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.930 4.108 -0.178 1 1 3 . 19 1 1 A 7 7 GLY C C 7 174.617 173.365 1.252 1 1 4 . 19 1 1 A 7 7 GLY HA2 H 7 3.930 4.099 -0.169 1 1 5 . 19 1 1 A 8 8 GLY N N 8 108.339 111.626 -3.287 1 1 6 . 19 1 1 A 8 8 GLY H H 8 8.199 8.984 -0.785 1 1 7 . 19 1 1 A 8 8 GLY CA C 8 45.038 46.758 -1.720 1 1 8 . 19 1 1 A 8 8 GLY HA3 H 8 3.917 4.103 -0.186 1 1 9 . 19 1 1 A 8 8 GLY C C 8 174.079 172.943 1.136 1 1 10 . 19 1 1 A 8 8 GLY HA2 H 8 3.917 4.081 -0.164 1 1 11 . 19 1 1 A 9 9 GLU N N 9 120.351 122.409 -2.058 1 1 12 . 19 1 1 A 9 9 GLU H H 9 8.357 8.631 -0.274 1 1 13 . 19 1 1 A 9 9 GLU CA C 9 57.060 54.695 2.365 1 1 14 . 19 1 1 A 9 9 GLU HA H 9 4.129 5.018 -0.889 1 1 15 . 19 1 1 A 9 9 GLU CB C 9 30.173 33.368 -3.195 1 1 18 . 19 1 1 A 9 9 GLU C C 9 176.341 175.810 0.531 1 1 21 . 19 1 1 A 10 10 LYS N N 10 121.224 122.027 -0.803 1 1 22 . 19 1 1 A 10 10 LYS H H 10 8.294 8.603 -0.309 1 1 23 . 19 1 1 A 10 10 LYS CA C 10 53.746 53.901 -0.155 1 1 24 . 19 1 1 A 10 10 LYS HA H 10 4.434 5.147 -0.713 1 1 25 . 19 1 1 A 10 10 LYS CB C 10 33.720 33.041 0.679 1 1 33 . 19 1 1 A 10 10 LYS C C 10 174.180 175.285 -1.105 1 1 38 . 19 1 1 A 11 11 PRO CA C 11 63.617 64.063 -0.446 1 1 39 . 19 1 1 A 11 11 PRO HA H 11 4.269 4.447 -0.178 1 1 40 . 19 1 1 A 11 11 PRO CB C 11 32.493 31.250 1.243 1 1 46 . 19 1 1 A 11 11 PRO C C 11 176.062 175.708 0.354 1 1 50 . 19 1 1 A 12 12 TYR N N 12 116.760 118.563 -1.803 1 1 51 . 19 1 1 A 12 12 TYR H H 12 7.803 7.905 -0.102 1 1 52 . 19 1 1 A 12 12 TYR CA C 12 55.382 55.213 0.169 1 1 53 . 19 1 1 A 12 12 TYR HA H 12 5.090 5.049 0.041 1 1 54 . 19 1 1 A 12 12 TYR CB C 12 39.070 38.803 0.267 1 1 64 . 19 1 1 A 12 12 TYR C C 12 173.946 173.462 0.484 1 1 66 . 19 1 1 A 13 13 PRO CA C 13 61.323 63.169 -1.846 1 1 67 . 19 1 1 A 13 13 PRO HA H 13 4.946 4.635 0.311 1 1 68 . 19 1 1 A 13 13 PRO CB C 13 32.343 32.042 0.301 1 1 74 . 19 1 1 A 13 13 PRO C C 13 175.848 176.619 -0.771 1 1 78 . 19 1 1 A 14 14 CYS N N 14 122.803 121.798 1.005 1 1 79 . 19 1 1 A 14 14 CYS H H 14 8.973 8.486 0.487 1 1 80 . 19 1 1 A 14 14 CYS CA C 14 59.241 58.799 0.442 1 1 81 . 19 1 1 A 14 14 CYS HA H 14 4.702 4.779 -0.077 1 1 82 . 19 1 1 A 14 14 CYS CB C 14 29.646 28.914 0.732 1 1 84 . 19 1 1 A 14 14 CYS C C 14 178.137 174.913 3.224 1 1 86 . 19 1 1 A 15 15 GLU N N 15 132.218 123.721 8.497 1 1 87 . 19 1 1 A 15 15 GLU H H 15 9.723 9.015 0.708 1 1 88 . 19 1 1 A 15 15 GLU CA C 15 58.506 57.516 0.990 1 1 89 . 19 1 1 A 15 15 GLU HA H 15 4.186 4.526 -0.340 1 1 90 . 19 1 1 A 15 15 GLU CB C 15 29.648 30.339 -0.691 1 1 94 . 19 1 1 A 15 15 GLU C C 15 176.120 178.737 -2.617 1 1 97 . 19 1 1 A 16 16 ILE N N 16 121.803 120.849 0.954 1 1 98 . 19 1 1 A 16 16 ILE H H 16 8.900 7.591 1.309 1 1 99 . 19 1 1 A 16 16 ILE CA C 16 63.455 65.198 -1.743 1 1 100 . 19 1 1 A 16 16 ILE HA H 16 3.890 3.414 0.476 1 1 101 . 19 1 1 A 16 16 ILE CB C 16 38.217 36.939 1.278 1 1 113 . 19 1 1 A 16 16 ILE C C 16 177.134 177.807 -0.673 1 1 115 . 19 1 1 A 17 17 CYS N N 17 117.174 115.910 1.264 1 1 116 . 19 1 1 A 17 17 CYS H H 17 8.560 7.264 1.296 1 1 117 . 19 1 1 A 17 17 CYS CA C 17 58.390 59.785 -1.395 1 1 118 . 19 1 1 A 17 17 CYS HA H 17 5.177 4.478 0.699 1 1 119 . 19 1 1 A 17 17 CYS CB C 17 32.618 29.156 3.462 1 1 121 . 19 1 1 A 17 17 CYS C C 17 176.615 175.248 1.367 1 1 123 . 19 1 1 A 18 18 GLY N N 18 113.492 109.902 3.590 1 1 124 . 19 1 1 A 18 18 GLY H H 18 8.159 8.010 0.149 1 1 125 . 19 1 1 A 18 18 GLY CA C 18 46.223 45.278 0.945 1 1 126 . 19 1 1 A 18 18 GLY HA3 H 18 4.282 4.080 0.202 1 1 127 . 19 1 1 A 18 18 GLY C C 18 174.098 174.709 -0.611 1 1 128 . 19 1 1 A 18 18 GLY HA2 H 18 3.827 4.067 -0.240 1 1 129 . 19 1 1 A 19 19 THR N N 19 120.008 116.155 3.853 1 1 130 . 19 1 1 A 19 19 THR H H 19 7.989 7.457 0.532 1 1 131 . 19 1 1 A 19 19 THR CA C 19 64.755 63.400 1.355 1 1 132 . 19 1 1 A 19 19 THR HA H 19 3.921 4.191 -0.270 1 1 133 . 19 1 1 A 19 19 THR CB C 19 68.607 69.184 -0.577 1 1 139 . 19 1 1 A 19 19 THR C C 19 171.898 173.898 -2.000 1 1 140 . 19 1 1 A 20 20 ARG N N 20 123.158 127.571 -4.413 1 1 141 . 19 1 1 A 20 20 ARG H H 20 8.057 8.440 -0.383 1 1 142 . 19 1 1 A 20 20 ARG CA C 20 55.128 55.561 -0.433 1 1 143 . 19 1 1 A 20 20 ARG HA H 20 4.787 5.039 -0.252 1 1 144 . 19 1 1 A 20 20 ARG CB C 20 33.459 32.211 1.248 1 1 150 . 19 1 1 A 20 20 ARG C C 20 174.806 175.642 -0.836 1 1 154 . 19 1 1 A 21 21 PHE N N 21 117.358 119.975 -2.617 1 1 155 . 19 1 1 A 21 21 PHE H H 21 8.245 8.864 -0.619 1 1 156 . 19 1 1 A 21 21 PHE CA C 21 57.360 56.269 1.091 1 1 157 . 19 1 1 A 21 21 PHE HA H 21 4.729 4.826 -0.097 1 1 158 . 19 1 1 A 21 21 PHE CB C 21 42.955 41.892 1.063 1 1 170 . 19 1 1 A 21 21 PHE C C 21 175.256 175.973 -0.717 1 1 172 . 19 1 1 A 22 22 ARG N N 22 120.836 125.626 -4.790 1 1 173 . 19 1 1 A 22 22 ARG H H 22 9.201 8.990 0.211 1 1 174 . 19 1 1 A 22 22 ARG CA C 22 58.190 59.838 -1.648 1 1 175 . 19 1 1 A 22 22 ARG HA H 22 4.325 4.475 -0.150 1 1 176 . 19 1 1 A 22 22 ARG CB C 22 31.236 30.166 1.070 1 1 182 . 19 1 1 A 22 22 ARG C C 22 174.935 175.728 -0.793 1 1 186 . 19 1 1 A 23 23 HIS N N 23 113.110 114.749 -1.639 1 1 187 . 19 1 1 A 23 23 HIS H H 23 7.454 8.150 -0.696 1 1 188 . 19 1 1 A 23 23 HIS CA C 23 54.696 54.696 0.000 1 1 189 . 19 1 1 A 23 23 HIS HA H 23 5.127 4.898 0.229 1 1 190 . 19 1 1 A 23 23 HIS CB C 23 33.623 32.576 1.047 1 1 196 . 19 1 1 A 23 23 HIS C C 23 175.530 175.243 0.287 1 1 198 . 19 1 1 A 24 24 LEU N N 24 127.638 125.203 2.435 1 1 199 . 19 1 1 A 24 24 LEU H H 24 8.521 8.175 0.346 1 1 200 . 19 1 1 A 24 24 LEU CA C 24 57.706 58.014 -0.308 1 1 201 . 19 1 1 A 24 24 LEU HA H 24 3.365 3.675 -0.310 1 1 202 . 19 1 1 A 24 24 LEU CB C 24 41.255 41.053 0.202 1 1 214 . 19 1 1 A 24 24 LEU C C 24 178.985 178.172 0.813 1 1 216 . 19 1 1 A 25 25 GLN N N 25 116.917 116.611 0.306 1 1 217 . 19 1 1 A 25 25 GLN H H 25 9.292 8.017 1.275 1 1 218 . 19 1 1 A 25 25 GLN CA C 25 59.059 58.118 0.941 1 1 219 . 19 1 1 A 25 25 GLN HA H 25 3.908 4.074 -0.166 1 1 220 . 19 1 1 A 25 25 GLN CB C 25 27.816 28.224 -0.408 1 1 227 . 19 1 1 A 25 25 GLN C C 25 177.986 177.683 0.303 1 1 230 . 19 1 1 A 26 26 THR N N 26 114.926 116.764 -1.838 1 1 231 . 19 1 1 A 26 26 THR H H 26 7.057 7.635 -0.578 1 1 232 . 19 1 1 A 26 26 THR CA C 26 64.923 66.949 -2.026 1 1 233 . 19 1 1 A 26 26 THR HA H 26 3.955 3.987 -0.032 1 1 234 . 19 1 1 A 26 26 THR CB C 26 67.976 68.781 -0.805 1 1 240 . 19 1 1 A 26 26 THR C C 26 176.674 176.294 0.380 1 1 241 . 19 1 1 A 27 27 LEU N N 27 123.660 121.100 2.560 1 1 242 . 19 1 1 A 27 27 LEU H H 27 7.152 8.170 -1.018 1 1 243 . 19 1 1 A 27 27 LEU CA C 27 58.092 58.073 0.019 1 1 244 . 19 1 1 A 27 27 LEU HA H 27 3.244 3.015 0.229 1 1 245 . 19 1 1 A 27 27 LEU CB C 27 39.898 41.356 -1.458 1 1 257 . 19 1 1 A 27 27 LEU C C 27 177.543 178.588 -1.045 1 1 259 . 19 1 1 A 28 28 LYS N N 28 117.443 118.938 -1.495 1 1 260 . 19 1 1 A 28 28 LYS H H 28 8.333 7.998 0.335 1 1 261 . 19 1 1 A 28 28 LYS CA C 28 60.192 58.983 1.209 1 1 262 . 19 1 1 A 28 28 LYS HA H 28 3.846 3.884 -0.038 1 1 263 . 19 1 1 A 28 28 LYS CB C 28 31.791 32.188 -0.397 1 1 271 . 19 1 1 A 28 28 LYS C C 28 179.540 178.926 0.614 1 1 276 . 19 1 1 A 29 29 SER N N 29 113.365 116.713 -3.348 1 1 277 . 19 1 1 A 29 29 SER H H 29 7.689 7.821 -0.132 1 1 278 . 19 1 1 A 29 29 SER CA C 29 61.437 60.973 0.464 1 1 279 . 19 1 1 A 29 29 SER HA H 29 4.180 4.296 -0.116 1 1 280 . 19 1 1 A 29 29 SER CB C 29 62.744 63.554 -0.810 1 1 282 . 19 1 1 A 29 29 SER C C 29 176.740 176.246 0.494 1 1 284 . 19 1 1 A 30 30 HIS N N 30 123.202 121.814 1.388 1 1 285 . 19 1 1 A 30 30 HIS H H 30 7.860 7.768 0.092 1 1 286 . 19 1 1 A 30 30 HIS CA C 30 59.371 58.474 0.897 1 1 287 . 19 1 1 A 30 30 HIS HA H 30 4.185 4.215 -0.030 1 1 288 . 19 1 1 A 30 30 HIS CB C 30 28.178 29.639 -1.461 1 1 294 . 19 1 1 A 30 30 HIS C C 30 176.119 176.875 -0.756 1 1 296 . 19 1 1 A 31 31 LEU N N 31 117.061 119.052 -1.991 1 1 297 . 19 1 1 A 31 31 LEU H H 31 8.307 7.619 0.688 1 1 298 . 19 1 1 A 31 31 LEU CA C 31 58.168 56.107 2.061 1 1 299 . 19 1 1 A 31 31 LEU HA H 31 3.836 3.968 -0.132 1 1 300 . 19 1 1 A 31 31 LEU CB C 31 42.239 41.255 0.984 1 1 312 . 19 1 1 A 31 31 LEU C C 31 178.830 178.377 0.453 1 1 314 . 19 1 1 A 32 32 ARG N N 32 116.244 119.620 -3.376 1 1 315 . 19 1 1 A 32 32 ARG H H 32 7.111 7.875 -0.764 1 1 316 . 19 1 1 A 32 32 ARG CA C 32 58.407 59.104 -0.697 1 1 317 . 19 1 1 A 32 32 ARG HA H 32 4.107 3.982 0.125 1 1 318 . 19 1 1 A 32 32 ARG CB C 32 30.079 29.728 0.351 1 1 324 . 19 1 1 A 32 32 ARG C C 32 178.721 178.817 -0.096 1 1 328 . 19 1 1 A 33 33 ILE N N 33 116.545 117.246 -0.701 1 1 329 . 19 1 1 A 33 33 ILE H H 33 7.956 7.135 0.821 1 1 330 . 19 1 1 A 33 33 ILE CA C 33 63.045 64.200 -1.155 1 1 331 . 19 1 1 A 33 33 ILE HA H 33 4.000 3.821 0.179 1 1 332 . 19 1 1 A 33 33 ILE CB C 33 37.627 37.063 0.564 1 1 344 . 19 1 1 A 33 33 ILE C C 33 177.439 177.927 -0.488 1 1 346 . 19 1 1 A 34 34 HIS N N 34 117.690 119.614 -1.924 1 1 347 . 19 1 1 A 34 34 HIS H H 34 7.296 7.638 -0.342 1 1 348 . 19 1 1 A 34 34 HIS CA C 34 55.177 59.048 -3.871 1 1 349 . 19 1 1 A 34 34 HIS HA H 34 4.881 4.361 0.520 1 1 350 . 19 1 1 A 34 34 HIS CB C 34 28.970 29.880 -0.910 1 1 356 . 19 1 1 A 34 34 HIS C C 34 175.551 175.973 -0.422 1 1 358 . 19 1 1 A 35 35 THR N N 35 112.173 111.973 0.200 1 1 359 . 19 1 1 A 35 35 THR H H 35 7.832 7.650 0.182 1 1 360 . 19 1 1 A 35 35 THR CA C 35 62.557 60.551 2.006 1 1 361 . 19 1 1 A 35 35 THR HA H 35 4.368 4.717 -0.349 1 1 362 . 19 1 1 A 35 35 THR CB C 35 69.896 70.538 -0.642 1 1 368 . 19 1 1 A 35 35 THR C C 35 175.372 173.413 1.959 1 1 369 . 19 1 1 A 36 36 GLY N N 36 111.215 115.406 -4.191 1 1 370 . 19 1 1 A 36 36 GLY H H 36 8.360 8.629 -0.269 1 1 371 . 19 1 1 A 36 36 GLY CA C 36 45.502 44.902 0.600 1 1 372 . 19 1 1 A 36 36 GLY HA3 H 36 3.915 4.438 -0.523 1 1 373 . 19 1 1 A 36 36 GLY C C 36 174.238 172.296 1.942 1 1 374 . 19 1 1 A 36 36 GLY HA2 H 36 4.055 4.438 -0.383 1 1 375 . 19 1 1 A 37 37 SER N N 37 115.499 119.561 -4.062 1 1 376 . 19 1 1 A 37 37 SER H H 37 8.243 8.974 -0.731 1 1 377 . 19 1 1 A 37 37 SER CA C 37 58.511 57.344 1.167 1 1 378 . 19 1 1 A 37 37 SER HA H 37 4.504 4.880 -0.376 1 1 379 . 19 1 1 A 37 37 SER CB C 37 63.971 63.732 0.239 1 1 381 . 19 1 1 A 37 37 SER C C 37 174.565 173.367 1.198 1 1 383 . 19 1 1 A 38 38 GLY N N 38 110.692 109.409 1.283 1 1 384 . 19 1 1 A 38 38 GLY H H 38 8.325 8.252 0.073 1 1 385 . 19 1 1 A 38 38 GLY CA C 38 44.654 44.013 0.641 1 1 386 . 19 1 1 A 38 38 GLY HA3 H 38 4.157 4.113 0.044 1 1 387 . 19 1 1 A 38 38 GLY C C 38 171.814 172.731 -0.917 1 1 388 . 19 1 1 A 38 38 GLY HA2 H 38 4.109 4.113 -0.004 1 1 389 . 19 1 1 A 39 39 PRO CA C 39 63.274 62.813 0.461 1 1 390 . 19 1 1 A 39 39 PRO HA H 39 4.483 4.599 -0.116 1 1 391 . 19 1 1 A 39 39 PRO CB C 39 32.251 31.756 0.495 1 1 397 . 19 1 1 A 39 39 PRO C C 39 177.359 177.089 0.270 1 1 401 . 19 1 1 A 40 40 SER N N 40 116.333 115.308 1.025 1 1 402 . 19 1 1 A 40 40 SER H H 40 8.515 8.381 0.134 1 1 1 . 20 1 1 A 7 7 GLY CA C 7 45.530 45.260 0.270 1 1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.930 4.134 -0.204 1 1 3 . 20 1 1 A 7 7 GLY C C 7 174.617 173.236 1.381 1 1 4 . 20 1 1 A 7 7 GLY HA2 H 7 3.930 4.126 -0.196 1 1 5 . 20 1 1 A 8 8 GLY N N 8 108.339 107.897 0.442 1 1 6 . 20 1 1 A 8 8 GLY H H 8 8.199 8.255 -0.056 1 1 7 . 20 1 1 A 8 8 GLY CA C 8 45.038 43.924 1.114 1 1 8 . 20 1 1 A 8 8 GLY HA3 H 8 3.917 4.132 -0.215 1 1 9 . 20 1 1 A 8 8 GLY C C 8 174.079 172.933 1.146 1 1 10 . 20 1 1 A 8 8 GLY HA2 H 8 3.917 4.123 -0.206 1 1 11 . 20 1 1 A 9 9 GLU N N 9 120.351 120.173 0.178 1 1 12 . 20 1 1 A 9 9 GLU H H 9 8.357 8.596 -0.239 1 1 13 . 20 1 1 A 9 9 GLU CA C 9 57.060 55.275 1.785 1 1 14 . 20 1 1 A 9 9 GLU HA H 9 4.129 4.537 -0.408 1 1 15 . 20 1 1 A 9 9 GLU CB C 9 30.173 29.449 0.724 1 1 18 . 20 1 1 A 9 9 GLU C C 9 176.341 176.553 -0.212 1 1 21 . 20 1 1 A 10 10 LYS N N 10 121.224 123.001 -1.777 1 1 22 . 20 1 1 A 10 10 LYS H H 10 8.294 8.880 -0.586 1 1 23 . 20 1 1 A 10 10 LYS CA C 10 53.746 56.801 -3.055 1 1 24 . 20 1 1 A 10 10 LYS HA H 10 4.434 4.031 0.403 1 1 25 . 20 1 1 A 10 10 LYS CB C 10 33.720 30.228 3.492 1 1 33 . 20 1 1 A 10 10 LYS C C 10 174.180 176.759 -2.579 1 1 38 . 20 1 1 A 11 11 PRO CA C 11 63.617 64.416 -0.799 1 1 39 . 20 1 1 A 11 11 PRO HA H 11 4.269 4.445 -0.176 1 1 40 . 20 1 1 A 11 11 PRO CB C 11 32.493 31.570 0.923 1 1 46 . 20 1 1 A 11 11 PRO C C 11 176.062 175.720 0.342 1 1 50 . 20 1 1 A 12 12 TYR N N 12 116.760 118.662 -1.902 1 1 51 . 20 1 1 A 12 12 TYR H H 12 7.803 7.880 -0.077 1 1 52 . 20 1 1 A 12 12 TYR CA C 12 55.382 55.095 0.287 1 1 53 . 20 1 1 A 12 12 TYR HA H 12 5.090 5.050 0.040 1 1 54 . 20 1 1 A 12 12 TYR CB C 12 39.070 38.788 0.282 1 1 64 . 20 1 1 A 12 12 TYR C C 12 173.946 173.369 0.577 1 1 66 . 20 1 1 A 13 13 PRO CA C 13 61.323 63.109 -1.786 1 1 67 . 20 1 1 A 13 13 PRO HA H 13 4.946 4.580 0.366 1 1 68 . 20 1 1 A 13 13 PRO CB C 13 32.343 32.263 0.080 1 1 74 . 20 1 1 A 13 13 PRO C C 13 175.848 176.903 -1.055 1 1 78 . 20 1 1 A 14 14 CYS N N 14 122.803 122.033 0.770 1 1 79 . 20 1 1 A 14 14 CYS H H 14 8.973 8.616 0.357 1 1 80 . 20 1 1 A 14 14 CYS CA C 14 59.241 59.291 -0.050 1 1 81 . 20 1 1 A 14 14 CYS HA H 14 4.702 4.561 0.141 1 1 82 . 20 1 1 A 14 14 CYS CB C 14 29.646 29.048 0.598 1 1 84 . 20 1 1 A 14 14 CYS C C 14 178.137 175.019 3.118 1 1 86 . 20 1 1 A 15 15 GLU N N 15 132.218 124.173 8.045 1 1 87 . 20 1 1 A 15 15 GLU H H 15 9.723 8.947 0.776 1 1 88 . 20 1 1 A 15 15 GLU CA C 15 58.506 57.834 0.672 1 1 89 . 20 1 1 A 15 15 GLU HA H 15 4.186 4.346 -0.160 1 1 90 . 20 1 1 A 15 15 GLU CB C 15 29.648 30.157 -0.509 1 1 94 . 20 1 1 A 15 15 GLU C C 15 176.120 178.979 -2.859 1 1 97 . 20 1 1 A 16 16 ILE N N 16 121.803 120.237 1.566 1 1 98 . 20 1 1 A 16 16 ILE H H 16 8.900 7.622 1.278 1 1 99 . 20 1 1 A 16 16 ILE CA C 16 63.455 65.222 -1.767 1 1 100 . 20 1 1 A 16 16 ILE HA H 16 3.890 3.445 0.445 1 1 101 . 20 1 1 A 16 16 ILE CB C 16 38.217 37.137 1.080 1 1 113 . 20 1 1 A 16 16 ILE C C 16 177.134 177.816 -0.682 1 1 115 . 20 1 1 A 17 17 CYS N N 17 117.174 116.488 0.686 1 1 116 . 20 1 1 A 17 17 CYS H H 17 8.560 7.135 1.425 1 1 117 . 20 1 1 A 17 17 CYS CA C 17 58.390 59.759 -1.369 1 1 118 . 20 1 1 A 17 17 CYS HA H 17 5.177 4.499 0.678 1 1 119 . 20 1 1 A 17 17 CYS CB C 17 32.618 28.917 3.701 1 1 121 . 20 1 1 A 17 17 CYS C C 17 176.615 175.273 1.342 1 1 123 . 20 1 1 A 18 18 GLY N N 18 113.492 109.596 3.896 1 1 124 . 20 1 1 A 18 18 GLY H H 18 8.159 8.013 0.146 1 1 125 . 20 1 1 A 18 18 GLY CA C 18 46.223 45.372 0.851 1 1 126 . 20 1 1 A 18 18 GLY HA3 H 18 4.282 4.096 0.186 1 1 127 . 20 1 1 A 18 18 GLY C C 18 174.098 174.819 -0.721 1 1 128 . 20 1 1 A 18 18 GLY HA2 H 18 3.827 4.080 -0.253 1 1 129 . 20 1 1 A 19 19 THR N N 19 120.008 116.062 3.946 1 1 130 . 20 1 1 A 19 19 THR H H 19 7.989 7.503 0.486 1 1 131 . 20 1 1 A 19 19 THR CA C 19 64.755 63.605 1.150 1 1 132 . 20 1 1 A 19 19 THR HA H 19 3.921 4.186 -0.265 1 1 133 . 20 1 1 A 19 19 THR CB C 19 68.607 69.431 -0.824 1 1 139 . 20 1 1 A 19 19 THR C C 19 171.898 173.957 -2.059 1 1 140 . 20 1 1 A 20 20 ARG N N 20 123.158 127.454 -4.296 1 1 141 . 20 1 1 A 20 20 ARG H H 20 8.057 8.520 -0.463 1 1 142 . 20 1 1 A 20 20 ARG CA C 20 55.128 56.087 -0.959 1 1 143 . 20 1 1 A 20 20 ARG HA H 20 4.787 4.910 -0.123 1 1 144 . 20 1 1 A 20 20 ARG CB C 20 33.459 32.315 1.144 1 1 150 . 20 1 1 A 20 20 ARG C C 20 174.806 175.695 -0.889 1 1 154 . 20 1 1 A 21 21 PHE N N 21 117.358 119.456 -2.098 1 1 155 . 20 1 1 A 21 21 PHE H H 21 8.245 8.529 -0.284 1 1 156 . 20 1 1 A 21 21 PHE CA C 21 57.360 56.410 0.950 1 1 157 . 20 1 1 A 21 21 PHE HA H 21 4.729 4.985 -0.256 1 1 158 . 20 1 1 A 21 21 PHE CB C 21 42.955 42.129 0.826 1 1 170 . 20 1 1 A 21 21 PHE C C 21 175.256 176.035 -0.779 1 1 172 . 20 1 1 A 22 22 ARG N N 22 120.836 123.877 -3.041 1 1 173 . 20 1 1 A 22 22 ARG H H 22 9.201 8.791 0.410 1 1 174 . 20 1 1 A 22 22 ARG CA C 22 58.190 58.719 -0.529 1 1 175 . 20 1 1 A 22 22 ARG HA H 22 4.325 4.241 0.084 1 1 176 . 20 1 1 A 22 22 ARG CB C 22 31.236 30.041 1.195 1 1 182 . 20 1 1 A 22 22 ARG C C 22 174.935 176.428 -1.493 1 1 186 . 20 1 1 A 23 23 HIS N N 23 113.110 117.988 -4.878 1 1 187 . 20 1 1 A 23 23 HIS H H 23 7.454 8.028 -0.574 1 1 188 . 20 1 1 A 23 23 HIS CA C 23 54.696 54.877 -0.181 1 1 189 . 20 1 1 A 23 23 HIS HA H 23 5.127 5.030 0.097 1 1 190 . 20 1 1 A 23 23 HIS CB C 23 33.623 33.328 0.295 1 1 196 . 20 1 1 A 23 23 HIS C C 23 175.530 175.299 0.231 1 1 198 . 20 1 1 A 24 24 LEU N N 24 127.638 124.515 3.123 1 1 199 . 20 1 1 A 24 24 LEU H H 24 8.521 8.375 0.146 1 1 200 . 20 1 1 A 24 24 LEU CA C 24 57.706 57.086 0.620 1 1 201 . 20 1 1 A 24 24 LEU HA H 24 3.365 3.712 -0.347 1 1 202 . 20 1 1 A 24 24 LEU CB C 24 41.255 41.600 -0.345 1 1 214 . 20 1 1 A 24 24 LEU C C 24 178.985 178.182 0.803 1 1 216 . 20 1 1 A 25 25 GLN N N 25 116.917 116.577 0.340 1 1 217 . 20 1 1 A 25 25 GLN H H 25 9.292 8.025 1.267 1 1 218 . 20 1 1 A 25 25 GLN CA C 25 59.059 58.270 0.789 1 1 219 . 20 1 1 A 25 25 GLN HA H 25 3.908 4.068 -0.160 1 1 220 . 20 1 1 A 25 25 GLN CB C 25 27.816 28.328 -0.512 1 1 227 . 20 1 1 A 25 25 GLN C C 25 177.986 177.537 0.449 1 1 230 . 20 1 1 A 26 26 THR N N 26 114.926 116.693 -1.767 1 1 231 . 20 1 1 A 26 26 THR H H 26 7.057 7.742 -0.685 1 1 232 . 20 1 1 A 26 26 THR CA C 26 64.923 67.136 -2.213 1 1 233 . 20 1 1 A 26 26 THR HA H 26 3.955 3.972 -0.017 1 1 234 . 20 1 1 A 26 26 THR CB C 26 67.976 68.127 -0.151 1 1 240 . 20 1 1 A 26 26 THR C C 26 176.674 176.341 0.333 1 1 241 . 20 1 1 A 27 27 LEU N N 27 123.660 121.499 2.161 1 1 242 . 20 1 1 A 27 27 LEU H H 27 7.152 8.322 -1.170 1 1 243 . 20 1 1 A 27 27 LEU CA C 27 58.092 58.187 -0.095 1 1 244 . 20 1 1 A 27 27 LEU HA H 27 3.244 2.972 0.272 1 1 245 . 20 1 1 A 27 27 LEU CB C 27 39.898 41.639 -1.741 1 1 257 . 20 1 1 A 27 27 LEU C C 27 177.543 178.577 -1.034 1 1 259 . 20 1 1 A 28 28 LYS N N 28 117.443 118.772 -1.329 1 1 260 . 20 1 1 A 28 28 LYS H H 28 8.333 8.186 0.147 1 1 261 . 20 1 1 A 28 28 LYS CA C 28 60.192 59.400 0.792 1 1 262 . 20 1 1 A 28 28 LYS HA H 28 3.846 3.921 -0.075 1 1 263 . 20 1 1 A 28 28 LYS CB C 28 31.791 32.234 -0.443 1 1 271 . 20 1 1 A 28 28 LYS C C 28 179.540 178.767 0.773 1 1 276 . 20 1 1 A 29 29 SER N N 29 113.365 114.949 -1.584 1 1 277 . 20 1 1 A 29 29 SER H H 29 7.689 7.806 -0.117 1 1 278 . 20 1 1 A 29 29 SER CA C 29 61.437 60.957 0.480 1 1 279 . 20 1 1 A 29 29 SER HA H 29 4.180 4.192 -0.012 1 1 280 . 20 1 1 A 29 29 SER CB C 29 62.744 62.882 -0.138 1 1 282 . 20 1 1 A 29 29 SER C C 29 176.740 176.845 -0.105 1 1 284 . 20 1 1 A 30 30 HIS N N 30 123.202 121.512 1.690 1 1 285 . 20 1 1 A 30 30 HIS H H 30 7.860 8.158 -0.298 1 1 286 . 20 1 1 A 30 30 HIS CA C 30 59.371 58.899 0.472 1 1 287 . 20 1 1 A 30 30 HIS HA H 30 4.185 4.153 0.032 1 1 288 . 20 1 1 A 30 30 HIS CB C 30 28.178 29.651 -1.473 1 1 294 . 20 1 1 A 30 30 HIS C C 30 176.119 176.737 -0.618 1 1 296 . 20 1 1 A 31 31 LEU N N 31 117.061 119.026 -1.965 1 1 297 . 20 1 1 A 31 31 LEU H H 31 8.307 7.602 0.705 1 1 298 . 20 1 1 A 31 31 LEU CA C 31 58.168 56.192 1.976 1 1 299 . 20 1 1 A 31 31 LEU HA H 31 3.836 3.948 -0.112 1 1 300 . 20 1 1 A 31 31 LEU CB C 31 42.239 41.276 0.963 1 1 312 . 20 1 1 A 31 31 LEU C C 31 178.830 178.293 0.537 1 1 314 . 20 1 1 A 32 32 ARG N N 32 116.244 119.770 -3.526 1 1 315 . 20 1 1 A 32 32 ARG H H 32 7.111 8.029 -0.918 1 1 316 . 20 1 1 A 32 32 ARG CA C 32 58.407 59.547 -1.140 1 1 317 . 20 1 1 A 32 32 ARG HA H 32 4.107 3.989 0.118 1 1 318 . 20 1 1 A 32 32 ARG CB C 32 30.079 30.252 -0.173 1 1 324 . 20 1 1 A 32 32 ARG C C 32 178.721 179.444 -0.723 1 1 328 . 20 1 1 A 33 33 ILE N N 33 116.545 117.602 -1.057 1 1 329 . 20 1 1 A 33 33 ILE H H 33 7.956 7.623 0.333 1 1 330 . 20 1 1 A 33 33 ILE CA C 33 63.045 63.650 -0.605 1 1 331 . 20 1 1 A 33 33 ILE HA H 33 4.000 3.765 0.235 1 1 332 . 20 1 1 A 33 33 ILE CB C 33 37.627 37.270 0.357 1 1 344 . 20 1 1 A 33 33 ILE C C 33 177.439 177.982 -0.543 1 1 346 . 20 1 1 A 34 34 HIS N N 34 117.690 119.553 -1.863 1 1 347 . 20 1 1 A 34 34 HIS H H 34 7.296 7.487 -0.191 1 1 348 . 20 1 1 A 34 34 HIS CA C 34 55.177 59.305 -4.128 1 1 349 . 20 1 1 A 34 34 HIS HA H 34 4.881 4.344 0.537 1 1 350 . 20 1 1 A 34 34 HIS CB C 34 28.970 30.369 -1.399 1 1 356 . 20 1 1 A 34 34 HIS C C 34 175.551 175.831 -0.280 1 1 358 . 20 1 1 A 35 35 THR N N 35 112.173 111.557 0.616 1 1 359 . 20 1 1 A 35 35 THR H H 35 7.832 7.735 0.097 1 1 360 . 20 1 1 A 35 35 THR CA C 35 62.557 60.375 2.182 1 1 361 . 20 1 1 A 35 35 THR HA H 35 4.368 4.559 -0.191 1 1 362 . 20 1 1 A 35 35 THR CB C 35 69.896 69.704 0.192 1 1 368 . 20 1 1 A 35 35 THR C C 35 175.372 174.082 1.290 1 1 369 . 20 1 1 A 36 36 GLY N N 36 111.215 116.535 -5.320 1 1 370 . 20 1 1 A 36 36 GLY H H 36 8.360 8.757 -0.397 1 1 371 . 20 1 1 A 36 36 GLY CA C 36 45.502 46.014 -0.512 1 1 372 . 20 1 1 A 36 36 GLY HA3 H 36 3.915 3.924 -0.009 1 1 373 . 20 1 1 A 36 36 GLY C C 36 174.238 174.133 0.105 1 1 374 . 20 1 1 A 36 36 GLY HA2 H 36 4.055 3.920 0.135 1 1 375 . 20 1 1 A 37 37 SER N N 37 115.499 111.593 3.906 1 1 376 . 20 1 1 A 37 37 SER H H 37 8.243 8.048 0.195 1 1 377 . 20 1 1 A 37 37 SER CA C 37 58.511 59.556 -1.045 1 1 378 . 20 1 1 A 37 37 SER HA H 37 4.504 4.132 0.372 1 1 379 . 20 1 1 A 37 37 SER CB C 37 63.971 61.172 2.799 1 1 381 . 20 1 1 A 37 37 SER C C 37 174.565 173.491 1.074 1 1 383 . 20 1 1 A 38 38 GLY N N 38 110.692 106.956 3.736 1 1 384 . 20 1 1 A 38 38 GLY H H 38 8.325 8.033 0.292 1 1 385 . 20 1 1 A 38 38 GLY CA C 38 44.654 44.843 -0.189 1 1 386 . 20 1 1 A 38 38 GLY HA3 H 38 4.157 4.082 0.075 1 1 387 . 20 1 1 A 38 38 GLY C C 38 171.814 172.016 -0.202 1 1 388 . 20 1 1 A 38 38 GLY HA2 H 38 4.109 4.082 0.027 1 1 389 . 20 1 1 A 39 39 PRO CA C 39 63.274 62.592 0.682 1 1 390 . 20 1 1 A 39 39 PRO HA H 39 4.483 4.588 -0.105 1 1 391 . 20 1 1 A 39 39 PRO CB C 39 32.251 31.567 0.684 1 1 397 . 20 1 1 A 39 39 PRO C C 39 177.359 176.763 0.596 1 1 401 . 20 1 1 A 40 40 SER N N 40 116.333 118.532 -2.199 1 1 402 . 20 1 1 A 40 40 SER H H 40 8.515 8.498 0.017 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 33 1.336 1 2 1 1 1 "RMS(OBS, PRED)" CA 33 1.451 1 3 1 1 1 "RMS(OBS, PRED)" CB 28 1.358 1 4 1 1 1 "RMS(OBS, PRED)" H 30 0.624 1 5 1 1 1 "RMS(OBS, PRED)" HA 38 0.269 1 6 1 1 1 "RMS(OBS, PRED)" N 30 2.775 1 7 1 2 1 "RMS(OBS, PRED)" C 33 1.235 1 8 1 2 1 "RMS(OBS, PRED)" CA 33 1.319 1 9 1 2 1 "RMS(OBS, PRED)" CB 28 1.121 1 10 1 2 1 "RMS(OBS, PRED)" H 30 0.641 1 11 1 2 1 "RMS(OBS, PRED)" HA 38 0.295 1 12 1 2 1 "RMS(OBS, PRED)" N 30 3.290 1 13 1 3 1 "RMS(OBS, PRED)" C 33 1.280 1 14 1 3 1 "RMS(OBS, PRED)" CA 33 1.361 1 15 1 3 1 "RMS(OBS, PRED)" CB 28 1.209 1 16 1 3 1 "RMS(OBS, PRED)" H 30 0.656 1 17 1 3 1 "RMS(OBS, PRED)" HA 38 0.233 1 18 1 3 1 "RMS(OBS, PRED)" N 30 3.149 1 19 1 4 1 "RMS(OBS, PRED)" C 33 1.220 1 20 1 4 1 "RMS(OBS, PRED)" CA 33 1.280 1 21 1 4 1 "RMS(OBS, PRED)" CB 28 1.188 1 22 1 4 1 "RMS(OBS, PRED)" H 30 0.624 1 23 1 4 1 "RMS(OBS, PRED)" HA 38 0.292 1 24 1 4 1 "RMS(OBS, PRED)" N 30 2.747 1 25 1 5 1 "RMS(OBS, PRED)" C 33 1.297 1 26 1 5 1 "RMS(OBS, PRED)" CA 33 1.454 1 27 1 5 1 "RMS(OBS, PRED)" CB 28 1.295 1 28 1 5 1 "RMS(OBS, PRED)" H 30 0.630 1 29 1 5 1 "RMS(OBS, PRED)" HA 38 0.298 1 30 1 5 1 "RMS(OBS, PRED)" N 30 3.213 1 31 1 6 1 "RMS(OBS, PRED)" C 33 1.242 1 32 1 6 1 "RMS(OBS, PRED)" CA 33 1.410 1 33 1 6 1 "RMS(OBS, PRED)" CB 28 1.223 1 34 1 6 1 "RMS(OBS, PRED)" H 30 0.629 1 35 1 6 1 "RMS(OBS, PRED)" HA 38 0.231 1 36 1 6 1 "RMS(OBS, PRED)" N 30 2.847 1 37 1 7 1 "RMS(OBS, PRED)" C 33 1.308 1 38 1 7 1 "RMS(OBS, PRED)" CA 33 1.353 1 39 1 7 1 "RMS(OBS, PRED)" CB 28 1.331 1 40 1 7 1 "RMS(OBS, PRED)" H 30 0.631 1 41 1 7 1 "RMS(OBS, PRED)" HA 38 0.260 1 42 1 7 1 "RMS(OBS, PRED)" N 30 3.024 1 43 1 8 1 "RMS(OBS, PRED)" C 33 1.250 1 44 1 8 1 "RMS(OBS, PRED)" CA 33 1.305 1 45 1 8 1 "RMS(OBS, PRED)" CB 28 1.311 1 46 1 8 1 "RMS(OBS, PRED)" H 30 0.634 1 47 1 8 1 "RMS(OBS, PRED)" HA 38 0.315 1 48 1 8 1 "RMS(OBS, PRED)" N 30 2.833 1 49 1 9 1 "RMS(OBS, PRED)" C 33 1.131 1 50 1 9 1 "RMS(OBS, PRED)" CA 33 1.269 1 51 1 9 1 "RMS(OBS, PRED)" CB 28 1.273 1 52 1 9 1 "RMS(OBS, PRED)" H 30 0.673 1 53 1 9 1 "RMS(OBS, PRED)" HA 38 0.272 1 54 1 9 1 "RMS(OBS, PRED)" N 30 3.061 1 55 1 10 1 "RMS(OBS, PRED)" C 33 1.036 1 56 1 10 1 "RMS(OBS, PRED)" CA 33 1.218 1 57 1 10 1 "RMS(OBS, PRED)" CB 28 1.303 1 58 1 10 1 "RMS(OBS, PRED)" H 30 0.659 1 59 1 10 1 "RMS(OBS, PRED)" HA 38 0.346 1 60 1 10 1 "RMS(OBS, PRED)" N 30 3.048 1 61 1 11 1 "RMS(OBS, PRED)" C 33 1.294 1 62 1 11 1 "RMS(OBS, PRED)" CA 33 1.293 1 63 1 11 1 "RMS(OBS, PRED)" CB 28 1.467 1 64 1 11 1 "RMS(OBS, PRED)" H 30 0.656 1 65 1 11 1 "RMS(OBS, PRED)" HA 38 0.310 1 66 1 11 1 "RMS(OBS, PRED)" N 30 2.993 1 67 1 12 1 "RMS(OBS, PRED)" C 33 1.311 1 68 1 12 1 "RMS(OBS, PRED)" CA 33 1.336 1 69 1 12 1 "RMS(OBS, PRED)" CB 28 1.079 1 70 1 12 1 "RMS(OBS, PRED)" H 30 0.601 1 71 1 12 1 "RMS(OBS, PRED)" HA 38 0.274 1 72 1 12 1 "RMS(OBS, PRED)" N 30 2.854 1 73 1 13 1 "RMS(OBS, PRED)" C 33 1.321 1 74 1 13 1 "RMS(OBS, PRED)" CA 33 1.435 1 75 1 13 1 "RMS(OBS, PRED)" CB 28 1.358 1 76 1 13 1 "RMS(OBS, PRED)" H 30 0.633 1 77 1 13 1 "RMS(OBS, PRED)" HA 38 0.292 1 78 1 13 1 "RMS(OBS, PRED)" N 30 3.011 1 79 1 14 1 "RMS(OBS, PRED)" C 33 1.151 1 80 1 14 1 "RMS(OBS, PRED)" CA 33 1.247 1 81 1 14 1 "RMS(OBS, PRED)" CB 28 1.143 1 82 1 14 1 "RMS(OBS, PRED)" H 30 0.625 1 83 1 14 1 "RMS(OBS, PRED)" HA 38 0.278 1 84 1 14 1 "RMS(OBS, PRED)" N 30 2.975 1 85 1 15 1 "RMS(OBS, PRED)" C 33 1.067 1 86 1 15 1 "RMS(OBS, PRED)" CA 33 1.395 1 87 1 15 1 "RMS(OBS, PRED)" CB 28 1.418 1 88 1 15 1 "RMS(OBS, PRED)" H 30 0.629 1 89 1 15 1 "RMS(OBS, PRED)" HA 38 0.358 1 90 1 15 1 "RMS(OBS, PRED)" N 30 3.050 1 91 1 16 1 "RMS(OBS, PRED)" C 33 1.231 1 92 1 16 1 "RMS(OBS, PRED)" CA 33 1.375 1 93 1 16 1 "RMS(OBS, PRED)" CB 28 1.077 1 94 1 16 1 "RMS(OBS, PRED)" H 30 0.610 1 95 1 16 1 "RMS(OBS, PRED)" HA 38 0.269 1 96 1 16 1 "RMS(OBS, PRED)" N 30 2.936 1 97 1 17 1 "RMS(OBS, PRED)" C 33 1.367 1 98 1 17 1 "RMS(OBS, PRED)" CA 33 1.271 1 99 1 17 1 "RMS(OBS, PRED)" CB 28 1.236 1 100 1 17 1 "RMS(OBS, PRED)" H 30 0.651 1 101 1 17 1 "RMS(OBS, PRED)" HA 38 0.299 1 102 1 17 1 "RMS(OBS, PRED)" N 30 2.910 1 103 1 18 1 "RMS(OBS, PRED)" C 33 1.256 1 104 1 18 1 "RMS(OBS, PRED)" CA 33 1.251 1 105 1 18 1 "RMS(OBS, PRED)" CB 28 1.198 1 106 1 18 1 "RMS(OBS, PRED)" H 30 0.561 1 107 1 18 1 "RMS(OBS, PRED)" HA 38 0.334 1 108 1 18 1 "RMS(OBS, PRED)" N 30 2.919 1 109 1 19 1 "RMS(OBS, PRED)" C 33 1.185 1 110 1 19 1 "RMS(OBS, PRED)" CA 33 1.385 1 111 1 19 1 "RMS(OBS, PRED)" CB 28 1.234 1 112 1 19 1 "RMS(OBS, PRED)" H 30 0.645 1 113 1 19 1 "RMS(OBS, PRED)" HA 38 0.326 1 114 1 19 1 "RMS(OBS, PRED)" N 30 3.006 1 115 1 20 1 "RMS(OBS, PRED)" C 33 1.218 1 116 1 20 1 "RMS(OBS, PRED)" CA 33 1.410 1 117 1 20 1 "RMS(OBS, PRED)" CB 28 1.368 1 118 1 20 1 "RMS(OBS, PRED)" H 30 0.622 1 119 1 20 1 "RMS(OBS, PRED)" HA 38 0.257 1 120 1 20 1 "RMS(OBS, PRED)" N 30 3.053 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 7 7 GLY CA C 7 45.530 45.494 0.036 2 1 2 . 1 1 A 7 7 GLY HA3 H 7 3.930 4.072 -0.142 2 1 3 . 1 1 A 7 7 GLY C C 7 174.617 173.807 0.810 2 1 4 . 1 1 A 7 7 GLY HA2 H 7 3.930 4.068 -0.138 2 1 5 . 1 1 A 8 8 GLY N N 8 108.339 109.572 -1.232 2 1 6 . 1 1 A 8 8 GLY H H 8 8.199 8.454 -0.256 2 1 7 . 1 1 A 8 8 GLY CA C 8 45.038 45.279 -0.241 2 1 8 . 1 1 A 8 8 GLY HA3 H 8 3.917 4.163 -0.246 2 1 9 . 1 1 A 8 8 GLY C C 8 174.079 173.249 0.830 2 1 10 . 1 1 A 8 8 GLY HA2 H 8 3.917 4.151 -0.234 2 1 11 . 1 1 A 9 9 GLU N N 9 120.351 120.997 -0.646 2 1 12 . 1 1 A 9 9 GLU H H 9 8.357 8.495 -0.138 2 1 13 . 1 1 A 9 9 GLU CA C 9 57.060 55.773 1.287 2 1 14 . 1 1 A 9 9 GLU HA H 9 4.129 4.667 -0.538 2 1 15 . 1 1 A 9 9 GLU CB C 9 30.173 31.864 -1.691 2 1 18 . 1 1 A 9 9 GLU C C 9 176.341 175.756 0.585 2 1 21 . 1 1 A 10 10 LYS N N 10 121.224 122.272 -1.048 2 1 22 . 1 1 A 10 10 LYS H H 10 8.294 8.642 -0.348 2 1 23 . 1 1 A 10 10 LYS CA C 10 53.746 54.773 -1.027 2 1 24 . 1 1 A 10 10 LYS HA H 10 4.434 4.921 -0.487 2 1 25 . 1 1 A 10 10 LYS CB C 10 33.720 32.234 1.486 2 1 33 . 1 1 A 10 10 LYS C C 10 174.180 175.721 -1.541 2 1 38 . 1 1 A 11 11 PRO CA C 11 63.617 64.153 -0.536 2 1 39 . 1 1 A 11 11 PRO HA H 11 4.269 4.438 -0.169 2 1 40 . 1 1 A 11 11 PRO CB C 11 32.493 31.373 1.120 2 1 46 . 1 1 A 11 11 PRO C C 11 176.062 175.718 0.344 2 1 50 . 1 1 A 12 12 TYR N N 12 116.760 118.621 -1.861 2 1 51 . 1 1 A 12 12 TYR H H 12 7.803 7.851 -0.048 2 1 52 . 1 1 A 12 12 TYR CA C 12 55.382 55.195 0.187 2 1 53 . 1 1 A 12 12 TYR HA H 12 5.090 5.047 0.043 2 1 54 . 1 1 A 12 12 TYR CB C 12 39.070 38.813 0.257 2 1 64 . 1 1 A 12 12 TYR C C 12 173.946 173.423 0.523 2 1 66 . 1 1 A 13 13 PRO CA C 13 61.323 63.132 -1.809 2 1 67 . 1 1 A 13 13 PRO HA H 13 4.946 4.621 0.325 2 1 68 . 1 1 A 13 13 PRO CB C 13 32.343 32.166 0.177 2 1 74 . 1 1 A 13 13 PRO C C 13 175.848 176.656 -0.808 2 1 78 . 1 1 A 14 14 CYS N N 14 122.803 121.792 1.011 2 1 79 . 1 1 A 14 14 CYS H H 14 8.973 8.675 0.298 2 1 80 . 1 1 A 14 14 CYS CA C 14 59.241 58.880 0.361 2 1 81 . 1 1 A 14 14 CYS HA H 14 4.702 4.734 -0.032 2 1 82 . 1 1 A 14 14 CYS CB C 14 29.646 28.901 0.745 2 1 84 . 1 1 A 14 14 CYS C C 14 178.137 175.178 2.959 2 1 86 . 1 1 A 15 15 GLU N N 15 132.218 124.055 8.163 2 1 87 . 1 1 A 15 15 GLU H H 15 9.723 8.874 0.849 2 1 88 . 1 1 A 15 15 GLU CA C 15 58.506 57.876 0.630 2 1 89 . 1 1 A 15 15 GLU HA H 15 4.186 4.349 -0.163 2 1 90 . 1 1 A 15 15 GLU CB C 15 29.648 30.331 -0.683 2 1 94 . 1 1 A 15 15 GLU C C 15 176.120 178.851 -2.731 2 1 97 . 1 1 A 16 16 ILE N N 16 121.803 120.204 1.599 2 1 98 . 1 1 A 16 16 ILE H H 16 8.900 7.633 1.267 2 1 99 . 1 1 A 16 16 ILE CA C 16 63.455 65.202 -1.747 2 1 100 . 1 1 A 16 16 ILE HA H 16 3.890 3.433 0.457 2 1 101 . 1 1 A 16 16 ILE CB C 16 38.217 37.060 1.157 2 1 113 . 1 1 A 16 16 ILE C C 16 177.134 177.818 -0.684 2 1 115 . 1 1 A 17 17 CYS N N 17 117.174 116.354 0.820 2 1 116 . 1 1 A 17 17 CYS H H 17 8.560 7.234 1.326 2 1 117 . 1 1 A 17 17 CYS CA C 17 58.390 59.808 -1.418 2 1 118 . 1 1 A 17 17 CYS HA H 17 5.177 4.488 0.689 2 1 119 . 1 1 A 17 17 CYS CB C 17 32.618 29.006 3.612 2 1 121 . 1 1 A 17 17 CYS C C 17 176.615 175.253 1.362 2 1 123 . 1 1 A 18 18 GLY N N 18 113.492 109.636 3.856 2 1 124 . 1 1 A 18 18 GLY H H 18 8.159 8.016 0.143 2 1 125 . 1 1 A 18 18 GLY CA C 18 46.223 45.325 0.898 2 1 126 . 1 1 A 18 18 GLY HA3 H 18 4.282 4.090 0.192 2 1 127 . 1 1 A 18 18 GLY C C 18 174.098 174.787 -0.689 2 1 128 . 1 1 A 18 18 GLY HA2 H 18 3.827 4.074 -0.247 2 1 129 . 1 1 A 19 19 THR N N 19 120.008 116.074 3.934 2 1 130 . 1 1 A 19 19 THR H H 19 7.989 7.472 0.517 2 1 131 . 1 1 A 19 19 THR CA C 19 64.755 63.545 1.210 2 1 132 . 1 1 A 19 19 THR HA H 19 3.921 4.168 -0.247 2 1 133 . 1 1 A 19 19 THR CB C 19 68.607 69.288 -0.681 2 1 139 . 1 1 A 19 19 THR C C 19 171.898 173.990 -2.092 2 1 140 . 1 1 A 20 20 ARG N N 20 123.158 127.170 -4.012 2 1 141 . 1 1 A 20 20 ARG H H 20 8.057 8.461 -0.404 2 1 142 . 1 1 A 20 20 ARG CA C 20 55.128 55.625 -0.497 2 1 143 . 1 1 A 20 20 ARG HA H 20 4.787 4.990 -0.203 2 1 144 . 1 1 A 20 20 ARG CB C 20 33.459 32.400 1.059 2 1 150 . 1 1 A 20 20 ARG C C 20 174.806 175.531 -0.725 2 1 154 . 1 1 A 21 21 PHE N N 21 117.358 120.195 -2.837 2 1 155 . 1 1 A 21 21 PHE H H 21 8.245 8.774 -0.529 2 1 156 . 1 1 A 21 21 PHE CA C 21 57.360 56.394 0.966 2 1 157 . 1 1 A 21 21 PHE HA H 21 4.729 4.908 -0.179 2 1 158 . 1 1 A 21 21 PHE CB C 21 42.955 42.349 0.606 2 1 170 . 1 1 A 21 21 PHE C C 21 175.256 176.082 -0.826 2 1 172 . 1 1 A 22 22 ARG N N 22 120.836 123.899 -3.063 2 1 173 . 1 1 A 22 22 ARG H H 22 9.201 8.882 0.319 2 1 174 . 1 1 A 22 22 ARG CA C 22 58.190 59.453 -1.263 2 1 175 . 1 1 A 22 22 ARG HA H 22 4.325 4.385 -0.060 2 1 176 . 1 1 A 22 22 ARG CB C 22 31.236 30.204 1.032 2 1 182 . 1 1 A 22 22 ARG C C 22 174.935 176.171 -1.236 2 1 186 . 1 1 A 23 23 HIS N N 23 113.110 116.012 -2.902 2 1 187 . 1 1 A 23 23 HIS H H 23 7.454 8.160 -0.706 2 1 188 . 1 1 A 23 23 HIS CA C 23 54.696 54.837 -0.141 2 1 189 . 1 1 A 23 23 HIS HA H 23 5.127 4.876 0.251 2 1 190 . 1 1 A 23 23 HIS CB C 23 33.623 32.762 0.861 2 1 196 . 1 1 A 23 23 HIS C C 23 175.530 175.303 0.228 2 1 198 . 1 1 A 24 24 LEU N N 24 127.638 124.819 2.819 2 1 199 . 1 1 A 24 24 LEU H H 24 8.521 8.320 0.201 2 1 200 . 1 1 A 24 24 LEU CA C 24 57.706 57.724 -0.018 2 1 201 . 1 1 A 24 24 LEU HA H 24 3.365 3.683 -0.318 2 1 202 . 1 1 A 24 24 LEU CB C 24 41.255 41.309 -0.054 2 1 214 . 1 1 A 24 24 LEU C C 24 178.985 178.240 0.745 2 1 216 . 1 1 A 25 25 GLN N N 25 116.917 116.778 0.139 2 1 217 . 1 1 A 25 25 GLN H H 25 9.292 8.052 1.240 2 1 218 . 1 1 A 25 25 GLN CA C 25 59.059 58.164 0.895 2 1 219 . 1 1 A 25 25 GLN HA H 25 3.908 4.060 -0.152 2 1 220 . 1 1 A 25 25 GLN CB C 25 27.816 28.216 -0.400 2 1 227 . 1 1 A 25 25 GLN C C 25 177.986 177.592 0.394 2 1 230 . 1 1 A 26 26 THR N N 26 114.926 116.779 -1.853 2 1 231 . 1 1 A 26 26 THR H H 26 7.057 7.749 -0.692 2 1 232 . 1 1 A 26 26 THR CA C 26 64.923 66.998 -2.075 2 1 233 . 1 1 A 26 26 THR HA H 26 3.955 3.941 0.014 2 1 234 . 1 1 A 26 26 THR CB C 26 67.976 68.654 -0.678 2 1 240 . 1 1 A 26 26 THR C C 26 176.674 176.045 0.629 2 1 241 . 1 1 A 27 27 LEU N N 27 123.660 121.028 2.632 2 1 242 . 1 1 A 27 27 LEU H H 27 7.152 8.011 -0.859 2 1 243 . 1 1 A 27 27 LEU CA C 27 58.092 58.034 0.058 2 1 244 . 1 1 A 27 27 LEU HA H 27 3.244 2.984 0.260 2 1 245 . 1 1 A 27 27 LEU CB C 27 39.898 41.394 -1.496 2 1 257 . 1 1 A 27 27 LEU C C 27 177.543 178.501 -0.958 2 1 259 . 1 1 A 28 28 LYS N N 28 117.443 118.837 -1.394 2 1 260 . 1 1 A 28 28 LYS H H 28 8.333 8.034 0.299 2 1 261 . 1 1 A 28 28 LYS CA C 28 60.192 59.067 1.125 2 1 262 . 1 1 A 28 28 LYS HA H 28 3.846 3.927 -0.081 2 1 263 . 1 1 A 28 28 LYS CB C 28 31.791 32.198 -0.407 2 1 271 . 1 1 A 28 28 LYS C C 28 179.540 178.602 0.938 2 1 276 . 1 1 A 29 29 SER N N 29 113.365 115.974 -2.609 2 1 277 . 1 1 A 29 29 SER H H 29 7.689 7.905 -0.217 2 1 278 . 1 1 A 29 29 SER CA C 29 61.437 60.884 0.553 2 1 279 . 1 1 A 29 29 SER HA H 29 4.180 4.243 -0.063 2 1 280 . 1 1 A 29 29 SER CB C 29 62.744 63.180 -0.436 2 1 282 . 1 1 A 29 29 SER C C 29 176.740 176.577 0.163 2 1 284 . 1 1 A 30 30 HIS N N 30 123.202 121.775 1.427 2 1 285 . 1 1 A 30 30 HIS H H 30 7.860 7.847 0.013 2 1 286 . 1 1 A 30 30 HIS CA C 30 59.371 58.415 0.956 2 1 287 . 1 1 A 30 30 HIS HA H 30 4.185 4.172 0.013 2 1 288 . 1 1 A 30 30 HIS CB C 30 28.178 29.752 -1.574 2 1 294 . 1 1 A 30 30 HIS C C 30 176.119 176.856 -0.737 2 1 296 . 1 1 A 31 31 LEU N N 31 117.061 119.022 -1.961 2 1 297 . 1 1 A 31 31 LEU H H 31 8.307 7.521 0.786 2 1 298 . 1 1 A 31 31 LEU CA C 31 58.168 56.044 2.124 2 1 299 . 1 1 A 31 31 LEU HA H 31 3.836 3.975 -0.139 2 1 300 . 1 1 A 31 31 LEU CB C 31 42.239 41.321 0.918 2 1 312 . 1 1 A 31 31 LEU C C 31 178.830 178.218 0.612 2 1 314 . 1 1 A 32 32 ARG N N 32 116.244 119.620 -3.376 2 1 315 . 1 1 A 32 32 ARG H H 32 7.111 7.762 -0.651 2 1 316 . 1 1 A 32 32 ARG CA C 32 58.407 59.140 -0.733 2 1 317 . 1 1 A 32 32 ARG HA H 32 4.107 3.994 0.113 2 1 318 . 1 1 A 32 32 ARG CB C 32 30.079 29.876 0.203 2 1 324 . 1 1 A 32 32 ARG C C 32 178.721 178.934 -0.213 2 1 328 . 1 1 A 33 33 ILE N N 33 116.545 116.586 -0.041 2 1 329 . 1 1 A 33 33 ILE H H 33 7.956 7.229 0.727 2 1 330 . 1 1 A 33 33 ILE CA C 33 63.045 63.564 -0.519 2 1 331 . 1 1 A 33 33 ILE HA H 33 4.000 3.878 0.122 2 1 332 . 1 1 A 33 33 ILE CB C 33 37.627 37.248 0.379 2 1 344 . 1 1 A 33 33 ILE C C 33 177.439 177.890 -0.451 2 1 346 . 1 1 A 34 34 HIS N N 34 117.690 119.696 -2.006 2 1 347 . 1 1 A 34 34 HIS H H 34 7.296 7.537 -0.241 2 1 348 . 1 1 A 34 34 HIS CA C 34 55.177 58.847 -3.670 2 1 349 . 1 1 A 34 34 HIS HA H 34 4.881 4.387 0.494 2 1 350 . 1 1 A 34 34 HIS CB C 34 28.970 30.607 -1.637 2 1 356 . 1 1 A 34 34 HIS C C 34 175.551 175.938 -0.387 2 1 358 . 1 1 A 35 35 THR N N 35 112.173 112.136 0.037 2 1 359 . 1 1 A 35 35 THR H H 35 7.832 7.747 0.085 2 1 360 . 1 1 A 35 35 THR CA C 35 62.557 61.150 1.407 2 1 361 . 1 1 A 35 35 THR HA H 35 4.368 4.526 -0.158 2 1 362 . 1 1 A 35 35 THR CB C 35 69.896 70.232 -0.336 2 1 368 . 1 1 A 35 35 THR C C 35 175.372 174.087 1.285 2 1 369 . 1 1 A 36 36 GLY N N 36 111.215 114.247 -3.032 2 1 370 . 1 1 A 36 36 GLY H H 36 8.360 8.418 -0.058 2 1 371 . 1 1 A 36 36 GLY CA C 36 45.502 45.571 -0.069 2 1 372 . 1 1 A 36 36 GLY HA3 H 36 3.915 4.116 -0.201 2 1 373 . 1 1 A 36 36 GLY C C 36 174.238 173.532 0.706 2 1 374 . 1 1 A 36 36 GLY HA2 H 36 4.055 4.113 -0.058 2 1 375 . 1 1 A 37 37 SER N N 37 115.499 115.767 -0.268 2 1 376 . 1 1 A 37 37 SER H H 37 8.243 8.373 -0.130 2 1 377 . 1 1 A 37 37 SER CA C 37 58.511 58.519 -0.008 2 1 378 . 1 1 A 37 37 SER HA H 37 4.504 4.659 -0.155 2 1 379 . 1 1 A 37 37 SER CB C 37 63.971 64.007 -0.036 2 1 381 . 1 1 A 37 37 SER C C 37 174.565 174.133 0.432 2 1 383 . 1 1 A 38 38 GLY N N 38 110.692 110.485 0.207 2 1 384 . 1 1 A 38 38 GLY H H 38 8.325 8.307 0.018 2 1 385 . 1 1 A 38 38 GLY CA C 38 44.654 44.659 -0.005 2 1 386 . 1 1 A 38 38 GLY HA3 H 38 4.157 4.104 0.053 2 1 387 . 1 1 A 38 38 GLY C C 38 171.814 173.473 -1.659 2 1 388 . 1 1 A 38 38 GLY HA2 H 38 4.109 4.102 0.007 2 1 389 . 1 1 A 39 39 PRO CA C 39 63.274 63.169 0.105 2 1 390 . 1 1 A 39 39 PRO HA H 39 4.483 4.584 -0.101 2 1 391 . 1 1 A 39 39 PRO CB C 39 32.251 31.677 0.574 2 1 397 . 1 1 A 39 39 PRO C C 39 177.359 176.639 0.720 2 1 401 . 1 1 A 40 40 SER N N 40 116.333 115.603 0.730 2 1 402 . 1 1 A 40 40 SER H H 40 8.515 8.303 0.212 2 stop_ save_