data_10232_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10232 _Entry.PDB_ID 2EN3 _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 4 4 GLY HA2 H 4 4.452 4.086 0.366 1 1 2 . 1 1 1 A 4 4 GLY HA3 H 4 4.452 4.087 0.365 1 1 3 . 1 1 1 A 4 4 GLY C C 4 177.372 172.113 5.259 1 1 4 . 1 1 1 A 5 5 SER H H 5 8.514 9.001 -0.487 1 1 5 . 1 1 1 A 5 5 SER HA H 5 4.517 5.127 -0.610 1 1 8 . 1 1 1 A 5 5 SER C C 5 174.470 173.148 1.322 1 1 9 . 1 1 1 A 5 5 SER CA C 5 58.246 57.803 0.443 1 1 10 . 1 1 1 A 5 5 SER CB C 5 63.845 63.765 0.080 1 1 11 . 1 1 1 A 5 5 SER N N 5 116.459 122.422 -5.963 1 1 12 . 1 1 1 A 6 6 SER C C 6 173.892 175.042 -1.150 1 1 13 . 1 1 1 A 6 6 SER CA C 6 58.410 58.864 -0.454 1 1 14 . 1 1 1 A 6 6 SER CB C 6 64.048 63.138 0.910 1 1 15 . 1 1 1 A 6 6 SER N N 6 118.058 124.515 -6.457 1 1 16 . 1 1 1 A 7 7 GLY HA2 H 7 4.032 4.007 0.025 1 1 17 . 1 1 1 A 7 7 GLY HA3 H 7 4.032 4.007 0.025 1 1 18 . 1 1 1 A 7 7 GLY C C 7 174.503 173.056 1.447 1 1 19 . 1 1 1 A 7 7 GLY CA C 7 45.426 44.773 0.653 1 1 20 . 1 1 1 A 7 7 GLY N N 7 117.426 114.424 3.002 1 1 21 . 1 1 1 A 8 8 THR H H 8 8.134 8.185 -0.051 1 1 22 . 1 1 1 A 8 8 THR HA H 8 4.361 5.081 -0.720 1 1 27 . 1 1 1 A 8 8 THR C C 8 175.191 173.422 1.769 1 1 28 . 1 1 1 A 8 8 THR CA C 8 61.847 59.575 2.272 1 1 29 . 1 1 1 A 8 8 THR CB C 8 69.840 71.226 -1.386 1 1 31 . 1 1 1 A 8 8 THR N N 8 112.760 110.047 2.713 1 1 32 . 1 1 1 A 9 9 GLY H H 9 8.413 8.708 -0.295 1 1 33 . 1 1 1 A 9 9 GLY HA2 H 9 3.947 4.167 -0.220 1 1 34 . 1 1 1 A 9 9 GLY HA3 H 9 3.900 4.168 -0.268 1 1 35 . 1 1 1 A 9 9 GLY C C 9 174.023 172.655 1.368 1 1 36 . 1 1 1 A 9 9 GLY CA C 9 45.259 44.936 0.323 1 1 37 . 1 1 1 A 9 9 GLY N N 9 110.903 109.470 1.433 1 1 38 . 1 1 1 A 10 10 GLU H H 10 8.200 8.801 -0.601 1 1 39 . 1 1 1 A 10 10 GLU HA H 10 4.168 4.812 -0.644 1 1 44 . 1 1 1 A 10 10 GLU C C 10 176.430 175.341 1.089 1 1 45 . 1 1 1 A 10 10 GLU CA C 10 56.773 55.361 1.412 1 1 46 . 1 1 1 A 10 10 GLU CB C 10 30.405 31.253 -0.848 1 1 48 . 1 1 1 A 10 10 GLU N N 10 120.140 122.815 -2.675 1 1 49 . 1 1 1 A 11 11 LYS H H 11 8.325 8.318 0.007 1 1 50 . 1 1 1 A 11 11 LYS HA H 11 4.496 4.839 -0.343 1 1 59 . 1 1 1 A 11 11 LYS C C 11 174.166 175.766 -1.600 1 1 60 . 1 1 1 A 11 11 LYS CA C 11 53.920 52.968 0.952 1 1 61 . 1 1 1 A 11 11 LYS CB C 11 33.107 34.842 -1.735 1 1 65 . 1 1 1 A 11 11 LYS N N 11 122.011 120.554 1.457 1 1 66 . 1 1 1 A 12 12 PRO HA H 12 4.242 4.275 -0.033 1 1 73 . 1 1 1 A 12 12 PRO C C 12 176.359 176.218 0.141 1 1 74 . 1 1 1 A 12 12 PRO CA C 12 63.623 64.910 -1.287 1 1 75 . 1 1 1 A 12 12 PRO CB C 12 32.138 31.580 0.558 1 1 78 . 1 1 1 A 13 13 PHE H H 13 7.984 7.917 0.067 1 1 79 . 1 1 1 A 13 13 PHE HA H 13 4.695 4.939 -0.244 1 1 87 . 1 1 1 A 13 13 PHE C C 13 174.248 175.090 -0.842 1 1 88 . 1 1 1 A 13 13 PHE CA C 13 56.993 57.498 -0.505 1 1 89 . 1 1 1 A 13 13 PHE CB C 13 39.591 41.426 -1.835 1 1 95 . 1 1 1 A 13 13 PHE N N 13 118.237 118.116 0.121 1 1 96 . 1 1 1 A 14 14 GLN H H 14 8.591 8.837 -0.246 1 1 97 . 1 1 1 A 14 14 GLN HA H 14 5.175 4.859 0.316 1 1 104 . 1 1 1 A 14 14 GLN C C 14 174.744 174.064 0.680 1 1 105 . 1 1 1 A 14 14 GLN CA C 14 54.668 55.195 -0.527 1 1 106 . 1 1 1 A 14 14 GLN CB C 14 32.675 33.295 -0.620 1 1 108 . 1 1 1 A 14 14 GLN N N 14 123.552 120.399 3.153 1 1 110 . 1 1 1 A 15 15 CYS H H 15 9.221 9.322 -0.101 1 1 111 . 1 1 1 A 15 15 CYS HA H 15 4.576 4.692 -0.116 1 1 114 . 1 1 1 A 15 15 CYS C C 15 177.443 175.723 1.720 1 1 115 . 1 1 1 A 15 15 CYS CA C 15 59.565 58.723 0.842 1 1 116 . 1 1 1 A 15 15 CYS CB C 15 29.940 29.041 0.899 1 1 117 . 1 1 1 A 15 15 CYS N N 15 128.096 123.410 4.686 1 1 118 . 1 1 1 A 16 16 LYS H H 16 9.439 9.136 0.303 1 1 119 . 1 1 1 A 16 16 LYS HA H 16 4.204 4.455 -0.251 1 1 128 . 1 1 1 A 16 16 LYS C C 16 176.882 176.820 0.062 1 1 129 . 1 1 1 A 16 16 LYS CA C 16 58.170 56.841 1.329 1 1 130 . 1 1 1 A 16 16 LYS CB C 16 32.153 32.231 -0.078 1 1 134 . 1 1 1 A 16 16 LYS N N 16 132.264 128.140 4.124 1 1 135 . 1 1 1 A 17 17 GLU H H 17 8.836 7.991 0.845 1 1 136 . 1 1 1 A 17 17 GLU HA H 17 4.201 4.267 -0.066 1 1 141 . 1 1 1 A 17 17 GLU C C 17 177.524 178.084 -0.560 1 1 142 . 1 1 1 A 17 17 GLU CA C 17 58.138 57.466 0.672 1 1 143 . 1 1 1 A 17 17 GLU CB C 17 29.276 30.284 -1.008 1 1 145 . 1 1 1 A 17 17 GLU N N 17 120.919 116.855 4.064 1 1 146 . 1 1 1 A 18 18 CYS H H 18 8.312 8.027 0.285 1 1 147 . 1 1 1 A 18 18 CYS HA H 18 5.162 4.702 0.460 1 1 150 . 1 1 1 A 18 18 CYS C C 18 176.325 176.008 0.317 1 1 151 . 1 1 1 A 18 18 CYS CA C 18 58.284 58.916 -0.632 1 1 152 . 1 1 1 A 18 18 CYS CB C 18 32.594 30.615 1.979 1 1 153 . 1 1 1 A 18 18 CYS N N 18 115.693 114.467 1.226 1 1 154 . 1 1 1 A 19 19 GLY H H 19 8.106 8.217 -0.111 1 1 155 . 1 1 1 A 19 19 GLY HA2 H 19 4.219 3.965 0.254 1 1 156 . 1 1 1 A 19 19 GLY HA3 H 19 3.757 3.974 -0.217 1 1 157 . 1 1 1 A 19 19 GLY C C 19 173.852 174.659 -0.807 1 1 158 . 1 1 1 A 19 19 GLY CA C 19 46.048 45.071 0.977 1 1 159 . 1 1 1 A 19 19 GLY N N 19 113.172 109.954 3.218 1 1 160 . 1 1 1 A 20 20 MET H H 20 7.952 7.655 0.297 1 1 161 . 1 1 1 A 20 20 MET HA H 20 3.997 4.304 -0.307 1 1 169 . 1 1 1 A 20 20 MET C C 20 173.729 176.359 -2.630 1 1 170 . 1 1 1 A 20 20 MET CA C 20 57.756 56.194 1.562 1 1 171 . 1 1 1 A 20 20 MET CB C 20 33.879 33.060 0.819 1 1 174 . 1 1 1 A 20 20 MET N N 20 122.129 121.178 0.951 1 1 175 . 1 1 1 A 21 21 ASN H H 21 7.960 8.531 -0.571 1 1 176 . 1 1 1 A 21 21 ASN HA H 21 5.375 5.628 -0.253 1 1 181 . 1 1 1 A 21 21 ASN C C 21 173.981 174.008 -0.027 1 1 182 . 1 1 1 A 21 21 ASN CA C 21 52.027 51.787 0.240 1 1 183 . 1 1 1 A 21 21 ASN CB C 21 41.679 40.272 1.407 1 1 184 . 1 1 1 A 21 21 ASN N N 21 119.653 121.516 -1.863 1 1 186 . 1 1 1 A 22 22 PHE H H 22 8.724 8.524 0.200 1 1 187 . 1 1 1 A 22 22 PHE HA H 22 4.722 4.953 -0.231 1 1 195 . 1 1 1 A 22 22 PHE C C 22 175.430 175.839 -0.409 1 1 196 . 1 1 1 A 22 22 PHE CA C 22 57.156 56.735 0.421 1 1 197 . 1 1 1 A 22 22 PHE CB C 22 43.843 42.351 1.492 1 1 203 . 1 1 1 A 22 22 PHE N N 22 116.386 119.172 -2.786 1 1 204 . 1 1 1 A 23 23 SER HA H 23 4.470 4.186 0.284 1 1 207 . 1 1 1 A 23 23 SER CA C 23 60.762 62.567 -1.805 1 1 208 . 1 1 1 A 23 23 SER CB C 23 63.389 62.326 1.063 1 1 209 . 1 1 1 A 24 24 TRP H H 24 7.303 7.711 -0.408 1 1 210 . 1 1 1 A 24 24 TRP HA H 24 5.114 4.693 0.421 1 1 219 . 1 1 1 A 24 24 TRP CA C 24 54.989 57.649 -2.660 1 1 220 . 1 1 1 A 24 24 TRP CB C 24 32.901 30.446 2.455 1 1 226 . 1 1 1 A 24 24 TRP N N 24 116.709 121.512 -4.803 1 1 228 . 1 1 1 A 25 25 SER HA H 25 2.990 2.782 0.208 1 1 231 . 1 1 1 A 25 25 SER CA C 25 61.025 59.331 1.694 1 1 232 . 1 1 1 A 25 25 SER CB C 25 61.769 63.267 -1.498 1 1 233 . 1 1 1 A 26 26 CYS HA H 26 4.272 4.059 0.213 1 1 236 . 1 1 1 A 26 26 CYS CA C 26 60.467 62.146 -1.679 1 1 237 . 1 1 1 A 26 26 CYS CB C 26 26.503 27.300 -0.797 1 1 238 . 1 1 1 A 26 26 CYS N N 26 116.694 119.309 -2.615 1 1 239 . 1 1 1 A 27 27 SER HA H 27 4.265 4.100 0.165 1 1 242 . 1 1 1 A 27 27 SER C C 27 176.277 176.230 0.047 1 1 243 . 1 1 1 A 27 27 SER CA C 27 60.808 62.439 -1.631 1 1 244 . 1 1 1 A 27 27 SER CB C 27 62.592 62.680 -0.088 1 1 245 . 1 1 1 A 27 27 SER N N 27 115.000 116.897 -1.897 1 1 246 . 1 1 1 A 28 28 LEU H H 28 6.993 7.931 -0.938 1 1 247 . 1 1 1 A 28 28 LEU HA H 28 3.081 2.509 0.572 1 1 257 . 1 1 1 A 28 28 LEU C C 28 177.247 178.547 -1.300 1 1 258 . 1 1 1 A 28 28 LEU CA C 28 57.825 57.617 0.208 1 1 259 . 1 1 1 A 28 28 LEU CB C 28 40.078 41.430 -1.352 1 1 263 . 1 1 1 A 28 28 LEU N N 28 124.148 122.185 1.963 1 1 264 . 1 1 1 A 29 29 PHE H H 29 8.208 8.391 -0.183 1 1 265 . 1 1 1 A 29 29 PHE HA H 29 4.178 3.947 0.231 1 1 273 . 1 1 1 A 29 29 PHE C C 29 178.527 177.790 0.737 1 1 274 . 1 1 1 A 29 29 PHE CA C 29 61.303 61.785 -0.482 1 1 275 . 1 1 1 A 29 29 PHE CB C 29 37.971 39.113 -1.142 1 1 281 . 1 1 1 A 29 29 PHE N N 29 118.075 119.397 -1.322 1 1 282 . 1 1 1 A 30 30 LYS H H 30 7.660 8.033 -0.373 1 1 283 . 1 1 1 A 30 30 LYS HA H 30 3.959 4.056 -0.097 1 1 292 . 1 1 1 A 30 30 LYS C C 30 179.126 178.507 0.619 1 1 293 . 1 1 1 A 30 30 LYS CA C 30 59.586 59.283 0.303 1 1 294 . 1 1 1 A 30 30 LYS CB C 30 32.503 31.992 0.511 1 1 298 . 1 1 1 A 30 30 LYS N N 30 118.194 117.944 0.250 1 1 299 . 1 1 1 A 31 31 HIS H H 31 7.637 8.184 -0.547 1 1 300 . 1 1 1 A 31 31 HIS HA H 31 4.205 4.238 -0.033 1 1 305 . 1 1 1 A 31 31 HIS C C 31 177.985 176.905 1.080 1 1 306 . 1 1 1 A 31 31 HIS CA C 31 59.463 59.143 0.320 1 1 307 . 1 1 1 A 31 31 HIS CB C 31 28.534 30.059 -1.525 1 1 310 . 1 1 1 A 31 31 HIS N N 31 119.604 119.683 -0.079 1 1 311 . 1 1 1 A 32 32 LEU H H 32 8.690 8.569 0.121 1 1 312 . 1 1 1 A 32 32 LEU HA H 32 3.861 3.996 -0.135 1 1 322 . 1 1 1 A 32 32 LEU C C 32 179.506 179.230 0.276 1 1 323 . 1 1 1 A 32 32 LEU CA C 32 58.447 58.080 0.367 1 1 324 . 1 1 1 A 32 32 LEU CB C 32 41.560 41.153 0.407 1 1 328 . 1 1 1 A 32 32 LEU N N 32 121.283 119.410 1.873 1 1 329 . 1 1 1 A 33 33 ARG H H 33 7.178 7.834 -0.656 1 1 330 . 1 1 1 A 33 33 ARG HA H 33 4.071 3.959 0.112 1 1 337 . 1 1 1 A 33 33 ARG C C 33 178.314 178.139 0.175 1 1 338 . 1 1 1 A 33 33 ARG CA C 33 58.320 58.525 -0.205 1 1 339 . 1 1 1 A 33 33 ARG CB C 33 29.531 29.906 -0.375 1 1 342 . 1 1 1 A 33 33 ARG N N 33 117.400 118.111 -0.711 1 1 343 . 1 1 1 A 34 34 SER H H 34 7.837 8.030 -0.193 1 1 344 . 1 1 1 A 34 34 SER HA H 34 4.196 4.027 0.169 1 1 347 . 1 1 1 A 34 34 SER C C 34 174.873 175.441 -0.568 1 1 348 . 1 1 1 A 34 34 SER CA C 34 60.482 60.509 -0.027 1 1 349 . 1 1 1 A 34 34 SER CB C 34 63.140 62.573 0.567 1 1 350 . 1 1 1 A 34 34 SER N N 34 114.440 114.979 -0.539 1 1 351 . 1 1 1 A 35 35 HIS H H 35 7.204 7.962 -0.758 1 1 352 . 1 1 1 A 35 35 HIS HA H 35 4.773 4.722 0.051 1 1 357 . 1 1 1 A 35 35 HIS C C 35 174.959 177.552 -2.593 1 1 358 . 1 1 1 A 35 35 HIS CA C 35 55.192 57.835 -2.643 1 1 359 . 1 1 1 A 35 35 HIS CB C 35 29.005 31.212 -2.207 1 1 362 . 1 1 1 A 35 35 HIS N N 35 118.479 117.248 1.231 1 1 363 . 1 1 1 A 36 36 GLU H H 36 7.583 8.693 -1.110 1 1 364 . 1 1 1 A 36 36 GLU HA H 36 4.256 3.918 0.338 1 1 369 . 1 1 1 A 36 36 GLU C C 36 176.328 178.348 -2.020 1 1 370 . 1 1 1 A 36 36 GLU CA C 36 56.841 59.142 -2.301 1 1 371 . 1 1 1 A 36 36 GLU CB C 36 30.329 29.100 1.229 1 1 373 . 1 1 1 A 36 36 GLU N N 36 120.262 117.963 2.299 1 1 374 . 1 1 1 A 37 37 ARG H H 37 8.387 7.963 0.424 1 1 375 . 1 1 1 A 37 37 ARG HA H 37 4.453 4.206 0.247 1 1 382 . 1 1 1 A 37 37 ARG C C 37 176.254 175.637 0.617 1 1 383 . 1 1 1 A 37 37 ARG CA C 37 55.900 57.913 -2.013 1 1 384 . 1 1 1 A 37 37 ARG CB C 37 30.906 31.372 -0.466 1 1 387 . 1 1 1 A 37 37 ARG N N 37 122.086 120.215 1.871 1 1 388 . 1 1 1 A 38 38 THR H H 38 8.275 8.023 0.252 1 1 389 . 1 1 1 A 38 38 THR HA H 38 4.328 4.823 -0.495 1 1 394 . 1 1 1 A 38 38 THR C C 38 174.006 174.040 -0.034 1 1 395 . 1 1 1 A 38 38 THR CA C 38 61.731 62.002 -0.271 1 1 396 . 1 1 1 A 38 38 THR CB C 38 69.937 70.910 -0.973 1 1 398 . 1 1 1 A 38 38 THR N N 38 115.922 113.306 2.616 1 1 399 . 1 1 1 A 39 39 ASP H H 39 8.437 8.644 -0.207 1 1 400 . 1 1 1 A 39 39 ASP HA H 39 4.900 5.020 -0.120 1 1 403 . 1 1 1 A 39 39 ASP C C 39 174.780 176.178 -1.398 1 1 404 . 1 1 1 A 39 39 ASP CA C 39 52.198 52.197 0.001 1 1 405 . 1 1 1 A 39 39 ASP CB C 39 41.197 40.989 0.208 1 1 406 . 1 1 1 A 39 39 ASP N N 39 124.343 124.579 -0.236 1 1 407 . 1 1 1 A 40 40 PRO HA H 40 4.467 4.445 0.022 1 1 414 . 1 1 1 A 40 40 PRO CA C 40 63.632 63.502 0.130 1 1 415 . 1 1 1 A 40 40 PRO CB C 40 32.113 32.022 0.091 1 1 418 . 1 1 1 A 41 41 SER H H 41 8.481 8.173 0.308 1 1 419 . 1 1 1 A 41 41 SER HA H 41 4.463 4.086 0.377 1 1 422 . 1 1 1 A 41 41 SER CA C 41 58.677 59.358 -0.681 1 1 423 . 1 1 1 A 41 41 SER CB C 41 63.874 62.253 1.621 1 1 424 . 1 1 1 A 41 41 SER N N 41 115.801 114.169 1.632 1 1 425 . 1 1 1 A 42 42 GLY H H 42 8.086 8.334 -0.248 1 1 426 . 1 1 1 A 42 42 GLY HA2 H 42 4.173 4.022 0.151 1 1 427 . 1 1 1 A 42 42 GLY HA3 H 42 4.065 4.022 0.043 1 1 428 . 1 1 1 A 42 42 GLY CA C 42 44.752 44.221 0.531 1 1 429 . 1 1 1 A 42 42 GLY N N 42 110.426 106.583 3.843 1 1 430 . 1 1 1 A 43 43 PRO HA H 43 4.488 4.730 -0.242 1 1 437 . 1 1 1 A 43 43 PRO CA C 43 63.241 62.286 0.955 1 1 438 . 1 1 1 A 43 43 PRO CB C 43 32.157 30.127 2.030 1 1 1 . 2 1 1 A 4 4 GLY HA2 H 4 4.452 4.165 0.287 1 1 2 . 2 1 1 A 4 4 GLY HA3 H 4 4.452 4.165 0.287 1 1 3 . 2 1 1 A 4 4 GLY C C 4 177.372 174.290 3.082 1 1 4 . 2 1 1 A 5 5 SER H H 5 8.514 9.026 -0.512 1 1 5 . 2 1 1 A 5 5 SER HA H 5 4.517 4.168 0.349 1 1 8 . 2 1 1 A 5 5 SER C C 5 174.470 173.784 0.686 1 1 9 . 2 1 1 A 5 5 SER CA C 5 58.246 59.008 -0.762 1 1 10 . 2 1 1 A 5 5 SER CB C 5 63.845 62.018 1.827 1 1 11 . 2 1 1 A 5 5 SER N N 5 116.459 118.519 -2.060 1 1 12 . 2 1 1 A 6 6 SER C C 6 173.892 174.062 -0.170 1 1 13 . 2 1 1 A 6 6 SER CA C 6 58.410 57.907 0.503 1 1 14 . 2 1 1 A 6 6 SER CB C 6 64.048 64.587 -0.539 1 1 15 . 2 1 1 A 6 6 SER N N 6 118.058 113.428 4.630 1 1 16 . 2 1 1 A 7 7 GLY HA2 H 7 4.032 4.191 -0.159 1 1 17 . 2 1 1 A 7 7 GLY HA3 H 7 4.032 4.192 -0.160 1 1 18 . 2 1 1 A 7 7 GLY C C 7 174.503 173.016 1.487 1 1 19 . 2 1 1 A 7 7 GLY CA C 7 45.426 46.292 -0.866 1 1 20 . 2 1 1 A 7 7 GLY N N 7 117.426 108.621 8.805 1 1 21 . 2 1 1 A 8 8 THR H H 8 8.134 8.268 -0.134 1 1 22 . 2 1 1 A 8 8 THR HA H 8 4.361 4.182 0.179 1 1 27 . 2 1 1 A 8 8 THR C C 8 175.191 174.614 0.577 1 1 28 . 2 1 1 A 8 8 THR CA C 8 61.847 62.321 -0.474 1 1 29 . 2 1 1 A 8 8 THR CB C 8 69.840 69.488 0.352 1 1 31 . 2 1 1 A 8 8 THR N N 8 112.760 116.025 -3.265 1 1 32 . 2 1 1 A 9 9 GLY H H 9 8.413 8.312 0.101 1 1 33 . 2 1 1 A 9 9 GLY HA2 H 9 3.947 4.039 -0.092 1 1 34 . 2 1 1 A 9 9 GLY HA3 H 9 3.900 4.039 -0.139 1 1 35 . 2 1 1 A 9 9 GLY C C 9 174.023 173.107 0.916 1 1 36 . 2 1 1 A 9 9 GLY CA C 9 45.259 44.797 0.462 1 1 37 . 2 1 1 A 9 9 GLY N N 9 110.903 110.670 0.233 1 1 38 . 2 1 1 A 10 10 GLU H H 10 8.200 8.362 -0.162 1 1 39 . 2 1 1 A 10 10 GLU HA H 10 4.168 4.552 -0.384 1 1 44 . 2 1 1 A 10 10 GLU C C 10 176.430 175.603 0.827 1 1 45 . 2 1 1 A 10 10 GLU CA C 10 56.773 55.957 0.816 1 1 46 . 2 1 1 A 10 10 GLU CB C 10 30.405 30.800 -0.395 1 1 48 . 2 1 1 A 10 10 GLU N N 10 120.140 122.479 -2.339 1 1 49 . 2 1 1 A 11 11 LYS H H 11 8.325 8.368 -0.043 1 1 50 . 2 1 1 A 11 11 LYS HA H 11 4.496 4.851 -0.355 1 1 59 . 2 1 1 A 11 11 LYS C C 11 174.166 175.946 -1.780 1 1 60 . 2 1 1 A 11 11 LYS CA C 11 53.920 53.023 0.897 1 1 61 . 2 1 1 A 11 11 LYS CB C 11 33.107 34.564 -1.457 1 1 65 . 2 1 1 A 11 11 LYS N N 11 122.011 125.795 -3.784 1 1 66 . 2 1 1 A 12 12 PRO HA H 12 4.242 4.415 -0.173 1 1 73 . 2 1 1 A 12 12 PRO C C 12 176.359 176.394 -0.035 1 1 74 . 2 1 1 A 12 12 PRO CA C 12 63.623 65.113 -1.490 1 1 75 . 2 1 1 A 12 12 PRO CB C 12 32.138 31.969 0.169 1 1 78 . 2 1 1 A 13 13 PHE H H 13 7.984 8.133 -0.149 1 1 79 . 2 1 1 A 13 13 PHE HA H 13 4.695 4.884 -0.189 1 1 87 . 2 1 1 A 13 13 PHE C C 13 174.248 175.189 -0.941 1 1 88 . 2 1 1 A 13 13 PHE CA C 13 56.993 57.609 -0.616 1 1 89 . 2 1 1 A 13 13 PHE CB C 13 39.591 41.189 -1.598 1 1 95 . 2 1 1 A 13 13 PHE N N 13 118.237 118.138 0.099 1 1 96 . 2 1 1 A 14 14 GLN H H 14 8.591 8.802 -0.211 1 1 97 . 2 1 1 A 14 14 GLN HA H 14 5.175 5.033 0.142 1 1 104 . 2 1 1 A 14 14 GLN C C 14 174.744 174.068 0.676 1 1 105 . 2 1 1 A 14 14 GLN CA C 14 54.668 55.081 -0.413 1 1 106 . 2 1 1 A 14 14 GLN CB C 14 32.675 33.309 -0.634 1 1 108 . 2 1 1 A 14 14 GLN N N 14 123.552 120.412 3.140 1 1 110 . 2 1 1 A 15 15 CYS H H 15 9.221 9.168 0.053 1 1 111 . 2 1 1 A 15 15 CYS HA H 15 4.576 4.727 -0.151 1 1 114 . 2 1 1 A 15 15 CYS C C 15 177.443 175.916 1.527 1 1 115 . 2 1 1 A 15 15 CYS CA C 15 59.565 58.125 1.440 1 1 116 . 2 1 1 A 15 15 CYS CB C 15 29.940 29.923 0.017 1 1 117 . 2 1 1 A 15 15 CYS N N 15 128.096 123.523 4.573 1 1 118 . 2 1 1 A 16 16 LYS H H 16 9.439 9.074 0.365 1 1 119 . 2 1 1 A 16 16 LYS HA H 16 4.204 4.367 -0.163 1 1 128 . 2 1 1 A 16 16 LYS C C 16 176.882 176.869 0.013 1 1 129 . 2 1 1 A 16 16 LYS CA C 16 58.170 57.616 0.554 1 1 130 . 2 1 1 A 16 16 LYS CB C 16 32.153 32.041 0.112 1 1 134 . 2 1 1 A 16 16 LYS N N 16 132.264 128.590 3.674 1 1 135 . 2 1 1 A 17 17 GLU H H 17 8.836 7.941 0.895 1 1 136 . 2 1 1 A 17 17 GLU HA H 17 4.201 4.267 -0.066 1 1 141 . 2 1 1 A 17 17 GLU C C 17 177.524 178.065 -0.541 1 1 142 . 2 1 1 A 17 17 GLU CA C 17 58.138 57.521 0.617 1 1 143 . 2 1 1 A 17 17 GLU CB C 17 29.276 30.299 -1.023 1 1 145 . 2 1 1 A 17 17 GLU N N 17 120.919 117.046 3.873 1 1 146 . 2 1 1 A 18 18 CYS H H 18 8.312 8.022 0.290 1 1 147 . 2 1 1 A 18 18 CYS HA H 18 5.162 4.685 0.477 1 1 150 . 2 1 1 A 18 18 CYS C C 18 176.325 176.075 0.250 1 1 151 . 2 1 1 A 18 18 CYS CA C 18 58.284 58.966 -0.682 1 1 152 . 2 1 1 A 18 18 CYS CB C 18 32.594 30.616 1.978 1 1 153 . 2 1 1 A 18 18 CYS N N 18 115.693 114.622 1.071 1 1 154 . 2 1 1 A 19 19 GLY H H 19 8.106 8.298 -0.192 1 1 155 . 2 1 1 A 19 19 GLY HA2 H 19 4.219 3.964 0.255 1 1 156 . 2 1 1 A 19 19 GLY HA3 H 19 3.757 3.972 -0.215 1 1 157 . 2 1 1 A 19 19 GLY C C 19 173.852 174.697 -0.845 1 1 158 . 2 1 1 A 19 19 GLY CA C 19 46.048 45.143 0.905 1 1 159 . 2 1 1 A 19 19 GLY N N 19 113.172 110.062 3.110 1 1 160 . 2 1 1 A 20 20 MET H H 20 7.952 7.641 0.311 1 1 161 . 2 1 1 A 20 20 MET HA H 20 3.997 4.325 -0.328 1 1 169 . 2 1 1 A 20 20 MET C C 20 173.729 176.357 -2.628 1 1 170 . 2 1 1 A 20 20 MET CA C 20 57.756 56.208 1.548 1 1 171 . 2 1 1 A 20 20 MET CB C 20 33.879 33.149 0.730 1 1 174 . 2 1 1 A 20 20 MET N N 20 122.129 121.109 1.020 1 1 175 . 2 1 1 A 21 21 ASN H H 21 7.960 8.609 -0.649 1 1 176 . 2 1 1 A 21 21 ASN HA H 21 5.375 5.642 -0.267 1 1 181 . 2 1 1 A 21 21 ASN C C 21 173.981 173.984 -0.003 1 1 182 . 2 1 1 A 21 21 ASN CA C 21 52.027 51.763 0.264 1 1 183 . 2 1 1 A 21 21 ASN CB C 21 41.679 40.257 1.422 1 1 184 . 2 1 1 A 21 21 ASN N N 21 119.653 121.058 -1.405 1 1 186 . 2 1 1 A 22 22 PHE H H 22 8.724 8.620 0.104 1 1 187 . 2 1 1 A 22 22 PHE HA H 22 4.722 4.921 -0.199 1 1 195 . 2 1 1 A 22 22 PHE C C 22 175.430 175.784 -0.354 1 1 196 . 2 1 1 A 22 22 PHE CA C 22 57.156 56.942 0.214 1 1 197 . 2 1 1 A 22 22 PHE CB C 22 43.843 42.837 1.006 1 1 203 . 2 1 1 A 22 22 PHE N N 22 116.386 119.496 -3.110 1 1 204 . 2 1 1 A 23 23 SER HA H 23 4.470 4.267 0.203 1 1 207 . 2 1 1 A 23 23 SER CA C 23 60.762 61.440 -0.678 1 1 208 . 2 1 1 A 23 23 SER CB C 23 63.389 62.760 0.629 1 1 209 . 2 1 1 A 24 24 TRP H H 24 7.303 7.714 -0.411 1 1 210 . 2 1 1 A 24 24 TRP HA H 24 5.114 4.640 0.474 1 1 219 . 2 1 1 A 24 24 TRP CA C 24 54.989 57.467 -2.478 1 1 220 . 2 1 1 A 24 24 TRP CB C 24 32.901 30.287 2.614 1 1 226 . 2 1 1 A 24 24 TRP N N 24 116.709 122.467 -5.758 1 1 228 . 2 1 1 A 25 25 SER HA H 25 2.990 2.816 0.174 1 1 231 . 2 1 1 A 25 25 SER CA C 25 61.025 60.833 0.192 1 1 232 . 2 1 1 A 25 25 SER CB C 25 61.769 63.605 -1.836 1 1 233 . 2 1 1 A 26 26 CYS HA H 26 4.272 4.128 0.144 1 1 236 . 2 1 1 A 26 26 CYS CA C 26 60.467 63.237 -2.770 1 1 237 . 2 1 1 A 26 26 CYS CB C 26 26.503 26.448 0.055 1 1 238 . 2 1 1 A 26 26 CYS N N 26 116.694 119.881 -3.187 1 1 239 . 2 1 1 A 27 27 SER HA H 27 4.265 4.108 0.157 1 1 242 . 2 1 1 A 27 27 SER C C 27 176.277 176.124 0.153 1 1 243 . 2 1 1 A 27 27 SER CA C 27 60.808 62.214 -1.406 1 1 244 . 2 1 1 A 27 27 SER CB C 27 62.592 62.627 -0.035 1 1 245 . 2 1 1 A 27 27 SER N N 27 115.000 116.463 -1.463 1 1 246 . 2 1 1 A 28 28 LEU H H 28 6.993 7.931 -0.938 1 1 247 . 2 1 1 A 28 28 LEU HA H 28 3.081 2.519 0.562 1 1 257 . 2 1 1 A 28 28 LEU C C 28 177.247 178.641 -1.394 1 1 258 . 2 1 1 A 28 28 LEU CA C 28 57.825 57.853 -0.028 1 1 259 . 2 1 1 A 28 28 LEU CB C 28 40.078 41.463 -1.385 1 1 263 . 2 1 1 A 28 28 LEU N N 28 124.148 122.305 1.843 1 1 264 . 2 1 1 A 29 29 PHE H H 29 8.208 8.263 -0.055 1 1 265 . 2 1 1 A 29 29 PHE HA H 29 4.178 3.951 0.227 1 1 273 . 2 1 1 A 29 29 PHE C C 29 178.527 177.707 0.820 1 1 274 . 2 1 1 A 29 29 PHE CA C 29 61.303 61.918 -0.615 1 1 275 . 2 1 1 A 29 29 PHE CB C 29 37.971 39.222 -1.251 1 1 281 . 2 1 1 A 29 29 PHE N N 29 118.075 119.459 -1.384 1 1 282 . 2 1 1 A 30 30 LYS H H 30 7.660 7.901 -0.241 1 1 283 . 2 1 1 A 30 30 LYS HA H 30 3.959 4.013 -0.054 1 1 292 . 2 1 1 A 30 30 LYS C C 30 179.126 178.852 0.274 1 1 293 . 2 1 1 A 30 30 LYS CA C 30 59.586 59.389 0.197 1 1 294 . 2 1 1 A 30 30 LYS CB C 30 32.503 32.011 0.492 1 1 298 . 2 1 1 A 30 30 LYS N N 30 118.194 117.645 0.549 1 1 299 . 2 1 1 A 31 31 HIS H H 31 7.637 8.324 -0.687 1 1 300 . 2 1 1 A 31 31 HIS HA H 31 4.205 4.238 -0.033 1 1 305 . 2 1 1 A 31 31 HIS C C 31 177.985 176.915 1.070 1 1 306 . 2 1 1 A 31 31 HIS CA C 31 59.463 59.126 0.337 1 1 307 . 2 1 1 A 31 31 HIS CB C 31 28.534 29.957 -1.423 1 1 310 . 2 1 1 A 31 31 HIS N N 31 119.604 119.719 -0.115 1 1 311 . 2 1 1 A 32 32 LEU H H 32 8.690 8.726 -0.036 1 1 312 . 2 1 1 A 32 32 LEU HA H 32 3.861 4.006 -0.145 1 1 322 . 2 1 1 A 32 32 LEU C C 32 179.506 179.235 0.271 1 1 323 . 2 1 1 A 32 32 LEU CA C 32 58.447 58.116 0.331 1 1 324 . 2 1 1 A 32 32 LEU CB C 32 41.560 41.201 0.359 1 1 328 . 2 1 1 A 32 32 LEU N N 32 121.283 119.524 1.759 1 1 329 . 2 1 1 A 33 33 ARG H H 33 7.178 7.863 -0.685 1 1 330 . 2 1 1 A 33 33 ARG HA H 33 4.071 3.958 0.113 1 1 337 . 2 1 1 A 33 33 ARG C C 33 178.314 178.140 0.174 1 1 338 . 2 1 1 A 33 33 ARG CA C 33 58.320 58.524 -0.204 1 1 339 . 2 1 1 A 33 33 ARG CB C 33 29.531 29.947 -0.416 1 1 342 . 2 1 1 A 33 33 ARG N N 33 117.400 117.766 -0.366 1 1 343 . 2 1 1 A 34 34 SER H H 34 7.837 8.058 -0.221 1 1 344 . 2 1 1 A 34 34 SER HA H 34 4.196 4.031 0.165 1 1 347 . 2 1 1 A 34 34 SER C C 34 174.873 175.447 -0.574 1 1 348 . 2 1 1 A 34 34 SER CA C 34 60.482 60.515 -0.033 1 1 349 . 2 1 1 A 34 34 SER CB C 34 63.140 62.585 0.555 1 1 350 . 2 1 1 A 34 34 SER N N 34 114.440 114.974 -0.534 1 1 351 . 2 1 1 A 35 35 HIS H H 35 7.204 7.981 -0.777 1 1 352 . 2 1 1 A 35 35 HIS HA H 35 4.773 4.512 0.261 1 1 357 . 2 1 1 A 35 35 HIS C C 35 174.959 177.569 -2.610 1 1 358 . 2 1 1 A 35 35 HIS CA C 35 55.192 57.844 -2.652 1 1 359 . 2 1 1 A 35 35 HIS CB C 35 29.005 31.218 -2.213 1 1 362 . 2 1 1 A 35 35 HIS N N 35 118.479 117.263 1.216 1 1 363 . 2 1 1 A 36 36 GLU H H 36 7.583 8.396 -0.813 1 1 364 . 2 1 1 A 36 36 GLU HA H 36 4.256 3.941 0.315 1 1 369 . 2 1 1 A 36 36 GLU C C 36 176.328 178.642 -2.314 1 1 370 . 2 1 1 A 36 36 GLU CA C 36 56.841 59.497 -2.656 1 1 371 . 2 1 1 A 36 36 GLU CB C 36 30.329 29.175 1.154 1 1 373 . 2 1 1 A 36 36 GLU N N 36 120.262 117.983 2.279 1 1 374 . 2 1 1 A 37 37 ARG H H 37 8.387 8.286 0.101 1 1 375 . 2 1 1 A 37 37 ARG HA H 37 4.453 4.125 0.328 1 1 382 . 2 1 1 A 37 37 ARG C C 37 176.254 176.839 -0.585 1 1 383 . 2 1 1 A 37 37 ARG CA C 37 55.900 58.618 -2.718 1 1 384 . 2 1 1 A 37 37 ARG CB C 37 30.906 30.024 0.882 1 1 387 . 2 1 1 A 37 37 ARG N N 37 122.086 118.297 3.789 1 1 388 . 2 1 1 A 38 38 THR H H 38 8.275 7.634 0.641 1 1 389 . 2 1 1 A 38 38 THR HA H 38 4.328 4.197 0.131 1 1 394 . 2 1 1 A 38 38 THR C C 38 174.006 174.035 -0.029 1 1 395 . 2 1 1 A 38 38 THR CA C 38 61.731 64.465 -2.734 1 1 396 . 2 1 1 A 38 38 THR CB C 38 69.937 69.449 0.488 1 1 398 . 2 1 1 A 38 38 THR N N 38 115.922 117.177 -1.255 1 1 399 . 2 1 1 A 39 39 ASP H H 39 8.437 8.664 -0.227 1 1 400 . 2 1 1 A 39 39 ASP HA H 39 4.900 5.054 -0.154 1 1 403 . 2 1 1 A 39 39 ASP C C 39 174.780 174.597 0.183 1 1 404 . 2 1 1 A 39 39 ASP CA C 39 52.198 51.147 1.051 1 1 405 . 2 1 1 A 39 39 ASP CB C 39 41.197 42.655 -1.458 1 1 406 . 2 1 1 A 39 39 ASP N N 39 124.343 127.380 -3.037 1 1 407 . 2 1 1 A 40 40 PRO HA H 40 4.467 4.743 -0.276 1 1 414 . 2 1 1 A 40 40 PRO CA C 40 63.632 62.499 1.133 1 1 415 . 2 1 1 A 40 40 PRO CB C 40 32.113 29.770 2.343 1 1 418 . 2 1 1 A 41 41 SER H H 41 8.481 8.030 0.451 1 1 419 . 2 1 1 A 41 41 SER HA H 41 4.463 4.961 -0.498 1 1 422 . 2 1 1 A 41 41 SER CA C 41 58.677 57.615 1.062 1 1 423 . 2 1 1 A 41 41 SER CB C 41 63.874 66.199 -2.325 1 1 424 . 2 1 1 A 41 41 SER N N 41 115.801 114.016 1.785 1 1 425 . 2 1 1 A 42 42 GLY H H 42 8.086 8.741 -0.655 1 1 426 . 2 1 1 A 42 42 GLY HA2 H 42 4.173 4.051 0.122 1 1 427 . 2 1 1 A 42 42 GLY HA3 H 42 4.065 4.052 0.013 1 1 428 . 2 1 1 A 42 42 GLY CA C 42 44.752 44.791 -0.039 1 1 429 . 2 1 1 A 42 42 GLY N N 42 110.426 109.748 0.678 1 1 430 . 2 1 1 A 43 43 PRO HA H 43 4.488 4.610 -0.122 1 1 437 . 2 1 1 A 43 43 PRO CA C 43 63.241 62.924 0.317 1 1 438 . 2 1 1 A 43 43 PRO CB C 43 32.157 31.728 0.429 1 1 1 . 3 1 1 A 4 4 GLY HA2 H 4 4.452 4.031 0.421 1 1 2 . 3 1 1 A 4 4 GLY HA3 H 4 4.452 4.032 0.420 1 1 3 . 3 1 1 A 4 4 GLY C C 4 177.372 175.911 1.461 1 1 4 . 3 1 1 A 5 5 SER H H 5 8.514 8.920 -0.406 1 1 5 . 3 1 1 A 5 5 SER HA H 5 4.517 4.075 0.442 1 1 8 . 3 1 1 A 5 5 SER C C 5 174.470 174.405 0.065 1 1 9 . 3 1 1 A 5 5 SER CA C 5 58.246 61.476 -3.230 1 1 10 . 3 1 1 A 5 5 SER CB C 5 63.845 62.873 0.972 1 1 11 . 3 1 1 A 5 5 SER N N 5 116.459 119.508 -3.049 1 1 12 . 3 1 1 A 6 6 SER C C 6 173.892 173.242 0.650 1 1 13 . 3 1 1 A 6 6 SER CA C 6 58.410 59.157 -0.747 1 1 14 . 3 1 1 A 6 6 SER CB C 6 64.048 62.298 1.750 1 1 15 . 3 1 1 A 6 6 SER N N 6 118.058 114.595 3.463 1 1 16 . 3 1 1 A 7 7 GLY HA2 H 7 4.032 4.130 -0.098 1 1 17 . 3 1 1 A 7 7 GLY HA3 H 7 4.032 4.132 -0.100 1 1 18 . 3 1 1 A 7 7 GLY C C 7 174.503 171.905 2.598 1 1 19 . 3 1 1 A 7 7 GLY CA C 7 45.426 45.642 -0.216 1 1 20 . 3 1 1 A 7 7 GLY N N 7 117.426 107.259 10.167 1 1 21 . 3 1 1 A 8 8 THR H H 8 8.134 8.515 -0.381 1 1 22 . 3 1 1 A 8 8 THR HA H 8 4.361 4.628 -0.267 1 1 27 . 3 1 1 A 8 8 THR C C 8 175.191 174.126 1.065 1 1 28 . 3 1 1 A 8 8 THR CA C 8 61.847 60.755 1.092 1 1 29 . 3 1 1 A 8 8 THR CB C 8 69.840 69.719 0.121 1 1 31 . 3 1 1 A 8 8 THR N N 8 112.760 114.841 -2.081 1 1 32 . 3 1 1 A 9 9 GLY H H 9 8.413 8.184 0.229 1 1 33 . 3 1 1 A 9 9 GLY HA2 H 9 3.947 3.827 0.120 1 1 34 . 3 1 1 A 9 9 GLY HA3 H 9 3.900 3.828 0.072 1 1 35 . 3 1 1 A 9 9 GLY C C 9 174.023 174.218 -0.195 1 1 36 . 3 1 1 A 9 9 GLY CA C 9 45.259 46.821 -1.562 1 1 37 . 3 1 1 A 9 9 GLY N N 9 110.903 111.442 -0.539 1 1 38 . 3 1 1 A 10 10 GLU H H 10 8.200 8.329 -0.129 1 1 39 . 3 1 1 A 10 10 GLU HA H 10 4.168 4.265 -0.097 1 1 44 . 3 1 1 A 10 10 GLU C C 10 176.430 175.854 0.576 1 1 45 . 3 1 1 A 10 10 GLU CA C 10 56.773 56.080 0.693 1 1 46 . 3 1 1 A 10 10 GLU CB C 10 30.405 30.279 0.126 1 1 48 . 3 1 1 A 10 10 GLU N N 10 120.140 122.566 -2.426 1 1 49 . 3 1 1 A 11 11 LYS H H 11 8.325 8.455 -0.130 1 1 50 . 3 1 1 A 11 11 LYS HA H 11 4.496 4.867 -0.371 1 1 59 . 3 1 1 A 11 11 LYS C C 11 174.166 175.768 -1.602 1 1 60 . 3 1 1 A 11 11 LYS CA C 11 53.920 52.890 1.030 1 1 61 . 3 1 1 A 11 11 LYS CB C 11 33.107 34.867 -1.760 1 1 65 . 3 1 1 A 11 11 LYS N N 11 122.011 119.887 2.124 1 1 66 . 3 1 1 A 12 12 PRO HA H 12 4.242 4.272 -0.030 1 1 73 . 3 1 1 A 12 12 PRO C C 12 176.359 176.231 0.128 1 1 74 . 3 1 1 A 12 12 PRO CA C 12 63.623 64.813 -1.190 1 1 75 . 3 1 1 A 12 12 PRO CB C 12 32.138 31.645 0.493 1 1 78 . 3 1 1 A 13 13 PHE H H 13 7.984 7.901 0.083 1 1 79 . 3 1 1 A 13 13 PHE HA H 13 4.695 5.001 -0.306 1 1 87 . 3 1 1 A 13 13 PHE C C 13 174.248 174.994 -0.746 1 1 88 . 3 1 1 A 13 13 PHE CA C 13 56.993 57.449 -0.456 1 1 89 . 3 1 1 A 13 13 PHE CB C 13 39.591 41.489 -1.898 1 1 95 . 3 1 1 A 13 13 PHE N N 13 118.237 117.927 0.310 1 1 96 . 3 1 1 A 14 14 GLN H H 14 8.591 8.803 -0.212 1 1 97 . 3 1 1 A 14 14 GLN HA H 14 5.175 4.873 0.302 1 1 104 . 3 1 1 A 14 14 GLN C C 14 174.744 174.079 0.665 1 1 105 . 3 1 1 A 14 14 GLN CA C 14 54.668 55.217 -0.549 1 1 106 . 3 1 1 A 14 14 GLN CB C 14 32.675 33.408 -0.733 1 1 108 . 3 1 1 A 14 14 GLN N N 14 123.552 120.417 3.135 1 1 110 . 3 1 1 A 15 15 CYS H H 15 9.221 9.208 0.013 1 1 111 . 3 1 1 A 15 15 CYS HA H 15 4.576 4.675 -0.099 1 1 114 . 3 1 1 A 15 15 CYS C C 15 177.443 175.699 1.744 1 1 115 . 3 1 1 A 15 15 CYS CA C 15 59.565 58.417 1.148 1 1 116 . 3 1 1 A 15 15 CYS CB C 15 29.940 29.066 0.874 1 1 117 . 3 1 1 A 15 15 CYS N N 15 128.096 123.271 4.825 1 1 118 . 3 1 1 A 16 16 LYS H H 16 9.439 9.042 0.397 1 1 119 . 3 1 1 A 16 16 LYS HA H 16 4.204 4.362 -0.158 1 1 128 . 3 1 1 A 16 16 LYS C C 16 176.882 176.804 0.078 1 1 129 . 3 1 1 A 16 16 LYS CA C 16 58.170 57.449 0.721 1 1 130 . 3 1 1 A 16 16 LYS CB C 16 32.153 32.057 0.096 1 1 134 . 3 1 1 A 16 16 LYS N N 16 132.264 128.560 3.704 1 1 135 . 3 1 1 A 17 17 GLU H H 17 8.836 7.935 0.901 1 1 136 . 3 1 1 A 17 17 GLU HA H 17 4.201 4.273 -0.072 1 1 141 . 3 1 1 A 17 17 GLU C C 17 177.524 178.068 -0.544 1 1 142 . 3 1 1 A 17 17 GLU CA C 17 58.138 57.829 0.309 1 1 143 . 3 1 1 A 17 17 GLU CB C 17 29.276 30.148 -0.872 1 1 145 . 3 1 1 A 17 17 GLU N N 17 120.919 117.079 3.840 1 1 146 . 3 1 1 A 18 18 CYS H H 18 8.312 8.021 0.291 1 1 147 . 3 1 1 A 18 18 CYS HA H 18 5.162 4.682 0.480 1 1 150 . 3 1 1 A 18 18 CYS C C 18 176.325 175.846 0.479 1 1 151 . 3 1 1 A 18 18 CYS CA C 18 58.284 59.054 -0.770 1 1 152 . 3 1 1 A 18 18 CYS CB C 18 32.594 30.665 1.929 1 1 153 . 3 1 1 A 18 18 CYS N N 18 115.693 114.198 1.495 1 1 154 . 3 1 1 A 19 19 GLY H H 19 8.106 8.153 -0.047 1 1 155 . 3 1 1 A 19 19 GLY HA2 H 19 4.219 3.973 0.246 1 1 156 . 3 1 1 A 19 19 GLY HA3 H 19 3.757 3.980 -0.223 1 1 157 . 3 1 1 A 19 19 GLY C C 19 173.852 174.672 -0.820 1 1 158 . 3 1 1 A 19 19 GLY CA C 19 46.048 45.037 1.011 1 1 159 . 3 1 1 A 19 19 GLY N N 19 113.172 109.916 3.256 1 1 160 . 3 1 1 A 20 20 MET H H 20 7.952 7.671 0.281 1 1 161 . 3 1 1 A 20 20 MET HA H 20 3.997 4.283 -0.286 1 1 169 . 3 1 1 A 20 20 MET C C 20 173.729 176.336 -2.607 1 1 170 . 3 1 1 A 20 20 MET CA C 20 57.756 56.196 1.560 1 1 171 . 3 1 1 A 20 20 MET CB C 20 33.879 33.006 0.873 1 1 174 . 3 1 1 A 20 20 MET N N 20 122.129 121.339 0.790 1 1 175 . 3 1 1 A 21 21 ASN H H 21 7.960 8.519 -0.559 1 1 176 . 3 1 1 A 21 21 ASN HA H 21 5.375 5.558 -0.183 1 1 181 . 3 1 1 A 21 21 ASN C C 21 173.981 174.184 -0.203 1 1 182 . 3 1 1 A 21 21 ASN CA C 21 52.027 51.813 0.214 1 1 183 . 3 1 1 A 21 21 ASN CB C 21 41.679 40.247 1.432 1 1 184 . 3 1 1 A 21 21 ASN N N 21 119.653 121.951 -2.298 1 1 186 . 3 1 1 A 22 22 PHE H H 22 8.724 8.493 0.231 1 1 187 . 3 1 1 A 22 22 PHE HA H 22 4.722 4.949 -0.227 1 1 195 . 3 1 1 A 22 22 PHE C C 22 175.430 175.653 -0.223 1 1 196 . 3 1 1 A 22 22 PHE CA C 22 57.156 57.142 0.014 1 1 197 . 3 1 1 A 22 22 PHE CB C 22 43.843 42.950 0.893 1 1 203 . 3 1 1 A 22 22 PHE N N 22 116.386 119.216 -2.830 1 1 204 . 3 1 1 A 23 23 SER HA H 23 4.470 4.417 0.053 1 1 207 . 3 1 1 A 23 23 SER CA C 23 60.762 61.520 -0.758 1 1 208 . 3 1 1 A 23 23 SER CB C 23 63.389 62.712 0.677 1 1 209 . 3 1 1 A 24 24 TRP H H 24 7.303 7.621 -0.318 1 1 210 . 3 1 1 A 24 24 TRP HA H 24 5.114 4.667 0.447 1 1 219 . 3 1 1 A 24 24 TRP CA C 24 54.989 57.544 -2.555 1 1 220 . 3 1 1 A 24 24 TRP CB C 24 32.901 30.472 2.429 1 1 226 . 3 1 1 A 24 24 TRP N N 24 116.709 121.044 -4.335 1 1 228 . 3 1 1 A 25 25 SER HA H 25 2.990 2.938 0.052 1 1 231 . 3 1 1 A 25 25 SER CA C 25 61.025 59.128 1.897 1 1 232 . 3 1 1 A 25 25 SER CB C 25 61.769 63.735 -1.966 1 1 233 . 3 1 1 A 26 26 CYS HA H 26 4.272 4.161 0.111 1 1 236 . 3 1 1 A 26 26 CYS CA C 26 60.467 62.038 -1.571 1 1 237 . 3 1 1 A 26 26 CYS CB C 26 26.503 27.279 -0.776 1 1 238 . 3 1 1 A 26 26 CYS N N 26 116.694 119.554 -2.860 1 1 239 . 3 1 1 A 27 27 SER HA H 27 4.265 4.079 0.186 1 1 242 . 3 1 1 A 27 27 SER C C 27 176.277 176.125 0.152 1 1 243 . 3 1 1 A 27 27 SER CA C 27 60.808 62.146 -1.338 1 1 244 . 3 1 1 A 27 27 SER CB C 27 62.592 62.554 0.038 1 1 245 . 3 1 1 A 27 27 SER N N 27 115.000 117.093 -2.093 1 1 246 . 3 1 1 A 28 28 LEU H H 28 6.993 7.940 -0.947 1 1 247 . 3 1 1 A 28 28 LEU HA H 28 3.081 2.550 0.531 1 1 257 . 3 1 1 A 28 28 LEU C C 28 177.247 178.697 -1.450 1 1 258 . 3 1 1 A 28 28 LEU CA C 28 57.825 57.778 0.047 1 1 259 . 3 1 1 A 28 28 LEU CB C 28 40.078 41.304 -1.226 1 1 263 . 3 1 1 A 28 28 LEU N N 28 124.148 122.325 1.823 1 1 264 . 3 1 1 A 29 29 PHE H H 29 8.208 8.260 -0.052 1 1 265 . 3 1 1 A 29 29 PHE HA H 29 4.178 3.915 0.263 1 1 273 . 3 1 1 A 29 29 PHE C C 29 178.527 177.716 0.811 1 1 274 . 3 1 1 A 29 29 PHE CA C 29 61.303 61.912 -0.609 1 1 275 . 3 1 1 A 29 29 PHE CB C 29 37.971 39.180 -1.209 1 1 281 . 3 1 1 A 29 29 PHE N N 29 118.075 119.326 -1.251 1 1 282 . 3 1 1 A 30 30 LYS H H 30 7.660 7.874 -0.214 1 1 283 . 3 1 1 A 30 30 LYS HA H 30 3.959 4.118 -0.159 1 1 292 . 3 1 1 A 30 30 LYS C C 30 179.126 178.744 0.382 1 1 293 . 3 1 1 A 30 30 LYS CA C 30 59.586 59.531 0.055 1 1 294 . 3 1 1 A 30 30 LYS CB C 30 32.503 32.054 0.449 1 1 298 . 3 1 1 A 30 30 LYS N N 30 118.194 117.983 0.211 1 1 299 . 3 1 1 A 31 31 HIS H H 31 7.637 8.297 -0.660 1 1 300 . 3 1 1 A 31 31 HIS HA H 31 4.205 4.239 -0.034 1 1 305 . 3 1 1 A 31 31 HIS C C 31 177.985 176.991 0.994 1 1 306 . 3 1 1 A 31 31 HIS CA C 31 59.463 59.099 0.364 1 1 307 . 3 1 1 A 31 31 HIS CB C 31 28.534 30.032 -1.498 1 1 310 . 3 1 1 A 31 31 HIS N N 31 119.604 119.736 -0.132 1 1 311 . 3 1 1 A 32 32 LEU H H 32 8.690 8.618 0.072 1 1 312 . 3 1 1 A 32 32 LEU HA H 32 3.861 3.992 -0.131 1 1 322 . 3 1 1 A 32 32 LEU C C 32 179.506 179.248 0.258 1 1 323 . 3 1 1 A 32 32 LEU CA C 32 58.447 58.002 0.445 1 1 324 . 3 1 1 A 32 32 LEU CB C 32 41.560 41.124 0.436 1 1 328 . 3 1 1 A 32 32 LEU N N 32 121.283 119.342 1.941 1 1 329 . 3 1 1 A 33 33 ARG H H 33 7.178 8.137 -0.959 1 1 330 . 3 1 1 A 33 33 ARG HA H 33 4.071 4.015 0.056 1 1 337 . 3 1 1 A 33 33 ARG C C 33 178.314 178.168 0.146 1 1 338 . 3 1 1 A 33 33 ARG CA C 33 58.320 58.532 -0.212 1 1 339 . 3 1 1 A 33 33 ARG CB C 33 29.531 29.593 -0.062 1 1 342 . 3 1 1 A 33 33 ARG N N 33 117.400 118.039 -0.639 1 1 343 . 3 1 1 A 34 34 SER H H 34 7.837 7.971 -0.134 1 1 344 . 3 1 1 A 34 34 SER HA H 34 4.196 4.165 0.031 1 1 347 . 3 1 1 A 34 34 SER C C 34 174.873 175.102 -0.229 1 1 348 . 3 1 1 A 34 34 SER CA C 34 60.482 60.275 0.207 1 1 349 . 3 1 1 A 34 34 SER CB C 34 63.140 62.280 0.860 1 1 350 . 3 1 1 A 34 34 SER N N 34 114.440 114.895 -0.455 1 1 351 . 3 1 1 A 35 35 HIS H H 35 7.204 8.099 -0.895 1 1 352 . 3 1 1 A 35 35 HIS HA H 35 4.773 4.749 0.024 1 1 357 . 3 1 1 A 35 35 HIS C C 35 174.959 177.275 -2.316 1 1 358 . 3 1 1 A 35 35 HIS CA C 35 55.192 57.526 -2.334 1 1 359 . 3 1 1 A 35 35 HIS CB C 35 29.005 31.249 -2.244 1 1 362 . 3 1 1 A 35 35 HIS N N 35 118.479 117.168 1.311 1 1 363 . 3 1 1 A 36 36 GLU H H 36 7.583 8.189 -0.606 1 1 364 . 3 1 1 A 36 36 GLU HA H 36 4.256 3.919 0.337 1 1 369 . 3 1 1 A 36 36 GLU C C 36 176.328 178.317 -1.989 1 1 370 . 3 1 1 A 36 36 GLU CA C 36 56.841 58.876 -2.035 1 1 371 . 3 1 1 A 36 36 GLU CB C 36 30.329 28.207 2.122 1 1 373 . 3 1 1 A 36 36 GLU N N 36 120.262 117.618 2.644 1 1 374 . 3 1 1 A 37 37 ARG H H 37 8.387 7.840 0.547 1 1 375 . 3 1 1 A 37 37 ARG HA H 37 4.453 4.249 0.204 1 1 382 . 3 1 1 A 37 37 ARG C C 37 176.254 175.450 0.804 1 1 383 . 3 1 1 A 37 37 ARG CA C 37 55.900 57.793 -1.893 1 1 384 . 3 1 1 A 37 37 ARG CB C 37 30.906 31.340 -0.434 1 1 387 . 3 1 1 A 37 37 ARG N N 37 122.086 120.309 1.777 1 1 388 . 3 1 1 A 38 38 THR H H 38 8.275 7.787 0.488 1 1 389 . 3 1 1 A 38 38 THR HA H 38 4.328 4.941 -0.613 1 1 394 . 3 1 1 A 38 38 THR C C 38 174.006 173.293 0.713 1 1 395 . 3 1 1 A 38 38 THR CA C 38 61.731 61.249 0.482 1 1 396 . 3 1 1 A 38 38 THR CB C 38 69.937 71.391 -1.454 1 1 398 . 3 1 1 A 38 38 THR N N 38 115.922 112.188 3.734 1 1 399 . 3 1 1 A 39 39 ASP H H 39 8.437 8.705 -0.268 1 1 400 . 3 1 1 A 39 39 ASP HA H 39 4.900 5.087 -0.187 1 1 403 . 3 1 1 A 39 39 ASP C C 39 174.780 173.824 0.956 1 1 404 . 3 1 1 A 39 39 ASP CA C 39 52.198 50.639 1.559 1 1 405 . 3 1 1 A 39 39 ASP CB C 39 41.197 42.241 -1.044 1 1 406 . 3 1 1 A 39 39 ASP N N 39 124.343 122.973 1.370 1 1 407 . 3 1 1 A 40 40 PRO HA H 40 4.467 4.490 -0.023 1 1 414 . 3 1 1 A 40 40 PRO CA C 40 63.632 62.845 0.787 1 1 415 . 3 1 1 A 40 40 PRO CB C 40 32.113 32.601 -0.488 1 1 418 . 3 1 1 A 41 41 SER H H 41 8.481 8.457 0.024 1 1 419 . 3 1 1 A 41 41 SER HA H 41 4.463 4.686 -0.223 1 1 422 . 3 1 1 A 41 41 SER CA C 41 58.677 58.214 0.463 1 1 423 . 3 1 1 A 41 41 SER CB C 41 63.874 63.522 0.352 1 1 424 . 3 1 1 A 41 41 SER N N 41 115.801 117.747 -1.946 1 1 425 . 3 1 1 A 42 42 GLY H H 42 8.086 8.611 -0.525 1 1 426 . 3 1 1 A 42 42 GLY HA2 H 42 4.173 4.283 -0.110 1 1 427 . 3 1 1 A 42 42 GLY HA3 H 42 4.065 4.283 -0.218 1 1 428 . 3 1 1 A 42 42 GLY CA C 42 44.752 43.969 0.783 1 1 429 . 3 1 1 A 42 42 GLY N N 42 110.426 114.057 -3.631 1 1 430 . 3 1 1 A 43 43 PRO HA H 43 4.488 4.657 -0.169 1 1 437 . 3 1 1 A 43 43 PRO CA C 43 63.241 62.800 0.441 1 1 438 . 3 1 1 A 43 43 PRO CB C 43 32.157 31.666 0.491 1 1 1 . 4 1 1 A 4 4 GLY HA2 H 4 4.452 3.815 0.637 1 1 2 . 4 1 1 A 4 4 GLY HA3 H 4 4.452 3.815 0.637 1 1 3 . 4 1 1 A 4 4 GLY C C 4 177.372 174.630 2.742 1 1 4 . 4 1 1 A 5 5 SER H H 5 8.514 8.020 0.494 1 1 5 . 4 1 1 A 5 5 SER HA H 5 4.517 4.405 0.112 1 1 8 . 4 1 1 A 5 5 SER C C 5 174.470 174.160 0.310 1 1 9 . 4 1 1 A 5 5 SER CA C 5 58.246 58.829 -0.583 1 1 10 . 4 1 1 A 5 5 SER CB C 5 63.845 64.095 -0.250 1 1 11 . 4 1 1 A 5 5 SER N N 5 116.459 117.012 -0.553 1 1 12 . 4 1 1 A 6 6 SER C C 6 173.892 174.361 -0.469 1 1 13 . 4 1 1 A 6 6 SER CA C 6 58.410 56.493 1.917 1 1 14 . 4 1 1 A 6 6 SER CB C 6 64.048 64.920 -0.872 1 1 15 . 4 1 1 A 6 6 SER N N 6 118.058 120.544 -2.486 1 1 16 . 4 1 1 A 7 7 GLY HA2 H 7 4.032 4.209 -0.177 1 1 17 . 4 1 1 A 7 7 GLY HA3 H 7 4.032 4.215 -0.183 1 1 18 . 4 1 1 A 7 7 GLY C C 7 174.503 173.781 0.722 1 1 19 . 4 1 1 A 7 7 GLY CA C 7 45.426 44.802 0.624 1 1 20 . 4 1 1 A 7 7 GLY N N 7 117.426 109.568 7.858 1 1 21 . 4 1 1 A 8 8 THR H H 8 8.134 8.614 -0.480 1 1 22 . 4 1 1 A 8 8 THR HA H 8 4.361 4.050 0.311 1 1 27 . 4 1 1 A 8 8 THR C C 8 175.191 175.075 0.116 1 1 28 . 4 1 1 A 8 8 THR CA C 8 61.847 63.443 -1.596 1 1 29 . 4 1 1 A 8 8 THR CB C 8 69.840 68.697 1.143 1 1 31 . 4 1 1 A 8 8 THR N N 8 112.760 120.001 -7.241 1 1 32 . 4 1 1 A 9 9 GLY H H 9 8.413 8.702 -0.289 1 1 33 . 4 1 1 A 9 9 GLY HA2 H 9 3.947 3.861 0.086 1 1 34 . 4 1 1 A 9 9 GLY HA3 H 9 3.900 3.866 0.034 1 1 35 . 4 1 1 A 9 9 GLY C C 9 174.023 173.159 0.864 1 1 36 . 4 1 1 A 9 9 GLY CA C 9 45.259 46.593 -1.334 1 1 37 . 4 1 1 A 9 9 GLY N N 9 110.903 116.064 -5.161 1 1 38 . 4 1 1 A 10 10 GLU H H 10 8.200 8.431 -0.231 1 1 39 . 4 1 1 A 10 10 GLU HA H 10 4.168 5.045 -0.877 1 1 44 . 4 1 1 A 10 10 GLU C C 10 176.430 174.393 2.037 1 1 45 . 4 1 1 A 10 10 GLU CA C 10 56.773 54.398 2.375 1 1 46 . 4 1 1 A 10 10 GLU CB C 10 30.405 33.577 -3.172 1 1 48 . 4 1 1 A 10 10 GLU N N 10 120.140 122.505 -2.365 1 1 49 . 4 1 1 A 11 11 LYS H H 11 8.325 8.584 -0.259 1 1 50 . 4 1 1 A 11 11 LYS HA H 11 4.496 4.759 -0.263 1 1 59 . 4 1 1 A 11 11 LYS C C 11 174.166 176.053 -1.887 1 1 60 . 4 1 1 A 11 11 LYS CA C 11 53.920 52.383 1.537 1 1 61 . 4 1 1 A 11 11 LYS CB C 11 33.107 33.778 -0.671 1 1 65 . 4 1 1 A 11 11 LYS N N 11 122.011 123.830 -1.819 1 1 66 . 4 1 1 A 12 12 PRO HA H 12 4.242 4.257 -0.015 1 1 73 . 4 1 1 A 12 12 PRO C C 12 176.359 176.201 0.158 1 1 74 . 4 1 1 A 12 12 PRO CA C 12 63.623 64.730 -1.107 1 1 75 . 4 1 1 A 12 12 PRO CB C 12 32.138 31.765 0.373 1 1 78 . 4 1 1 A 13 13 PHE H H 13 7.984 7.884 0.100 1 1 79 . 4 1 1 A 13 13 PHE HA H 13 4.695 5.084 -0.389 1 1 87 . 4 1 1 A 13 13 PHE C C 13 174.248 174.591 -0.343 1 1 88 . 4 1 1 A 13 13 PHE CA C 13 56.993 57.219 -0.226 1 1 89 . 4 1 1 A 13 13 PHE CB C 13 39.591 41.639 -2.048 1 1 95 . 4 1 1 A 13 13 PHE N N 13 118.237 117.933 0.304 1 1 96 . 4 1 1 A 14 14 GLN H H 14 8.591 8.787 -0.196 1 1 97 . 4 1 1 A 14 14 GLN HA H 14 5.175 4.911 0.264 1 1 104 . 4 1 1 A 14 14 GLN C C 14 174.744 174.076 0.668 1 1 105 . 4 1 1 A 14 14 GLN CA C 14 54.668 55.053 -0.385 1 1 106 . 4 1 1 A 14 14 GLN CB C 14 32.675 33.269 -0.594 1 1 108 . 4 1 1 A 14 14 GLN N N 14 123.552 120.501 3.051 1 1 110 . 4 1 1 A 15 15 CYS H H 15 9.221 9.367 -0.146 1 1 111 . 4 1 1 A 15 15 CYS HA H 15 4.576 4.576 0.000 1 1 114 . 4 1 1 A 15 15 CYS C C 15 177.443 175.414 2.029 1 1 115 . 4 1 1 A 15 15 CYS CA C 15 59.565 59.139 0.426 1 1 116 . 4 1 1 A 15 15 CYS CB C 15 29.940 28.574 1.366 1 1 117 . 4 1 1 A 15 15 CYS N N 15 128.096 123.577 4.519 1 1 118 . 4 1 1 A 16 16 LYS H H 16 9.439 9.123 0.316 1 1 119 . 4 1 1 A 16 16 LYS HA H 16 4.204 4.462 -0.258 1 1 128 . 4 1 1 A 16 16 LYS C C 16 176.882 176.956 -0.074 1 1 129 . 4 1 1 A 16 16 LYS CA C 16 58.170 56.655 1.515 1 1 130 . 4 1 1 A 16 16 LYS CB C 16 32.153 32.419 -0.266 1 1 134 . 4 1 1 A 16 16 LYS N N 16 132.264 127.994 4.270 1 1 135 . 4 1 1 A 17 17 GLU H H 17 8.836 7.553 1.283 1 1 136 . 4 1 1 A 17 17 GLU HA H 17 4.201 4.261 -0.060 1 1 141 . 4 1 1 A 17 17 GLU C C 17 177.524 178.135 -0.611 1 1 142 . 4 1 1 A 17 17 GLU CA C 17 58.138 58.154 -0.016 1 1 143 . 4 1 1 A 17 17 GLU CB C 17 29.276 30.038 -0.762 1 1 145 . 4 1 1 A 17 17 GLU N N 17 120.919 117.383 3.536 1 1 146 . 4 1 1 A 18 18 CYS H H 18 8.312 8.011 0.301 1 1 147 . 4 1 1 A 18 18 CYS HA H 18 5.162 4.705 0.457 1 1 150 . 4 1 1 A 18 18 CYS C C 18 176.325 175.830 0.495 1 1 151 . 4 1 1 A 18 18 CYS CA C 18 58.284 59.093 -0.809 1 1 152 . 4 1 1 A 18 18 CYS CB C 18 32.594 30.579 2.015 1 1 153 . 4 1 1 A 18 18 CYS N N 18 115.693 114.200 1.493 1 1 154 . 4 1 1 A 19 19 GLY H H 19 8.106 8.062 0.044 1 1 155 . 4 1 1 A 19 19 GLY HA2 H 19 4.219 4.037 0.182 1 1 156 . 4 1 1 A 19 19 GLY HA3 H 19 3.757 4.043 -0.286 1 1 157 . 4 1 1 A 19 19 GLY C C 19 173.852 174.551 -0.699 1 1 158 . 4 1 1 A 19 19 GLY CA C 19 46.048 45.093 0.955 1 1 159 . 4 1 1 A 19 19 GLY N N 19 113.172 109.829 3.343 1 1 160 . 4 1 1 A 20 20 MET H H 20 7.952 7.721 0.231 1 1 161 . 4 1 1 A 20 20 MET HA H 20 3.997 4.327 -0.330 1 1 169 . 4 1 1 A 20 20 MET C C 20 173.729 176.291 -2.562 1 1 170 . 4 1 1 A 20 20 MET CA C 20 57.756 56.269 1.487 1 1 171 . 4 1 1 A 20 20 MET CB C 20 33.879 33.186 0.693 1 1 174 . 4 1 1 A 20 20 MET N N 20 122.129 121.313 0.816 1 1 175 . 4 1 1 A 21 21 ASN H H 21 7.960 8.521 -0.561 1 1 176 . 4 1 1 A 21 21 ASN HA H 21 5.375 5.658 -0.283 1 1 181 . 4 1 1 A 21 21 ASN C C 21 173.981 174.129 -0.148 1 1 182 . 4 1 1 A 21 21 ASN CA C 21 52.027 51.571 0.456 1 1 183 . 4 1 1 A 21 21 ASN CB C 21 41.679 40.680 0.999 1 1 184 . 4 1 1 A 21 21 ASN N N 21 119.653 121.636 -1.983 1 1 186 . 4 1 1 A 22 22 PHE H H 22 8.724 8.565 0.159 1 1 187 . 4 1 1 A 22 22 PHE HA H 22 4.722 4.952 -0.230 1 1 195 . 4 1 1 A 22 22 PHE C C 22 175.430 175.467 -0.037 1 1 196 . 4 1 1 A 22 22 PHE CA C 22 57.156 57.023 0.133 1 1 197 . 4 1 1 A 22 22 PHE CB C 22 43.843 43.500 0.343 1 1 203 . 4 1 1 A 22 22 PHE N N 22 116.386 118.530 -2.144 1 1 204 . 4 1 1 A 23 23 SER HA H 23 4.470 4.615 -0.145 1 1 207 . 4 1 1 A 23 23 SER CA C 23 60.762 57.940 2.822 1 1 208 . 4 1 1 A 23 23 SER CB C 23 63.389 62.951 0.438 1 1 209 . 4 1 1 A 24 24 TRP H H 24 7.303 7.710 -0.407 1 1 210 . 4 1 1 A 24 24 TRP HA H 24 5.114 5.136 -0.022 1 1 219 . 4 1 1 A 24 24 TRP CA C 24 54.989 56.014 -1.025 1 1 220 . 4 1 1 A 24 24 TRP CB C 24 32.901 33.820 -0.919 1 1 226 . 4 1 1 A 24 24 TRP N N 24 116.709 121.779 -5.070 1 1 228 . 4 1 1 A 25 25 SER HA H 25 2.990 2.986 0.004 1 1 231 . 4 1 1 A 25 25 SER CA C 25 61.025 60.270 0.755 1 1 232 . 4 1 1 A 25 25 SER CB C 25 61.769 62.789 -1.020 1 1 233 . 4 1 1 A 26 26 CYS HA H 26 4.272 4.146 0.126 1 1 236 . 4 1 1 A 26 26 CYS CA C 26 60.467 61.928 -1.461 1 1 237 . 4 1 1 A 26 26 CYS CB C 26 26.503 27.322 -0.819 1 1 238 . 4 1 1 A 26 26 CYS N N 26 116.694 119.624 -2.930 1 1 239 . 4 1 1 A 27 27 SER HA H 27 4.265 4.106 0.159 1 1 242 . 4 1 1 A 27 27 SER C C 27 176.277 176.120 0.157 1 1 243 . 4 1 1 A 27 27 SER CA C 27 60.808 62.453 -1.645 1 1 244 . 4 1 1 A 27 27 SER CB C 27 62.592 62.755 -0.163 1 1 245 . 4 1 1 A 27 27 SER N N 27 115.000 117.153 -2.153 1 1 246 . 4 1 1 A 28 28 LEU H H 28 6.993 7.920 -0.927 1 1 247 . 4 1 1 A 28 28 LEU HA H 28 3.081 2.199 0.882 1 1 257 . 4 1 1 A 28 28 LEU C C 28 177.247 178.679 -1.432 1 1 258 . 4 1 1 A 28 28 LEU CA C 28 57.825 57.678 0.147 1 1 259 . 4 1 1 A 28 28 LEU CB C 28 40.078 41.318 -1.240 1 1 263 . 4 1 1 A 28 28 LEU N N 28 124.148 122.186 1.962 1 1 264 . 4 1 1 A 29 29 PHE H H 29 8.208 8.247 -0.039 1 1 265 . 4 1 1 A 29 29 PHE HA H 29 4.178 3.926 0.252 1 1 273 . 4 1 1 A 29 29 PHE C C 29 178.527 177.828 0.699 1 1 274 . 4 1 1 A 29 29 PHE CA C 29 61.303 61.845 -0.542 1 1 275 . 4 1 1 A 29 29 PHE CB C 29 37.971 39.047 -1.076 1 1 281 . 4 1 1 A 29 29 PHE N N 29 118.075 119.412 -1.337 1 1 282 . 4 1 1 A 30 30 LYS H H 30 7.660 8.103 -0.443 1 1 283 . 4 1 1 A 30 30 LYS HA H 30 3.959 4.068 -0.109 1 1 292 . 4 1 1 A 30 30 LYS C C 30 179.126 178.496 0.630 1 1 293 . 4 1 1 A 30 30 LYS CA C 30 59.586 59.299 0.287 1 1 294 . 4 1 1 A 30 30 LYS CB C 30 32.503 32.080 0.423 1 1 298 . 4 1 1 A 30 30 LYS N N 30 118.194 118.642 -0.448 1 1 299 . 4 1 1 A 31 31 HIS H H 31 7.637 8.300 -0.663 1 1 300 . 4 1 1 A 31 31 HIS HA H 31 4.205 4.320 -0.115 1 1 305 . 4 1 1 A 31 31 HIS C C 31 177.985 176.910 1.075 1 1 306 . 4 1 1 A 31 31 HIS CA C 31 59.463 59.002 0.461 1 1 307 . 4 1 1 A 31 31 HIS CB C 31 28.534 30.136 -1.602 1 1 310 . 4 1 1 A 31 31 HIS N N 31 119.604 119.713 -0.109 1 1 311 . 4 1 1 A 32 32 LEU H H 32 8.690 8.619 0.071 1 1 312 . 4 1 1 A 32 32 LEU HA H 32 3.861 3.986 -0.125 1 1 322 . 4 1 1 A 32 32 LEU C C 32 179.506 178.996 0.510 1 1 323 . 4 1 1 A 32 32 LEU CA C 32 58.447 57.964 0.483 1 1 324 . 4 1 1 A 32 32 LEU CB C 32 41.560 41.394 0.166 1 1 328 . 4 1 1 A 32 32 LEU N N 32 121.283 119.472 1.811 1 1 329 . 4 1 1 A 33 33 ARG H H 33 7.178 7.928 -0.750 1 1 330 . 4 1 1 A 33 33 ARG HA H 33 4.071 4.094 -0.023 1 1 337 . 4 1 1 A 33 33 ARG C C 33 178.314 177.800 0.514 1 1 338 . 4 1 1 A 33 33 ARG CA C 33 58.320 58.488 -0.168 1 1 339 . 4 1 1 A 33 33 ARG CB C 33 29.531 29.913 -0.382 1 1 342 . 4 1 1 A 33 33 ARG N N 33 117.400 117.794 -0.394 1 1 343 . 4 1 1 A 34 34 SER H H 34 7.837 8.059 -0.222 1 1 344 . 4 1 1 A 34 34 SER HA H 34 4.196 4.088 0.108 1 1 347 . 4 1 1 A 34 34 SER C C 34 174.873 175.528 -0.655 1 1 348 . 4 1 1 A 34 34 SER CA C 34 60.482 61.131 -0.649 1 1 349 . 4 1 1 A 34 34 SER CB C 34 63.140 62.419 0.721 1 1 350 . 4 1 1 A 34 34 SER N N 34 114.440 114.192 0.248 1 1 351 . 4 1 1 A 35 35 HIS H H 35 7.204 7.840 -0.636 1 1 352 . 4 1 1 A 35 35 HIS HA H 35 4.773 4.436 0.337 1 1 357 . 4 1 1 A 35 35 HIS C C 35 174.959 177.736 -2.777 1 1 358 . 4 1 1 A 35 35 HIS CA C 35 55.192 58.183 -2.991 1 1 359 . 4 1 1 A 35 35 HIS CB C 35 29.005 30.929 -1.924 1 1 362 . 4 1 1 A 35 35 HIS N N 35 118.479 118.836 -0.357 1 1 363 . 4 1 1 A 36 36 GLU H H 36 7.583 8.832 -1.249 1 1 364 . 4 1 1 A 36 36 GLU HA H 36 4.256 4.032 0.224 1 1 369 . 4 1 1 A 36 36 GLU C C 36 176.328 175.888 0.440 1 1 370 . 4 1 1 A 36 36 GLU CA C 36 56.841 58.438 -1.597 1 1 371 . 4 1 1 A 36 36 GLU CB C 36 30.329 29.120 1.209 1 1 373 . 4 1 1 A 36 36 GLU N N 36 120.262 117.134 3.128 1 1 374 . 4 1 1 A 37 37 ARG H H 37 8.387 7.632 0.755 1 1 375 . 4 1 1 A 37 37 ARG HA H 37 4.453 4.890 -0.437 1 1 382 . 4 1 1 A 37 37 ARG C C 37 176.254 175.118 1.136 1 1 383 . 4 1 1 A 37 37 ARG CA C 37 55.900 55.203 0.697 1 1 384 . 4 1 1 A 37 37 ARG CB C 37 30.906 32.383 -1.477 1 1 387 . 4 1 1 A 37 37 ARG N N 37 122.086 120.780 1.306 1 1 388 . 4 1 1 A 38 38 THR H H 38 8.275 8.802 -0.527 1 1 389 . 4 1 1 A 38 38 THR HA H 38 4.328 4.738 -0.410 1 1 394 . 4 1 1 A 38 38 THR C C 38 174.006 172.732 1.274 1 1 395 . 4 1 1 A 38 38 THR CA C 38 61.731 61.389 0.342 1 1 396 . 4 1 1 A 38 38 THR CB C 38 69.937 71.597 -1.660 1 1 398 . 4 1 1 A 38 38 THR N N 38 115.922 120.327 -4.405 1 1 399 . 4 1 1 A 39 39 ASP H H 39 8.437 8.694 -0.257 1 1 400 . 4 1 1 A 39 39 ASP HA H 39 4.900 4.777 0.123 1 1 403 . 4 1 1 A 39 39 ASP C C 39 174.780 176.023 -1.243 1 1 404 . 4 1 1 A 39 39 ASP CA C 39 52.198 52.631 -0.433 1 1 405 . 4 1 1 A 39 39 ASP CB C 39 41.197 40.150 1.047 1 1 406 . 4 1 1 A 39 39 ASP N N 39 124.343 127.003 -2.660 1 1 407 . 4 1 1 A 40 40 PRO HA H 40 4.467 4.427 0.040 1 1 414 . 4 1 1 A 40 40 PRO CA C 40 63.632 63.908 -0.276 1 1 415 . 4 1 1 A 40 40 PRO CB C 40 32.113 31.635 0.478 1 1 418 . 4 1 1 A 41 41 SER H H 41 8.481 7.650 0.831 1 1 419 . 4 1 1 A 41 41 SER HA H 41 4.463 4.821 -0.358 1 1 422 . 4 1 1 A 41 41 SER CA C 41 58.677 56.583 2.094 1 1 423 . 4 1 1 A 41 41 SER CB C 41 63.874 66.131 -2.257 1 1 424 . 4 1 1 A 41 41 SER N N 41 115.801 113.270 2.531 1 1 425 . 4 1 1 A 42 42 GLY H H 42 8.086 8.309 -0.223 1 1 426 . 4 1 1 A 42 42 GLY HA2 H 42 4.173 4.159 0.014 1 1 427 . 4 1 1 A 42 42 GLY HA3 H 42 4.065 4.159 -0.094 1 1 428 . 4 1 1 A 42 42 GLY CA C 42 44.752 45.392 -0.640 1 1 429 . 4 1 1 A 42 42 GLY N N 42 110.426 110.289 0.137 1 1 430 . 4 1 1 A 43 43 PRO HA H 43 4.488 4.722 -0.234 1 1 437 . 4 1 1 A 43 43 PRO CA C 43 63.241 62.293 0.948 1 1 438 . 4 1 1 A 43 43 PRO CB C 43 32.157 29.566 2.591 1 1 1 . 5 1 1 A 4 4 GLY HA2 H 4 4.452 4.174 0.278 1 1 2 . 5 1 1 A 4 4 GLY HA3 H 4 4.452 4.175 0.277 1 1 3 . 5 1 1 A 4 4 GLY C C 4 177.372 171.850 5.522 1 1 4 . 5 1 1 A 5 5 SER H H 5 8.514 8.495 0.019 1 1 5 . 5 1 1 A 5 5 SER HA H 5 4.517 4.896 -0.379 1 1 8 . 5 1 1 A 5 5 SER C C 5 174.470 172.274 2.196 1 1 9 . 5 1 1 A 5 5 SER CA C 5 58.246 57.082 1.164 1 1 10 . 5 1 1 A 5 5 SER CB C 5 63.845 64.463 -0.618 1 1 11 . 5 1 1 A 5 5 SER N N 5 116.459 118.929 -2.470 1 1 12 . 5 1 1 A 6 6 SER C C 6 173.892 174.514 -0.622 1 1 13 . 5 1 1 A 6 6 SER CA C 6 58.410 57.306 1.104 1 1 14 . 5 1 1 A 6 6 SER CB C 6 64.048 63.538 0.510 1 1 15 . 5 1 1 A 6 6 SER N N 6 118.058 119.178 -1.120 1 1 16 . 5 1 1 A 7 7 GLY HA2 H 7 4.032 3.904 0.128 1 1 17 . 5 1 1 A 7 7 GLY HA3 H 7 4.032 3.905 0.127 1 1 18 . 5 1 1 A 7 7 GLY C C 7 174.503 174.860 -0.357 1 1 19 . 5 1 1 A 7 7 GLY CA C 7 45.426 45.403 0.023 1 1 20 . 5 1 1 A 7 7 GLY N N 7 117.426 116.948 0.478 1 1 21 . 5 1 1 A 8 8 THR H H 8 8.134 8.553 -0.419 1 1 22 . 5 1 1 A 8 8 THR HA H 8 4.361 4.179 0.182 1 1 27 . 5 1 1 A 8 8 THR C C 8 175.191 174.593 0.598 1 1 28 . 5 1 1 A 8 8 THR CA C 8 61.847 63.398 -1.551 1 1 29 . 5 1 1 A 8 8 THR CB C 8 69.840 70.011 -0.171 1 1 31 . 5 1 1 A 8 8 THR N N 8 112.760 117.145 -4.385 1 1 32 . 5 1 1 A 9 9 GLY H H 9 8.413 7.847 0.566 1 1 33 . 5 1 1 A 9 9 GLY HA2 H 9 3.947 4.019 -0.072 1 1 34 . 5 1 1 A 9 9 GLY HA3 H 9 3.900 4.022 -0.122 1 1 35 . 5 1 1 A 9 9 GLY C C 9 174.023 172.743 1.280 1 1 36 . 5 1 1 A 9 9 GLY CA C 9 45.259 44.680 0.579 1 1 37 . 5 1 1 A 9 9 GLY N N 9 110.903 108.842 2.061 1 1 38 . 5 1 1 A 10 10 GLU H H 10 8.200 8.579 -0.379 1 1 39 . 5 1 1 A 10 10 GLU HA H 10 4.168 4.854 -0.686 1 1 44 . 5 1 1 A 10 10 GLU C C 10 176.430 175.249 1.181 1 1 45 . 5 1 1 A 10 10 GLU CA C 10 56.773 55.649 1.124 1 1 46 . 5 1 1 A 10 10 GLU CB C 10 30.405 30.957 -0.552 1 1 48 . 5 1 1 A 10 10 GLU N N 10 120.140 120.843 -0.703 1 1 49 . 5 1 1 A 11 11 LYS H H 11 8.325 8.369 -0.044 1 1 50 . 5 1 1 A 11 11 LYS HA H 11 4.496 4.747 -0.251 1 1 59 . 5 1 1 A 11 11 LYS C C 11 174.166 175.979 -1.813 1 1 60 . 5 1 1 A 11 11 LYS CA C 11 53.920 52.967 0.953 1 1 61 . 5 1 1 A 11 11 LYS CB C 11 33.107 34.096 -0.989 1 1 65 . 5 1 1 A 11 11 LYS N N 11 122.011 126.319 -4.308 1 1 66 . 5 1 1 A 12 12 PRO HA H 12 4.242 4.280 -0.038 1 1 73 . 5 1 1 A 12 12 PRO C C 12 176.359 176.224 0.135 1 1 74 . 5 1 1 A 12 12 PRO CA C 12 63.623 64.913 -1.290 1 1 75 . 5 1 1 A 12 12 PRO CB C 12 32.138 31.653 0.485 1 1 78 . 5 1 1 A 13 13 PHE H H 13 7.984 7.895 0.089 1 1 79 . 5 1 1 A 13 13 PHE HA H 13 4.695 4.993 -0.298 1 1 87 . 5 1 1 A 13 13 PHE C C 13 174.248 174.760 -0.512 1 1 88 . 5 1 1 A 13 13 PHE CA C 13 56.993 57.379 -0.386 1 1 89 . 5 1 1 A 13 13 PHE CB C 13 39.591 41.691 -2.100 1 1 95 . 5 1 1 A 13 13 PHE N N 13 118.237 117.917 0.320 1 1 96 . 5 1 1 A 14 14 GLN H H 14 8.591 8.810 -0.219 1 1 97 . 5 1 1 A 14 14 GLN HA H 14 5.175 4.934 0.241 1 1 104 . 5 1 1 A 14 14 GLN C C 14 174.744 174.286 0.458 1 1 105 . 5 1 1 A 14 14 GLN CA C 14 54.668 54.866 -0.198 1 1 106 . 5 1 1 A 14 14 GLN CB C 14 32.675 33.100 -0.425 1 1 108 . 5 1 1 A 14 14 GLN N N 14 123.552 120.422 3.130 1 1 110 . 5 1 1 A 15 15 CYS H H 15 9.221 9.372 -0.151 1 1 111 . 5 1 1 A 15 15 CYS HA H 15 4.576 4.566 0.010 1 1 114 . 5 1 1 A 15 15 CYS C C 15 177.443 175.682 1.761 1 1 115 . 5 1 1 A 15 15 CYS CA C 15 59.565 59.117 0.448 1 1 116 . 5 1 1 A 15 15 CYS CB C 15 29.940 28.481 1.459 1 1 117 . 5 1 1 A 15 15 CYS N N 15 128.096 123.578 4.518 1 1 118 . 5 1 1 A 16 16 LYS H H 16 9.439 9.032 0.407 1 1 119 . 5 1 1 A 16 16 LYS HA H 16 4.204 4.332 -0.128 1 1 128 . 5 1 1 A 16 16 LYS C C 16 176.882 176.832 0.050 1 1 129 . 5 1 1 A 16 16 LYS CA C 16 58.170 57.642 0.528 1 1 130 . 5 1 1 A 16 16 LYS CB C 16 32.153 32.078 0.075 1 1 134 . 5 1 1 A 16 16 LYS N N 16 132.264 128.564 3.700 1 1 135 . 5 1 1 A 17 17 GLU H H 17 8.836 7.873 0.963 1 1 136 . 5 1 1 A 17 17 GLU HA H 17 4.201 4.268 -0.067 1 1 141 . 5 1 1 A 17 17 GLU C C 17 177.524 178.114 -0.590 1 1 142 . 5 1 1 A 17 17 GLU CA C 17 58.138 58.067 0.071 1 1 143 . 5 1 1 A 17 17 GLU CB C 17 29.276 30.187 -0.911 1 1 145 . 5 1 1 A 17 17 GLU N N 17 120.919 117.285 3.634 1 1 146 . 5 1 1 A 18 18 CYS H H 18 8.312 7.976 0.336 1 1 147 . 5 1 1 A 18 18 CYS HA H 18 5.162 4.664 0.498 1 1 150 . 5 1 1 A 18 18 CYS C C 18 176.325 175.790 0.535 1 1 151 . 5 1 1 A 18 18 CYS CA C 18 58.284 59.060 -0.776 1 1 152 . 5 1 1 A 18 18 CYS CB C 18 32.594 30.645 1.949 1 1 153 . 5 1 1 A 18 18 CYS N N 18 115.693 114.064 1.629 1 1 154 . 5 1 1 A 19 19 GLY H H 19 8.106 8.075 0.031 1 1 155 . 5 1 1 A 19 19 GLY HA2 H 19 4.219 4.023 0.196 1 1 156 . 5 1 1 A 19 19 GLY HA3 H 19 3.757 4.028 -0.271 1 1 157 . 5 1 1 A 19 19 GLY C C 19 173.852 174.622 -0.770 1 1 158 . 5 1 1 A 19 19 GLY CA C 19 46.048 45.086 0.962 1 1 159 . 5 1 1 A 19 19 GLY N N 19 113.172 109.810 3.362 1 1 160 . 5 1 1 A 20 20 MET H H 20 7.952 7.699 0.253 1 1 161 . 5 1 1 A 20 20 MET HA H 20 3.997 4.285 -0.288 1 1 169 . 5 1 1 A 20 20 MET C C 20 173.729 176.557 -2.828 1 1 170 . 5 1 1 A 20 20 MET CA C 20 57.756 56.212 1.544 1 1 171 . 5 1 1 A 20 20 MET CB C 20 33.879 33.206 0.673 1 1 174 . 5 1 1 A 20 20 MET N N 20 122.129 121.314 0.815 1 1 175 . 5 1 1 A 21 21 ASN H H 21 7.960 8.455 -0.495 1 1 176 . 5 1 1 A 21 21 ASN HA H 21 5.375 5.483 -0.108 1 1 181 . 5 1 1 A 21 21 ASN C C 21 173.981 174.040 -0.059 1 1 182 . 5 1 1 A 21 21 ASN CA C 21 52.027 51.875 0.152 1 1 183 . 5 1 1 A 21 21 ASN CB C 21 41.679 40.134 1.545 1 1 184 . 5 1 1 A 21 21 ASN N N 21 119.653 122.009 -2.356 1 1 186 . 5 1 1 A 22 22 PHE H H 22 8.724 8.591 0.133 1 1 187 . 5 1 1 A 22 22 PHE HA H 22 4.722 5.020 -0.298 1 1 195 . 5 1 1 A 22 22 PHE C C 22 175.430 175.837 -0.407 1 1 196 . 5 1 1 A 22 22 PHE CA C 22 57.156 56.745 0.411 1 1 197 . 5 1 1 A 22 22 PHE CB C 22 43.843 42.193 1.650 1 1 203 . 5 1 1 A 22 22 PHE N N 22 116.386 118.748 -2.362 1 1 204 . 5 1 1 A 23 23 SER HA H 23 4.470 4.190 0.280 1 1 207 . 5 1 1 A 23 23 SER CA C 23 60.762 61.432 -0.670 1 1 208 . 5 1 1 A 23 23 SER CB C 23 63.389 62.579 0.810 1 1 209 . 5 1 1 A 24 24 TRP H H 24 7.303 7.772 -0.469 1 1 210 . 5 1 1 A 24 24 TRP HA H 24 5.114 4.908 0.206 1 1 219 . 5 1 1 A 24 24 TRP CA C 24 54.989 57.512 -2.523 1 1 220 . 5 1 1 A 24 24 TRP CB C 24 32.901 30.886 2.015 1 1 226 . 5 1 1 A 24 24 TRP N N 24 116.709 119.856 -3.147 1 1 228 . 5 1 1 A 25 25 SER HA H 25 2.990 3.100 -0.110 1 1 231 . 5 1 1 A 25 25 SER CA C 25 61.025 59.170 1.855 1 1 232 . 5 1 1 A 25 25 SER CB C 25 61.769 63.311 -1.542 1 1 233 . 5 1 1 A 26 26 CYS HA H 26 4.272 4.068 0.204 1 1 236 . 5 1 1 A 26 26 CYS CA C 26 60.467 63.331 -2.864 1 1 237 . 5 1 1 A 26 26 CYS CB C 26 26.503 27.129 -0.626 1 1 238 . 5 1 1 A 26 26 CYS N N 26 116.694 120.148 -3.454 1 1 239 . 5 1 1 A 27 27 SER HA H 27 4.265 4.085 0.180 1 1 242 . 5 1 1 A 27 27 SER C C 27 176.277 176.727 -0.450 1 1 243 . 5 1 1 A 27 27 SER CA C 27 60.808 61.757 -0.949 1 1 244 . 5 1 1 A 27 27 SER CB C 27 62.592 63.353 -0.761 1 1 245 . 5 1 1 A 27 27 SER N N 27 115.000 115.785 -0.785 1 1 246 . 5 1 1 A 28 28 LEU H H 28 6.993 7.935 -0.942 1 1 247 . 5 1 1 A 28 28 LEU HA H 28 3.081 2.205 0.876 1 1 257 . 5 1 1 A 28 28 LEU C C 28 177.247 178.610 -1.363 1 1 258 . 5 1 1 A 28 28 LEU CA C 28 57.825 57.703 0.122 1 1 259 . 5 1 1 A 28 28 LEU CB C 28 40.078 41.337 -1.259 1 1 263 . 5 1 1 A 28 28 LEU N N 28 124.148 121.547 2.601 1 1 264 . 5 1 1 A 29 29 PHE H H 29 8.208 8.233 -0.025 1 1 265 . 5 1 1 A 29 29 PHE HA H 29 4.178 3.915 0.263 1 1 273 . 5 1 1 A 29 29 PHE C C 29 178.527 177.741 0.786 1 1 274 . 5 1 1 A 29 29 PHE CA C 29 61.303 61.881 -0.578 1 1 275 . 5 1 1 A 29 29 PHE CB C 29 37.971 39.109 -1.138 1 1 281 . 5 1 1 A 29 29 PHE N N 29 118.075 119.419 -1.344 1 1 282 . 5 1 1 A 30 30 LYS H H 30 7.660 7.946 -0.286 1 1 283 . 5 1 1 A 30 30 LYS HA H 30 3.959 4.114 -0.155 1 1 292 . 5 1 1 A 30 30 LYS C C 30 179.126 178.732 0.394 1 1 293 . 5 1 1 A 30 30 LYS CA C 30 59.586 59.400 0.186 1 1 294 . 5 1 1 A 30 30 LYS CB C 30 32.503 32.024 0.479 1 1 298 . 5 1 1 A 30 30 LYS N N 30 118.194 118.439 -0.245 1 1 299 . 5 1 1 A 31 31 HIS H H 31 7.637 8.331 -0.694 1 1 300 . 5 1 1 A 31 31 HIS HA H 31 4.205 4.253 -0.048 1 1 305 . 5 1 1 A 31 31 HIS C C 31 177.985 177.035 0.950 1 1 306 . 5 1 1 A 31 31 HIS CA C 31 59.463 59.100 0.363 1 1 307 . 5 1 1 A 31 31 HIS CB C 31 28.534 30.029 -1.495 1 1 310 . 5 1 1 A 31 31 HIS N N 31 119.604 119.724 -0.120 1 1 311 . 5 1 1 A 32 32 LEU H H 32 8.690 8.620 0.070 1 1 312 . 5 1 1 A 32 32 LEU HA H 32 3.861 4.006 -0.145 1 1 322 . 5 1 1 A 32 32 LEU C C 32 179.506 179.311 0.195 1 1 323 . 5 1 1 A 32 32 LEU CA C 32 58.447 58.026 0.421 1 1 324 . 5 1 1 A 32 32 LEU CB C 32 41.560 41.357 0.203 1 1 328 . 5 1 1 A 32 32 LEU N N 32 121.283 119.323 1.960 1 1 329 . 5 1 1 A 33 33 ARG H H 33 7.178 8.025 -0.847 1 1 330 . 5 1 1 A 33 33 ARG HA H 33 4.071 4.005 0.066 1 1 337 . 5 1 1 A 33 33 ARG C C 33 178.314 177.920 0.394 1 1 338 . 5 1 1 A 33 33 ARG CA C 33 58.320 58.523 -0.203 1 1 339 . 5 1 1 A 33 33 ARG CB C 33 29.531 29.721 -0.190 1 1 342 . 5 1 1 A 33 33 ARG N N 33 117.400 117.860 -0.460 1 1 343 . 5 1 1 A 34 34 SER H H 34 7.837 7.958 -0.121 1 1 344 . 5 1 1 A 34 34 SER HA H 34 4.196 4.104 0.092 1 1 347 . 5 1 1 A 34 34 SER C C 34 174.873 175.443 -0.570 1 1 348 . 5 1 1 A 34 34 SER CA C 34 60.482 61.010 -0.528 1 1 349 . 5 1 1 A 34 34 SER CB C 34 63.140 62.592 0.548 1 1 350 . 5 1 1 A 34 34 SER N N 34 114.440 116.533 -2.093 1 1 351 . 5 1 1 A 35 35 HIS H H 35 7.204 8.122 -0.918 1 1 352 . 5 1 1 A 35 35 HIS HA H 35 4.773 4.571 0.202 1 1 357 . 5 1 1 A 35 35 HIS C C 35 174.959 177.290 -2.331 1 1 358 . 5 1 1 A 35 35 HIS CA C 35 55.192 57.247 -2.055 1 1 359 . 5 1 1 A 35 35 HIS CB C 35 29.005 31.417 -2.412 1 1 362 . 5 1 1 A 35 35 HIS N N 35 118.479 117.495 0.984 1 1 363 . 5 1 1 A 36 36 GLU H H 36 7.583 7.880 -0.297 1 1 364 . 5 1 1 A 36 36 GLU HA H 36 4.256 4.073 0.183 1 1 369 . 5 1 1 A 36 36 GLU C C 36 176.328 176.492 -0.164 1 1 370 . 5 1 1 A 36 36 GLU CA C 36 56.841 58.345 -1.504 1 1 371 . 5 1 1 A 36 36 GLU CB C 36 30.329 28.662 1.667 1 1 373 . 5 1 1 A 36 36 GLU N N 36 120.262 116.708 3.554 1 1 374 . 5 1 1 A 37 37 ARG H H 37 8.387 7.398 0.989 1 1 375 . 5 1 1 A 37 37 ARG HA H 37 4.453 4.888 -0.435 1 1 382 . 5 1 1 A 37 37 ARG C C 37 176.254 175.141 1.113 1 1 383 . 5 1 1 A 37 37 ARG CA C 37 55.900 55.171 0.729 1 1 384 . 5 1 1 A 37 37 ARG CB C 37 30.906 32.431 -1.525 1 1 387 . 5 1 1 A 37 37 ARG N N 37 122.086 117.740 4.346 1 1 388 . 5 1 1 A 38 38 THR H H 38 8.275 8.691 -0.416 1 1 389 . 5 1 1 A 38 38 THR HA H 38 4.328 4.774 -0.446 1 1 394 . 5 1 1 A 38 38 THR C C 38 174.006 172.636 1.370 1 1 395 . 5 1 1 A 38 38 THR CA C 38 61.731 60.814 0.917 1 1 396 . 5 1 1 A 38 38 THR CB C 38 69.937 72.398 -2.461 1 1 398 . 5 1 1 A 38 38 THR N N 38 115.922 115.178 0.744 1 1 399 . 5 1 1 A 39 39 ASP H H 39 8.437 8.859 -0.422 1 1 400 . 5 1 1 A 39 39 ASP HA H 39 4.900 5.087 -0.187 1 1 403 . 5 1 1 A 39 39 ASP C C 39 174.780 175.718 -0.938 1 1 404 . 5 1 1 A 39 39 ASP CA C 39 52.198 51.280 0.918 1 1 405 . 5 1 1 A 39 39 ASP CB C 39 41.197 41.330 -0.133 1 1 406 . 5 1 1 A 39 39 ASP N N 39 124.343 125.704 -1.361 1 1 407 . 5 1 1 A 40 40 PRO HA H 40 4.467 4.520 -0.053 1 1 414 . 5 1 1 A 40 40 PRO CA C 40 63.632 63.840 -0.208 1 1 415 . 5 1 1 A 40 40 PRO CB C 40 32.113 31.873 0.240 1 1 418 . 5 1 1 A 41 41 SER H H 41 8.481 7.802 0.679 1 1 419 . 5 1 1 A 41 41 SER HA H 41 4.463 4.234 0.229 1 1 422 . 5 1 1 A 41 41 SER CA C 41 58.677 60.282 -1.605 1 1 423 . 5 1 1 A 41 41 SER CB C 41 63.874 62.411 1.463 1 1 424 . 5 1 1 A 41 41 SER N N 41 115.801 115.205 0.596 1 1 425 . 5 1 1 A 42 42 GLY H H 42 8.086 8.455 -0.369 1 1 426 . 5 1 1 A 42 42 GLY HA2 H 42 4.173 4.139 0.034 1 1 427 . 5 1 1 A 42 42 GLY HA3 H 42 4.065 4.140 -0.075 1 1 428 . 5 1 1 A 42 42 GLY CA C 42 44.752 44.699 0.053 1 1 429 . 5 1 1 A 42 42 GLY N N 42 110.426 113.571 -3.145 1 1 430 . 5 1 1 A 43 43 PRO HA H 43 4.488 4.692 -0.204 1 1 437 . 5 1 1 A 43 43 PRO CA C 43 63.241 62.708 0.533 1 1 438 . 5 1 1 A 43 43 PRO CB C 43 32.157 31.982 0.175 1 1 1 . 6 1 1 A 4 4 GLY HA2 H 4 4.452 4.038 0.414 1 1 2 . 6 1 1 A 4 4 GLY HA3 H 4 4.452 4.039 0.413 1 1 3 . 6 1 1 A 4 4 GLY C C 4 177.372 174.059 3.313 1 1 4 . 6 1 1 A 5 5 SER H H 5 8.514 8.511 0.003 1 1 5 . 6 1 1 A 5 5 SER HA H 5 4.517 4.632 -0.115 1 1 8 . 6 1 1 A 5 5 SER C C 5 174.470 173.374 1.096 1 1 9 . 6 1 1 A 5 5 SER CA C 5 58.246 59.026 -0.780 1 1 10 . 6 1 1 A 5 5 SER CB C 5 63.845 64.304 -0.459 1 1 11 . 6 1 1 A 5 5 SER N N 5 116.459 117.297 -0.838 1 1 12 . 6 1 1 A 6 6 SER C C 6 173.892 173.524 0.368 1 1 13 . 6 1 1 A 6 6 SER CA C 6 58.410 57.285 1.125 1 1 14 . 6 1 1 A 6 6 SER CB C 6 64.048 65.671 -1.623 1 1 15 . 6 1 1 A 6 6 SER N N 6 118.058 118.021 0.037 1 1 16 . 6 1 1 A 7 7 GLY HA2 H 7 4.032 3.918 0.114 1 1 17 . 6 1 1 A 7 7 GLY HA3 H 7 4.032 3.918 0.114 1 1 18 . 6 1 1 A 7 7 GLY C C 7 174.503 175.142 -0.639 1 1 19 . 6 1 1 A 7 7 GLY CA C 7 45.426 46.648 -1.222 1 1 20 . 6 1 1 A 7 7 GLY N N 7 117.426 112.831 4.595 1 1 21 . 6 1 1 A 8 8 THR H H 8 8.134 8.100 0.034 1 1 22 . 6 1 1 A 8 8 THR HA H 8 4.361 4.684 -0.323 1 1 27 . 6 1 1 A 8 8 THR C C 8 175.191 173.695 1.496 1 1 28 . 6 1 1 A 8 8 THR CA C 8 61.847 60.711 1.136 1 1 29 . 6 1 1 A 8 8 THR CB C 8 69.840 68.644 1.196 1 1 31 . 6 1 1 A 8 8 THR N N 8 112.760 115.094 -2.334 1 1 32 . 6 1 1 A 9 9 GLY H H 9 8.413 7.622 0.791 1 1 33 . 6 1 1 A 9 9 GLY HA2 H 9 3.947 4.175 -0.228 1 1 34 . 6 1 1 A 9 9 GLY HA3 H 9 3.900 4.178 -0.278 1 1 35 . 6 1 1 A 9 9 GLY C C 9 174.023 172.621 1.402 1 1 36 . 6 1 1 A 9 9 GLY CA C 9 45.259 45.005 0.254 1 1 37 . 6 1 1 A 9 9 GLY N N 9 110.903 110.664 0.239 1 1 38 . 6 1 1 A 10 10 GLU H H 10 8.200 8.441 -0.241 1 1 39 . 6 1 1 A 10 10 GLU HA H 10 4.168 4.313 -0.145 1 1 44 . 6 1 1 A 10 10 GLU C C 10 176.430 176.619 -0.189 1 1 45 . 6 1 1 A 10 10 GLU CA C 10 56.773 56.323 0.450 1 1 46 . 6 1 1 A 10 10 GLU CB C 10 30.405 30.147 0.258 1 1 48 . 6 1 1 A 10 10 GLU N N 10 120.140 120.397 -0.257 1 1 49 . 6 1 1 A 11 11 LYS H H 11 8.325 8.324 0.001 1 1 50 . 6 1 1 A 11 11 LYS HA H 11 4.496 4.846 -0.350 1 1 59 . 6 1 1 A 11 11 LYS C C 11 174.166 175.890 -1.724 1 1 60 . 6 1 1 A 11 11 LYS CA C 11 53.920 52.876 1.044 1 1 61 . 6 1 1 A 11 11 LYS CB C 11 33.107 34.766 -1.659 1 1 65 . 6 1 1 A 11 11 LYS N N 11 122.011 120.339 1.672 1 1 66 . 6 1 1 A 12 12 PRO HA H 12 4.242 4.252 -0.010 1 1 73 . 6 1 1 A 12 12 PRO C C 12 176.359 176.181 0.178 1 1 74 . 6 1 1 A 12 12 PRO CA C 12 63.623 64.722 -1.099 1 1 75 . 6 1 1 A 12 12 PRO CB C 12 32.138 31.642 0.496 1 1 78 . 6 1 1 A 13 13 PHE H H 13 7.984 7.801 0.183 1 1 79 . 6 1 1 A 13 13 PHE HA H 13 4.695 5.094 -0.399 1 1 87 . 6 1 1 A 13 13 PHE C C 13 174.248 174.718 -0.470 1 1 88 . 6 1 1 A 13 13 PHE CA C 13 56.993 57.231 -0.238 1 1 89 . 6 1 1 A 13 13 PHE CB C 13 39.591 41.655 -2.064 1 1 95 . 6 1 1 A 13 13 PHE N N 13 118.237 117.928 0.309 1 1 96 . 6 1 1 A 14 14 GLN H H 14 8.591 8.761 -0.170 1 1 97 . 6 1 1 A 14 14 GLN HA H 14 5.175 4.938 0.237 1 1 104 . 6 1 1 A 14 14 GLN C C 14 174.744 173.997 0.747 1 1 105 . 6 1 1 A 14 14 GLN CA C 14 54.668 55.200 -0.532 1 1 106 . 6 1 1 A 14 14 GLN CB C 14 32.675 33.393 -0.718 1 1 108 . 6 1 1 A 14 14 GLN N N 14 123.552 120.546 3.006 1 1 110 . 6 1 1 A 15 15 CYS H H 15 9.221 9.189 0.032 1 1 111 . 6 1 1 A 15 15 CYS HA H 15 4.576 4.700 -0.124 1 1 114 . 6 1 1 A 15 15 CYS C C 15 177.443 175.975 1.468 1 1 115 . 6 1 1 A 15 15 CYS CA C 15 59.565 58.224 1.341 1 1 116 . 6 1 1 A 15 15 CYS CB C 15 29.940 28.452 1.488 1 1 117 . 6 1 1 A 15 15 CYS N N 15 128.096 123.909 4.187 1 1 118 . 6 1 1 A 16 16 LYS H H 16 9.439 8.934 0.505 1 1 119 . 6 1 1 A 16 16 LYS HA H 16 4.204 4.226 -0.022 1 1 128 . 6 1 1 A 16 16 LYS C C 16 176.882 177.373 -0.491 1 1 129 . 6 1 1 A 16 16 LYS CA C 16 58.170 58.254 -0.084 1 1 130 . 6 1 1 A 16 16 LYS CB C 16 32.153 32.303 -0.150 1 1 134 . 6 1 1 A 16 16 LYS N N 16 132.264 128.028 4.236 1 1 135 . 6 1 1 A 17 17 GLU H H 17 8.836 7.890 0.946 1 1 136 . 6 1 1 A 17 17 GLU HA H 17 4.201 4.185 0.016 1 1 141 . 6 1 1 A 17 17 GLU C C 17 177.524 178.134 -0.610 1 1 142 . 6 1 1 A 17 17 GLU CA C 17 58.138 58.179 -0.041 1 1 143 . 6 1 1 A 17 17 GLU CB C 17 29.276 30.073 -0.797 1 1 145 . 6 1 1 A 17 17 GLU N N 17 120.919 117.705 3.214 1 1 146 . 6 1 1 A 18 18 CYS H H 18 8.312 8.025 0.287 1 1 147 . 6 1 1 A 18 18 CYS HA H 18 5.162 4.683 0.479 1 1 150 . 6 1 1 A 18 18 CYS C C 18 176.325 175.936 0.389 1 1 151 . 6 1 1 A 18 18 CYS CA C 18 58.284 58.965 -0.681 1 1 152 . 6 1 1 A 18 18 CYS CB C 18 32.594 30.619 1.975 1 1 153 . 6 1 1 A 18 18 CYS N N 18 115.693 114.523 1.170 1 1 154 . 6 1 1 A 19 19 GLY H H 19 8.106 8.255 -0.149 1 1 155 . 6 1 1 A 19 19 GLY HA2 H 19 4.219 3.962 0.257 1 1 156 . 6 1 1 A 19 19 GLY HA3 H 19 3.757 3.969 -0.212 1 1 157 . 6 1 1 A 19 19 GLY C C 19 173.852 174.671 -0.819 1 1 158 . 6 1 1 A 19 19 GLY CA C 19 46.048 45.140 0.908 1 1 159 . 6 1 1 A 19 19 GLY N N 19 113.172 109.951 3.221 1 1 160 . 6 1 1 A 20 20 MET H H 20 7.952 7.650 0.302 1 1 161 . 6 1 1 A 20 20 MET HA H 20 3.997 4.298 -0.301 1 1 169 . 6 1 1 A 20 20 MET C C 20 173.729 176.382 -2.653 1 1 170 . 6 1 1 A 20 20 MET CA C 20 57.756 56.156 1.600 1 1 171 . 6 1 1 A 20 20 MET CB C 20 33.879 33.143 0.736 1 1 174 . 6 1 1 A 20 20 MET N N 20 122.129 121.145 0.984 1 1 175 . 6 1 1 A 21 21 ASN H H 21 7.960 8.545 -0.585 1 1 176 . 6 1 1 A 21 21 ASN HA H 21 5.375 5.502 -0.127 1 1 181 . 6 1 1 A 21 21 ASN C C 21 173.981 174.287 -0.306 1 1 182 . 6 1 1 A 21 21 ASN CA C 21 52.027 51.900 0.127 1 1 183 . 6 1 1 A 21 21 ASN CB C 21 41.679 40.229 1.450 1 1 184 . 6 1 1 A 21 21 ASN N N 21 119.653 121.834 -2.181 1 1 186 . 6 1 1 A 22 22 PHE H H 22 8.724 8.531 0.193 1 1 187 . 6 1 1 A 22 22 PHE HA H 22 4.722 4.976 -0.254 1 1 195 . 6 1 1 A 22 22 PHE C C 22 175.430 176.055 -0.625 1 1 196 . 6 1 1 A 22 22 PHE CA C 22 57.156 57.059 0.097 1 1 197 . 6 1 1 A 22 22 PHE CB C 22 43.843 42.536 1.307 1 1 203 . 6 1 1 A 22 22 PHE N N 22 116.386 119.250 -2.864 1 1 204 . 6 1 1 A 23 23 SER HA H 23 4.470 4.304 0.166 1 1 207 . 6 1 1 A 23 23 SER CA C 23 60.762 61.485 -0.723 1 1 208 . 6 1 1 A 23 23 SER CB C 23 63.389 62.645 0.744 1 1 209 . 6 1 1 A 24 24 TRP H H 24 7.303 7.643 -0.340 1 1 210 . 6 1 1 A 24 24 TRP HA H 24 5.114 4.719 0.395 1 1 219 . 6 1 1 A 24 24 TRP CA C 24 54.989 57.721 -2.732 1 1 220 . 6 1 1 A 24 24 TRP CB C 24 32.901 30.611 2.290 1 1 226 . 6 1 1 A 24 24 TRP N N 24 116.709 122.873 -6.164 1 1 228 . 6 1 1 A 25 25 SER HA H 25 2.990 2.403 0.587 1 1 231 . 6 1 1 A 25 25 SER CA C 25 61.025 60.559 0.466 1 1 232 . 6 1 1 A 25 25 SER CB C 25 61.769 62.681 -0.912 1 1 233 . 6 1 1 A 26 26 CYS HA H 26 4.272 4.105 0.167 1 1 236 . 6 1 1 A 26 26 CYS CA C 26 60.467 62.148 -1.681 1 1 237 . 6 1 1 A 26 26 CYS CB C 26 26.503 27.261 -0.758 1 1 238 . 6 1 1 A 26 26 CYS N N 26 116.694 119.295 -2.601 1 1 239 . 6 1 1 A 27 27 SER HA H 27 4.265 4.116 0.149 1 1 242 . 6 1 1 A 27 27 SER C C 27 176.277 176.121 0.156 1 1 243 . 6 1 1 A 27 27 SER CA C 27 60.808 62.224 -1.416 1 1 244 . 6 1 1 A 27 27 SER CB C 27 62.592 62.679 -0.087 1 1 245 . 6 1 1 A 27 27 SER N N 27 115.000 116.875 -1.875 1 1 246 . 6 1 1 A 28 28 LEU H H 28 6.993 7.925 -0.932 1 1 247 . 6 1 1 A 28 28 LEU HA H 28 3.081 2.533 0.548 1 1 257 . 6 1 1 A 28 28 LEU C C 28 177.247 178.625 -1.378 1 1 258 . 6 1 1 A 28 28 LEU CA C 28 57.825 57.858 -0.033 1 1 259 . 6 1 1 A 28 28 LEU CB C 28 40.078 41.418 -1.340 1 1 263 . 6 1 1 A 28 28 LEU N N 28 124.148 122.305 1.843 1 1 264 . 6 1 1 A 29 29 PHE H H 29 8.208 8.159 0.049 1 1 265 . 6 1 1 A 29 29 PHE HA H 29 4.178 3.951 0.227 1 1 273 . 6 1 1 A 29 29 PHE C C 29 178.527 177.597 0.930 1 1 274 . 6 1 1 A 29 29 PHE CA C 29 61.303 61.854 -0.551 1 1 275 . 6 1 1 A 29 29 PHE CB C 29 37.971 39.149 -1.178 1 1 281 . 6 1 1 A 29 29 PHE N N 29 118.075 119.444 -1.369 1 1 282 . 6 1 1 A 30 30 LYS H H 30 7.660 7.943 -0.283 1 1 283 . 6 1 1 A 30 30 LYS HA H 30 3.959 4.102 -0.143 1 1 292 . 6 1 1 A 30 30 LYS C C 30 179.126 178.747 0.379 1 1 293 . 6 1 1 A 30 30 LYS CA C 30 59.586 59.590 -0.004 1 1 294 . 6 1 1 A 30 30 LYS CB C 30 32.503 32.211 0.292 1 1 298 . 6 1 1 A 30 30 LYS N N 30 118.194 117.835 0.359 1 1 299 . 6 1 1 A 31 31 HIS H H 31 7.637 8.425 -0.788 1 1 300 . 6 1 1 A 31 31 HIS HA H 31 4.205 4.263 -0.058 1 1 305 . 6 1 1 A 31 31 HIS C C 31 177.985 177.020 0.965 1 1 306 . 6 1 1 A 31 31 HIS CA C 31 59.463 59.112 0.351 1 1 307 . 6 1 1 A 31 31 HIS CB C 31 28.534 29.900 -1.366 1 1 310 . 6 1 1 A 31 31 HIS N N 31 119.604 119.542 0.062 1 1 311 . 6 1 1 A 32 32 LEU H H 32 8.690 8.733 -0.043 1 1 312 . 6 1 1 A 32 32 LEU HA H 32 3.861 3.970 -0.109 1 1 322 . 6 1 1 A 32 32 LEU C C 32 179.506 179.277 0.229 1 1 323 . 6 1 1 A 32 32 LEU CA C 32 58.447 58.153 0.294 1 1 324 . 6 1 1 A 32 32 LEU CB C 32 41.560 41.130 0.430 1 1 328 . 6 1 1 A 32 32 LEU N N 32 121.283 119.773 1.510 1 1 329 . 6 1 1 A 33 33 ARG H H 33 7.178 7.923 -0.745 1 1 330 . 6 1 1 A 33 33 ARG HA H 33 4.071 4.033 0.038 1 1 337 . 6 1 1 A 33 33 ARG C C 33 178.314 178.177 0.137 1 1 338 . 6 1 1 A 33 33 ARG CA C 33 58.320 58.602 -0.282 1 1 339 . 6 1 1 A 33 33 ARG CB C 33 29.531 29.886 -0.355 1 1 342 . 6 1 1 A 33 33 ARG N N 33 117.400 117.986 -0.586 1 1 343 . 6 1 1 A 34 34 SER H H 34 7.837 8.225 -0.388 1 1 344 . 6 1 1 A 34 34 SER HA H 34 4.196 4.063 0.133 1 1 347 . 6 1 1 A 34 34 SER C C 34 174.873 175.384 -0.511 1 1 348 . 6 1 1 A 34 34 SER CA C 34 60.482 60.518 -0.036 1 1 349 . 6 1 1 A 34 34 SER CB C 34 63.140 62.528 0.612 1 1 350 . 6 1 1 A 34 34 SER N N 34 114.440 115.023 -0.583 1 1 351 . 6 1 1 A 35 35 HIS H H 35 7.204 8.039 -0.835 1 1 352 . 6 1 1 A 35 35 HIS HA H 35 4.773 4.533 0.240 1 1 357 . 6 1 1 A 35 35 HIS C C 35 174.959 177.563 -2.604 1 1 358 . 6 1 1 A 35 35 HIS CA C 35 55.192 57.830 -2.638 1 1 359 . 6 1 1 A 35 35 HIS CB C 35 29.005 31.244 -2.239 1 1 362 . 6 1 1 A 35 35 HIS N N 35 118.479 117.470 1.009 1 1 363 . 6 1 1 A 36 36 GLU H H 36 7.583 8.441 -0.858 1 1 364 . 6 1 1 A 36 36 GLU HA H 36 4.256 3.926 0.330 1 1 369 . 6 1 1 A 36 36 GLU C C 36 176.328 178.564 -2.236 1 1 370 . 6 1 1 A 36 36 GLU CA C 36 56.841 59.282 -2.441 1 1 371 . 6 1 1 A 36 36 GLU CB C 36 30.329 29.212 1.117 1 1 373 . 6 1 1 A 36 36 GLU N N 36 120.262 117.991 2.271 1 1 374 . 6 1 1 A 37 37 ARG H H 37 8.387 7.917 0.470 1 1 375 . 6 1 1 A 37 37 ARG HA H 37 4.453 4.124 0.329 1 1 382 . 6 1 1 A 37 37 ARG C C 37 176.254 176.919 -0.665 1 1 383 . 6 1 1 A 37 37 ARG CA C 37 55.900 58.732 -2.832 1 1 384 . 6 1 1 A 37 37 ARG CB C 37 30.906 30.192 0.714 1 1 387 . 6 1 1 A 37 37 ARG N N 37 122.086 120.054 2.032 1 1 388 . 6 1 1 A 38 38 THR H H 38 8.275 7.864 0.411 1 1 389 . 6 1 1 A 38 38 THR HA H 38 4.328 4.249 0.079 1 1 394 . 6 1 1 A 38 38 THR C C 38 174.006 173.429 0.577 1 1 395 . 6 1 1 A 38 38 THR CA C 38 61.731 63.881 -2.150 1 1 396 . 6 1 1 A 38 38 THR CB C 38 69.937 69.744 0.193 1 1 398 . 6 1 1 A 38 38 THR N N 38 115.922 114.023 1.899 1 1 399 . 6 1 1 A 39 39 ASP H H 39 8.437 8.505 -0.068 1 1 400 . 6 1 1 A 39 39 ASP HA H 39 4.900 5.193 -0.293 1 1 403 . 6 1 1 A 39 39 ASP C C 39 174.780 174.406 0.374 1 1 404 . 6 1 1 A 39 39 ASP CA C 39 52.198 50.717 1.481 1 1 405 . 6 1 1 A 39 39 ASP CB C 39 41.197 43.224 -2.027 1 1 406 . 6 1 1 A 39 39 ASP N N 39 124.343 126.429 -2.086 1 1 407 . 6 1 1 A 40 40 PRO HA H 40 4.467 4.750 -0.283 1 1 414 . 6 1 1 A 40 40 PRO CA C 40 63.632 62.400 1.232 1 1 415 . 6 1 1 A 40 40 PRO CB C 40 32.113 29.719 2.394 1 1 418 . 6 1 1 A 41 41 SER H H 41 8.481 8.258 0.223 1 1 419 . 6 1 1 A 41 41 SER HA H 41 4.463 4.988 -0.525 1 1 422 . 6 1 1 A 41 41 SER CA C 41 58.677 57.646 1.031 1 1 423 . 6 1 1 A 41 41 SER CB C 41 63.874 67.144 -3.270 1 1 424 . 6 1 1 A 41 41 SER N N 41 115.801 119.640 -3.839 1 1 425 . 6 1 1 A 42 42 GLY H H 42 8.086 8.470 -0.384 1 1 426 . 6 1 1 A 42 42 GLY HA2 H 42 4.173 4.111 0.062 1 1 427 . 6 1 1 A 42 42 GLY HA3 H 42 4.065 4.111 -0.046 1 1 428 . 6 1 1 A 42 42 GLY CA C 42 44.752 44.518 0.234 1 1 429 . 6 1 1 A 42 42 GLY N N 42 110.426 110.971 -0.545 1 1 430 . 6 1 1 A 43 43 PRO HA H 43 4.488 4.625 -0.137 1 1 437 . 6 1 1 A 43 43 PRO CA C 43 63.241 62.291 0.950 1 1 438 . 6 1 1 A 43 43 PRO CB C 43 32.157 29.523 2.634 1 1 1 . 7 1 1 A 4 4 GLY HA2 H 4 4.452 4.164 0.288 1 1 2 . 7 1 1 A 4 4 GLY HA3 H 4 4.452 4.165 0.287 1 1 3 . 7 1 1 A 4 4 GLY C C 4 177.372 174.423 2.949 1 1 4 . 7 1 1 A 5 5 SER H H 5 8.514 8.686 -0.172 1 1 5 . 7 1 1 A 5 5 SER HA H 5 4.517 4.658 -0.141 1 1 8 . 7 1 1 A 5 5 SER C C 5 174.470 174.529 -0.059 1 1 9 . 7 1 1 A 5 5 SER CA C 5 58.246 57.920 0.326 1 1 10 . 7 1 1 A 5 5 SER CB C 5 63.845 62.231 1.614 1 1 11 . 7 1 1 A 5 5 SER N N 5 116.459 119.200 -2.741 1 1 12 . 7 1 1 A 6 6 SER C C 6 173.892 174.412 -0.520 1 1 13 . 7 1 1 A 6 6 SER CA C 6 58.410 58.141 0.269 1 1 14 . 7 1 1 A 6 6 SER CB C 6 64.048 63.141 0.907 1 1 15 . 7 1 1 A 6 6 SER N N 6 118.058 119.179 -1.121 1 1 16 . 7 1 1 A 7 7 GLY HA2 H 7 4.032 4.034 -0.002 1 1 17 . 7 1 1 A 7 7 GLY HA3 H 7 4.032 4.035 -0.003 1 1 18 . 7 1 1 A 7 7 GLY C C 7 174.503 174.620 -0.117 1 1 19 . 7 1 1 A 7 7 GLY CA C 7 45.426 44.880 0.546 1 1 20 . 7 1 1 A 7 7 GLY N N 7 117.426 108.561 8.865 1 1 21 . 7 1 1 A 8 8 THR H H 8 8.134 8.534 -0.400 1 1 22 . 7 1 1 A 8 8 THR HA H 8 4.361 4.160 0.201 1 1 27 . 7 1 1 A 8 8 THR C C 8 175.191 174.431 0.760 1 1 28 . 7 1 1 A 8 8 THR CA C 8 61.847 64.321 -2.474 1 1 29 . 7 1 1 A 8 8 THR CB C 8 69.840 69.788 0.052 1 1 31 . 7 1 1 A 8 8 THR N N 8 112.760 115.528 -2.768 1 1 32 . 7 1 1 A 9 9 GLY H H 9 8.413 7.657 0.756 1 1 33 . 7 1 1 A 9 9 GLY HA2 H 9 3.947 4.002 -0.055 1 1 34 . 7 1 1 A 9 9 GLY HA3 H 9 3.900 4.005 -0.105 1 1 35 . 7 1 1 A 9 9 GLY C C 9 174.023 171.887 2.136 1 1 36 . 7 1 1 A 9 9 GLY CA C 9 45.259 45.876 -0.617 1 1 37 . 7 1 1 A 9 9 GLY N N 9 110.903 108.472 2.431 1 1 38 . 7 1 1 A 10 10 GLU H H 10 8.200 8.627 -0.427 1 1 39 . 7 1 1 A 10 10 GLU HA H 10 4.168 5.066 -0.898 1 1 44 . 7 1 1 A 10 10 GLU C C 10 176.430 175.049 1.381 1 1 45 . 7 1 1 A 10 10 GLU CA C 10 56.773 55.068 1.705 1 1 46 . 7 1 1 A 10 10 GLU CB C 10 30.405 31.985 -1.580 1 1 48 . 7 1 1 A 10 10 GLU N N 10 120.140 119.540 0.600 1 1 49 . 7 1 1 A 11 11 LYS H H 11 8.325 8.388 -0.063 1 1 50 . 7 1 1 A 11 11 LYS HA H 11 4.496 4.883 -0.387 1 1 59 . 7 1 1 A 11 11 LYS C C 11 174.166 175.826 -1.660 1 1 60 . 7 1 1 A 11 11 LYS CA C 11 53.920 52.911 1.009 1 1 61 . 7 1 1 A 11 11 LYS CB C 11 33.107 35.298 -2.191 1 1 65 . 7 1 1 A 11 11 LYS N N 11 122.011 119.546 2.465 1 1 66 . 7 1 1 A 12 12 PRO HA H 12 4.242 4.287 -0.045 1 1 73 . 7 1 1 A 12 12 PRO C C 12 176.359 176.273 0.086 1 1 74 . 7 1 1 A 12 12 PRO CA C 12 63.623 64.883 -1.260 1 1 75 . 7 1 1 A 12 12 PRO CB C 12 32.138 31.803 0.335 1 1 78 . 7 1 1 A 13 13 PHE H H 13 7.984 7.951 0.033 1 1 79 . 7 1 1 A 13 13 PHE HA H 13 4.695 5.054 -0.359 1 1 87 . 7 1 1 A 13 13 PHE C C 13 174.248 174.869 -0.621 1 1 88 . 7 1 1 A 13 13 PHE CA C 13 56.993 57.381 -0.388 1 1 89 . 7 1 1 A 13 13 PHE CB C 13 39.591 41.776 -2.185 1 1 95 . 7 1 1 A 13 13 PHE N N 13 118.237 117.881 0.356 1 1 96 . 7 1 1 A 14 14 GLN H H 14 8.591 8.786 -0.195 1 1 97 . 7 1 1 A 14 14 GLN HA H 14 5.175 4.885 0.290 1 1 104 . 7 1 1 A 14 14 GLN C C 14 174.744 174.127 0.617 1 1 105 . 7 1 1 A 14 14 GLN CA C 14 54.668 55.269 -0.601 1 1 106 . 7 1 1 A 14 14 GLN CB C 14 32.675 33.375 -0.700 1 1 108 . 7 1 1 A 14 14 GLN N N 14 123.552 120.200 3.352 1 1 110 . 7 1 1 A 15 15 CYS H H 15 9.221 9.193 0.028 1 1 111 . 7 1 1 A 15 15 CYS HA H 15 4.576 4.714 -0.138 1 1 114 . 7 1 1 A 15 15 CYS C C 15 177.443 175.694 1.749 1 1 115 . 7 1 1 A 15 15 CYS CA C 15 59.565 58.291 1.274 1 1 116 . 7 1 1 A 15 15 CYS CB C 15 29.940 29.203 0.737 1 1 117 . 7 1 1 A 15 15 CYS N N 15 128.096 123.243 4.853 1 1 118 . 7 1 1 A 16 16 LYS H H 16 9.439 9.066 0.373 1 1 119 . 7 1 1 A 16 16 LYS HA H 16 4.204 4.362 -0.158 1 1 128 . 7 1 1 A 16 16 LYS C C 16 176.882 176.761 0.121 1 1 129 . 7 1 1 A 16 16 LYS CA C 16 58.170 57.420 0.750 1 1 130 . 7 1 1 A 16 16 LYS CB C 16 32.153 32.009 0.144 1 1 134 . 7 1 1 A 16 16 LYS N N 16 132.264 128.624 3.640 1 1 135 . 7 1 1 A 17 17 GLU H H 17 8.836 7.908 0.928 1 1 136 . 7 1 1 A 17 17 GLU HA H 17 4.201 4.270 -0.069 1 1 141 . 7 1 1 A 17 17 GLU C C 17 177.524 178.057 -0.533 1 1 142 . 7 1 1 A 17 17 GLU CA C 17 58.138 57.705 0.433 1 1 143 . 7 1 1 A 17 17 GLU CB C 17 29.276 30.121 -0.845 1 1 145 . 7 1 1 A 17 17 GLU N N 17 120.919 117.046 3.873 1 1 146 . 7 1 1 A 18 18 CYS H H 18 8.312 7.965 0.347 1 1 147 . 7 1 1 A 18 18 CYS HA H 18 5.162 4.670 0.492 1 1 150 . 7 1 1 A 18 18 CYS C C 18 176.325 175.939 0.386 1 1 151 . 7 1 1 A 18 18 CYS CA C 18 58.284 58.914 -0.630 1 1 152 . 7 1 1 A 18 18 CYS CB C 18 32.594 30.645 1.949 1 1 153 . 7 1 1 A 18 18 CYS N N 18 115.693 114.167 1.526 1 1 154 . 7 1 1 A 19 19 GLY H H 19 8.106 8.169 -0.063 1 1 155 . 7 1 1 A 19 19 GLY HA2 H 19 4.219 3.940 0.279 1 1 156 . 7 1 1 A 19 19 GLY HA3 H 19 3.757 3.947 -0.190 1 1 157 . 7 1 1 A 19 19 GLY C C 19 173.852 174.664 -0.812 1 1 158 . 7 1 1 A 19 19 GLY CA C 19 46.048 45.050 0.998 1 1 159 . 7 1 1 A 19 19 GLY N N 19 113.172 109.683 3.489 1 1 160 . 7 1 1 A 20 20 MET H H 20 7.952 7.649 0.303 1 1 161 . 7 1 1 A 20 20 MET HA H 20 3.997 4.286 -0.289 1 1 169 . 7 1 1 A 20 20 MET C C 20 173.729 176.286 -2.557 1 1 170 . 7 1 1 A 20 20 MET CA C 20 57.756 56.205 1.551 1 1 171 . 7 1 1 A 20 20 MET CB C 20 33.879 32.994 0.885 1 1 174 . 7 1 1 A 20 20 MET N N 20 122.129 121.311 0.818 1 1 175 . 7 1 1 A 21 21 ASN H H 21 7.960 8.531 -0.571 1 1 176 . 7 1 1 A 21 21 ASN HA H 21 5.375 5.656 -0.281 1 1 181 . 7 1 1 A 21 21 ASN C C 21 173.981 174.068 -0.087 1 1 182 . 7 1 1 A 21 21 ASN CA C 21 52.027 51.749 0.278 1 1 183 . 7 1 1 A 21 21 ASN CB C 21 41.679 40.467 1.212 1 1 184 . 7 1 1 A 21 21 ASN N N 21 119.653 121.544 -1.891 1 1 186 . 7 1 1 A 22 22 PHE H H 22 8.724 8.615 0.109 1 1 187 . 7 1 1 A 22 22 PHE HA H 22 4.722 4.999 -0.277 1 1 195 . 7 1 1 A 22 22 PHE C C 22 175.430 175.507 -0.077 1 1 196 . 7 1 1 A 22 22 PHE CA C 22 57.156 57.183 -0.027 1 1 197 . 7 1 1 A 22 22 PHE CB C 22 43.843 43.329 0.514 1 1 203 . 7 1 1 A 22 22 PHE N N 22 116.386 119.882 -3.496 1 1 204 . 7 1 1 A 23 23 SER HA H 23 4.470 4.621 -0.151 1 1 207 . 7 1 1 A 23 23 SER CA C 23 60.762 58.010 2.752 1 1 208 . 7 1 1 A 23 23 SER CB C 23 63.389 62.922 0.467 1 1 209 . 7 1 1 A 24 24 TRP H H 24 7.303 7.702 -0.399 1 1 210 . 7 1 1 A 24 24 TRP HA H 24 5.114 5.141 -0.027 1 1 219 . 7 1 1 A 24 24 TRP CA C 24 54.989 55.723 -0.734 1 1 220 . 7 1 1 A 24 24 TRP CB C 24 32.901 34.263 -1.362 1 1 226 . 7 1 1 A 24 24 TRP N N 24 116.709 121.757 -5.048 1 1 228 . 7 1 1 A 25 25 SER HA H 25 2.990 3.213 -0.223 1 1 231 . 7 1 1 A 25 25 SER CA C 25 61.025 59.448 1.577 1 1 232 . 7 1 1 A 25 25 SER CB C 25 61.769 63.910 -2.141 1 1 233 . 7 1 1 A 26 26 CYS HA H 26 4.272 4.183 0.089 1 1 236 . 7 1 1 A 26 26 CYS CA C 26 60.467 61.896 -1.429 1 1 237 . 7 1 1 A 26 26 CYS CB C 26 26.503 27.270 -0.767 1 1 238 . 7 1 1 A 26 26 CYS N N 26 116.694 119.342 -2.648 1 1 239 . 7 1 1 A 27 27 SER HA H 27 4.265 4.053 0.212 1 1 242 . 7 1 1 A 27 27 SER C C 27 176.277 175.987 0.290 1 1 243 . 7 1 1 A 27 27 SER CA C 27 60.808 62.344 -1.536 1 1 244 . 7 1 1 A 27 27 SER CB C 27 62.592 62.615 -0.023 1 1 245 . 7 1 1 A 27 27 SER N N 27 115.000 117.011 -2.011 1 1 246 . 7 1 1 A 28 28 LEU H H 28 6.993 7.905 -0.912 1 1 247 . 7 1 1 A 28 28 LEU HA H 28 3.081 2.480 0.601 1 1 257 . 7 1 1 A 28 28 LEU C C 28 177.247 178.583 -1.336 1 1 258 . 7 1 1 A 28 28 LEU CA C 28 57.825 57.496 0.329 1 1 259 . 7 1 1 A 28 28 LEU CB C 28 40.078 41.397 -1.319 1 1 263 . 7 1 1 A 28 28 LEU N N 28 124.148 122.239 1.909 1 1 264 . 7 1 1 A 29 29 PHE H H 29 8.208 8.168 0.040 1 1 265 . 7 1 1 A 29 29 PHE HA H 29 4.178 3.923 0.255 1 1 273 . 7 1 1 A 29 29 PHE C C 29 178.527 177.954 0.573 1 1 274 . 7 1 1 A 29 29 PHE CA C 29 61.303 61.917 -0.614 1 1 275 . 7 1 1 A 29 29 PHE CB C 29 37.971 39.084 -1.113 1 1 281 . 7 1 1 A 29 29 PHE N N 29 118.075 119.206 -1.131 1 1 282 . 7 1 1 A 30 30 LYS H H 30 7.660 8.205 -0.545 1 1 283 . 7 1 1 A 30 30 LYS HA H 30 3.959 4.035 -0.076 1 1 292 . 7 1 1 A 30 30 LYS C C 30 179.126 178.506 0.620 1 1 293 . 7 1 1 A 30 30 LYS CA C 30 59.586 59.131 0.455 1 1 294 . 7 1 1 A 30 30 LYS CB C 30 32.503 31.992 0.511 1 1 298 . 7 1 1 A 30 30 LYS N N 30 118.194 118.308 -0.114 1 1 299 . 7 1 1 A 31 31 HIS H H 31 7.637 8.275 -0.638 1 1 300 . 7 1 1 A 31 31 HIS HA H 31 4.205 4.281 -0.076 1 1 305 . 7 1 1 A 31 31 HIS C C 31 177.985 176.967 1.018 1 1 306 . 7 1 1 A 31 31 HIS CA C 31 59.463 59.071 0.392 1 1 307 . 7 1 1 A 31 31 HIS CB C 31 28.534 30.152 -1.618 1 1 310 . 7 1 1 A 31 31 HIS N N 31 119.604 119.704 -0.100 1 1 311 . 7 1 1 A 32 32 LEU H H 32 8.690 8.536 0.154 1 1 312 . 7 1 1 A 32 32 LEU HA H 32 3.861 4.017 -0.156 1 1 322 . 7 1 1 A 32 32 LEU C C 32 179.506 179.585 -0.079 1 1 323 . 7 1 1 A 32 32 LEU CA C 32 58.447 57.934 0.513 1 1 324 . 7 1 1 A 32 32 LEU CB C 32 41.560 41.281 0.279 1 1 328 . 7 1 1 A 32 32 LEU N N 32 121.283 119.255 2.028 1 1 329 . 7 1 1 A 33 33 ARG H H 33 7.178 7.958 -0.780 1 1 330 . 7 1 1 A 33 33 ARG HA H 33 4.071 3.973 0.098 1 1 337 . 7 1 1 A 33 33 ARG C C 33 178.314 177.623 0.691 1 1 338 . 7 1 1 A 33 33 ARG CA C 33 58.320 58.204 0.116 1 1 339 . 7 1 1 A 33 33 ARG CB C 33 29.531 29.228 0.303 1 1 342 . 7 1 1 A 33 33 ARG N N 33 117.400 117.994 -0.594 1 1 343 . 7 1 1 A 34 34 SER H H 34 7.837 7.933 -0.096 1 1 344 . 7 1 1 A 34 34 SER HA H 34 4.196 4.170 0.026 1 1 347 . 7 1 1 A 34 34 SER C C 34 174.873 174.771 0.102 1 1 348 . 7 1 1 A 34 34 SER CA C 34 60.482 59.979 0.503 1 1 349 . 7 1 1 A 34 34 SER CB C 34 63.140 62.202 0.938 1 1 350 . 7 1 1 A 34 34 SER N N 34 114.440 114.765 -0.325 1 1 351 . 7 1 1 A 35 35 HIS H H 35 7.204 8.112 -0.908 1 1 352 . 7 1 1 A 35 35 HIS HA H 35 4.773 4.734 0.039 1 1 357 . 7 1 1 A 35 35 HIS C C 35 174.959 176.095 -1.136 1 1 358 . 7 1 1 A 35 35 HIS CA C 35 55.192 56.386 -1.194 1 1 359 . 7 1 1 A 35 35 HIS CB C 35 29.005 31.614 -2.609 1 1 362 . 7 1 1 A 35 35 HIS N N 35 118.479 118.171 0.308 1 1 363 . 7 1 1 A 36 36 GLU H H 36 7.583 7.942 -0.359 1 1 364 . 7 1 1 A 36 36 GLU HA H 36 4.256 4.084 0.172 1 1 369 . 7 1 1 A 36 36 GLU C C 36 176.328 178.347 -2.019 1 1 370 . 7 1 1 A 36 36 GLU CA C 36 56.841 59.549 -2.708 1 1 371 . 7 1 1 A 36 36 GLU CB C 36 30.329 29.885 0.444 1 1 373 . 7 1 1 A 36 36 GLU N N 36 120.262 120.218 0.044 1 1 374 . 7 1 1 A 37 37 ARG H H 37 8.387 7.686 0.701 1 1 375 . 7 1 1 A 37 37 ARG HA H 37 4.453 4.461 -0.008 1 1 382 . 7 1 1 A 37 37 ARG C C 37 176.254 176.089 0.165 1 1 383 . 7 1 1 A 37 37 ARG CA C 37 55.900 56.708 -0.808 1 1 384 . 7 1 1 A 37 37 ARG CB C 37 30.906 31.935 -1.029 1 1 387 . 7 1 1 A 37 37 ARG N N 37 122.086 116.409 5.677 1 1 388 . 7 1 1 A 38 38 THR H H 38 8.275 7.600 0.675 1 1 389 . 7 1 1 A 38 38 THR HA H 38 4.328 4.248 0.080 1 1 394 . 7 1 1 A 38 38 THR C C 38 174.006 173.926 0.080 1 1 395 . 7 1 1 A 38 38 THR CA C 38 61.731 63.484 -1.753 1 1 396 . 7 1 1 A 38 38 THR CB C 38 69.937 69.479 0.458 1 1 398 . 7 1 1 A 38 38 THR N N 38 115.922 115.430 0.492 1 1 399 . 7 1 1 A 39 39 ASP H H 39 8.437 8.815 -0.378 1 1 400 . 7 1 1 A 39 39 ASP HA H 39 4.900 4.857 0.043 1 1 403 . 7 1 1 A 39 39 ASP C C 39 174.780 174.329 0.451 1 1 404 . 7 1 1 A 39 39 ASP CA C 39 52.198 52.555 -0.357 1 1 405 . 7 1 1 A 39 39 ASP CB C 39 41.197 40.344 0.853 1 1 406 . 7 1 1 A 39 39 ASP N N 39 124.343 126.062 -1.719 1 1 407 . 7 1 1 A 40 40 PRO HA H 40 4.467 4.539 -0.072 1 1 414 . 7 1 1 A 40 40 PRO CA C 40 63.632 62.340 1.292 1 1 415 . 7 1 1 A 40 40 PRO CB C 40 32.113 33.349 -1.236 1 1 418 . 7 1 1 A 41 41 SER H H 41 8.481 8.545 -0.064 1 1 419 . 7 1 1 A 41 41 SER HA H 41 4.463 4.254 0.209 1 1 422 . 7 1 1 A 41 41 SER CA C 41 58.677 60.741 -2.064 1 1 423 . 7 1 1 A 41 41 SER CB C 41 63.874 63.438 0.436 1 1 424 . 7 1 1 A 41 41 SER N N 41 115.801 113.740 2.061 1 1 425 . 7 1 1 A 42 42 GLY H H 42 8.086 7.376 0.710 1 1 426 . 7 1 1 A 42 42 GLY HA2 H 42 4.173 4.032 0.141 1 1 427 . 7 1 1 A 42 42 GLY HA3 H 42 4.065 4.033 0.032 1 1 428 . 7 1 1 A 42 42 GLY CA C 42 44.752 45.192 -0.440 1 1 429 . 7 1 1 A 42 42 GLY N N 42 110.426 107.755 2.671 1 1 430 . 7 1 1 A 43 43 PRO HA H 43 4.488 4.746 -0.258 1 1 437 . 7 1 1 A 43 43 PRO CA C 43 63.241 62.688 0.553 1 1 438 . 7 1 1 A 43 43 PRO CB C 43 32.157 31.745 0.412 1 1 1 . 8 1 1 A 4 4 GLY HA2 H 4 4.452 4.207 0.245 1 1 2 . 8 1 1 A 4 4 GLY HA3 H 4 4.452 4.208 0.244 1 1 3 . 8 1 1 A 4 4 GLY C C 4 177.372 173.118 4.254 1 1 4 . 8 1 1 A 5 5 SER H H 5 8.514 8.274 0.240 1 1 5 . 8 1 1 A 5 5 SER HA H 5 4.517 5.394 -0.877 1 1 8 . 8 1 1 A 5 5 SER C C 5 174.470 172.858 1.612 1 1 9 . 8 1 1 A 5 5 SER CA C 5 58.246 56.183 2.063 1 1 10 . 8 1 1 A 5 5 SER CB C 5 63.845 66.045 -2.200 1 1 11 . 8 1 1 A 5 5 SER N N 5 116.459 116.839 -0.380 1 1 12 . 8 1 1 A 6 6 SER C C 6 173.892 173.544 0.348 1 1 13 . 8 1 1 A 6 6 SER CA C 6 58.410 56.568 1.842 1 1 14 . 8 1 1 A 6 6 SER CB C 6 64.048 64.301 -0.253 1 1 15 . 8 1 1 A 6 6 SER N N 6 118.058 117.873 0.185 1 1 16 . 8 1 1 A 7 7 GLY HA2 H 7 4.032 4.174 -0.142 1 1 17 . 8 1 1 A 7 7 GLY HA3 H 7 4.032 4.174 -0.142 1 1 18 . 8 1 1 A 7 7 GLY C C 7 174.503 173.522 0.981 1 1 19 . 8 1 1 A 7 7 GLY CA C 7 45.426 43.946 1.480 1 1 20 . 8 1 1 A 7 7 GLY N N 7 117.426 115.492 1.934 1 1 21 . 8 1 1 A 8 8 THR H H 8 8.134 8.248 -0.114 1 1 22 . 8 1 1 A 8 8 THR HA H 8 4.361 4.229 0.132 1 1 27 . 8 1 1 A 8 8 THR C C 8 175.191 174.681 0.510 1 1 28 . 8 1 1 A 8 8 THR CA C 8 61.847 62.647 -0.800 1 1 29 . 8 1 1 A 8 8 THR CB C 8 69.840 69.284 0.556 1 1 31 . 8 1 1 A 8 8 THR N N 8 112.760 113.793 -1.033 1 1 32 . 8 1 1 A 9 9 GLY H H 9 8.413 8.411 0.002 1 1 33 . 8 1 1 A 9 9 GLY HA2 H 9 3.947 4.193 -0.246 1 1 34 . 8 1 1 A 9 9 GLY HA3 H 9 3.900 4.195 -0.295 1 1 35 . 8 1 1 A 9 9 GLY C C 9 174.023 172.919 1.104 1 1 36 . 8 1 1 A 9 9 GLY CA C 9 45.259 45.804 -0.545 1 1 37 . 8 1 1 A 9 9 GLY N N 9 110.903 109.396 1.507 1 1 38 . 8 1 1 A 10 10 GLU H H 10 8.200 8.065 0.135 1 1 39 . 8 1 1 A 10 10 GLU HA H 10 4.168 4.912 -0.744 1 1 44 . 8 1 1 A 10 10 GLU C C 10 176.430 174.434 1.996 1 1 45 . 8 1 1 A 10 10 GLU CA C 10 56.773 54.377 2.396 1 1 46 . 8 1 1 A 10 10 GLU CB C 10 30.405 33.597 -3.192 1 1 48 . 8 1 1 A 10 10 GLU N N 10 120.140 116.487 3.653 1 1 49 . 8 1 1 A 11 11 LYS H H 11 8.325 8.479 -0.154 1 1 50 . 8 1 1 A 11 11 LYS HA H 11 4.496 4.779 -0.283 1 1 59 . 8 1 1 A 11 11 LYS C C 11 174.166 175.551 -1.385 1 1 60 . 8 1 1 A 11 11 LYS CA C 11 53.920 52.366 1.554 1 1 61 . 8 1 1 A 11 11 LYS CB C 11 33.107 34.476 -1.369 1 1 65 . 8 1 1 A 11 11 LYS N N 11 122.011 120.859 1.152 1 1 66 . 8 1 1 A 12 12 PRO HA H 12 4.242 4.265 -0.023 1 1 73 . 8 1 1 A 12 12 PRO C C 12 176.359 176.155 0.204 1 1 74 . 8 1 1 A 12 12 PRO CA C 12 63.623 64.805 -1.182 1 1 75 . 8 1 1 A 12 12 PRO CB C 12 32.138 31.763 0.375 1 1 78 . 8 1 1 A 13 13 PHE H H 13 7.984 7.368 0.616 1 1 79 . 8 1 1 A 13 13 PHE HA H 13 4.695 5.094 -0.399 1 1 87 . 8 1 1 A 13 13 PHE C C 13 174.248 174.517 -0.269 1 1 88 . 8 1 1 A 13 13 PHE CA C 13 56.993 57.261 -0.268 1 1 89 . 8 1 1 A 13 13 PHE CB C 13 39.591 41.824 -2.233 1 1 95 . 8 1 1 A 13 13 PHE N N 13 118.237 117.897 0.340 1 1 96 . 8 1 1 A 14 14 GLN H H 14 8.591 8.846 -0.255 1 1 97 . 8 1 1 A 14 14 GLN HA H 14 5.175 4.920 0.255 1 1 104 . 8 1 1 A 14 14 GLN C C 14 174.744 174.156 0.588 1 1 105 . 8 1 1 A 14 14 GLN CA C 14 54.668 54.868 -0.200 1 1 106 . 8 1 1 A 14 14 GLN CB C 14 32.675 33.114 -0.439 1 1 108 . 8 1 1 A 14 14 GLN N N 14 123.552 120.386 3.166 1 1 110 . 8 1 1 A 15 15 CYS H H 15 9.221 9.308 -0.087 1 1 111 . 8 1 1 A 15 15 CYS HA H 15 4.576 4.642 -0.066 1 1 114 . 8 1 1 A 15 15 CYS C C 15 177.443 175.709 1.734 1 1 115 . 8 1 1 A 15 15 CYS CA C 15 59.565 58.637 0.928 1 1 116 . 8 1 1 A 15 15 CYS CB C 15 29.940 28.645 1.295 1 1 117 . 8 1 1 A 15 15 CYS N N 15 128.096 123.572 4.524 1 1 118 . 8 1 1 A 16 16 LYS H H 16 9.439 9.024 0.415 1 1 119 . 8 1 1 A 16 16 LYS HA H 16 4.204 4.327 -0.123 1 1 128 . 8 1 1 A 16 16 LYS C C 16 176.882 176.955 -0.073 1 1 129 . 8 1 1 A 16 16 LYS CA C 16 58.170 57.663 0.507 1 1 130 . 8 1 1 A 16 16 LYS CB C 16 32.153 32.057 0.096 1 1 134 . 8 1 1 A 16 16 LYS N N 16 132.264 128.534 3.730 1 1 135 . 8 1 1 A 17 17 GLU H H 17 8.836 7.883 0.953 1 1 136 . 8 1 1 A 17 17 GLU HA H 17 4.201 4.260 -0.059 1 1 141 . 8 1 1 A 17 17 GLU C C 17 177.524 178.106 -0.582 1 1 142 . 8 1 1 A 17 17 GLU CA C 17 58.138 57.908 0.230 1 1 143 . 8 1 1 A 17 17 GLU CB C 17 29.276 30.150 -0.874 1 1 145 . 8 1 1 A 17 17 GLU N N 17 120.919 117.320 3.599 1 1 146 . 8 1 1 A 18 18 CYS H H 18 8.312 8.014 0.298 1 1 147 . 8 1 1 A 18 18 CYS HA H 18 5.162 4.731 0.431 1 1 150 . 8 1 1 A 18 18 CYS C C 18 176.325 175.949 0.376 1 1 151 . 8 1 1 A 18 18 CYS CA C 18 58.284 58.950 -0.666 1 1 152 . 8 1 1 A 18 18 CYS CB C 18 32.594 30.592 2.002 1 1 153 . 8 1 1 A 18 18 CYS N N 18 115.693 114.672 1.021 1 1 154 . 8 1 1 A 19 19 GLY H H 19 8.106 8.076 0.030 1 1 155 . 8 1 1 A 19 19 GLY HA2 H 19 4.219 4.027 0.192 1 1 156 . 8 1 1 A 19 19 GLY HA3 H 19 3.757 4.032 -0.275 1 1 157 . 8 1 1 A 19 19 GLY C C 19 173.852 174.465 -0.613 1 1 158 . 8 1 1 A 19 19 GLY CA C 19 46.048 45.077 0.971 1 1 159 . 8 1 1 A 19 19 GLY N N 19 113.172 109.811 3.361 1 1 160 . 8 1 1 A 20 20 MET H H 20 7.952 7.680 0.272 1 1 161 . 8 1 1 A 20 20 MET HA H 20 3.997 4.297 -0.300 1 1 169 . 8 1 1 A 20 20 MET C C 20 173.729 176.357 -2.628 1 1 170 . 8 1 1 A 20 20 MET CA C 20 57.756 56.300 1.456 1 1 171 . 8 1 1 A 20 20 MET CB C 20 33.879 33.052 0.827 1 1 174 . 8 1 1 A 20 20 MET N N 20 122.129 121.314 0.815 1 1 175 . 8 1 1 A 21 21 ASN H H 21 7.960 8.396 -0.436 1 1 176 . 8 1 1 A 21 21 ASN HA H 21 5.375 5.486 -0.111 1 1 181 . 8 1 1 A 21 21 ASN C C 21 173.981 174.035 -0.054 1 1 182 . 8 1 1 A 21 21 ASN CA C 21 52.027 51.743 0.284 1 1 183 . 8 1 1 A 21 21 ASN CB C 21 41.679 40.194 1.485 1 1 184 . 8 1 1 A 21 21 ASN N N 21 119.653 121.966 -2.313 1 1 186 . 8 1 1 A 22 22 PHE H H 22 8.724 8.624 0.100 1 1 187 . 8 1 1 A 22 22 PHE HA H 22 4.722 4.963 -0.241 1 1 195 . 8 1 1 A 22 22 PHE C C 22 175.430 174.806 0.624 1 1 196 . 8 1 1 A 22 22 PHE CA C 22 57.156 57.097 0.059 1 1 197 . 8 1 1 A 22 22 PHE CB C 22 43.843 43.629 0.214 1 1 203 . 8 1 1 A 22 22 PHE N N 22 116.386 118.297 -1.911 1 1 204 . 8 1 1 A 23 23 SER HA H 23 4.470 4.549 -0.079 1 1 207 . 8 1 1 A 23 23 SER CA C 23 60.762 57.865 2.897 1 1 208 . 8 1 1 A 23 23 SER CB C 23 63.389 63.228 0.161 1 1 209 . 8 1 1 A 24 24 TRP H H 24 7.303 7.664 -0.361 1 1 210 . 8 1 1 A 24 24 TRP HA H 24 5.114 5.115 -0.001 1 1 219 . 8 1 1 A 24 24 TRP CA C 24 54.989 56.022 -1.033 1 1 220 . 8 1 1 A 24 24 TRP CB C 24 32.901 33.424 -0.523 1 1 226 . 8 1 1 A 24 24 TRP N N 24 116.709 122.206 -5.497 1 1 228 . 8 1 1 A 25 25 SER HA H 25 2.990 2.982 0.008 1 1 231 . 8 1 1 A 25 25 SER CA C 25 61.025 60.449 0.576 1 1 232 . 8 1 1 A 25 25 SER CB C 25 61.769 62.125 -0.356 1 1 233 . 8 1 1 A 26 26 CYS HA H 26 4.272 4.165 0.107 1 1 236 . 8 1 1 A 26 26 CYS CA C 26 60.467 63.060 -2.593 1 1 237 . 8 1 1 A 26 26 CYS CB C 26 26.503 27.496 -0.993 1 1 238 . 8 1 1 A 26 26 CYS N N 26 116.694 120.239 -3.545 1 1 239 . 8 1 1 A 27 27 SER HA H 27 4.265 4.070 0.195 1 1 242 . 8 1 1 A 27 27 SER C C 27 176.277 176.035 0.242 1 1 243 . 8 1 1 A 27 27 SER CA C 27 60.808 62.160 -1.352 1 1 244 . 8 1 1 A 27 27 SER CB C 27 62.592 62.652 -0.060 1 1 245 . 8 1 1 A 27 27 SER N N 27 115.000 116.798 -1.798 1 1 246 . 8 1 1 A 28 28 LEU H H 28 6.993 7.492 -0.499 1 1 247 . 8 1 1 A 28 28 LEU HA H 28 3.081 2.323 0.758 1 1 257 . 8 1 1 A 28 28 LEU C C 28 177.247 178.708 -1.461 1 1 258 . 8 1 1 A 28 28 LEU CA C 28 57.825 57.683 0.142 1 1 259 . 8 1 1 A 28 28 LEU CB C 28 40.078 41.433 -1.355 1 1 263 . 8 1 1 A 28 28 LEU N N 28 124.148 122.152 1.996 1 1 264 . 8 1 1 A 29 29 PHE H H 29 8.208 8.174 0.034 1 1 265 . 8 1 1 A 29 29 PHE HA H 29 4.178 3.926 0.252 1 1 273 . 8 1 1 A 29 29 PHE C C 29 178.527 177.848 0.679 1 1 274 . 8 1 1 A 29 29 PHE CA C 29 61.303 61.821 -0.518 1 1 275 . 8 1 1 A 29 29 PHE CB C 29 37.971 39.024 -1.053 1 1 281 . 8 1 1 A 29 29 PHE N N 29 118.075 119.287 -1.212 1 1 282 . 8 1 1 A 30 30 LYS H H 30 7.660 7.979 -0.319 1 1 283 . 8 1 1 A 30 30 LYS HA H 30 3.959 4.169 -0.210 1 1 292 . 8 1 1 A 30 30 LYS C C 30 179.126 178.520 0.606 1 1 293 . 8 1 1 A 30 30 LYS CA C 30 59.586 59.234 0.352 1 1 294 . 8 1 1 A 30 30 LYS CB C 30 32.503 32.049 0.454 1 1 298 . 8 1 1 A 30 30 LYS N N 30 118.194 118.682 -0.488 1 1 299 . 8 1 1 A 31 31 HIS H H 31 7.637 8.337 -0.700 1 1 300 . 8 1 1 A 31 31 HIS HA H 31 4.205 4.323 -0.118 1 1 305 . 8 1 1 A 31 31 HIS C C 31 177.985 176.921 1.064 1 1 306 . 8 1 1 A 31 31 HIS CA C 31 59.463 58.869 0.594 1 1 307 . 8 1 1 A 31 31 HIS CB C 31 28.534 30.196 -1.662 1 1 310 . 8 1 1 A 31 31 HIS N N 31 119.604 119.691 -0.087 1 1 311 . 8 1 1 A 32 32 LEU H H 32 8.690 8.686 0.004 1 1 312 . 8 1 1 A 32 32 LEU HA H 32 3.861 4.000 -0.139 1 1 322 . 8 1 1 A 32 32 LEU C C 32 179.506 179.240 0.266 1 1 323 . 8 1 1 A 32 32 LEU CA C 32 58.447 57.991 0.456 1 1 324 . 8 1 1 A 32 32 LEU CB C 32 41.560 41.348 0.212 1 1 328 . 8 1 1 A 32 32 LEU N N 32 121.283 119.355 1.928 1 1 329 . 8 1 1 A 33 33 ARG H H 33 7.178 8.010 -0.832 1 1 330 . 8 1 1 A 33 33 ARG HA H 33 4.071 4.053 0.018 1 1 337 . 8 1 1 A 33 33 ARG C C 33 178.314 178.171 0.143 1 1 338 . 8 1 1 A 33 33 ARG CA C 33 58.320 58.590 -0.270 1 1 339 . 8 1 1 A 33 33 ARG CB C 33 29.531 30.051 -0.520 1 1 342 . 8 1 1 A 33 33 ARG N N 33 117.400 117.824 -0.424 1 1 343 . 8 1 1 A 34 34 SER H H 34 7.837 8.340 -0.503 1 1 344 . 8 1 1 A 34 34 SER HA H 34 4.196 4.117 0.079 1 1 347 . 8 1 1 A 34 34 SER C C 34 174.873 175.344 -0.471 1 1 348 . 8 1 1 A 34 34 SER CA C 34 60.482 61.308 -0.826 1 1 349 . 8 1 1 A 34 34 SER CB C 34 63.140 62.545 0.595 1 1 350 . 8 1 1 A 34 34 SER N N 34 114.440 116.688 -2.248 1 1 351 . 8 1 1 A 35 35 HIS H H 35 7.204 8.067 -0.863 1 1 352 . 8 1 1 A 35 35 HIS HA H 35 4.773 4.605 0.168 1 1 357 . 8 1 1 A 35 35 HIS C C 35 174.959 177.400 -2.441 1 1 358 . 8 1 1 A 35 35 HIS CA C 35 55.192 57.638 -2.446 1 1 359 . 8 1 1 A 35 35 HIS CB C 35 29.005 31.444 -2.439 1 1 362 . 8 1 1 A 35 35 HIS N N 35 118.479 117.288 1.191 1 1 363 . 8 1 1 A 36 36 GLU H H 36 7.583 8.489 -0.906 1 1 364 . 8 1 1 A 36 36 GLU HA H 36 4.256 3.897 0.359 1 1 369 . 8 1 1 A 36 36 GLU C C 36 176.328 178.472 -2.144 1 1 370 . 8 1 1 A 36 36 GLU CA C 36 56.841 59.198 -2.357 1 1 371 . 8 1 1 A 36 36 GLU CB C 36 30.329 29.408 0.921 1 1 373 . 8 1 1 A 36 36 GLU N N 36 120.262 117.873 2.389 1 1 374 . 8 1 1 A 37 37 ARG H H 37 8.387 7.966 0.421 1 1 375 . 8 1 1 A 37 37 ARG HA H 37 4.453 4.164 0.289 1 1 382 . 8 1 1 A 37 37 ARG C C 37 176.254 176.799 -0.545 1 1 383 . 8 1 1 A 37 37 ARG CA C 37 55.900 58.625 -2.725 1 1 384 . 8 1 1 A 37 37 ARG CB C 37 30.906 29.897 1.009 1 1 387 . 8 1 1 A 37 37 ARG N N 37 122.086 117.899 4.187 1 1 388 . 8 1 1 A 38 38 THR H H 38 8.275 7.457 0.818 1 1 389 . 8 1 1 A 38 38 THR HA H 38 4.328 4.197 0.131 1 1 394 . 8 1 1 A 38 38 THR C C 38 174.006 173.657 0.349 1 1 395 . 8 1 1 A 38 38 THR CA C 38 61.731 64.396 -2.665 1 1 396 . 8 1 1 A 38 38 THR CB C 38 69.937 69.437 0.500 1 1 398 . 8 1 1 A 38 38 THR N N 38 115.922 117.013 -1.091 1 1 399 . 8 1 1 A 39 39 ASP H H 39 8.437 8.515 -0.078 1 1 400 . 8 1 1 A 39 39 ASP HA H 39 4.900 5.162 -0.262 1 1 403 . 8 1 1 A 39 39 ASP C C 39 174.780 174.412 0.368 1 1 404 . 8 1 1 A 39 39 ASP CA C 39 52.198 50.773 1.425 1 1 405 . 8 1 1 A 39 39 ASP CB C 39 41.197 43.113 -1.916 1 1 406 . 8 1 1 A 39 39 ASP N N 39 124.343 126.527 -2.184 1 1 407 . 8 1 1 A 40 40 PRO HA H 40 4.467 4.751 -0.284 1 1 414 . 8 1 1 A 40 40 PRO CA C 40 63.632 62.667 0.965 1 1 415 . 8 1 1 A 40 40 PRO CB C 40 32.113 31.258 0.855 1 1 418 . 8 1 1 A 41 41 SER H H 41 8.481 8.674 -0.193 1 1 419 . 8 1 1 A 41 41 SER HA H 41 4.463 5.198 -0.735 1 1 422 . 8 1 1 A 41 41 SER CA C 41 58.677 56.583 2.094 1 1 423 . 8 1 1 A 41 41 SER CB C 41 63.874 66.127 -2.253 1 1 424 . 8 1 1 A 41 41 SER N N 41 115.801 113.858 1.943 1 1 425 . 8 1 1 A 42 42 GLY H H 42 8.086 8.318 -0.232 1 1 426 . 8 1 1 A 42 42 GLY HA2 H 42 4.173 4.160 0.013 1 1 427 . 8 1 1 A 42 42 GLY HA3 H 42 4.065 4.161 -0.096 1 1 428 . 8 1 1 A 42 42 GLY CA C 42 44.752 44.598 0.154 1 1 429 . 8 1 1 A 42 42 GLY N N 42 110.426 107.026 3.400 1 1 430 . 8 1 1 A 43 43 PRO HA H 43 4.488 4.688 -0.200 1 1 437 . 8 1 1 A 43 43 PRO CA C 43 63.241 62.654 0.587 1 1 438 . 8 1 1 A 43 43 PRO CB C 43 32.157 32.500 -0.343 1 1 1 . 9 1 1 A 4 4 GLY HA2 H 4 4.452 4.194 0.258 1 1 2 . 9 1 1 A 4 4 GLY HA3 H 4 4.452 4.195 0.257 1 1 3 . 9 1 1 A 4 4 GLY C C 4 177.372 174.594 2.778 1 1 4 . 9 1 1 A 5 5 SER H H 5 8.514 8.091 0.423 1 1 5 . 9 1 1 A 5 5 SER HA H 5 4.517 4.475 0.042 1 1 8 . 9 1 1 A 5 5 SER C C 5 174.470 175.246 -0.776 1 1 9 . 9 1 1 A 5 5 SER CA C 5 58.246 58.139 0.107 1 1 10 . 9 1 1 A 5 5 SER CB C 5 63.845 64.705 -0.860 1 1 11 . 9 1 1 A 5 5 SER N N 5 116.459 115.275 1.184 1 1 12 . 9 1 1 A 6 6 SER C C 6 173.892 175.328 -1.436 1 1 13 . 9 1 1 A 6 6 SER CA C 6 58.410 60.886 -2.476 1 1 14 . 9 1 1 A 6 6 SER CB C 6 64.048 63.699 0.349 1 1 15 . 9 1 1 A 6 6 SER N N 6 118.058 118.338 -0.280 1 1 16 . 9 1 1 A 7 7 GLY HA2 H 7 4.032 3.923 0.109 1 1 17 . 9 1 1 A 7 7 GLY HA3 H 7 4.032 3.927 0.105 1 1 18 . 9 1 1 A 7 7 GLY C C 7 174.503 174.976 -0.473 1 1 19 . 9 1 1 A 7 7 GLY CA C 7 45.426 46.680 -1.254 1 1 20 . 9 1 1 A 7 7 GLY N N 7 117.426 107.993 9.433 1 1 21 . 9 1 1 A 8 8 THR H H 8 8.134 7.859 0.275 1 1 22 . 9 1 1 A 8 8 THR HA H 8 4.361 4.216 0.145 1 1 27 . 9 1 1 A 8 8 THR C C 8 175.191 174.419 0.772 1 1 28 . 9 1 1 A 8 8 THR CA C 8 61.847 64.477 -2.630 1 1 29 . 9 1 1 A 8 8 THR CB C 8 69.840 69.773 0.067 1 1 31 . 9 1 1 A 8 8 THR N N 8 112.760 114.732 -1.972 1 1 32 . 9 1 1 A 9 9 GLY H H 9 8.413 7.774 0.639 1 1 33 . 9 1 1 A 9 9 GLY HA2 H 9 3.947 3.942 0.005 1 1 34 . 9 1 1 A 9 9 GLY HA3 H 9 3.900 3.944 -0.044 1 1 35 . 9 1 1 A 9 9 GLY C C 9 174.023 172.300 1.723 1 1 36 . 9 1 1 A 9 9 GLY CA C 9 45.259 44.583 0.676 1 1 37 . 9 1 1 A 9 9 GLY N N 9 110.903 108.796 2.107 1 1 38 . 9 1 1 A 10 10 GLU H H 10 8.200 8.522 -0.322 1 1 39 . 9 1 1 A 10 10 GLU HA H 10 4.168 4.548 -0.380 1 1 44 . 9 1 1 A 10 10 GLU C C 10 176.430 175.757 0.673 1 1 45 . 9 1 1 A 10 10 GLU CA C 10 56.773 55.559 1.214 1 1 46 . 9 1 1 A 10 10 GLU CB C 10 30.405 30.805 -0.400 1 1 48 . 9 1 1 A 10 10 GLU N N 10 120.140 116.422 3.718 1 1 49 . 9 1 1 A 11 11 LYS H H 11 8.325 8.416 -0.091 1 1 50 . 9 1 1 A 11 11 LYS HA H 11 4.496 4.930 -0.434 1 1 59 . 9 1 1 A 11 11 LYS C C 11 174.166 175.587 -1.421 1 1 60 . 9 1 1 A 11 11 LYS CA C 11 53.920 52.603 1.317 1 1 61 . 9 1 1 A 11 11 LYS CB C 11 33.107 35.461 -2.354 1 1 65 . 9 1 1 A 11 11 LYS N N 11 122.011 119.652 2.359 1 1 66 . 9 1 1 A 12 12 PRO HA H 12 4.242 4.249 -0.007 1 1 73 . 9 1 1 A 12 12 PRO C C 12 176.359 176.239 0.120 1 1 74 . 9 1 1 A 12 12 PRO CA C 12 63.623 64.780 -1.157 1 1 75 . 9 1 1 A 12 12 PRO CB C 12 32.138 31.689 0.449 1 1 78 . 9 1 1 A 13 13 PHE H H 13 7.984 7.906 0.078 1 1 79 . 9 1 1 A 13 13 PHE HA H 13 4.695 5.025 -0.330 1 1 87 . 9 1 1 A 13 13 PHE C C 13 174.248 174.989 -0.741 1 1 88 . 9 1 1 A 13 13 PHE CA C 13 56.993 57.402 -0.409 1 1 89 . 9 1 1 A 13 13 PHE CB C 13 39.591 41.603 -2.012 1 1 95 . 9 1 1 A 13 13 PHE N N 13 118.237 117.922 0.315 1 1 96 . 9 1 1 A 14 14 GLN H H 14 8.591 8.887 -0.296 1 1 97 . 9 1 1 A 14 14 GLN HA H 14 5.175 4.976 0.199 1 1 104 . 9 1 1 A 14 14 GLN C C 14 174.744 173.852 0.892 1 1 105 . 9 1 1 A 14 14 GLN CA C 14 54.668 54.508 0.160 1 1 106 . 9 1 1 A 14 14 GLN CB C 14 32.675 32.996 -0.321 1 1 108 . 9 1 1 A 14 14 GLN N N 14 123.552 120.908 2.644 1 1 110 . 9 1 1 A 15 15 CYS H H 15 9.221 8.853 0.368 1 1 111 . 9 1 1 A 15 15 CYS HA H 15 4.576 4.754 -0.178 1 1 114 . 9 1 1 A 15 15 CYS C C 15 177.443 176.290 1.153 1 1 115 . 9 1 1 A 15 15 CYS CA C 15 59.565 57.690 1.875 1 1 116 . 9 1 1 A 15 15 CYS CB C 15 29.940 30.018 -0.078 1 1 117 . 9 1 1 A 15 15 CYS N N 15 128.096 122.344 5.752 1 1 118 . 9 1 1 A 16 16 LYS H H 16 9.439 9.133 0.306 1 1 119 . 9 1 1 A 16 16 LYS HA H 16 4.204 4.366 -0.162 1 1 128 . 9 1 1 A 16 16 LYS C C 16 176.882 176.757 0.125 1 1 129 . 9 1 1 A 16 16 LYS CA C 16 58.170 57.433 0.737 1 1 130 . 9 1 1 A 16 16 LYS CB C 16 32.153 31.999 0.154 1 1 134 . 9 1 1 A 16 16 LYS N N 16 132.264 128.616 3.648 1 1 135 . 9 1 1 A 17 17 GLU H H 17 8.836 7.919 0.917 1 1 136 . 9 1 1 A 17 17 GLU HA H 17 4.201 4.280 -0.079 1 1 141 . 9 1 1 A 17 17 GLU C C 17 177.524 178.054 -0.530 1 1 142 . 9 1 1 A 17 17 GLU CA C 17 58.138 57.703 0.435 1 1 143 . 9 1 1 A 17 17 GLU CB C 17 29.276 30.124 -0.848 1 1 145 . 9 1 1 A 17 17 GLU N N 17 120.919 117.045 3.874 1 1 146 . 9 1 1 A 18 18 CYS H H 18 8.312 8.012 0.300 1 1 147 . 9 1 1 A 18 18 CYS HA H 18 5.162 4.690 0.472 1 1 150 . 9 1 1 A 18 18 CYS C C 18 176.325 175.782 0.543 1 1 151 . 9 1 1 A 18 18 CYS CA C 18 58.284 59.056 -0.772 1 1 152 . 9 1 1 A 18 18 CYS CB C 18 32.594 30.678 1.916 1 1 153 . 9 1 1 A 18 18 CYS N N 18 115.693 114.193 1.500 1 1 154 . 9 1 1 A 19 19 GLY H H 19 8.106 8.258 -0.152 1 1 155 . 9 1 1 A 19 19 GLY HA2 H 19 4.219 3.945 0.274 1 1 156 . 9 1 1 A 19 19 GLY HA3 H 19 3.757 3.952 -0.195 1 1 157 . 9 1 1 A 19 19 GLY C C 19 173.852 174.541 -0.689 1 1 158 . 9 1 1 A 19 19 GLY CA C 19 46.048 45.137 0.911 1 1 159 . 9 1 1 A 19 19 GLY N N 19 113.172 109.891 3.281 1 1 160 . 9 1 1 A 20 20 MET H H 20 7.952 7.649 0.303 1 1 161 . 9 1 1 A 20 20 MET HA H 20 3.997 4.333 -0.336 1 1 169 . 9 1 1 A 20 20 MET C C 20 173.729 176.354 -2.625 1 1 170 . 9 1 1 A 20 20 MET CA C 20 57.756 56.053 1.703 1 1 171 . 9 1 1 A 20 20 MET CB C 20 33.879 33.240 0.639 1 1 174 . 9 1 1 A 20 20 MET N N 20 122.129 121.047 1.082 1 1 175 . 9 1 1 A 21 21 ASN H H 21 7.960 8.596 -0.636 1 1 176 . 9 1 1 A 21 21 ASN HA H 21 5.375 5.550 -0.175 1 1 181 . 9 1 1 A 21 21 ASN C C 21 173.981 174.244 -0.263 1 1 182 . 9 1 1 A 21 21 ASN CA C 21 52.027 51.844 0.183 1 1 183 . 9 1 1 A 21 21 ASN CB C 21 41.679 40.312 1.367 1 1 184 . 9 1 1 A 21 21 ASN N N 21 119.653 122.029 -2.376 1 1 186 . 9 1 1 A 22 22 PHE H H 22 8.724 8.848 -0.124 1 1 187 . 9 1 1 A 22 22 PHE HA H 22 4.722 5.004 -0.282 1 1 195 . 9 1 1 A 22 22 PHE C C 22 175.430 174.983 0.447 1 1 196 . 9 1 1 A 22 22 PHE CA C 22 57.156 57.194 -0.038 1 1 197 . 9 1 1 A 22 22 PHE CB C 22 43.843 43.318 0.525 1 1 203 . 9 1 1 A 22 22 PHE N N 22 116.386 119.892 -3.506 1 1 204 . 9 1 1 A 23 23 SER HA H 23 4.470 4.586 -0.116 1 1 207 . 9 1 1 A 23 23 SER CA C 23 60.762 57.845 2.917 1 1 208 . 9 1 1 A 23 23 SER CB C 23 63.389 62.836 0.553 1 1 209 . 9 1 1 A 24 24 TRP H H 24 7.303 7.724 -0.421 1 1 210 . 9 1 1 A 24 24 TRP HA H 24 5.114 5.080 0.034 1 1 219 . 9 1 1 A 24 24 TRP CA C 24 54.989 55.864 -0.875 1 1 220 . 9 1 1 A 24 24 TRP CB C 24 32.901 34.347 -1.446 1 1 226 . 9 1 1 A 24 24 TRP N N 24 116.709 122.667 -5.958 1 1 228 . 9 1 1 A 25 25 SER HA H 25 2.990 3.391 -0.401 1 1 231 . 9 1 1 A 25 25 SER CA C 25 61.025 58.360 2.665 1 1 232 . 9 1 1 A 25 25 SER CB C 25 61.769 63.713 -1.944 1 1 233 . 9 1 1 A 26 26 CYS HA H 26 4.272 4.092 0.180 1 1 236 . 9 1 1 A 26 26 CYS CA C 26 60.467 63.102 -2.635 1 1 237 . 9 1 1 A 26 26 CYS CB C 26 26.503 27.396 -0.893 1 1 238 . 9 1 1 A 26 26 CYS N N 26 116.694 120.458 -3.764 1 1 239 . 9 1 1 A 27 27 SER HA H 27 4.265 4.091 0.174 1 1 242 . 9 1 1 A 27 27 SER C C 27 176.277 176.310 -0.033 1 1 243 . 9 1 1 A 27 27 SER CA C 27 60.808 62.527 -1.719 1 1 244 . 9 1 1 A 27 27 SER CB C 27 62.592 62.551 0.041 1 1 245 . 9 1 1 A 27 27 SER N N 27 115.000 116.442 -1.442 1 1 246 . 9 1 1 A 28 28 LEU H H 28 6.993 7.955 -0.962 1 1 247 . 9 1 1 A 28 28 LEU HA H 28 3.081 2.669 0.412 1 1 257 . 9 1 1 A 28 28 LEU C C 28 177.247 178.658 -1.411 1 1 258 . 9 1 1 A 28 28 LEU CA C 28 57.825 57.497 0.328 1 1 259 . 9 1 1 A 28 28 LEU CB C 28 40.078 41.446 -1.368 1 1 263 . 9 1 1 A 28 28 LEU N N 28 124.148 122.166 1.982 1 1 264 . 9 1 1 A 29 29 PHE H H 29 8.208 8.721 -0.513 1 1 265 . 9 1 1 A 29 29 PHE HA H 29 4.178 3.941 0.237 1 1 273 . 9 1 1 A 29 29 PHE C C 29 178.527 177.865 0.662 1 1 274 . 9 1 1 A 29 29 PHE CA C 29 61.303 61.374 -0.071 1 1 275 . 9 1 1 A 29 29 PHE CB C 29 37.971 39.523 -1.552 1 1 281 . 9 1 1 A 29 29 PHE N N 29 118.075 119.165 -1.090 1 1 282 . 9 1 1 A 30 30 LYS H H 30 7.660 8.348 -0.688 1 1 283 . 9 1 1 A 30 30 LYS HA H 30 3.959 4.056 -0.097 1 1 292 . 9 1 1 A 30 30 LYS C C 30 179.126 178.554 0.572 1 1 293 . 9 1 1 A 30 30 LYS CA C 30 59.586 59.244 0.342 1 1 294 . 9 1 1 A 30 30 LYS CB C 30 32.503 32.055 0.448 1 1 298 . 9 1 1 A 30 30 LYS N N 30 118.194 118.373 -0.179 1 1 299 . 9 1 1 A 31 31 HIS H H 31 7.637 8.092 -0.455 1 1 300 . 9 1 1 A 31 31 HIS HA H 31 4.205 4.262 -0.057 1 1 305 . 9 1 1 A 31 31 HIS C C 31 177.985 176.973 1.012 1 1 306 . 9 1 1 A 31 31 HIS CA C 31 59.463 59.130 0.333 1 1 307 . 9 1 1 A 31 31 HIS CB C 31 28.534 29.964 -1.430 1 1 310 . 9 1 1 A 31 31 HIS N N 31 119.604 119.730 -0.126 1 1 311 . 9 1 1 A 32 32 LEU H H 32 8.690 8.800 -0.110 1 1 312 . 9 1 1 A 32 32 LEU HA H 32 3.861 4.011 -0.150 1 1 322 . 9 1 1 A 32 32 LEU C C 32 179.506 179.553 -0.047 1 1 323 . 9 1 1 A 32 32 LEU CA C 32 58.447 57.995 0.452 1 1 324 . 9 1 1 A 32 32 LEU CB C 32 41.560 41.322 0.238 1 1 328 . 9 1 1 A 32 32 LEU N N 32 121.283 119.598 1.685 1 1 329 . 9 1 1 A 33 33 ARG H H 33 7.178 7.976 -0.798 1 1 330 . 9 1 1 A 33 33 ARG HA H 33 4.071 3.976 0.095 1 1 337 . 9 1 1 A 33 33 ARG C C 33 178.314 178.217 0.097 1 1 338 . 9 1 1 A 33 33 ARG CA C 33 58.320 58.489 -0.169 1 1 339 . 9 1 1 A 33 33 ARG CB C 33 29.531 29.534 -0.003 1 1 342 . 9 1 1 A 33 33 ARG N N 33 117.400 117.828 -0.428 1 1 343 . 9 1 1 A 34 34 SER H H 34 7.837 8.068 -0.231 1 1 344 . 9 1 1 A 34 34 SER HA H 34 4.196 4.125 0.071 1 1 347 . 9 1 1 A 34 34 SER C C 34 174.873 175.222 -0.349 1 1 348 . 9 1 1 A 34 34 SER CA C 34 60.482 60.346 0.136 1 1 349 . 9 1 1 A 34 34 SER CB C 34 63.140 62.540 0.600 1 1 350 . 9 1 1 A 34 34 SER N N 34 114.440 114.884 -0.444 1 1 351 . 9 1 1 A 35 35 HIS H H 35 7.204 8.033 -0.829 1 1 352 . 9 1 1 A 35 35 HIS HA H 35 4.773 4.541 0.232 1 1 357 . 9 1 1 A 35 35 HIS C C 35 174.959 177.482 -2.523 1 1 358 . 9 1 1 A 35 35 HIS CA C 35 55.192 57.803 -2.611 1 1 359 . 9 1 1 A 35 35 HIS CB C 35 29.005 31.357 -2.352 1 1 362 . 9 1 1 A 35 35 HIS N N 35 118.479 117.394 1.085 1 1 363 . 9 1 1 A 36 36 GLU H H 36 7.583 7.968 -0.385 1 1 364 . 9 1 1 A 36 36 GLU HA H 36 4.256 4.069 0.187 1 1 369 . 9 1 1 A 36 36 GLU C C 36 176.328 176.382 -0.054 1 1 370 . 9 1 1 A 36 36 GLU CA C 36 56.841 58.452 -1.611 1 1 371 . 9 1 1 A 36 36 GLU CB C 36 30.329 29.107 1.222 1 1 373 . 9 1 1 A 36 36 GLU N N 36 120.262 117.113 3.149 1 1 374 . 9 1 1 A 37 37 ARG H H 37 8.387 7.621 0.766 1 1 375 . 9 1 1 A 37 37 ARG HA H 37 4.453 4.933 -0.480 1 1 382 . 9 1 1 A 37 37 ARG C C 37 176.254 174.164 2.090 1 1 383 . 9 1 1 A 37 37 ARG CA C 37 55.900 55.299 0.601 1 1 384 . 9 1 1 A 37 37 ARG CB C 37 30.906 33.647 -2.741 1 1 387 . 9 1 1 A 37 37 ARG N N 37 122.086 119.404 2.682 1 1 388 . 9 1 1 A 38 38 THR H H 38 8.275 8.689 -0.414 1 1 389 . 9 1 1 A 38 38 THR HA H 38 4.328 4.923 -0.595 1 1 394 . 9 1 1 A 38 38 THR C C 38 174.006 173.054 0.952 1 1 395 . 9 1 1 A 38 38 THR CA C 38 61.731 60.685 1.046 1 1 396 . 9 1 1 A 38 38 THR CB C 38 69.937 72.317 -2.380 1 1 398 . 9 1 1 A 38 38 THR N N 38 115.922 119.883 -3.961 1 1 399 . 9 1 1 A 39 39 ASP H H 39 8.437 8.718 -0.281 1 1 400 . 9 1 1 A 39 39 ASP HA H 39 4.900 5.129 -0.229 1 1 403 . 9 1 1 A 39 39 ASP C C 39 174.780 176.133 -1.353 1 1 404 . 9 1 1 A 39 39 ASP CA C 39 52.198 50.779 1.419 1 1 405 . 9 1 1 A 39 39 ASP CB C 39 41.197 41.699 -0.502 1 1 406 . 9 1 1 A 39 39 ASP N N 39 124.343 124.631 -0.288 1 1 407 . 9 1 1 A 40 40 PRO HA H 40 4.467 4.526 -0.059 1 1 414 . 9 1 1 A 40 40 PRO CA C 40 63.632 63.772 -0.140 1 1 415 . 9 1 1 A 40 40 PRO CB C 40 32.113 31.853 0.260 1 1 418 . 9 1 1 A 41 41 SER H H 41 8.481 7.829 0.652 1 1 419 . 9 1 1 A 41 41 SER HA H 41 4.463 4.244 0.219 1 1 422 . 9 1 1 A 41 41 SER CA C 41 58.677 60.284 -1.607 1 1 423 . 9 1 1 A 41 41 SER CB C 41 63.874 62.283 1.591 1 1 424 . 9 1 1 A 41 41 SER N N 41 115.801 115.444 0.357 1 1 425 . 9 1 1 A 42 42 GLY H H 42 8.086 8.505 -0.419 1 1 426 . 9 1 1 A 42 42 GLY HA2 H 42 4.173 4.080 0.093 1 1 427 . 9 1 1 A 42 42 GLY HA3 H 42 4.065 4.082 -0.017 1 1 428 . 9 1 1 A 42 42 GLY CA C 42 44.752 44.827 -0.075 1 1 429 . 9 1 1 A 42 42 GLY N N 42 110.426 114.183 -3.757 1 1 430 . 9 1 1 A 43 43 PRO HA H 43 4.488 4.513 -0.025 1 1 437 . 9 1 1 A 43 43 PRO CA C 43 63.241 62.325 0.916 1 1 438 . 9 1 1 A 43 43 PRO CB C 43 32.157 33.244 -1.087 1 1 1 . 10 1 1 A 4 4 GLY HA2 H 4 4.452 4.123 0.329 1 1 2 . 10 1 1 A 4 4 GLY HA3 H 4 4.452 4.125 0.327 1 1 3 . 10 1 1 A 4 4 GLY C C 4 177.372 173.067 4.305 1 1 4 . 10 1 1 A 5 5 SER H H 5 8.514 8.535 -0.021 1 1 5 . 10 1 1 A 5 5 SER HA H 5 4.517 4.539 -0.022 1 1 8 . 10 1 1 A 5 5 SER C C 5 174.470 174.377 0.093 1 1 9 . 10 1 1 A 5 5 SER CA C 5 58.246 58.620 -0.374 1 1 10 . 10 1 1 A 5 5 SER CB C 5 63.845 63.548 0.297 1 1 11 . 10 1 1 A 5 5 SER N N 5 116.459 114.576 1.883 1 1 12 . 10 1 1 A 6 6 SER C C 6 173.892 173.799 0.093 1 1 13 . 10 1 1 A 6 6 SER CA C 6 58.410 56.495 1.915 1 1 14 . 10 1 1 A 6 6 SER CB C 6 64.048 66.288 -2.240 1 1 15 . 10 1 1 A 6 6 SER N N 6 118.058 115.723 2.335 1 1 16 . 10 1 1 A 7 7 GLY HA2 H 7 4.032 4.119 -0.087 1 1 17 . 10 1 1 A 7 7 GLY HA3 H 7 4.032 4.120 -0.088 1 1 18 . 10 1 1 A 7 7 GLY C C 7 174.503 174.195 0.308 1 1 19 . 10 1 1 A 7 7 GLY CA C 7 45.426 44.669 0.757 1 1 20 . 10 1 1 A 7 7 GLY N N 7 117.426 110.506 6.920 1 1 21 . 10 1 1 A 8 8 THR H H 8 8.134 8.543 -0.409 1 1 22 . 10 1 1 A 8 8 THR HA H 8 4.361 4.479 -0.118 1 1 27 . 10 1 1 A 8 8 THR C C 8 175.191 174.247 0.944 1 1 28 . 10 1 1 A 8 8 THR CA C 8 61.847 63.145 -1.298 1 1 29 . 10 1 1 A 8 8 THR CB C 8 69.840 70.698 -0.858 1 1 31 . 10 1 1 A 8 8 THR N N 8 112.760 116.657 -3.897 1 1 32 . 10 1 1 A 9 9 GLY H H 9 8.413 7.545 0.868 1 1 33 . 10 1 1 A 9 9 GLY HA2 H 9 3.947 4.032 -0.085 1 1 34 . 10 1 1 A 9 9 GLY HA3 H 9 3.900 4.034 -0.134 1 1 35 . 10 1 1 A 9 9 GLY C C 9 174.023 172.088 1.935 1 1 36 . 10 1 1 A 9 9 GLY CA C 9 45.259 46.145 -0.886 1 1 37 . 10 1 1 A 9 9 GLY N N 9 110.903 108.741 2.162 1 1 38 . 10 1 1 A 10 10 GLU H H 10 8.200 8.438 -0.238 1 1 39 . 10 1 1 A 10 10 GLU HA H 10 4.168 4.656 -0.488 1 1 44 . 10 1 1 A 10 10 GLU C C 10 176.430 175.740 0.690 1 1 45 . 10 1 1 A 10 10 GLU CA C 10 56.773 55.999 0.774 1 1 46 . 10 1 1 A 10 10 GLU CB C 10 30.405 30.665 -0.260 1 1 48 . 10 1 1 A 10 10 GLU N N 10 120.140 121.788 -1.648 1 1 49 . 10 1 1 A 11 11 LYS H H 11 8.325 8.327 -0.002 1 1 50 . 10 1 1 A 11 11 LYS HA H 11 4.496 4.827 -0.331 1 1 59 . 10 1 1 A 11 11 LYS C C 11 174.166 175.853 -1.687 1 1 60 . 10 1 1 A 11 11 LYS CA C 11 53.920 52.969 0.951 1 1 61 . 10 1 1 A 11 11 LYS CB C 11 33.107 34.827 -1.720 1 1 65 . 10 1 1 A 11 11 LYS N N 11 122.011 120.467 1.544 1 1 66 . 10 1 1 A 12 12 PRO HA H 12 4.242 4.235 0.007 1 1 73 . 10 1 1 A 12 12 PRO C C 12 176.359 176.192 0.167 1 1 74 . 10 1 1 A 12 12 PRO CA C 12 63.623 64.804 -1.181 1 1 75 . 10 1 1 A 12 12 PRO CB C 12 32.138 31.587 0.551 1 1 78 . 10 1 1 A 13 13 PHE H H 13 7.984 7.824 0.160 1 1 79 . 10 1 1 A 13 13 PHE HA H 13 4.695 5.044 -0.349 1 1 87 . 10 1 1 A 13 13 PHE C C 13 174.248 174.804 -0.556 1 1 88 . 10 1 1 A 13 13 PHE CA C 13 56.993 57.424 -0.431 1 1 89 . 10 1 1 A 13 13 PHE CB C 13 39.591 41.673 -2.082 1 1 95 . 10 1 1 A 13 13 PHE N N 13 118.237 117.930 0.307 1 1 96 . 10 1 1 A 14 14 GLN H H 14 8.591 8.838 -0.247 1 1 97 . 10 1 1 A 14 14 GLN HA H 14 5.175 4.966 0.209 1 1 104 . 10 1 1 A 14 14 GLN C C 14 174.744 174.047 0.697 1 1 105 . 10 1 1 A 14 14 GLN CA C 14 54.668 54.887 -0.219 1 1 106 . 10 1 1 A 14 14 GLN CB C 14 32.675 33.074 -0.399 1 1 108 . 10 1 1 A 14 14 GLN N N 14 123.552 120.752 2.800 1 1 110 . 10 1 1 A 15 15 CYS H H 15 9.221 9.091 0.130 1 1 111 . 10 1 1 A 15 15 CYS HA H 15 4.576 4.753 -0.177 1 1 114 . 10 1 1 A 15 15 CYS C C 15 177.443 175.486 1.957 1 1 115 . 10 1 1 A 15 15 CYS CA C 15 59.565 58.627 0.938 1 1 116 . 10 1 1 A 15 15 CYS CB C 15 29.940 29.006 0.934 1 1 117 . 10 1 1 A 15 15 CYS N N 15 128.096 123.290 4.806 1 1 118 . 10 1 1 A 16 16 LYS H H 16 9.439 9.069 0.370 1 1 119 . 10 1 1 A 16 16 LYS HA H 16 4.204 4.443 -0.239 1 1 128 . 10 1 1 A 16 16 LYS C C 16 176.882 176.942 -0.060 1 1 129 . 10 1 1 A 16 16 LYS CA C 16 58.170 56.635 1.535 1 1 130 . 10 1 1 A 16 16 LYS CB C 16 32.153 32.536 -0.383 1 1 134 . 10 1 1 A 16 16 LYS N N 16 132.264 127.019 5.245 1 1 135 . 10 1 1 A 17 17 GLU H H 17 8.836 7.502 1.334 1 1 136 . 10 1 1 A 17 17 GLU HA H 17 4.201 4.191 0.010 1 1 141 . 10 1 1 A 17 17 GLU C C 17 177.524 178.104 -0.580 1 1 142 . 10 1 1 A 17 17 GLU CA C 17 58.138 58.172 -0.034 1 1 143 . 10 1 1 A 17 17 GLU CB C 17 29.276 29.993 -0.717 1 1 145 . 10 1 1 A 17 17 GLU N N 17 120.919 117.502 3.417 1 1 146 . 10 1 1 A 18 18 CYS H H 18 8.312 8.025 0.287 1 1 147 . 10 1 1 A 18 18 CYS HA H 18 5.162 4.719 0.443 1 1 150 . 10 1 1 A 18 18 CYS C C 18 176.325 175.671 0.654 1 1 151 . 10 1 1 A 18 18 CYS CA C 18 58.284 59.041 -0.757 1 1 152 . 10 1 1 A 18 18 CYS CB C 18 32.594 30.508 2.086 1 1 153 . 10 1 1 A 18 18 CYS N N 18 115.693 114.256 1.437 1 1 154 . 10 1 1 A 19 19 GLY H H 19 8.106 8.294 -0.188 1 1 155 . 10 1 1 A 19 19 GLY HA2 H 19 4.219 3.960 0.259 1 1 156 . 10 1 1 A 19 19 GLY HA3 H 19 3.757 3.967 -0.210 1 1 157 . 10 1 1 A 19 19 GLY C C 19 173.852 174.549 -0.697 1 1 158 . 10 1 1 A 19 19 GLY CA C 19 46.048 45.158 0.890 1 1 159 . 10 1 1 A 19 19 GLY N N 19 113.172 109.927 3.245 1 1 160 . 10 1 1 A 20 20 MET H H 20 7.952 7.655 0.297 1 1 161 . 10 1 1 A 20 20 MET HA H 20 3.997 4.338 -0.341 1 1 169 . 10 1 1 A 20 20 MET C C 20 173.729 176.482 -2.753 1 1 170 . 10 1 1 A 20 20 MET CA C 20 57.756 56.045 1.711 1 1 171 . 10 1 1 A 20 20 MET CB C 20 33.879 33.279 0.600 1 1 174 . 10 1 1 A 20 20 MET N N 20 122.129 121.039 1.090 1 1 175 . 10 1 1 A 21 21 ASN H H 21 7.960 8.565 -0.605 1 1 176 . 10 1 1 A 21 21 ASN HA H 21 5.375 5.676 -0.301 1 1 181 . 10 1 1 A 21 21 ASN C C 21 173.981 174.096 -0.115 1 1 182 . 10 1 1 A 21 21 ASN CA C 21 52.027 51.834 0.193 1 1 183 . 10 1 1 A 21 21 ASN CB C 21 41.679 40.264 1.415 1 1 184 . 10 1 1 A 21 21 ASN N N 21 119.653 122.001 -2.348 1 1 186 . 10 1 1 A 22 22 PHE H H 22 8.724 8.650 0.074 1 1 187 . 10 1 1 A 22 22 PHE HA H 22 4.722 5.001 -0.279 1 1 195 . 10 1 1 A 22 22 PHE C C 22 175.430 175.906 -0.476 1 1 196 . 10 1 1 A 22 22 PHE CA C 22 57.156 56.745 0.411 1 1 197 . 10 1 1 A 22 22 PHE CB C 22 43.843 42.347 1.496 1 1 203 . 10 1 1 A 22 22 PHE N N 22 116.386 119.287 -2.901 1 1 204 . 10 1 1 A 23 23 SER HA H 23 4.470 4.176 0.294 1 1 207 . 10 1 1 A 23 23 SER CA C 23 60.762 62.827 -2.065 1 1 208 . 10 1 1 A 23 23 SER CB C 23 63.389 62.520 0.869 1 1 209 . 10 1 1 A 24 24 TRP H H 24 7.303 7.745 -0.442 1 1 210 . 10 1 1 A 24 24 TRP HA H 24 5.114 4.737 0.377 1 1 219 . 10 1 1 A 24 24 TRP CA C 24 54.989 57.709 -2.720 1 1 220 . 10 1 1 A 24 24 TRP CB C 24 32.901 30.633 2.268 1 1 226 . 10 1 1 A 24 24 TRP N N 24 116.709 120.870 -4.161 1 1 228 . 10 1 1 A 25 25 SER HA H 25 2.990 2.653 0.337 1 1 231 . 10 1 1 A 25 25 SER CA C 25 61.025 59.721 1.304 1 1 232 . 10 1 1 A 25 25 SER CB C 25 61.769 62.924 -1.155 1 1 233 . 10 1 1 A 26 26 CYS HA H 26 4.272 4.114 0.158 1 1 236 . 10 1 1 A 26 26 CYS CA C 26 60.467 63.058 -2.591 1 1 237 . 10 1 1 A 26 26 CYS CB C 26 26.503 26.299 0.204 1 1 238 . 10 1 1 A 26 26 CYS N N 26 116.694 120.468 -3.774 1 1 239 . 10 1 1 A 27 27 SER HA H 27 4.265 4.165 0.100 1 1 242 . 10 1 1 A 27 27 SER C C 27 176.277 176.627 -0.350 1 1 243 . 10 1 1 A 27 27 SER CA C 27 60.808 62.024 -1.216 1 1 244 . 10 1 1 A 27 27 SER CB C 27 62.592 63.007 -0.415 1 1 245 . 10 1 1 A 27 27 SER N N 27 115.000 116.485 -1.485 1 1 246 . 10 1 1 A 28 28 LEU H H 28 6.993 7.625 -0.632 1 1 247 . 10 1 1 A 28 28 LEU HA H 28 3.081 2.788 0.293 1 1 257 . 10 1 1 A 28 28 LEU C C 28 177.247 178.469 -1.222 1 1 258 . 10 1 1 A 28 28 LEU CA C 28 57.825 57.851 -0.026 1 1 259 . 10 1 1 A 28 28 LEU CB C 28 40.078 41.667 -1.589 1 1 263 . 10 1 1 A 28 28 LEU N N 28 124.148 123.519 0.629 1 1 264 . 10 1 1 A 29 29 PHE H H 29 8.208 8.224 -0.016 1 1 265 . 10 1 1 A 29 29 PHE HA H 29 4.178 3.907 0.271 1 1 273 . 10 1 1 A 29 29 PHE C C 29 178.527 177.784 0.743 1 1 274 . 10 1 1 A 29 29 PHE CA C 29 61.303 61.501 -0.198 1 1 275 . 10 1 1 A 29 29 PHE CB C 29 37.971 39.401 -1.430 1 1 281 . 10 1 1 A 29 29 PHE N N 29 118.075 119.349 -1.274 1 1 282 . 10 1 1 A 30 30 LYS H H 30 7.660 7.961 -0.301 1 1 283 . 10 1 1 A 30 30 LYS HA H 30 3.959 4.112 -0.153 1 1 292 . 10 1 1 A 30 30 LYS C C 30 179.126 178.761 0.365 1 1 293 . 10 1 1 A 30 30 LYS CA C 30 59.586 59.275 0.311 1 1 294 . 10 1 1 A 30 30 LYS CB C 30 32.503 32.056 0.447 1 1 298 . 10 1 1 A 30 30 LYS N N 30 118.194 118.355 -0.161 1 1 299 . 10 1 1 A 31 31 HIS H H 31 7.637 8.271 -0.634 1 1 300 . 10 1 1 A 31 31 HIS HA H 31 4.205 4.255 -0.050 1 1 305 . 10 1 1 A 31 31 HIS C C 31 177.985 177.170 0.815 1 1 306 . 10 1 1 A 31 31 HIS CA C 31 59.463 59.210 0.253 1 1 307 . 10 1 1 A 31 31 HIS CB C 31 28.534 29.653 -1.119 1 1 310 . 10 1 1 A 31 31 HIS N N 31 119.604 119.615 -0.011 1 1 311 . 10 1 1 A 32 32 LEU H H 32 8.690 8.727 -0.037 1 1 312 . 10 1 1 A 32 32 LEU HA H 32 3.861 3.982 -0.121 1 1 322 . 10 1 1 A 32 32 LEU C C 32 179.506 179.479 0.027 1 1 323 . 10 1 1 A 32 32 LEU CA C 32 58.447 58.127 0.320 1 1 324 . 10 1 1 A 32 32 LEU CB C 32 41.560 41.301 0.259 1 1 328 . 10 1 1 A 32 32 LEU N N 32 121.283 119.482 1.801 1 1 329 . 10 1 1 A 33 33 ARG H H 33 7.178 7.921 -0.743 1 1 330 . 10 1 1 A 33 33 ARG HA H 33 4.071 4.033 0.038 1 1 337 . 10 1 1 A 33 33 ARG C C 33 178.314 178.343 -0.029 1 1 338 . 10 1 1 A 33 33 ARG CA C 33 58.320 58.480 -0.160 1 1 339 . 10 1 1 A 33 33 ARG CB C 33 29.531 30.129 -0.598 1 1 342 . 10 1 1 A 33 33 ARG N N 33 117.400 118.198 -0.798 1 1 343 . 10 1 1 A 34 34 SER H H 34 7.837 8.310 -0.473 1 1 344 . 10 1 1 A 34 34 SER HA H 34 4.196 4.055 0.141 1 1 347 . 10 1 1 A 34 34 SER C C 34 174.873 175.485 -0.612 1 1 348 . 10 1 1 A 34 34 SER CA C 34 60.482 61.542 -1.060 1 1 349 . 10 1 1 A 34 34 SER CB C 34 63.140 62.723 0.417 1 1 350 . 10 1 1 A 34 34 SER N N 34 114.440 116.705 -2.265 1 1 351 . 10 1 1 A 35 35 HIS H H 35 7.204 7.784 -0.580 1 1 352 . 10 1 1 A 35 35 HIS HA H 35 4.773 4.499 0.274 1 1 357 . 10 1 1 A 35 35 HIS C C 35 174.959 177.377 -2.418 1 1 358 . 10 1 1 A 35 35 HIS CA C 35 55.192 58.035 -2.843 1 1 359 . 10 1 1 A 35 35 HIS CB C 35 29.005 31.196 -2.191 1 1 362 . 10 1 1 A 35 35 HIS N N 35 118.479 116.971 1.508 1 1 363 . 10 1 1 A 36 36 GLU H H 36 7.583 8.737 -1.154 1 1 364 . 10 1 1 A 36 36 GLU HA H 36 4.256 4.017 0.239 1 1 369 . 10 1 1 A 36 36 GLU C C 36 176.328 176.015 0.313 1 1 370 . 10 1 1 A 36 36 GLU CA C 36 56.841 58.694 -1.853 1 1 371 . 10 1 1 A 36 36 GLU CB C 36 30.329 29.174 1.155 1 1 373 . 10 1 1 A 36 36 GLU N N 36 120.262 116.504 3.758 1 1 374 . 10 1 1 A 37 37 ARG H H 37 8.387 7.868 0.519 1 1 375 . 10 1 1 A 37 37 ARG HA H 37 4.453 4.832 -0.379 1 1 382 . 10 1 1 A 37 37 ARG C C 37 176.254 175.127 1.127 1 1 383 . 10 1 1 A 37 37 ARG CA C 37 55.900 54.832 1.068 1 1 384 . 10 1 1 A 37 37 ARG CB C 37 30.906 31.776 -0.870 1 1 387 . 10 1 1 A 37 37 ARG N N 37 122.086 120.510 1.576 1 1 388 . 10 1 1 A 38 38 THR H H 38 8.275 8.910 -0.635 1 1 389 . 10 1 1 A 38 38 THR HA H 38 4.328 4.784 -0.456 1 1 394 . 10 1 1 A 38 38 THR C C 38 174.006 172.809 1.197 1 1 395 . 10 1 1 A 38 38 THR CA C 38 61.731 60.671 1.060 1 1 396 . 10 1 1 A 38 38 THR CB C 38 69.937 72.247 -2.310 1 1 398 . 10 1 1 A 38 38 THR N N 38 115.922 121.463 -5.541 1 1 399 . 10 1 1 A 39 39 ASP H H 39 8.437 8.926 -0.489 1 1 400 . 10 1 1 A 39 39 ASP HA H 39 4.900 5.051 -0.151 1 1 403 . 10 1 1 A 39 39 ASP C C 39 174.780 173.567 1.213 1 1 404 . 10 1 1 A 39 39 ASP CA C 39 52.198 50.674 1.524 1 1 405 . 10 1 1 A 39 39 ASP CB C 39 41.197 42.745 -1.548 1 1 406 . 10 1 1 A 39 39 ASP N N 39 124.343 124.349 -0.006 1 1 407 . 10 1 1 A 40 40 PRO HA H 40 4.467 4.629 -0.162 1 1 414 . 10 1 1 A 40 40 PRO CA C 40 63.632 62.815 0.817 1 1 415 . 10 1 1 A 40 40 PRO CB C 40 32.113 32.092 0.021 1 1 418 . 10 1 1 A 41 41 SER H H 41 8.481 8.640 -0.159 1 1 419 . 10 1 1 A 41 41 SER HA H 41 4.463 4.845 -0.382 1 1 422 . 10 1 1 A 41 41 SER CA C 41 58.677 58.611 0.066 1 1 423 . 10 1 1 A 41 41 SER CB C 41 63.874 64.269 -0.395 1 1 424 . 10 1 1 A 41 41 SER N N 41 115.801 119.796 -3.995 1 1 425 . 10 1 1 A 42 42 GLY H H 42 8.086 8.622 -0.536 1 1 426 . 10 1 1 A 42 42 GLY HA2 H 42 4.173 4.032 0.141 1 1 427 . 10 1 1 A 42 42 GLY HA3 H 42 4.065 4.032 0.033 1 1 428 . 10 1 1 A 42 42 GLY CA C 42 44.752 44.843 -0.091 1 1 429 . 10 1 1 A 42 42 GLY N N 42 110.426 111.402 -0.976 1 1 430 . 10 1 1 A 43 43 PRO HA H 43 4.488 4.659 -0.171 1 1 437 . 10 1 1 A 43 43 PRO CA C 43 63.241 62.334 0.907 1 1 438 . 10 1 1 A 43 43 PRO CB C 43 32.157 29.673 2.484 1 1 1 . 11 1 1 A 4 4 GLY HA2 H 4 4.452 3.986 0.466 1 1 2 . 11 1 1 A 4 4 GLY HA3 H 4 4.452 3.986 0.466 1 1 3 . 11 1 1 A 4 4 GLY C C 4 177.372 173.456 3.916 1 1 4 . 11 1 1 A 5 5 SER H H 5 8.514 8.740 -0.226 1 1 5 . 11 1 1 A 5 5 SER HA H 5 4.517 4.512 0.005 1 1 8 . 11 1 1 A 5 5 SER C C 5 174.470 174.369 0.101 1 1 9 . 11 1 1 A 5 5 SER CA C 5 58.246 58.433 -0.187 1 1 10 . 11 1 1 A 5 5 SER CB C 5 63.845 64.087 -0.242 1 1 11 . 11 1 1 A 5 5 SER N N 5 116.459 121.682 -5.223 1 1 12 . 11 1 1 A 6 6 SER C C 6 173.892 173.861 0.031 1 1 13 . 11 1 1 A 6 6 SER CA C 6 58.410 57.411 0.999 1 1 14 . 11 1 1 A 6 6 SER CB C 6 64.048 64.930 -0.882 1 1 15 . 11 1 1 A 6 6 SER N N 6 118.058 119.426 -1.368 1 1 16 . 11 1 1 A 7 7 GLY HA2 H 7 4.032 4.174 -0.142 1 1 17 . 11 1 1 A 7 7 GLY HA3 H 7 4.032 4.175 -0.143 1 1 18 . 11 1 1 A 7 7 GLY C C 7 174.503 172.201 2.302 1 1 19 . 11 1 1 A 7 7 GLY CA C 7 45.426 44.694 0.732 1 1 20 . 11 1 1 A 7 7 GLY N N 7 117.426 114.285 3.141 1 1 21 . 11 1 1 A 8 8 THR H H 8 8.134 8.666 -0.532 1 1 22 . 11 1 1 A 8 8 THR HA H 8 4.361 4.659 -0.298 1 1 27 . 11 1 1 A 8 8 THR C C 8 175.191 173.685 1.506 1 1 28 . 11 1 1 A 8 8 THR CA C 8 61.847 62.140 -0.293 1 1 29 . 11 1 1 A 8 8 THR CB C 8 69.840 69.731 0.109 1 1 31 . 11 1 1 A 8 8 THR N N 8 112.760 118.970 -6.210 1 1 32 . 11 1 1 A 9 9 GLY H H 9 8.413 8.198 0.215 1 1 33 . 11 1 1 A 9 9 GLY HA2 H 9 3.947 4.109 -0.162 1 1 34 . 11 1 1 A 9 9 GLY HA3 H 9 3.900 4.111 -0.211 1 1 35 . 11 1 1 A 9 9 GLY C C 9 174.023 171.398 2.625 1 1 36 . 11 1 1 A 9 9 GLY CA C 9 45.259 45.783 -0.524 1 1 37 . 11 1 1 A 9 9 GLY N N 9 110.903 111.012 -0.109 1 1 38 . 11 1 1 A 10 10 GLU H H 10 8.200 8.459 -0.259 1 1 39 . 11 1 1 A 10 10 GLU HA H 10 4.168 5.143 -0.975 1 1 44 . 11 1 1 A 10 10 GLU C C 10 176.430 175.050 1.380 1 1 45 . 11 1 1 A 10 10 GLU CA C 10 56.773 55.136 1.637 1 1 46 . 11 1 1 A 10 10 GLU CB C 10 30.405 32.853 -2.448 1 1 48 . 11 1 1 A 10 10 GLU N N 10 120.140 120.872 -0.732 1 1 49 . 11 1 1 A 11 11 LYS H H 11 8.325 8.407 -0.082 1 1 50 . 11 1 1 A 11 11 LYS HA H 11 4.496 4.945 -0.449 1 1 59 . 11 1 1 A 11 11 LYS C C 11 174.166 175.599 -1.433 1 1 60 . 11 1 1 A 11 11 LYS CA C 11 53.920 52.709 1.211 1 1 61 . 11 1 1 A 11 11 LYS CB C 11 33.107 35.291 -2.184 1 1 65 . 11 1 1 A 11 11 LYS N N 11 122.011 126.153 -4.142 1 1 66 . 11 1 1 A 12 12 PRO HA H 12 4.242 4.240 0.002 1 1 73 . 11 1 1 A 12 12 PRO C C 12 176.359 176.184 0.175 1 1 74 . 11 1 1 A 12 12 PRO CA C 12 63.623 64.769 -1.146 1 1 75 . 11 1 1 A 12 12 PRO CB C 12 32.138 31.631 0.507 1 1 78 . 11 1 1 A 13 13 PHE H H 13 7.984 7.834 0.150 1 1 79 . 11 1 1 A 13 13 PHE HA H 13 4.695 5.050 -0.355 1 1 87 . 11 1 1 A 13 13 PHE C C 13 174.248 174.903 -0.655 1 1 88 . 11 1 1 A 13 13 PHE CA C 13 56.993 57.383 -0.390 1 1 89 . 11 1 1 A 13 13 PHE CB C 13 39.591 41.548 -1.957 1 1 95 . 11 1 1 A 13 13 PHE N N 13 118.237 117.951 0.286 1 1 96 . 11 1 1 A 14 14 GLN H H 14 8.591 8.791 -0.200 1 1 97 . 11 1 1 A 14 14 GLN HA H 14 5.175 5.086 0.089 1 1 104 . 11 1 1 A 14 14 GLN C C 14 174.744 173.874 0.870 1 1 105 . 11 1 1 A 14 14 GLN CA C 14 54.668 55.273 -0.605 1 1 106 . 11 1 1 A 14 14 GLN CB C 14 32.675 33.293 -0.618 1 1 108 . 11 1 1 A 14 14 GLN N N 14 123.552 120.412 3.140 1 1 110 . 11 1 1 A 15 15 CYS H H 15 9.221 9.038 0.183 1 1 111 . 11 1 1 A 15 15 CYS HA H 15 4.576 4.703 -0.127 1 1 114 . 11 1 1 A 15 15 CYS C C 15 177.443 176.083 1.360 1 1 115 . 11 1 1 A 15 15 CYS CA C 15 59.565 57.858 1.707 1 1 116 . 11 1 1 A 15 15 CYS CB C 15 29.940 28.578 1.362 1 1 117 . 11 1 1 A 15 15 CYS N N 15 128.096 122.687 5.409 1 1 118 . 11 1 1 A 16 16 LYS H H 16 9.439 8.965 0.474 1 1 119 . 11 1 1 A 16 16 LYS HA H 16 4.204 4.225 -0.021 1 1 128 . 11 1 1 A 16 16 LYS C C 16 176.882 177.324 -0.442 1 1 129 . 11 1 1 A 16 16 LYS CA C 16 58.170 58.265 -0.095 1 1 130 . 11 1 1 A 16 16 LYS CB C 16 32.153 32.252 -0.099 1 1 134 . 11 1 1 A 16 16 LYS N N 16 132.264 127.804 4.460 1 1 135 . 11 1 1 A 17 17 GLU H H 17 8.836 7.961 0.875 1 1 136 . 11 1 1 A 17 17 GLU HA H 17 4.201 4.183 0.018 1 1 141 . 11 1 1 A 17 17 GLU C C 17 177.524 178.141 -0.617 1 1 142 . 11 1 1 A 17 17 GLU CA C 17 58.138 58.182 -0.044 1 1 143 . 11 1 1 A 17 17 GLU CB C 17 29.276 30.018 -0.742 1 1 145 . 11 1 1 A 17 17 GLU N N 17 120.919 117.742 3.177 1 1 146 . 11 1 1 A 18 18 CYS H H 18 8.312 8.030 0.282 1 1 147 . 11 1 1 A 18 18 CYS HA H 18 5.162 4.692 0.470 1 1 150 . 11 1 1 A 18 18 CYS C C 18 176.325 175.929 0.396 1 1 151 . 11 1 1 A 18 18 CYS CA C 18 58.284 58.974 -0.690 1 1 152 . 11 1 1 A 18 18 CYS CB C 18 32.594 30.624 1.970 1 1 153 . 11 1 1 A 18 18 CYS N N 18 115.693 114.529 1.164 1 1 154 . 11 1 1 A 19 19 GLY H H 19 8.106 8.330 -0.224 1 1 155 . 11 1 1 A 19 19 GLY HA2 H 19 4.219 3.942 0.277 1 1 156 . 11 1 1 A 19 19 GLY HA3 H 19 3.757 3.949 -0.192 1 1 157 . 11 1 1 A 19 19 GLY C C 19 173.852 174.704 -0.852 1 1 158 . 11 1 1 A 19 19 GLY CA C 19 46.048 45.145 0.903 1 1 159 . 11 1 1 A 19 19 GLY N N 19 113.172 109.971 3.201 1 1 160 . 11 1 1 A 20 20 MET H H 20 7.952 7.661 0.291 1 1 161 . 11 1 1 A 20 20 MET HA H 20 3.997 4.334 -0.337 1 1 169 . 11 1 1 A 20 20 MET C C 20 173.729 176.408 -2.679 1 1 170 . 11 1 1 A 20 20 MET CA C 20 57.756 56.203 1.553 1 1 171 . 11 1 1 A 20 20 MET CB C 20 33.879 33.181 0.698 1 1 174 . 11 1 1 A 20 20 MET N N 20 122.129 121.137 0.992 1 1 175 . 11 1 1 A 21 21 ASN H H 21 7.960 8.579 -0.619 1 1 176 . 11 1 1 A 21 21 ASN HA H 21 5.375 5.489 -0.114 1 1 181 . 11 1 1 A 21 21 ASN C C 21 173.981 174.366 -0.385 1 1 182 . 11 1 1 A 21 21 ASN CA C 21 52.027 51.927 0.100 1 1 183 . 11 1 1 A 21 21 ASN CB C 21 41.679 40.292 1.387 1 1 184 . 11 1 1 A 21 21 ASN N N 21 119.653 121.575 -1.922 1 1 186 . 11 1 1 A 22 22 PHE H H 22 8.724 8.609 0.115 1 1 187 . 11 1 1 A 22 22 PHE HA H 22 4.722 4.989 -0.267 1 1 195 . 11 1 1 A 22 22 PHE C C 22 175.430 176.022 -0.592 1 1 196 . 11 1 1 A 22 22 PHE CA C 22 57.156 56.736 0.420 1 1 197 . 11 1 1 A 22 22 PHE CB C 22 43.843 42.143 1.700 1 1 203 . 11 1 1 A 22 22 PHE N N 22 116.386 119.521 -3.135 1 1 204 . 11 1 1 A 23 23 SER HA H 23 4.470 4.196 0.274 1 1 207 . 11 1 1 A 23 23 SER CA C 23 60.762 62.904 -2.142 1 1 208 . 11 1 1 A 23 23 SER CB C 23 63.389 62.609 0.780 1 1 209 . 11 1 1 A 24 24 TRP H H 24 7.303 7.854 -0.551 1 1 210 . 11 1 1 A 24 24 TRP HA H 24 5.114 4.808 0.306 1 1 219 . 11 1 1 A 24 24 TRP CA C 24 54.989 57.437 -2.448 1 1 220 . 11 1 1 A 24 24 TRP CB C 24 32.901 30.591 2.310 1 1 226 . 11 1 1 A 24 24 TRP N N 24 116.709 120.926 -4.217 1 1 228 . 11 1 1 A 25 25 SER HA H 25 2.990 2.975 0.015 1 1 231 . 11 1 1 A 25 25 SER CA C 25 61.025 58.285 2.740 1 1 232 . 11 1 1 A 25 25 SER CB C 25 61.769 63.718 -1.949 1 1 233 . 11 1 1 A 26 26 CYS HA H 26 4.272 4.135 0.137 1 1 236 . 11 1 1 A 26 26 CYS CA C 26 60.467 63.178 -2.711 1 1 237 . 11 1 1 A 26 26 CYS CB C 26 26.503 27.966 -1.463 1 1 238 . 11 1 1 A 26 26 CYS N N 26 116.694 120.386 -3.692 1 1 239 . 11 1 1 A 27 27 SER HA H 27 4.265 4.044 0.221 1 1 242 . 11 1 1 A 27 27 SER C C 27 176.277 176.791 -0.514 1 1 243 . 11 1 1 A 27 27 SER CA C 27 60.808 61.560 -0.752 1 1 244 . 11 1 1 A 27 27 SER CB C 27 62.592 63.236 -0.644 1 1 245 . 11 1 1 A 27 27 SER N N 27 115.000 115.760 -0.760 1 1 246 . 11 1 1 A 28 28 LEU H H 28 6.993 7.865 -0.872 1 1 247 . 11 1 1 A 28 28 LEU HA H 28 3.081 2.507 0.574 1 1 257 . 11 1 1 A 28 28 LEU C C 28 177.247 178.635 -1.388 1 1 258 . 11 1 1 A 28 28 LEU CA C 28 57.825 57.713 0.112 1 1 259 . 11 1 1 A 28 28 LEU CB C 28 40.078 41.471 -1.393 1 1 263 . 11 1 1 A 28 28 LEU N N 28 124.148 121.864 2.284 1 1 264 . 11 1 1 A 29 29 PHE H H 29 8.208 8.587 -0.379 1 1 265 . 11 1 1 A 29 29 PHE HA H 29 4.178 3.909 0.269 1 1 273 . 11 1 1 A 29 29 PHE C C 29 178.527 177.923 0.604 1 1 274 . 11 1 1 A 29 29 PHE CA C 29 61.303 61.928 -0.625 1 1 275 . 11 1 1 A 29 29 PHE CB C 29 37.971 39.221 -1.250 1 1 281 . 11 1 1 A 29 29 PHE N N 29 118.075 119.291 -1.216 1 1 282 . 11 1 1 A 30 30 LYS H H 30 7.660 7.777 -0.117 1 1 283 . 11 1 1 A 30 30 LYS HA H 30 3.959 4.092 -0.133 1 1 292 . 11 1 1 A 30 30 LYS C C 30 179.126 178.822 0.304 1 1 293 . 11 1 1 A 30 30 LYS CA C 30 59.586 59.254 0.332 1 1 294 . 11 1 1 A 30 30 LYS CB C 30 32.503 31.986 0.517 1 1 298 . 11 1 1 A 30 30 LYS N N 30 118.194 117.859 0.335 1 1 299 . 11 1 1 A 31 31 HIS H H 31 7.637 8.218 -0.581 1 1 300 . 11 1 1 A 31 31 HIS HA H 31 4.205 4.259 -0.054 1 1 305 . 11 1 1 A 31 31 HIS C C 31 177.985 176.941 1.044 1 1 306 . 11 1 1 A 31 31 HIS CA C 31 59.463 59.130 0.333 1 1 307 . 11 1 1 A 31 31 HIS CB C 31 28.534 30.041 -1.507 1 1 310 . 11 1 1 A 31 31 HIS N N 31 119.604 119.748 -0.144 1 1 311 . 11 1 1 A 32 32 LEU H H 32 8.690 8.665 0.025 1 1 312 . 11 1 1 A 32 32 LEU HA H 32 3.861 3.979 -0.118 1 1 322 . 11 1 1 A 32 32 LEU C C 32 179.506 179.408 0.098 1 1 323 . 11 1 1 A 32 32 LEU CA C 32 58.447 58.052 0.395 1 1 324 . 11 1 1 A 32 32 LEU CB C 32 41.560 41.413 0.147 1 1 328 . 11 1 1 A 32 32 LEU N N 32 121.283 119.291 1.992 1 1 329 . 11 1 1 A 33 33 ARG H H 33 7.178 7.957 -0.779 1 1 330 . 11 1 1 A 33 33 ARG HA H 33 4.071 3.998 0.073 1 1 337 . 11 1 1 A 33 33 ARG C C 33 178.314 177.578 0.736 1 1 338 . 11 1 1 A 33 33 ARG CA C 33 58.320 58.530 -0.210 1 1 339 . 11 1 1 A 33 33 ARG CB C 33 29.531 29.717 -0.186 1 1 342 . 11 1 1 A 33 33 ARG N N 33 117.400 117.833 -0.433 1 1 343 . 11 1 1 A 34 34 SER H H 34 7.837 8.251 -0.414 1 1 344 . 11 1 1 A 34 34 SER HA H 34 4.196 4.165 0.031 1 1 347 . 11 1 1 A 34 34 SER C C 34 174.873 175.176 -0.303 1 1 348 . 11 1 1 A 34 34 SER CA C 34 60.482 60.802 -0.320 1 1 349 . 11 1 1 A 34 34 SER CB C 34 63.140 62.228 0.912 1 1 350 . 11 1 1 A 34 34 SER N N 34 114.440 114.683 -0.243 1 1 351 . 11 1 1 A 35 35 HIS H H 35 7.204 8.065 -0.861 1 1 352 . 11 1 1 A 35 35 HIS HA H 35 4.773 4.535 0.238 1 1 357 . 11 1 1 A 35 35 HIS C C 35 174.959 177.558 -2.599 1 1 358 . 11 1 1 A 35 35 HIS CA C 35 55.192 57.812 -2.620 1 1 359 . 11 1 1 A 35 35 HIS CB C 35 29.005 31.337 -2.332 1 1 362 . 11 1 1 A 35 35 HIS N N 35 118.479 118.996 -0.517 1 1 363 . 11 1 1 A 36 36 GLU H H 36 7.583 8.017 -0.434 1 1 364 . 11 1 1 A 36 36 GLU HA H 36 4.256 4.018 0.238 1 1 369 . 11 1 1 A 36 36 GLU C C 36 176.328 176.086 0.242 1 1 370 . 11 1 1 A 36 36 GLU CA C 36 56.841 58.554 -1.713 1 1 371 . 11 1 1 A 36 36 GLU CB C 36 30.329 29.331 0.998 1 1 373 . 11 1 1 A 36 36 GLU N N 36 120.262 117.329 2.933 1 1 374 . 11 1 1 A 37 37 ARG H H 37 8.387 7.490 0.897 1 1 375 . 11 1 1 A 37 37 ARG HA H 37 4.453 4.606 -0.153 1 1 382 . 11 1 1 A 37 37 ARG C C 37 176.254 174.149 2.105 1 1 383 . 11 1 1 A 37 37 ARG CA C 37 55.900 54.819 1.081 1 1 384 . 11 1 1 A 37 37 ARG CB C 37 30.906 31.351 -0.445 1 1 387 . 11 1 1 A 37 37 ARG N N 37 122.086 121.153 0.933 1 1 388 . 11 1 1 A 38 38 THR H H 38 8.275 8.973 -0.698 1 1 389 . 11 1 1 A 38 38 THR HA H 38 4.328 4.930 -0.602 1 1 394 . 11 1 1 A 38 38 THR C C 38 174.006 172.774 1.232 1 1 395 . 11 1 1 A 38 38 THR CA C 38 61.731 61.814 -0.083 1 1 396 . 11 1 1 A 38 38 THR CB C 38 69.937 70.282 -0.345 1 1 398 . 11 1 1 A 38 38 THR N N 38 115.922 120.939 -5.017 1 1 399 . 11 1 1 A 39 39 ASP H H 39 8.437 8.744 -0.307 1 1 400 . 11 1 1 A 39 39 ASP HA H 39 4.900 5.222 -0.322 1 1 403 . 11 1 1 A 39 39 ASP C C 39 174.780 174.196 0.584 1 1 404 . 11 1 1 A 39 39 ASP CA C 39 52.198 50.653 1.545 1 1 405 . 11 1 1 A 39 39 ASP CB C 39 41.197 43.613 -2.416 1 1 406 . 11 1 1 A 39 39 ASP N N 39 124.343 124.902 -0.559 1 1 407 . 11 1 1 A 40 40 PRO HA H 40 4.467 4.790 -0.323 1 1 414 . 11 1 1 A 40 40 PRO CA C 40 63.632 62.713 0.919 1 1 415 . 11 1 1 A 40 40 PRO CB C 40 32.113 31.634 0.479 1 1 418 . 11 1 1 A 41 41 SER H H 41 8.481 8.532 -0.051 1 1 419 . 11 1 1 A 41 41 SER HA H 41 4.463 4.934 -0.471 1 1 422 . 11 1 1 A 41 41 SER CA C 41 58.677 57.601 1.076 1 1 423 . 11 1 1 A 41 41 SER CB C 41 63.874 67.244 -3.370 1 1 424 . 11 1 1 A 41 41 SER N N 41 115.801 119.307 -3.506 1 1 425 . 11 1 1 A 42 42 GLY H H 42 8.086 8.668 -0.582 1 1 426 . 11 1 1 A 42 42 GLY HA2 H 42 4.173 4.132 0.041 1 1 427 . 11 1 1 A 42 42 GLY HA3 H 42 4.065 4.132 -0.067 1 1 428 . 11 1 1 A 42 42 GLY CA C 42 44.752 44.046 0.706 1 1 429 . 11 1 1 A 42 42 GLY N N 42 110.426 109.779 0.647 1 1 430 . 11 1 1 A 43 43 PRO HA H 43 4.488 4.486 0.002 1 1 437 . 11 1 1 A 43 43 PRO CA C 43 63.241 62.969 0.272 1 1 438 . 11 1 1 A 43 43 PRO CB C 43 32.157 31.985 0.172 1 1 1 . 12 1 1 A 4 4 GLY HA2 H 4 4.452 4.148 0.304 1 1 2 . 12 1 1 A 4 4 GLY HA3 H 4 4.452 4.148 0.304 1 1 3 . 12 1 1 A 4 4 GLY C C 4 177.372 172.914 4.458 1 1 4 . 12 1 1 A 5 5 SER H H 5 8.514 8.740 -0.226 1 1 5 . 12 1 1 A 5 5 SER HA H 5 4.517 5.335 -0.818 1 1 8 . 12 1 1 A 5 5 SER C C 5 174.470 172.633 1.837 1 1 9 . 12 1 1 A 5 5 SER CA C 5 58.246 56.939 1.307 1 1 10 . 12 1 1 A 5 5 SER CB C 5 63.845 65.308 -1.463 1 1 11 . 12 1 1 A 5 5 SER N N 5 116.459 117.452 -0.993 1 1 12 . 12 1 1 A 6 6 SER C C 6 173.892 173.011 0.881 1 1 13 . 12 1 1 A 6 6 SER CA C 6 58.410 57.424 0.986 1 1 14 . 12 1 1 A 6 6 SER CB C 6 64.048 65.854 -1.806 1 1 15 . 12 1 1 A 6 6 SER N N 6 118.058 121.298 -3.240 1 1 16 . 12 1 1 A 7 7 GLY HA2 H 7 4.032 4.107 -0.075 1 1 17 . 12 1 1 A 7 7 GLY HA3 H 7 4.032 4.107 -0.075 1 1 18 . 12 1 1 A 7 7 GLY C C 7 174.503 171.699 2.804 1 1 19 . 12 1 1 A 7 7 GLY CA C 7 45.426 43.963 1.463 1 1 20 . 12 1 1 A 7 7 GLY N N 7 117.426 113.430 3.996 1 1 21 . 12 1 1 A 8 8 THR H H 8 8.134 8.308 -0.174 1 1 22 . 12 1 1 A 8 8 THR HA H 8 4.361 5.120 -0.759 1 1 27 . 12 1 1 A 8 8 THR C C 8 175.191 173.333 1.858 1 1 28 . 12 1 1 A 8 8 THR CA C 8 61.847 59.461 2.386 1 1 29 . 12 1 1 A 8 8 THR CB C 8 69.840 71.844 -2.004 1 1 31 . 12 1 1 A 8 8 THR N N 8 112.760 114.297 -1.537 1 1 32 . 12 1 1 A 9 9 GLY H H 9 8.413 8.646 -0.233 1 1 33 . 12 1 1 A 9 9 GLY HA2 H 9 3.947 4.174 -0.227 1 1 34 . 12 1 1 A 9 9 GLY HA3 H 9 3.900 4.176 -0.276 1 1 35 . 12 1 1 A 9 9 GLY C C 9 174.023 173.211 0.812 1 1 36 . 12 1 1 A 9 9 GLY CA C 9 45.259 46.022 -0.763 1 1 37 . 12 1 1 A 9 9 GLY N N 9 110.903 113.804 -2.901 1 1 38 . 12 1 1 A 10 10 GLU H H 10 8.200 8.352 -0.152 1 1 39 . 12 1 1 A 10 10 GLU HA H 10 4.168 5.187 -1.019 1 1 44 . 12 1 1 A 10 10 GLU C C 10 176.430 175.066 1.364 1 1 45 . 12 1 1 A 10 10 GLU CA C 10 56.773 54.752 2.021 1 1 46 . 12 1 1 A 10 10 GLU CB C 10 30.405 33.187 -2.782 1 1 48 . 12 1 1 A 10 10 GLU N N 10 120.140 118.659 1.481 1 1 49 . 12 1 1 A 11 11 LYS H H 11 8.325 8.275 0.050 1 1 50 . 12 1 1 A 11 11 LYS HA H 11 4.496 4.849 -0.353 1 1 59 . 12 1 1 A 11 11 LYS C C 11 174.166 175.886 -1.720 1 1 60 . 12 1 1 A 11 11 LYS CA C 11 53.920 52.975 0.945 1 1 61 . 12 1 1 A 11 11 LYS CB C 11 33.107 34.840 -1.733 1 1 65 . 12 1 1 A 11 11 LYS N N 11 122.011 120.541 1.470 1 1 66 . 12 1 1 A 12 12 PRO HA H 12 4.242 4.278 -0.036 1 1 73 . 12 1 1 A 12 12 PRO C C 12 176.359 176.197 0.162 1 1 74 . 12 1 1 A 12 12 PRO CA C 12 63.623 64.865 -1.242 1 1 75 . 12 1 1 A 12 12 PRO CB C 12 32.138 31.801 0.337 1 1 78 . 12 1 1 A 13 13 PHE H H 13 7.984 7.866 0.118 1 1 79 . 12 1 1 A 13 13 PHE HA H 13 4.695 5.180 -0.485 1 1 87 . 12 1 1 A 13 13 PHE C C 13 174.248 174.432 -0.184 1 1 88 . 12 1 1 A 13 13 PHE CA C 13 56.993 57.067 -0.074 1 1 89 . 12 1 1 A 13 13 PHE CB C 13 39.591 41.967 -2.376 1 1 95 . 12 1 1 A 13 13 PHE N N 13 118.237 117.867 0.370 1 1 96 . 12 1 1 A 14 14 GLN H H 14 8.591 8.838 -0.247 1 1 97 . 12 1 1 A 14 14 GLN HA H 14 5.175 5.105 0.070 1 1 104 . 12 1 1 A 14 14 GLN C C 14 174.744 174.245 0.499 1 1 105 . 12 1 1 A 14 14 GLN CA C 14 54.668 54.146 0.522 1 1 106 . 12 1 1 A 14 14 GLN CB C 14 32.675 32.590 0.085 1 1 108 . 12 1 1 A 14 14 GLN N N 14 123.552 121.001 2.551 1 1 110 . 12 1 1 A 15 15 CYS H H 15 9.221 9.333 -0.112 1 1 111 . 12 1 1 A 15 15 CYS HA H 15 4.576 4.650 -0.074 1 1 114 . 12 1 1 A 15 15 CYS C C 15 177.443 175.805 1.638 1 1 115 . 12 1 1 A 15 15 CYS CA C 15 59.565 58.749 0.816 1 1 116 . 12 1 1 A 15 15 CYS CB C 15 29.940 28.992 0.948 1 1 117 . 12 1 1 A 15 15 CYS N N 15 128.096 123.427 4.669 1 1 118 . 12 1 1 A 16 16 LYS H H 16 9.439 9.140 0.299 1 1 119 . 12 1 1 A 16 16 LYS HA H 16 4.204 4.429 -0.225 1 1 128 . 12 1 1 A 16 16 LYS C C 16 176.882 176.727 0.155 1 1 129 . 12 1 1 A 16 16 LYS CA C 16 58.170 57.066 1.104 1 1 130 . 12 1 1 A 16 16 LYS CB C 16 32.153 32.222 -0.069 1 1 134 . 12 1 1 A 16 16 LYS N N 16 132.264 128.091 4.173 1 1 135 . 12 1 1 A 17 17 GLU H H 17 8.836 7.977 0.859 1 1 136 . 12 1 1 A 17 17 GLU HA H 17 4.201 4.285 -0.084 1 1 141 . 12 1 1 A 17 17 GLU C C 17 177.524 178.093 -0.569 1 1 142 . 12 1 1 A 17 17 GLU CA C 17 58.138 57.666 0.472 1 1 143 . 12 1 1 A 17 17 GLU CB C 17 29.276 30.179 -0.903 1 1 145 . 12 1 1 A 17 17 GLU N N 17 120.919 116.997 3.922 1 1 146 . 12 1 1 A 18 18 CYS H H 18 8.312 8.043 0.269 1 1 147 . 12 1 1 A 18 18 CYS HA H 18 5.162 4.693 0.469 1 1 150 . 12 1 1 A 18 18 CYS C C 18 176.325 176.022 0.303 1 1 151 . 12 1 1 A 18 18 CYS CA C 18 58.284 58.974 -0.690 1 1 152 . 12 1 1 A 18 18 CYS CB C 18 32.594 30.614 1.980 1 1 153 . 12 1 1 A 18 18 CYS N N 18 115.693 114.230 1.463 1 1 154 . 12 1 1 A 19 19 GLY H H 19 8.106 8.088 0.018 1 1 155 . 12 1 1 A 19 19 GLY HA2 H 19 4.219 4.002 0.217 1 1 156 . 12 1 1 A 19 19 GLY HA3 H 19 3.757 4.008 -0.251 1 1 157 . 12 1 1 A 19 19 GLY C C 19 173.852 174.612 -0.760 1 1 158 . 12 1 1 A 19 19 GLY CA C 19 46.048 45.093 0.955 1 1 159 . 12 1 1 A 19 19 GLY N N 19 113.172 109.831 3.341 1 1 160 . 12 1 1 A 20 20 MET H H 20 7.952 7.709 0.243 1 1 161 . 12 1 1 A 20 20 MET HA H 20 3.997 4.302 -0.305 1 1 169 . 12 1 1 A 20 20 MET C C 20 173.729 175.022 -1.293 1 1 170 . 12 1 1 A 20 20 MET CA C 20 57.756 56.252 1.504 1 1 171 . 12 1 1 A 20 20 MET CB C 20 33.879 33.165 0.714 1 1 174 . 12 1 1 A 20 20 MET N N 20 122.129 121.308 0.821 1 1 175 . 12 1 1 A 21 21 ASN H H 21 7.960 8.612 -0.652 1 1 176 . 12 1 1 A 21 21 ASN HA H 21 5.375 5.654 -0.279 1 1 181 . 12 1 1 A 21 21 ASN C C 21 173.981 174.397 -0.416 1 1 182 . 12 1 1 A 21 21 ASN CA C 21 52.027 51.920 0.107 1 1 183 . 12 1 1 A 21 21 ASN CB C 21 41.679 41.091 0.588 1 1 184 . 12 1 1 A 21 21 ASN N N 21 119.653 122.202 -2.549 1 1 186 . 12 1 1 A 22 22 PHE H H 22 8.724 8.710 0.014 1 1 187 . 12 1 1 A 22 22 PHE HA H 22 4.722 4.896 -0.174 1 1 195 . 12 1 1 A 22 22 PHE C C 22 175.430 175.822 -0.392 1 1 196 . 12 1 1 A 22 22 PHE CA C 22 57.156 57.169 -0.013 1 1 197 . 12 1 1 A 22 22 PHE CB C 22 43.843 43.575 0.268 1 1 203 . 12 1 1 A 22 22 PHE N N 22 116.386 120.621 -4.235 1 1 204 . 12 1 1 A 23 23 SER HA H 23 4.470 4.360 0.110 1 1 207 . 12 1 1 A 23 23 SER CA C 23 60.762 59.806 0.956 1 1 208 . 12 1 1 A 23 23 SER CB C 23 63.389 63.426 -0.037 1 1 209 . 12 1 1 A 24 24 TRP H H 24 7.303 8.028 -0.725 1 1 210 . 12 1 1 A 24 24 TRP HA H 24 5.114 5.027 0.087 1 1 219 . 12 1 1 A 24 24 TRP CA C 24 54.989 56.074 -1.085 1 1 220 . 12 1 1 A 24 24 TRP CB C 24 32.901 31.694 1.207 1 1 226 . 12 1 1 A 24 24 TRP N N 24 116.709 122.659 -5.950 1 1 228 . 12 1 1 A 25 25 SER HA H 25 2.990 2.888 0.102 1 1 231 . 12 1 1 A 25 25 SER CA C 25 61.025 60.446 0.579 1 1 232 . 12 1 1 A 25 25 SER CB C 25 61.769 61.834 -0.065 1 1 233 . 12 1 1 A 26 26 CYS HA H 26 4.272 4.061 0.211 1 1 236 . 12 1 1 A 26 26 CYS CA C 26 60.467 63.062 -2.595 1 1 237 . 12 1 1 A 26 26 CYS CB C 26 26.503 26.560 -0.057 1 1 238 . 12 1 1 A 26 26 CYS N N 26 116.694 119.838 -3.144 1 1 239 . 12 1 1 A 27 27 SER HA H 27 4.265 4.093 0.172 1 1 242 . 12 1 1 A 27 27 SER C C 27 176.277 176.272 0.005 1 1 243 . 12 1 1 A 27 27 SER CA C 27 60.808 62.620 -1.812 1 1 244 . 12 1 1 A 27 27 SER CB C 27 62.592 62.722 -0.130 1 1 245 . 12 1 1 A 27 27 SER N N 27 115.000 116.778 -1.778 1 1 246 . 12 1 1 A 28 28 LEU H H 28 6.993 7.563 -0.570 1 1 247 . 12 1 1 A 28 28 LEU HA H 28 3.081 2.208 0.873 1 1 257 . 12 1 1 A 28 28 LEU C C 28 177.247 178.603 -1.356 1 1 258 . 12 1 1 A 28 28 LEU CA C 28 57.825 57.489 0.336 1 1 259 . 12 1 1 A 28 28 LEU CB C 28 40.078 41.575 -1.497 1 1 263 . 12 1 1 A 28 28 LEU N N 28 124.148 122.146 2.002 1 1 264 . 12 1 1 A 29 29 PHE H H 29 8.208 8.339 -0.131 1 1 265 . 12 1 1 A 29 29 PHE HA H 29 4.178 3.921 0.257 1 1 273 . 12 1 1 A 29 29 PHE C C 29 178.527 177.875 0.652 1 1 274 . 12 1 1 A 29 29 PHE CA C 29 61.303 61.814 -0.511 1 1 275 . 12 1 1 A 29 29 PHE CB C 29 37.971 39.029 -1.058 1 1 281 . 12 1 1 A 29 29 PHE N N 29 118.075 119.358 -1.283 1 1 282 . 12 1 1 A 30 30 LYS H H 30 7.660 8.077 -0.417 1 1 283 . 12 1 1 A 30 30 LYS HA H 30 3.959 4.015 -0.056 1 1 292 . 12 1 1 A 30 30 LYS C C 30 179.126 178.483 0.643 1 1 293 . 12 1 1 A 30 30 LYS CA C 30 59.586 59.123 0.463 1 1 294 . 12 1 1 A 30 30 LYS CB C 30 32.503 32.001 0.502 1 1 298 . 12 1 1 A 30 30 LYS N N 30 118.194 118.512 -0.318 1 1 299 . 12 1 1 A 31 31 HIS H H 31 7.637 8.293 -0.656 1 1 300 . 12 1 1 A 31 31 HIS HA H 31 4.205 4.260 -0.055 1 1 305 . 12 1 1 A 31 31 HIS C C 31 177.985 176.957 1.028 1 1 306 . 12 1 1 A 31 31 HIS CA C 31 59.463 59.011 0.452 1 1 307 . 12 1 1 A 31 31 HIS CB C 31 28.534 30.113 -1.579 1 1 310 . 12 1 1 A 31 31 HIS N N 31 119.604 119.652 -0.048 1 1 311 . 12 1 1 A 32 32 LEU H H 32 8.690 8.611 0.079 1 1 312 . 12 1 1 A 32 32 LEU HA H 32 3.861 4.071 -0.210 1 1 322 . 12 1 1 A 32 32 LEU C C 32 179.506 179.197 0.309 1 1 323 . 12 1 1 A 32 32 LEU CA C 32 58.447 57.968 0.479 1 1 324 . 12 1 1 A 32 32 LEU CB C 32 41.560 41.382 0.178 1 1 328 . 12 1 1 A 32 32 LEU N N 32 121.283 119.180 2.103 1 1 329 . 12 1 1 A 33 33 ARG H H 33 7.178 7.893 -0.715 1 1 330 . 12 1 1 A 33 33 ARG HA H 33 4.071 3.949 0.122 1 1 337 . 12 1 1 A 33 33 ARG C C 33 178.314 178.111 0.203 1 1 338 . 12 1 1 A 33 33 ARG CA C 33 58.320 58.401 -0.081 1 1 339 . 12 1 1 A 33 33 ARG CB C 33 29.531 30.022 -0.491 1 1 342 . 12 1 1 A 33 33 ARG N N 33 117.400 117.934 -0.534 1 1 343 . 12 1 1 A 34 34 SER H H 34 7.837 8.015 -0.178 1 1 344 . 12 1 1 A 34 34 SER HA H 34 4.196 4.037 0.159 1 1 347 . 12 1 1 A 34 34 SER C C 34 174.873 175.496 -0.623 1 1 348 . 12 1 1 A 34 34 SER CA C 34 60.482 61.461 -0.979 1 1 349 . 12 1 1 A 34 34 SER CB C 34 63.140 62.642 0.498 1 1 350 . 12 1 1 A 34 34 SER N N 34 114.440 116.700 -2.260 1 1 351 . 12 1 1 A 35 35 HIS H H 35 7.204 7.719 -0.515 1 1 352 . 12 1 1 A 35 35 HIS HA H 35 4.773 4.511 0.262 1 1 357 . 12 1 1 A 35 35 HIS C C 35 174.959 177.609 -2.650 1 1 358 . 12 1 1 A 35 35 HIS CA C 35 55.192 57.846 -2.654 1 1 359 . 12 1 1 A 35 35 HIS CB C 35 29.005 31.206 -2.201 1 1 362 . 12 1 1 A 35 35 HIS N N 35 118.479 116.935 1.544 1 1 363 . 12 1 1 A 36 36 GLU H H 36 7.583 8.640 -1.057 1 1 364 . 12 1 1 A 36 36 GLU HA H 36 4.256 4.028 0.228 1 1 369 . 12 1 1 A 36 36 GLU C C 36 176.328 175.999 0.329 1 1 370 . 12 1 1 A 36 36 GLU CA C 36 56.841 58.446 -1.605 1 1 371 . 12 1 1 A 36 36 GLU CB C 36 30.329 28.672 1.657 1 1 373 . 12 1 1 A 36 36 GLU N N 36 120.262 116.935 3.327 1 1 374 . 12 1 1 A 37 37 ARG H H 37 8.387 7.500 0.887 1 1 375 . 12 1 1 A 37 37 ARG HA H 37 4.453 4.934 -0.481 1 1 382 . 12 1 1 A 37 37 ARG C C 37 176.254 174.884 1.370 1 1 383 . 12 1 1 A 37 37 ARG CA C 37 55.900 54.538 1.362 1 1 384 . 12 1 1 A 37 37 ARG CB C 37 30.906 32.692 -1.786 1 1 387 . 12 1 1 A 37 37 ARG N N 37 122.086 120.095 1.991 1 1 388 . 12 1 1 A 38 38 THR H H 38 8.275 8.846 -0.571 1 1 389 . 12 1 1 A 38 38 THR HA H 38 4.328 4.714 -0.386 1 1 394 . 12 1 1 A 38 38 THR C C 38 174.006 174.160 -0.154 1 1 395 . 12 1 1 A 38 38 THR CA C 38 61.731 61.325 0.406 1 1 396 . 12 1 1 A 38 38 THR CB C 38 69.937 71.768 -1.831 1 1 398 . 12 1 1 A 38 38 THR N N 38 115.922 120.533 -4.611 1 1 399 . 12 1 1 A 39 39 ASP H H 39 8.437 9.046 -0.609 1 1 400 . 12 1 1 A 39 39 ASP HA H 39 4.900 4.502 0.398 1 1 403 . 12 1 1 A 39 39 ASP C C 39 174.780 175.990 -1.210 1 1 404 . 12 1 1 A 39 39 ASP CA C 39 52.198 59.089 -6.891 1 1 405 . 12 1 1 A 39 39 ASP CB C 39 41.197 39.117 2.080 1 1 406 . 12 1 1 A 39 39 ASP N N 39 124.343 127.722 -3.379 1 1 407 . 12 1 1 A 40 40 PRO HA H 40 4.467 4.645 -0.178 1 1 414 . 12 1 1 A 40 40 PRO CA C 40 63.632 62.383 1.249 1 1 415 . 12 1 1 A 40 40 PRO CB C 40 32.113 32.296 -0.183 1 1 418 . 12 1 1 A 41 41 SER H H 41 8.481 8.467 0.014 1 1 419 . 12 1 1 A 41 41 SER HA H 41 4.463 5.035 -0.572 1 1 422 . 12 1 1 A 41 41 SER CA C 41 58.677 56.607 2.070 1 1 423 . 12 1 1 A 41 41 SER CB C 41 63.874 64.896 -1.022 1 1 424 . 12 1 1 A 41 41 SER N N 41 115.801 114.409 1.392 1 1 425 . 12 1 1 A 42 42 GLY H H 42 8.086 8.590 -0.504 1 1 426 . 12 1 1 A 42 42 GLY HA2 H 42 4.173 4.112 0.061 1 1 427 . 12 1 1 A 42 42 GLY HA3 H 42 4.065 4.116 -0.051 1 1 428 . 12 1 1 A 42 42 GLY CA C 42 44.752 43.758 0.994 1 1 429 . 12 1 1 A 42 42 GLY N N 42 110.426 109.866 0.560 1 1 430 . 12 1 1 A 43 43 PRO HA H 43 4.488 4.522 -0.034 1 1 437 . 12 1 1 A 43 43 PRO CA C 43 63.241 64.019 -0.778 1 1 438 . 12 1 1 A 43 43 PRO CB C 43 32.157 31.654 0.503 1 1 1 . 13 1 1 A 4 4 GLY HA2 H 4 4.452 4.209 0.243 1 1 2 . 13 1 1 A 4 4 GLY HA3 H 4 4.452 4.210 0.242 1 1 3 . 13 1 1 A 4 4 GLY C C 4 177.372 172.401 4.971 1 1 4 . 13 1 1 A 5 5 SER H H 5 8.514 8.898 -0.384 1 1 5 . 13 1 1 A 5 5 SER HA H 5 4.517 4.851 -0.334 1 1 8 . 13 1 1 A 5 5 SER C C 5 174.470 174.070 0.400 1 1 9 . 13 1 1 A 5 5 SER CA C 5 58.246 57.718 0.528 1 1 10 . 13 1 1 A 5 5 SER CB C 5 63.845 62.213 1.632 1 1 11 . 13 1 1 A 5 5 SER N N 5 116.459 123.517 -7.058 1 1 12 . 13 1 1 A 6 6 SER C C 6 173.892 174.503 -0.611 1 1 13 . 13 1 1 A 6 6 SER CA C 6 58.410 58.190 0.220 1 1 14 . 13 1 1 A 6 6 SER CB C 6 64.048 64.341 -0.293 1 1 15 . 13 1 1 A 6 6 SER N N 6 118.058 122.030 -3.972 1 1 16 . 13 1 1 A 7 7 GLY HA2 H 7 4.032 3.991 0.041 1 1 17 . 13 1 1 A 7 7 GLY HA3 H 7 4.032 3.991 0.041 1 1 18 . 13 1 1 A 7 7 GLY C C 7 174.503 173.785 0.718 1 1 19 . 13 1 1 A 7 7 GLY CA C 7 45.426 46.200 -0.774 1 1 20 . 13 1 1 A 7 7 GLY N N 7 117.426 114.091 3.335 1 1 21 . 13 1 1 A 8 8 THR H H 8 8.134 8.128 0.006 1 1 22 . 13 1 1 A 8 8 THR HA H 8 4.361 4.484 -0.123 1 1 27 . 13 1 1 A 8 8 THR C C 8 175.191 175.382 -0.191 1 1 28 . 13 1 1 A 8 8 THR CA C 8 61.847 62.334 -0.487 1 1 29 . 13 1 1 A 8 8 THR CB C 8 69.840 69.697 0.143 1 1 31 . 13 1 1 A 8 8 THR N N 8 112.760 115.054 -2.294 1 1 32 . 13 1 1 A 9 9 GLY H H 9 8.413 8.828 -0.415 1 1 33 . 13 1 1 A 9 9 GLY HA2 H 9 3.947 4.006 -0.059 1 1 34 . 13 1 1 A 9 9 GLY HA3 H 9 3.900 4.009 -0.109 1 1 35 . 13 1 1 A 9 9 GLY C C 9 174.023 174.731 -0.708 1 1 36 . 13 1 1 A 9 9 GLY CA C 9 45.259 45.705 -0.446 1 1 37 . 13 1 1 A 9 9 GLY N N 9 110.903 115.761 -4.858 1 1 38 . 13 1 1 A 10 10 GLU H H 10 8.200 8.107 0.093 1 1 39 . 13 1 1 A 10 10 GLU HA H 10 4.168 4.389 -0.221 1 1 44 . 13 1 1 A 10 10 GLU C C 10 176.430 175.724 0.706 1 1 45 . 13 1 1 A 10 10 GLU CA C 10 56.773 56.112 0.661 1 1 46 . 13 1 1 A 10 10 GLU CB C 10 30.405 30.340 0.065 1 1 48 . 13 1 1 A 10 10 GLU N N 10 120.140 119.365 0.775 1 1 49 . 13 1 1 A 11 11 LYS H H 11 8.325 8.494 -0.169 1 1 50 . 13 1 1 A 11 11 LYS HA H 11 4.496 4.766 -0.270 1 1 59 . 13 1 1 A 11 11 LYS C C 11 174.166 175.820 -1.654 1 1 60 . 13 1 1 A 11 11 LYS CA C 11 53.920 52.223 1.697 1 1 61 . 13 1 1 A 11 11 LYS CB C 11 33.107 33.244 -0.137 1 1 65 . 13 1 1 A 11 11 LYS N N 11 122.011 121.758 0.253 1 1 66 . 13 1 1 A 12 12 PRO HA H 12 4.242 4.281 -0.039 1 1 73 . 13 1 1 A 12 12 PRO C C 12 176.359 176.197 0.162 1 1 74 . 13 1 1 A 12 12 PRO CA C 12 63.623 64.820 -1.197 1 1 75 . 13 1 1 A 12 12 PRO CB C 12 32.138 31.862 0.276 1 1 78 . 13 1 1 A 13 13 PHE H H 13 7.984 7.833 0.151 1 1 79 . 13 1 1 A 13 13 PHE HA H 13 4.695 5.287 -0.592 1 1 87 . 13 1 1 A 13 13 PHE C C 13 174.248 174.448 -0.200 1 1 88 . 13 1 1 A 13 13 PHE CA C 13 56.993 57.078 -0.085 1 1 89 . 13 1 1 A 13 13 PHE CB C 13 39.591 41.857 -2.266 1 1 95 . 13 1 1 A 13 13 PHE N N 13 118.237 117.920 0.317 1 1 96 . 13 1 1 A 14 14 GLN H H 14 8.591 8.865 -0.274 1 1 97 . 13 1 1 A 14 14 GLN HA H 14 5.175 4.913 0.262 1 1 104 . 13 1 1 A 14 14 GLN C C 14 174.744 174.113 0.631 1 1 105 . 13 1 1 A 14 14 GLN CA C 14 54.668 55.015 -0.347 1 1 106 . 13 1 1 A 14 14 GLN CB C 14 32.675 33.184 -0.509 1 1 108 . 13 1 1 A 14 14 GLN N N 14 123.552 120.319 3.233 1 1 110 . 13 1 1 A 15 15 CYS H H 15 9.221 9.189 0.032 1 1 111 . 13 1 1 A 15 15 CYS HA H 15 4.576 4.716 -0.140 1 1 114 . 13 1 1 A 15 15 CYS C C 15 177.443 175.435 2.008 1 1 115 . 13 1 1 A 15 15 CYS CA C 15 59.565 58.452 1.113 1 1 116 . 13 1 1 A 15 15 CYS CB C 15 29.940 29.256 0.684 1 1 117 . 13 1 1 A 15 15 CYS N N 15 128.096 123.109 4.987 1 1 118 . 13 1 1 A 16 16 LYS H H 16 9.439 9.116 0.323 1 1 119 . 13 1 1 A 16 16 LYS HA H 16 4.204 4.460 -0.256 1 1 128 . 13 1 1 A 16 16 LYS C C 16 176.882 176.713 0.169 1 1 129 . 13 1 1 A 16 16 LYS CA C 16 58.170 56.681 1.489 1 1 130 . 13 1 1 A 16 16 LYS CB C 16 32.153 32.325 -0.172 1 1 134 . 13 1 1 A 16 16 LYS N N 16 132.264 128.191 4.073 1 1 135 . 13 1 1 A 17 17 GLU H H 17 8.836 7.963 0.873 1 1 136 . 13 1 1 A 17 17 GLU HA H 17 4.201 4.280 -0.079 1 1 141 . 13 1 1 A 17 17 GLU C C 17 177.524 178.055 -0.531 1 1 142 . 13 1 1 A 17 17 GLU CA C 17 58.138 57.813 0.325 1 1 143 . 13 1 1 A 17 17 GLU CB C 17 29.276 30.084 -0.808 1 1 145 . 13 1 1 A 17 17 GLU N N 17 120.919 117.218 3.701 1 1 146 . 13 1 1 A 18 18 CYS H H 18 8.312 7.989 0.323 1 1 147 . 13 1 1 A 18 18 CYS HA H 18 5.162 4.720 0.442 1 1 150 . 13 1 1 A 18 18 CYS C C 18 176.325 175.758 0.567 1 1 151 . 13 1 1 A 18 18 CYS CA C 18 58.284 59.014 -0.730 1 1 152 . 13 1 1 A 18 18 CYS CB C 18 32.594 30.642 1.952 1 1 153 . 13 1 1 A 18 18 CYS N N 18 115.693 114.187 1.506 1 1 154 . 13 1 1 A 19 19 GLY H H 19 8.106 8.164 -0.058 1 1 155 . 13 1 1 A 19 19 GLY HA2 H 19 4.219 3.965 0.254 1 1 156 . 13 1 1 A 19 19 GLY HA3 H 19 3.757 3.972 -0.215 1 1 157 . 13 1 1 A 19 19 GLY C C 19 173.852 174.713 -0.861 1 1 158 . 13 1 1 A 19 19 GLY CA C 19 46.048 45.132 0.916 1 1 159 . 13 1 1 A 19 19 GLY N N 19 113.172 109.874 3.298 1 1 160 . 13 1 1 A 20 20 MET H H 20 7.952 7.658 0.294 1 1 161 . 13 1 1 A 20 20 MET HA H 20 3.997 4.311 -0.314 1 1 169 . 13 1 1 A 20 20 MET C C 20 173.729 176.348 -2.619 1 1 170 . 13 1 1 A 20 20 MET CA C 20 57.756 56.181 1.575 1 1 171 . 13 1 1 A 20 20 MET CB C 20 33.879 33.080 0.799 1 1 174 . 13 1 1 A 20 20 MET N N 20 122.129 121.183 0.946 1 1 175 . 13 1 1 A 21 21 ASN H H 21 7.960 8.592 -0.632 1 1 176 . 13 1 1 A 21 21 ASN HA H 21 5.375 5.661 -0.286 1 1 181 . 13 1 1 A 21 21 ASN C C 21 173.981 174.279 -0.298 1 1 182 . 13 1 1 A 21 21 ASN CA C 21 52.027 51.852 0.175 1 1 183 . 13 1 1 A 21 21 ASN CB C 21 41.679 40.345 1.334 1 1 184 . 13 1 1 A 21 21 ASN N N 21 119.653 121.504 -1.851 1 1 186 . 13 1 1 A 22 22 PHE H H 22 8.724 8.615 0.109 1 1 187 . 13 1 1 A 22 22 PHE HA H 22 4.722 4.976 -0.254 1 1 195 . 13 1 1 A 22 22 PHE C C 22 175.430 175.872 -0.442 1 1 196 . 13 1 1 A 22 22 PHE CA C 22 57.156 57.207 -0.051 1 1 197 . 13 1 1 A 22 22 PHE CB C 22 43.843 42.653 1.190 1 1 203 . 13 1 1 A 22 22 PHE N N 22 116.386 119.284 -2.898 1 1 204 . 13 1 1 A 23 23 SER HA H 23 4.470 4.355 0.115 1 1 207 . 13 1 1 A 23 23 SER CA C 23 60.762 62.326 -1.564 1 1 208 . 13 1 1 A 23 23 SER CB C 23 63.389 63.217 0.172 1 1 209 . 13 1 1 A 24 24 TRP H H 24 7.303 7.713 -0.410 1 1 210 . 13 1 1 A 24 24 TRP HA H 24 5.114 4.833 0.281 1 1 219 . 13 1 1 A 24 24 TRP CA C 24 54.989 57.481 -2.492 1 1 220 . 13 1 1 A 24 24 TRP CB C 24 32.901 30.634 2.267 1 1 226 . 13 1 1 A 24 24 TRP N N 24 116.709 120.910 -4.201 1 1 228 . 13 1 1 A 25 25 SER HA H 25 2.990 3.059 -0.069 1 1 231 . 13 1 1 A 25 25 SER CA C 25 61.025 59.620 1.405 1 1 232 . 13 1 1 A 25 25 SER CB C 25 61.769 63.406 -1.637 1 1 233 . 13 1 1 A 26 26 CYS HA H 26 4.272 4.121 0.151 1 1 236 . 13 1 1 A 26 26 CYS CA C 26 60.467 63.269 -2.802 1 1 237 . 13 1 1 A 26 26 CYS CB C 26 26.503 28.085 -1.582 1 1 238 . 13 1 1 A 26 26 CYS N N 26 116.694 120.019 -3.325 1 1 239 . 13 1 1 A 27 27 SER HA H 27 4.265 4.072 0.193 1 1 242 . 13 1 1 A 27 27 SER C C 27 176.277 176.707 -0.430 1 1 243 . 13 1 1 A 27 27 SER CA C 27 60.808 61.582 -0.774 1 1 244 . 13 1 1 A 27 27 SER CB C 27 62.592 63.286 -0.694 1 1 245 . 13 1 1 A 27 27 SER N N 27 115.000 115.798 -0.798 1 1 246 . 13 1 1 A 28 28 LEU H H 28 6.993 7.924 -0.931 1 1 247 . 13 1 1 A 28 28 LEU HA H 28 3.081 2.459 0.622 1 1 257 . 13 1 1 A 28 28 LEU C C 28 177.247 178.630 -1.383 1 1 258 . 13 1 1 A 28 28 LEU CA C 28 57.825 57.768 0.057 1 1 259 . 13 1 1 A 28 28 LEU CB C 28 40.078 41.349 -1.271 1 1 263 . 13 1 1 A 28 28 LEU N N 28 124.148 121.468 2.680 1 1 264 . 13 1 1 A 29 29 PHE H H 29 8.208 8.456 -0.248 1 1 265 . 13 1 1 A 29 29 PHE HA H 29 4.178 3.935 0.243 1 1 273 . 13 1 1 A 29 29 PHE C C 29 178.527 177.719 0.808 1 1 274 . 13 1 1 A 29 29 PHE CA C 29 61.303 61.897 -0.594 1 1 275 . 13 1 1 A 29 29 PHE CB C 29 37.971 39.089 -1.118 1 1 281 . 13 1 1 A 29 29 PHE N N 29 118.075 119.330 -1.255 1 1 282 . 13 1 1 A 30 30 LYS H H 30 7.660 7.738 -0.078 1 1 283 . 13 1 1 A 30 30 LYS HA H 30 3.959 4.041 -0.082 1 1 292 . 13 1 1 A 30 30 LYS C C 30 179.126 178.744 0.382 1 1 293 . 13 1 1 A 30 30 LYS CA C 30 59.586 59.410 0.176 1 1 294 . 13 1 1 A 30 30 LYS CB C 30 32.503 32.006 0.497 1 1 298 . 13 1 1 A 30 30 LYS N N 30 118.194 117.680 0.514 1 1 299 . 13 1 1 A 31 31 HIS H H 31 7.637 8.299 -0.662 1 1 300 . 13 1 1 A 31 31 HIS HA H 31 4.205 4.255 -0.050 1 1 305 . 13 1 1 A 31 31 HIS C C 31 177.985 176.945 1.040 1 1 306 . 13 1 1 A 31 31 HIS CA C 31 59.463 59.171 0.292 1 1 307 . 13 1 1 A 31 31 HIS CB C 31 28.534 30.048 -1.514 1 1 310 . 13 1 1 A 31 31 HIS N N 31 119.604 119.730 -0.126 1 1 311 . 13 1 1 A 32 32 LEU H H 32 8.690 8.752 -0.062 1 1 312 . 13 1 1 A 32 32 LEU HA H 32 3.861 4.019 -0.158 1 1 322 . 13 1 1 A 32 32 LEU C C 32 179.506 179.427 0.079 1 1 323 . 13 1 1 A 32 32 LEU CA C 32 58.447 58.076 0.371 1 1 324 . 13 1 1 A 32 32 LEU CB C 32 41.560 41.349 0.211 1 1 328 . 13 1 1 A 32 32 LEU N N 32 121.283 119.313 1.970 1 1 329 . 13 1 1 A 33 33 ARG H H 33 7.178 8.043 -0.865 1 1 330 . 13 1 1 A 33 33 ARG HA H 33 4.071 3.945 0.126 1 1 337 . 13 1 1 A 33 33 ARG C C 33 178.314 178.203 0.111 1 1 338 . 13 1 1 A 33 33 ARG CA C 33 58.320 58.465 -0.145 1 1 339 . 13 1 1 A 33 33 ARG CB C 33 29.531 29.639 -0.108 1 1 342 . 13 1 1 A 33 33 ARG N N 33 117.400 117.979 -0.579 1 1 343 . 13 1 1 A 34 34 SER H H 34 7.837 8.161 -0.324 1 1 344 . 13 1 1 A 34 34 SER HA H 34 4.196 4.122 0.074 1 1 347 . 13 1 1 A 34 34 SER C C 34 174.873 175.225 -0.352 1 1 348 . 13 1 1 A 34 34 SER CA C 34 60.482 60.339 0.143 1 1 349 . 13 1 1 A 34 34 SER CB C 34 63.140 62.538 0.602 1 1 350 . 13 1 1 A 34 34 SER N N 34 114.440 114.870 -0.430 1 1 351 . 13 1 1 A 35 35 HIS H H 35 7.204 8.085 -0.881 1 1 352 . 13 1 1 A 35 35 HIS HA H 35 4.773 4.540 0.233 1 1 357 . 13 1 1 A 35 35 HIS C C 35 174.959 177.472 -2.513 1 1 358 . 13 1 1 A 35 35 HIS CA C 35 55.192 57.846 -2.654 1 1 359 . 13 1 1 A 35 35 HIS CB C 35 29.005 31.358 -2.353 1 1 362 . 13 1 1 A 35 35 HIS N N 35 118.479 117.380 1.099 1 1 363 . 13 1 1 A 36 36 GLU H H 36 7.583 8.136 -0.553 1 1 364 . 13 1 1 A 36 36 GLU HA H 36 4.256 3.918 0.338 1 1 369 . 13 1 1 A 36 36 GLU C C 36 176.328 178.494 -2.166 1 1 370 . 13 1 1 A 36 36 GLU CA C 36 56.841 59.151 -2.310 1 1 371 . 13 1 1 A 36 36 GLU CB C 36 30.329 29.112 1.217 1 1 373 . 13 1 1 A 36 36 GLU N N 36 120.262 117.966 2.296 1 1 374 . 13 1 1 A 37 37 ARG H H 37 8.387 7.916 0.471 1 1 375 . 13 1 1 A 37 37 ARG HA H 37 4.453 4.143 0.310 1 1 382 . 13 1 1 A 37 37 ARG C C 37 176.254 176.953 -0.699 1 1 383 . 13 1 1 A 37 37 ARG CA C 37 55.900 58.368 -2.468 1 1 384 . 13 1 1 A 37 37 ARG CB C 37 30.906 30.779 0.127 1 1 387 . 13 1 1 A 37 37 ARG N N 37 122.086 120.026 2.060 1 1 388 . 13 1 1 A 38 38 THR H H 38 8.275 7.722 0.553 1 1 389 . 13 1 1 A 38 38 THR HA H 38 4.328 4.259 0.069 1 1 394 . 13 1 1 A 38 38 THR C C 38 174.006 174.032 -0.026 1 1 395 . 13 1 1 A 38 38 THR CA C 38 61.731 63.337 -1.606 1 1 396 . 13 1 1 A 38 38 THR CB C 38 69.937 69.887 0.050 1 1 398 . 13 1 1 A 38 38 THR N N 38 115.922 113.728 2.194 1 1 399 . 13 1 1 A 39 39 ASP H H 39 8.437 8.449 -0.012 1 1 400 . 13 1 1 A 39 39 ASP HA H 39 4.900 5.033 -0.133 1 1 403 . 13 1 1 A 39 39 ASP C C 39 174.780 175.245 -0.465 1 1 404 . 13 1 1 A 39 39 ASP CA C 39 52.198 52.044 0.154 1 1 405 . 13 1 1 A 39 39 ASP CB C 39 41.197 40.994 0.203 1 1 406 . 13 1 1 A 39 39 ASP N N 39 124.343 124.277 0.066 1 1 407 . 13 1 1 A 40 40 PRO HA H 40 4.467 4.609 -0.142 1 1 414 . 13 1 1 A 40 40 PRO CA C 40 63.632 62.591 1.041 1 1 415 . 13 1 1 A 40 40 PRO CB C 40 32.113 33.312 -1.199 1 1 418 . 13 1 1 A 41 41 SER H H 41 8.481 8.444 0.037 1 1 419 . 13 1 1 A 41 41 SER HA H 41 4.463 5.002 -0.539 1 1 422 . 13 1 1 A 41 41 SER CA C 41 58.677 57.896 0.781 1 1 423 . 13 1 1 A 41 41 SER CB C 41 63.874 65.945 -2.071 1 1 424 . 13 1 1 A 41 41 SER N N 41 115.801 112.455 3.346 1 1 425 . 13 1 1 A 42 42 GLY H H 42 8.086 8.851 -0.765 1 1 426 . 13 1 1 A 42 42 GLY HA2 H 42 4.173 4.097 0.076 1 1 427 . 13 1 1 A 42 42 GLY HA3 H 42 4.065 4.098 -0.033 1 1 428 . 13 1 1 A 42 42 GLY CA C 42 44.752 44.311 0.441 1 1 429 . 13 1 1 A 42 42 GLY N N 42 110.426 110.285 0.141 1 1 430 . 13 1 1 A 43 43 PRO HA H 43 4.488 4.331 0.157 1 1 437 . 13 1 1 A 43 43 PRO CA C 43 63.241 65.049 -1.808 1 1 438 . 13 1 1 A 43 43 PRO CB C 43 32.157 31.696 0.461 1 1 1 . 14 1 1 A 4 4 GLY HA2 H 4 4.452 3.913 0.539 1 1 2 . 14 1 1 A 4 4 GLY HA3 H 4 4.452 3.915 0.537 1 1 3 . 14 1 1 A 4 4 GLY C C 4 177.372 172.556 4.816 1 1 4 . 14 1 1 A 5 5 SER H H 5 8.514 8.316 0.198 1 1 5 . 14 1 1 A 5 5 SER HA H 5 4.517 5.058 -0.541 1 1 8 . 14 1 1 A 5 5 SER C C 5 174.470 172.675 1.795 1 1 9 . 14 1 1 A 5 5 SER CA C 5 58.246 57.454 0.792 1 1 10 . 14 1 1 A 5 5 SER CB C 5 63.845 65.538 -1.693 1 1 11 . 14 1 1 A 5 5 SER N N 5 116.459 118.407 -1.948 1 1 12 . 14 1 1 A 6 6 SER C C 6 173.892 173.243 0.649 1 1 13 . 14 1 1 A 6 6 SER CA C 6 58.410 57.649 0.761 1 1 14 . 14 1 1 A 6 6 SER CB C 6 64.048 63.906 0.142 1 1 15 . 14 1 1 A 6 6 SER N N 6 118.058 123.130 -5.072 1 1 16 . 14 1 1 A 7 7 GLY HA2 H 7 4.032 3.999 0.033 1 1 17 . 14 1 1 A 7 7 GLY HA3 H 7 4.032 4.009 0.023 1 1 18 . 14 1 1 A 7 7 GLY C C 7 174.503 171.508 2.995 1 1 19 . 14 1 1 A 7 7 GLY CA C 7 45.426 44.969 0.457 1 1 20 . 14 1 1 A 7 7 GLY N N 7 117.426 108.654 8.772 1 1 21 . 14 1 1 A 8 8 THR H H 8 8.134 8.420 -0.286 1 1 22 . 14 1 1 A 8 8 THR HA H 8 4.361 5.140 -0.779 1 1 27 . 14 1 1 A 8 8 THR C C 8 175.191 173.268 1.923 1 1 28 . 14 1 1 A 8 8 THR CA C 8 61.847 59.667 2.180 1 1 29 . 14 1 1 A 8 8 THR CB C 8 69.840 71.467 -1.627 1 1 31 . 14 1 1 A 8 8 THR N N 8 112.760 114.474 -1.714 1 1 32 . 14 1 1 A 9 9 GLY H H 9 8.413 8.368 0.045 1 1 33 . 14 1 1 A 9 9 GLY HA2 H 9 3.947 4.214 -0.267 1 1 34 . 14 1 1 A 9 9 GLY HA3 H 9 3.900 4.221 -0.321 1 1 35 . 14 1 1 A 9 9 GLY C C 9 174.023 172.330 1.693 1 1 36 . 14 1 1 A 9 9 GLY CA C 9 45.259 46.358 -1.099 1 1 37 . 14 1 1 A 9 9 GLY N N 9 110.903 114.700 -3.797 1 1 38 . 14 1 1 A 10 10 GLU H H 10 8.200 8.814 -0.614 1 1 39 . 14 1 1 A 10 10 GLU HA H 10 4.168 5.181 -1.013 1 1 44 . 14 1 1 A 10 10 GLU C C 10 176.430 175.002 1.428 1 1 45 . 14 1 1 A 10 10 GLU CA C 10 56.773 54.399 2.374 1 1 46 . 14 1 1 A 10 10 GLU CB C 10 30.405 33.678 -3.273 1 1 48 . 14 1 1 A 10 10 GLU N N 10 120.140 120.074 0.066 1 1 49 . 14 1 1 A 11 11 LYS H H 11 8.325 8.598 -0.273 1 1 50 . 14 1 1 A 11 11 LYS HA H 11 4.496 4.732 -0.236 1 1 59 . 14 1 1 A 11 11 LYS C C 11 174.166 176.513 -2.347 1 1 60 . 14 1 1 A 11 11 LYS CA C 11 53.920 52.623 1.297 1 1 61 . 14 1 1 A 11 11 LYS CB C 11 33.107 32.789 0.318 1 1 65 . 14 1 1 A 11 11 LYS N N 11 122.011 121.031 0.980 1 1 66 . 14 1 1 A 12 12 PRO HA H 12 4.242 4.260 -0.018 1 1 73 . 14 1 1 A 12 12 PRO C C 12 176.359 176.082 0.277 1 1 74 . 14 1 1 A 12 12 PRO CA C 12 63.623 64.721 -1.098 1 1 75 . 14 1 1 A 12 12 PRO CB C 12 32.138 31.773 0.365 1 1 78 . 14 1 1 A 13 13 PHE H H 13 7.984 7.721 0.263 1 1 79 . 14 1 1 A 13 13 PHE HA H 13 4.695 5.108 -0.413 1 1 87 . 14 1 1 A 13 13 PHE C C 13 174.248 174.578 -0.330 1 1 88 . 14 1 1 A 13 13 PHE CA C 13 56.993 57.257 -0.264 1 1 89 . 14 1 1 A 13 13 PHE CB C 13 39.591 41.796 -2.205 1 1 95 . 14 1 1 A 13 13 PHE N N 13 118.237 118.007 0.230 1 1 96 . 14 1 1 A 14 14 GLN H H 14 8.591 8.839 -0.248 1 1 97 . 14 1 1 A 14 14 GLN HA H 14 5.175 5.062 0.113 1 1 104 . 14 1 1 A 14 14 GLN C C 14 174.744 173.842 0.902 1 1 105 . 14 1 1 A 14 14 GLN CA C 14 54.668 54.813 -0.145 1 1 106 . 14 1 1 A 14 14 GLN CB C 14 32.675 33.013 -0.338 1 1 108 . 14 1 1 A 14 14 GLN N N 14 123.552 120.455 3.097 1 1 110 . 14 1 1 A 15 15 CYS H H 15 9.221 9.057 0.164 1 1 111 . 14 1 1 A 15 15 CYS HA H 15 4.576 4.745 -0.169 1 1 114 . 14 1 1 A 15 15 CYS C C 15 177.443 176.294 1.149 1 1 115 . 14 1 1 A 15 15 CYS CA C 15 59.565 57.933 1.632 1 1 116 . 14 1 1 A 15 15 CYS CB C 15 29.940 28.919 1.021 1 1 117 . 14 1 1 A 15 15 CYS N N 15 128.096 122.738 5.358 1 1 118 . 14 1 1 A 16 16 LYS H H 16 9.439 8.997 0.442 1 1 119 . 14 1 1 A 16 16 LYS HA H 16 4.204 4.242 -0.038 1 1 128 . 14 1 1 A 16 16 LYS C C 16 176.882 177.163 -0.281 1 1 129 . 14 1 1 A 16 16 LYS CA C 16 58.170 58.262 -0.092 1 1 130 . 14 1 1 A 16 16 LYS CB C 16 32.153 32.194 -0.041 1 1 134 . 14 1 1 A 16 16 LYS N N 16 132.264 128.006 4.258 1 1 135 . 14 1 1 A 17 17 GLU H H 17 8.836 7.925 0.911 1 1 136 . 14 1 1 A 17 17 GLU HA H 17 4.201 4.236 -0.035 1 1 141 . 14 1 1 A 17 17 GLU C C 17 177.524 178.133 -0.609 1 1 142 . 14 1 1 A 17 17 GLU CA C 17 58.138 58.172 -0.034 1 1 143 . 14 1 1 A 17 17 GLU CB C 17 29.276 30.069 -0.793 1 1 145 . 14 1 1 A 17 17 GLU N N 17 120.919 117.674 3.245 1 1 146 . 14 1 1 A 18 18 CYS H H 18 8.312 7.973 0.339 1 1 147 . 14 1 1 A 18 18 CYS HA H 18 5.162 4.698 0.464 1 1 150 . 14 1 1 A 18 18 CYS C C 18 176.325 176.032 0.293 1 1 151 . 14 1 1 A 18 18 CYS CA C 18 58.284 58.906 -0.622 1 1 152 . 14 1 1 A 18 18 CYS CB C 18 32.594 30.519 2.075 1 1 153 . 14 1 1 A 18 18 CYS N N 18 115.693 114.415 1.278 1 1 154 . 14 1 1 A 19 19 GLY H H 19 8.106 8.175 -0.069 1 1 155 . 14 1 1 A 19 19 GLY HA2 H 19 4.219 3.980 0.239 1 1 156 . 14 1 1 A 19 19 GLY HA3 H 19 3.757 3.990 -0.233 1 1 157 . 14 1 1 A 19 19 GLY C C 19 173.852 174.667 -0.815 1 1 158 . 14 1 1 A 19 19 GLY CA C 19 46.048 45.047 1.001 1 1 159 . 14 1 1 A 19 19 GLY N N 19 113.172 109.977 3.195 1 1 160 . 14 1 1 A 20 20 MET H H 20 7.952 7.692 0.260 1 1 161 . 14 1 1 A 20 20 MET HA H 20 3.997 4.289 -0.292 1 1 169 . 14 1 1 A 20 20 MET C C 20 173.729 176.273 -2.544 1 1 170 . 14 1 1 A 20 20 MET CA C 20 57.756 56.218 1.538 1 1 171 . 14 1 1 A 20 20 MET CB C 20 33.879 33.188 0.691 1 1 174 . 14 1 1 A 20 20 MET N N 20 122.129 121.339 0.790 1 1 175 . 14 1 1 A 21 21 ASN H H 21 7.960 8.480 -0.520 1 1 176 . 14 1 1 A 21 21 ASN HA H 21 5.375 5.550 -0.175 1 1 181 . 14 1 1 A 21 21 ASN C C 21 173.981 174.181 -0.200 1 1 182 . 14 1 1 A 21 21 ASN CA C 21 52.027 51.749 0.278 1 1 183 . 14 1 1 A 21 21 ASN CB C 21 41.679 40.281 1.398 1 1 184 . 14 1 1 A 21 21 ASN N N 21 119.653 121.444 -1.791 1 1 186 . 14 1 1 A 22 22 PHE H H 22 8.724 8.664 0.060 1 1 187 . 14 1 1 A 22 22 PHE HA H 22 4.722 5.006 -0.284 1 1 195 . 14 1 1 A 22 22 PHE C C 22 175.430 175.836 -0.406 1 1 196 . 14 1 1 A 22 22 PHE CA C 22 57.156 56.632 0.524 1 1 197 . 14 1 1 A 22 22 PHE CB C 22 43.843 42.293 1.550 1 1 203 . 14 1 1 A 22 22 PHE N N 22 116.386 119.362 -2.976 1 1 204 . 14 1 1 A 23 23 SER HA H 23 4.470 4.172 0.298 1 1 207 . 14 1 1 A 23 23 SER CA C 23 60.762 61.621 -0.859 1 1 208 . 14 1 1 A 23 23 SER CB C 23 63.389 62.246 1.143 1 1 209 . 14 1 1 A 24 24 TRP H H 24 7.303 7.748 -0.445 1 1 210 . 14 1 1 A 24 24 TRP HA H 24 5.114 4.840 0.274 1 1 219 . 14 1 1 A 24 24 TRP CA C 24 54.989 57.604 -2.615 1 1 220 . 14 1 1 A 24 24 TRP CB C 24 32.901 30.756 2.145 1 1 226 . 14 1 1 A 24 24 TRP N N 24 116.709 122.899 -6.190 1 1 228 . 14 1 1 A 25 25 SER HA H 25 2.990 2.863 0.127 1 1 231 . 14 1 1 A 25 25 SER CA C 25 61.025 60.774 0.251 1 1 232 . 14 1 1 A 25 25 SER CB C 25 61.769 62.636 -0.867 1 1 233 . 14 1 1 A 26 26 CYS HA H 26 4.272 4.059 0.213 1 1 236 . 14 1 1 A 26 26 CYS CA C 26 60.467 62.972 -2.505 1 1 237 . 14 1 1 A 26 26 CYS CB C 26 26.503 26.379 0.124 1 1 238 . 14 1 1 A 26 26 CYS N N 26 116.694 119.404 -2.710 1 1 239 . 14 1 1 A 27 27 SER HA H 27 4.265 4.119 0.146 1 1 242 . 14 1 1 A 27 27 SER C C 27 176.277 176.215 0.062 1 1 243 . 14 1 1 A 27 27 SER CA C 27 60.808 62.138 -1.330 1 1 244 . 14 1 1 A 27 27 SER CB C 27 62.592 62.737 -0.145 1 1 245 . 14 1 1 A 27 27 SER N N 27 115.000 116.635 -1.635 1 1 246 . 14 1 1 A 28 28 LEU H H 28 6.993 7.955 -0.962 1 1 247 . 14 1 1 A 28 28 LEU HA H 28 3.081 2.510 0.571 1 1 257 . 14 1 1 A 28 28 LEU C C 28 177.247 178.699 -1.452 1 1 258 . 14 1 1 A 28 28 LEU CA C 28 57.825 57.634 0.191 1 1 259 . 14 1 1 A 28 28 LEU CB C 28 40.078 41.402 -1.324 1 1 263 . 14 1 1 A 28 28 LEU N N 28 124.148 122.366 1.782 1 1 264 . 14 1 1 A 29 29 PHE H H 29 8.208 8.386 -0.178 1 1 265 . 14 1 1 A 29 29 PHE HA H 29 4.178 3.940 0.238 1 1 273 . 14 1 1 A 29 29 PHE C C 29 178.527 177.772 0.755 1 1 274 . 14 1 1 A 29 29 PHE CA C 29 61.303 61.773 -0.470 1 1 275 . 14 1 1 A 29 29 PHE CB C 29 37.971 39.081 -1.110 1 1 281 . 14 1 1 A 29 29 PHE N N 29 118.075 119.321 -1.246 1 1 282 . 14 1 1 A 30 30 LYS H H 30 7.660 7.904 -0.244 1 1 283 . 14 1 1 A 30 30 LYS HA H 30 3.959 4.004 -0.045 1 1 292 . 14 1 1 A 30 30 LYS C C 30 179.126 178.672 0.454 1 1 293 . 14 1 1 A 30 30 LYS CA C 30 59.586 59.277 0.309 1 1 294 . 14 1 1 A 30 30 LYS CB C 30 32.503 31.982 0.521 1 1 298 . 14 1 1 A 30 30 LYS N N 30 118.194 117.905 0.289 1 1 299 . 14 1 1 A 31 31 HIS H H 31 7.637 8.243 -0.606 1 1 300 . 14 1 1 A 31 31 HIS HA H 31 4.205 4.245 -0.040 1 1 305 . 14 1 1 A 31 31 HIS C C 31 177.985 176.920 1.065 1 1 306 . 14 1 1 A 31 31 HIS CA C 31 59.463 59.084 0.379 1 1 307 . 14 1 1 A 31 31 HIS CB C 31 28.534 29.903 -1.369 1 1 310 . 14 1 1 A 31 31 HIS N N 31 119.604 119.687 -0.083 1 1 311 . 14 1 1 A 32 32 LEU H H 32 8.690 8.623 0.067 1 1 312 . 14 1 1 A 32 32 LEU HA H 32 3.861 4.017 -0.156 1 1 322 . 14 1 1 A 32 32 LEU C C 32 179.506 179.402 0.104 1 1 323 . 14 1 1 A 32 32 LEU CA C 32 58.447 58.107 0.340 1 1 324 . 14 1 1 A 32 32 LEU CB C 32 41.560 41.208 0.352 1 1 328 . 14 1 1 A 32 32 LEU N N 32 121.283 119.266 2.017 1 1 329 . 14 1 1 A 33 33 ARG H H 33 7.178 7.880 -0.702 1 1 330 . 14 1 1 A 33 33 ARG HA H 33 4.071 3.962 0.109 1 1 337 . 14 1 1 A 33 33 ARG C C 33 178.314 178.183 0.131 1 1 338 . 14 1 1 A 33 33 ARG CA C 33 58.320 58.465 -0.145 1 1 339 . 14 1 1 A 33 33 ARG CB C 33 29.531 29.646 -0.115 1 1 342 . 14 1 1 A 33 33 ARG N N 33 117.400 117.993 -0.593 1 1 343 . 14 1 1 A 34 34 SER H H 34 7.837 8.165 -0.328 1 1 344 . 14 1 1 A 34 34 SER HA H 34 4.196 4.147 0.049 1 1 347 . 14 1 1 A 34 34 SER C C 34 174.873 175.161 -0.288 1 1 348 . 14 1 1 A 34 34 SER CA C 34 60.482 60.258 0.224 1 1 349 . 14 1 1 A 34 34 SER CB C 34 63.140 62.358 0.782 1 1 350 . 14 1 1 A 34 34 SER N N 34 114.440 114.854 -0.414 1 1 351 . 14 1 1 A 35 35 HIS H H 35 7.204 8.079 -0.875 1 1 352 . 14 1 1 A 35 35 HIS HA H 35 4.773 4.530 0.243 1 1 357 . 14 1 1 A 35 35 HIS C C 35 174.959 177.453 -2.494 1 1 358 . 14 1 1 A 35 35 HIS CA C 35 55.192 57.718 -2.526 1 1 359 . 14 1 1 A 35 35 HIS CB C 35 29.005 31.203 -2.198 1 1 362 . 14 1 1 A 35 35 HIS N N 35 118.479 117.436 1.043 1 1 363 . 14 1 1 A 36 36 GLU H H 36 7.583 8.155 -0.572 1 1 364 . 14 1 1 A 36 36 GLU HA H 36 4.256 4.105 0.151 1 1 369 . 14 1 1 A 36 36 GLU C C 36 176.328 176.221 0.107 1 1 370 . 14 1 1 A 36 36 GLU CA C 36 56.841 58.234 -1.393 1 1 371 . 14 1 1 A 36 36 GLU CB C 36 30.329 28.535 1.794 1 1 373 . 14 1 1 A 36 36 GLU N N 36 120.262 116.497 3.765 1 1 374 . 14 1 1 A 37 37 ARG H H 37 8.387 7.367 1.020 1 1 375 . 14 1 1 A 37 37 ARG HA H 37 4.453 4.954 -0.501 1 1 382 . 14 1 1 A 37 37 ARG C C 37 176.254 174.307 1.947 1 1 383 . 14 1 1 A 37 37 ARG CA C 37 55.900 54.611 1.289 1 1 384 . 14 1 1 A 37 37 ARG CB C 37 30.906 33.912 -3.006 1 1 387 . 14 1 1 A 37 37 ARG N N 37 122.086 119.856 2.230 1 1 388 . 14 1 1 A 38 38 THR H H 38 8.275 8.771 -0.496 1 1 389 . 14 1 1 A 38 38 THR HA H 38 4.328 4.755 -0.427 1 1 394 . 14 1 1 A 38 38 THR C C 38 174.006 172.855 1.151 1 1 395 . 14 1 1 A 38 38 THR CA C 38 61.731 61.254 0.477 1 1 396 . 14 1 1 A 38 38 THR CB C 38 69.937 72.459 -2.522 1 1 398 . 14 1 1 A 38 38 THR N N 38 115.922 119.218 -3.296 1 1 399 . 14 1 1 A 39 39 ASP H H 39 8.437 8.721 -0.284 1 1 400 . 14 1 1 A 39 39 ASP HA H 39 4.900 4.848 0.052 1 1 403 . 14 1 1 A 39 39 ASP C C 39 174.780 175.871 -1.091 1 1 404 . 14 1 1 A 39 39 ASP CA C 39 52.198 52.570 -0.372 1 1 405 . 14 1 1 A 39 39 ASP CB C 39 41.197 40.036 1.161 1 1 406 . 14 1 1 A 39 39 ASP N N 39 124.343 126.503 -2.160 1 1 407 . 14 1 1 A 40 40 PRO HA H 40 4.467 4.447 0.020 1 1 414 . 14 1 1 A 40 40 PRO CA C 40 63.632 64.039 -0.407 1 1 415 . 14 1 1 A 40 40 PRO CB C 40 32.113 31.498 0.615 1 1 418 . 14 1 1 A 41 41 SER H H 41 8.481 7.370 1.111 1 1 419 . 14 1 1 A 41 41 SER HA H 41 4.463 4.845 -0.382 1 1 422 . 14 1 1 A 41 41 SER CA C 41 58.677 56.439 2.238 1 1 423 . 14 1 1 A 41 41 SER CB C 41 63.874 66.292 -2.418 1 1 424 . 14 1 1 A 41 41 SER N N 41 115.801 110.517 5.284 1 1 425 . 14 1 1 A 42 42 GLY H H 42 8.086 8.566 -0.480 1 1 426 . 14 1 1 A 42 42 GLY HA2 H 42 4.173 4.043 0.130 1 1 427 . 14 1 1 A 42 42 GLY HA3 H 42 4.065 4.046 0.019 1 1 428 . 14 1 1 A 42 42 GLY CA C 42 44.752 44.555 0.197 1 1 429 . 14 1 1 A 42 42 GLY N N 42 110.426 108.211 2.215 1 1 430 . 14 1 1 A 43 43 PRO HA H 43 4.488 4.557 -0.069 1 1 437 . 14 1 1 A 43 43 PRO CA C 43 63.241 62.670 0.571 1 1 438 . 14 1 1 A 43 43 PRO CB C 43 32.157 31.769 0.388 1 1 1 . 15 1 1 A 4 4 GLY HA2 H 4 4.452 3.834 0.618 1 1 2 . 15 1 1 A 4 4 GLY HA3 H 4 4.452 3.834 0.618 1 1 3 . 15 1 1 A 4 4 GLY C C 4 177.372 173.615 3.757 1 1 4 . 15 1 1 A 5 5 SER H H 5 8.514 7.853 0.661 1 1 5 . 15 1 1 A 5 5 SER HA H 5 4.517 4.893 -0.376 1 1 8 . 15 1 1 A 5 5 SER C C 5 174.470 175.026 -0.556 1 1 9 . 15 1 1 A 5 5 SER CA C 5 58.246 56.365 1.881 1 1 10 . 15 1 1 A 5 5 SER CB C 5 63.845 64.961 -1.116 1 1 11 . 15 1 1 A 5 5 SER N N 5 116.459 115.195 1.264 1 1 12 . 15 1 1 A 6 6 SER C C 6 173.892 174.673 -0.781 1 1 13 . 15 1 1 A 6 6 SER CA C 6 58.410 60.548 -2.138 1 1 14 . 15 1 1 A 6 6 SER CB C 6 64.048 63.406 0.642 1 1 15 . 15 1 1 A 6 6 SER N N 6 118.058 118.847 -0.789 1 1 16 . 15 1 1 A 7 7 GLY HA2 H 7 4.032 4.016 0.016 1 1 17 . 15 1 1 A 7 7 GLY HA3 H 7 4.032 4.021 0.011 1 1 18 . 15 1 1 A 7 7 GLY C C 7 174.503 172.477 2.026 1 1 19 . 15 1 1 A 7 7 GLY CA C 7 45.426 45.931 -0.505 1 1 20 . 15 1 1 A 7 7 GLY N N 7 117.426 107.515 9.911 1 1 21 . 15 1 1 A 8 8 THR H H 8 8.134 8.500 -0.366 1 1 22 . 15 1 1 A 8 8 THR HA H 8 4.361 4.240 0.121 1 1 27 . 15 1 1 A 8 8 THR C C 8 175.191 174.314 0.877 1 1 28 . 15 1 1 A 8 8 THR CA C 8 61.847 63.181 -1.334 1 1 29 . 15 1 1 A 8 8 THR CB C 8 69.840 69.210 0.630 1 1 31 . 15 1 1 A 8 8 THR N N 8 112.760 117.832 -5.072 1 1 32 . 15 1 1 A 9 9 GLY H H 9 8.413 8.487 -0.074 1 1 33 . 15 1 1 A 9 9 GLY HA2 H 9 3.947 4.080 -0.133 1 1 34 . 15 1 1 A 9 9 GLY HA3 H 9 3.900 4.083 -0.183 1 1 35 . 15 1 1 A 9 9 GLY C C 9 174.023 171.929 2.094 1 1 36 . 15 1 1 A 9 9 GLY CA C 9 45.259 44.086 1.173 1 1 37 . 15 1 1 A 9 9 GLY N N 9 110.903 112.924 -2.021 1 1 38 . 15 1 1 A 10 10 GLU H H 10 8.200 8.566 -0.366 1 1 39 . 15 1 1 A 10 10 GLU HA H 10 4.168 5.171 -1.003 1 1 44 . 15 1 1 A 10 10 GLU C C 10 176.430 174.275 2.155 1 1 45 . 15 1 1 A 10 10 GLU CA C 10 56.773 54.649 2.124 1 1 46 . 15 1 1 A 10 10 GLU CB C 10 30.405 34.059 -3.654 1 1 48 . 15 1 1 A 10 10 GLU N N 10 120.140 118.545 1.595 1 1 49 . 15 1 1 A 11 11 LYS H H 11 8.325 8.584 -0.259 1 1 50 . 15 1 1 A 11 11 LYS HA H 11 4.496 4.832 -0.336 1 1 59 . 15 1 1 A 11 11 LYS C C 11 174.166 175.970 -1.804 1 1 60 . 15 1 1 A 11 11 LYS CA C 11 53.920 52.982 0.938 1 1 61 . 15 1 1 A 11 11 LYS CB C 11 33.107 34.886 -1.779 1 1 65 . 15 1 1 A 11 11 LYS N N 11 122.011 120.028 1.983 1 1 66 . 15 1 1 A 12 12 PRO HA H 12 4.242 4.237 0.005 1 1 73 . 15 1 1 A 12 12 PRO C C 12 176.359 176.202 0.157 1 1 74 . 15 1 1 A 12 12 PRO CA C 12 63.623 64.822 -1.199 1 1 75 . 15 1 1 A 12 12 PRO CB C 12 32.138 31.603 0.535 1 1 78 . 15 1 1 A 13 13 PHE H H 13 7.984 7.911 0.073 1 1 79 . 15 1 1 A 13 13 PHE HA H 13 4.695 5.011 -0.316 1 1 87 . 15 1 1 A 13 13 PHE C C 13 174.248 174.838 -0.590 1 1 88 . 15 1 1 A 13 13 PHE CA C 13 56.993 57.526 -0.533 1 1 89 . 15 1 1 A 13 13 PHE CB C 13 39.591 41.224 -1.633 1 1 95 . 15 1 1 A 13 13 PHE N N 13 118.237 117.939 0.298 1 1 96 . 15 1 1 A 14 14 GLN H H 14 8.591 8.835 -0.244 1 1 97 . 15 1 1 A 14 14 GLN HA H 14 5.175 4.997 0.178 1 1 104 . 15 1 1 A 14 14 GLN C C 14 174.744 174.272 0.472 1 1 105 . 15 1 1 A 14 14 GLN CA C 14 54.668 54.551 0.117 1 1 106 . 15 1 1 A 14 14 GLN CB C 14 32.675 32.909 -0.234 1 1 108 . 15 1 1 A 14 14 GLN N N 14 123.552 120.717 2.835 1 1 110 . 15 1 1 A 15 15 CYS H H 15 9.221 9.373 -0.152 1 1 111 . 15 1 1 A 15 15 CYS HA H 15 4.576 4.541 0.035 1 1 114 . 15 1 1 A 15 15 CYS C C 15 177.443 175.638 1.805 1 1 115 . 15 1 1 A 15 15 CYS CA C 15 59.565 59.178 0.387 1 1 116 . 15 1 1 A 15 15 CYS CB C 15 29.940 28.386 1.554 1 1 117 . 15 1 1 A 15 15 CYS N N 15 128.096 123.579 4.517 1 1 118 . 15 1 1 A 16 16 LYS H H 16 9.439 9.055 0.384 1 1 119 . 15 1 1 A 16 16 LYS HA H 16 4.204 4.413 -0.209 1 1 128 . 15 1 1 A 16 16 LYS C C 16 176.882 176.774 0.108 1 1 129 . 15 1 1 A 16 16 LYS CA C 16 58.170 57.091 1.079 1 1 130 . 15 1 1 A 16 16 LYS CB C 16 32.153 32.149 0.004 1 1 134 . 15 1 1 A 16 16 LYS N N 16 132.264 128.773 3.491 1 1 135 . 15 1 1 A 17 17 GLU H H 17 8.836 7.970 0.866 1 1 136 . 15 1 1 A 17 17 GLU HA H 17 4.201 4.250 -0.049 1 1 141 . 15 1 1 A 17 17 GLU C C 17 177.524 178.041 -0.517 1 1 142 . 15 1 1 A 17 17 GLU CA C 17 58.138 57.385 0.753 1 1 143 . 15 1 1 A 17 17 GLU CB C 17 29.276 30.159 -0.883 1 1 145 . 15 1 1 A 17 17 GLU N N 17 120.919 116.950 3.969 1 1 146 . 15 1 1 A 18 18 CYS H H 18 8.312 7.966 0.346 1 1 147 . 15 1 1 A 18 18 CYS HA H 18 5.162 4.689 0.473 1 1 150 . 15 1 1 A 18 18 CYS C C 18 176.325 176.070 0.255 1 1 151 . 15 1 1 A 18 18 CYS CA C 18 58.284 58.965 -0.681 1 1 152 . 15 1 1 A 18 18 CYS CB C 18 32.594 30.498 2.096 1 1 153 . 15 1 1 A 18 18 CYS N N 18 115.693 114.550 1.143 1 1 154 . 15 1 1 A 19 19 GLY H H 19 8.106 8.151 -0.045 1 1 155 . 15 1 1 A 19 19 GLY HA2 H 19 4.219 3.996 0.223 1 1 156 . 15 1 1 A 19 19 GLY HA3 H 19 3.757 4.002 -0.245 1 1 157 . 15 1 1 A 19 19 GLY C C 19 173.852 174.563 -0.711 1 1 158 . 15 1 1 A 19 19 GLY CA C 19 46.048 45.086 0.962 1 1 159 . 15 1 1 A 19 19 GLY N N 19 113.172 110.031 3.141 1 1 160 . 15 1 1 A 20 20 MET H H 20 7.952 7.707 0.245 1 1 161 . 15 1 1 A 20 20 MET HA H 20 3.997 4.276 -0.279 1 1 169 . 15 1 1 A 20 20 MET C C 20 173.729 176.351 -2.622 1 1 170 . 15 1 1 A 20 20 MET CA C 20 57.756 56.225 1.531 1 1 171 . 15 1 1 A 20 20 MET CB C 20 33.879 33.192 0.687 1 1 174 . 15 1 1 A 20 20 MET N N 20 122.129 121.296 0.833 1 1 175 . 15 1 1 A 21 21 ASN H H 21 7.960 8.380 -0.420 1 1 176 . 15 1 1 A 21 21 ASN HA H 21 5.375 5.617 -0.242 1 1 181 . 15 1 1 A 21 21 ASN C C 21 173.981 173.964 0.017 1 1 182 . 15 1 1 A 21 21 ASN CA C 21 52.027 51.618 0.409 1 1 183 . 15 1 1 A 21 21 ASN CB C 21 41.679 40.493 1.186 1 1 184 . 15 1 1 A 21 21 ASN N N 21 119.653 121.534 -1.881 1 1 186 . 15 1 1 A 22 22 PHE H H 22 8.724 8.625 0.099 1 1 187 . 15 1 1 A 22 22 PHE HA H 22 4.722 5.024 -0.302 1 1 195 . 15 1 1 A 22 22 PHE C C 22 175.430 175.885 -0.455 1 1 196 . 15 1 1 A 22 22 PHE CA C 22 57.156 56.666 0.490 1 1 197 . 15 1 1 A 22 22 PHE CB C 22 43.843 41.904 1.939 1 1 203 . 15 1 1 A 22 22 PHE N N 22 116.386 117.923 -1.537 1 1 204 . 15 1 1 A 23 23 SER HA H 23 4.470 4.142 0.328 1 1 207 . 15 1 1 A 23 23 SER CA C 23 60.762 61.219 -0.457 1 1 208 . 15 1 1 A 23 23 SER CB C 23 63.389 62.743 0.646 1 1 209 . 15 1 1 A 24 24 TRP H H 24 7.303 7.824 -0.521 1 1 210 . 15 1 1 A 24 24 TRP HA H 24 5.114 4.859 0.255 1 1 219 . 15 1 1 A 24 24 TRP CA C 24 54.989 57.313 -2.324 1 1 220 . 15 1 1 A 24 24 TRP CB C 24 32.901 31.294 1.607 1 1 226 . 15 1 1 A 24 24 TRP N N 24 116.709 120.197 -3.488 1 1 228 . 15 1 1 A 25 25 SER HA H 25 2.990 3.005 -0.015 1 1 231 . 15 1 1 A 25 25 SER CA C 25 61.025 60.560 0.465 1 1 232 . 15 1 1 A 25 25 SER CB C 25 61.769 62.676 -0.907 1 1 233 . 15 1 1 A 26 26 CYS HA H 26 4.272 4.091 0.181 1 1 236 . 15 1 1 A 26 26 CYS CA C 26 60.467 63.087 -2.620 1 1 237 . 15 1 1 A 26 26 CYS CB C 26 26.503 26.516 -0.013 1 1 238 . 15 1 1 A 26 26 CYS N N 26 116.694 119.568 -2.874 1 1 239 . 15 1 1 A 27 27 SER HA H 27 4.265 4.055 0.210 1 1 242 . 15 1 1 A 27 27 SER C C 27 176.277 176.149 0.128 1 1 243 . 15 1 1 A 27 27 SER CA C 27 60.808 62.152 -1.344 1 1 244 . 15 1 1 A 27 27 SER CB C 27 62.592 62.600 -0.008 1 1 245 . 15 1 1 A 27 27 SER N N 27 115.000 116.613 -1.613 1 1 246 . 15 1 1 A 28 28 LEU H H 28 6.993 7.989 -0.996 1 1 247 . 15 1 1 A 28 28 LEU HA H 28 3.081 2.391 0.690 1 1 257 . 15 1 1 A 28 28 LEU C C 28 177.247 178.701 -1.454 1 1 258 . 15 1 1 A 28 28 LEU CA C 28 57.825 57.739 0.086 1 1 259 . 15 1 1 A 28 28 LEU CB C 28 40.078 41.413 -1.335 1 1 263 . 15 1 1 A 28 28 LEU N N 28 124.148 122.181 1.967 1 1 264 . 15 1 1 A 29 29 PHE H H 29 8.208 8.188 0.020 1 1 265 . 15 1 1 A 29 29 PHE HA H 29 4.178 3.936 0.242 1 1 273 . 15 1 1 A 29 29 PHE C C 29 178.527 177.765 0.762 1 1 274 . 15 1 1 A 29 29 PHE CA C 29 61.303 61.929 -0.626 1 1 275 . 15 1 1 A 29 29 PHE CB C 29 37.971 39.055 -1.084 1 1 281 . 15 1 1 A 29 29 PHE N N 29 118.075 119.395 -1.320 1 1 282 . 15 1 1 A 30 30 LYS H H 30 7.660 8.005 -0.345 1 1 283 . 15 1 1 A 30 30 LYS HA H 30 3.959 4.116 -0.157 1 1 292 . 15 1 1 A 30 30 LYS C C 30 179.126 178.834 0.292 1 1 293 . 15 1 1 A 30 30 LYS CA C 30 59.586 59.255 0.331 1 1 294 . 15 1 1 A 30 30 LYS CB C 30 32.503 31.973 0.530 1 1 298 . 15 1 1 A 30 30 LYS N N 30 118.194 118.506 -0.312 1 1 299 . 15 1 1 A 31 31 HIS H H 31 7.637 8.295 -0.658 1 1 300 . 15 1 1 A 31 31 HIS HA H 31 4.205 4.230 -0.025 1 1 305 . 15 1 1 A 31 31 HIS C C 31 177.985 176.969 1.016 1 1 306 . 15 1 1 A 31 31 HIS CA C 31 59.463 59.076 0.387 1 1 307 . 15 1 1 A 31 31 HIS CB C 31 28.534 29.918 -1.384 1 1 310 . 15 1 1 A 31 31 HIS N N 31 119.604 119.705 -0.101 1 1 311 . 15 1 1 A 32 32 LEU H H 32 8.690 8.721 -0.031 1 1 312 . 15 1 1 A 32 32 LEU HA H 32 3.861 3.986 -0.125 1 1 322 . 15 1 1 A 32 32 LEU C C 32 179.506 179.199 0.307 1 1 323 . 15 1 1 A 32 32 LEU CA C 32 58.447 57.980 0.467 1 1 324 . 15 1 1 A 32 32 LEU CB C 32 41.560 41.239 0.321 1 1 328 . 15 1 1 A 32 32 LEU N N 32 121.283 119.493 1.790 1 1 329 . 15 1 1 A 33 33 ARG H H 33 7.178 7.945 -0.767 1 1 330 . 15 1 1 A 33 33 ARG HA H 33 4.071 4.010 0.061 1 1 337 . 15 1 1 A 33 33 ARG C C 33 178.314 177.701 0.613 1 1 338 . 15 1 1 A 33 33 ARG CA C 33 58.320 58.581 -0.261 1 1 339 . 15 1 1 A 33 33 ARG CB C 33 29.531 30.022 -0.491 1 1 342 . 15 1 1 A 33 33 ARG N N 33 117.400 117.819 -0.419 1 1 343 . 15 1 1 A 34 34 SER H H 34 7.837 8.063 -0.226 1 1 344 . 15 1 1 A 34 34 SER HA H 34 4.196 4.115 0.081 1 1 347 . 15 1 1 A 34 34 SER C C 34 174.873 175.347 -0.474 1 1 348 . 15 1 1 A 34 34 SER CA C 34 60.482 60.997 -0.515 1 1 349 . 15 1 1 A 34 34 SER CB C 34 63.140 62.346 0.794 1 1 350 . 15 1 1 A 34 34 SER N N 34 114.440 114.607 -0.167 1 1 351 . 15 1 1 A 35 35 HIS H H 35 7.204 7.911 -0.707 1 1 352 . 15 1 1 A 35 35 HIS HA H 35 4.773 4.509 0.264 1 1 357 . 15 1 1 A 35 35 HIS C C 35 174.959 177.524 -2.565 1 1 358 . 15 1 1 A 35 35 HIS CA C 35 55.192 57.821 -2.629 1 1 359 . 15 1 1 A 35 35 HIS CB C 35 29.005 31.206 -2.201 1 1 362 . 15 1 1 A 35 35 HIS N N 35 118.479 118.857 -0.378 1 1 363 . 15 1 1 A 36 36 GLU H H 36 7.583 8.534 -0.951 1 1 364 . 15 1 1 A 36 36 GLU HA H 36 4.256 4.041 0.215 1 1 369 . 15 1 1 A 36 36 GLU C C 36 176.328 176.806 -0.478 1 1 370 . 15 1 1 A 36 36 GLU CA C 36 56.841 58.470 -1.629 1 1 371 . 15 1 1 A 36 36 GLU CB C 36 30.329 29.000 1.329 1 1 373 . 15 1 1 A 36 36 GLU N N 36 120.262 116.789 3.473 1 1 374 . 15 1 1 A 37 37 ARG H H 37 8.387 7.562 0.825 1 1 375 . 15 1 1 A 37 37 ARG HA H 37 4.453 4.747 -0.294 1 1 382 . 15 1 1 A 37 37 ARG C C 37 176.254 175.134 1.120 1 1 383 . 15 1 1 A 37 37 ARG CA C 37 55.900 55.382 0.518 1 1 384 . 15 1 1 A 37 37 ARG CB C 37 30.906 31.536 -0.630 1 1 387 . 15 1 1 A 37 37 ARG N N 37 122.086 118.055 4.031 1 1 388 . 15 1 1 A 38 38 THR H H 38 8.275 8.686 -0.411 1 1 389 . 15 1 1 A 38 38 THR HA H 38 4.328 4.860 -0.532 1 1 394 . 15 1 1 A 38 38 THR C C 38 174.006 174.145 -0.139 1 1 395 . 15 1 1 A 38 38 THR CA C 38 61.731 61.535 0.196 1 1 396 . 15 1 1 A 38 38 THR CB C 38 69.937 71.692 -1.755 1 1 398 . 15 1 1 A 38 38 THR N N 38 115.922 115.084 0.838 1 1 399 . 15 1 1 A 39 39 ASP H H 39 8.437 8.791 -0.354 1 1 400 . 15 1 1 A 39 39 ASP HA H 39 4.900 4.527 0.373 1 1 403 . 15 1 1 A 39 39 ASP C C 39 174.780 176.614 -1.834 1 1 404 . 15 1 1 A 39 39 ASP CA C 39 52.198 59.049 -6.851 1 1 405 . 15 1 1 A 39 39 ASP CB C 39 41.197 38.859 2.338 1 1 406 . 15 1 1 A 39 39 ASP N N 39 124.343 126.254 -1.911 1 1 407 . 15 1 1 A 40 40 PRO HA H 40 4.467 4.556 -0.089 1 1 414 . 15 1 1 A 40 40 PRO CA C 40 63.632 62.816 0.816 1 1 415 . 15 1 1 A 40 40 PRO CB C 40 32.113 31.441 0.672 1 1 418 . 15 1 1 A 41 41 SER H H 41 8.481 8.604 -0.123 1 1 419 . 15 1 1 A 41 41 SER HA H 41 4.463 4.596 -0.133 1 1 422 . 15 1 1 A 41 41 SER CA C 41 58.677 57.748 0.929 1 1 423 . 15 1 1 A 41 41 SER CB C 41 63.874 62.662 1.212 1 1 424 . 15 1 1 A 41 41 SER N N 41 115.801 118.569 -2.768 1 1 425 . 15 1 1 A 42 42 GLY H H 42 8.086 7.954 0.132 1 1 426 . 15 1 1 A 42 42 GLY HA2 H 42 4.173 4.137 0.036 1 1 427 . 15 1 1 A 42 42 GLY HA3 H 42 4.065 4.137 -0.072 1 1 428 . 15 1 1 A 42 42 GLY CA C 42 44.752 45.294 -0.542 1 1 429 . 15 1 1 A 42 42 GLY N N 42 110.426 114.134 -3.708 1 1 430 . 15 1 1 A 43 43 PRO HA H 43 4.488 4.750 -0.262 1 1 437 . 15 1 1 A 43 43 PRO CA C 43 63.241 62.690 0.551 1 1 438 . 15 1 1 A 43 43 PRO CB C 43 32.157 31.538 0.619 1 1 1 . 16 1 1 A 4 4 GLY HA2 H 4 4.452 3.955 0.497 1 1 2 . 16 1 1 A 4 4 GLY HA3 H 4 4.452 3.956 0.496 1 1 3 . 16 1 1 A 4 4 GLY C C 4 177.372 174.011 3.361 1 1 4 . 16 1 1 A 5 5 SER H H 5 8.514 8.379 0.135 1 1 5 . 16 1 1 A 5 5 SER HA H 5 4.517 4.545 -0.028 1 1 8 . 16 1 1 A 5 5 SER C C 5 174.470 174.437 0.033 1 1 9 . 16 1 1 A 5 5 SER CA C 5 58.246 60.197 -1.951 1 1 10 . 16 1 1 A 5 5 SER CB C 5 63.845 63.935 -0.090 1 1 11 . 16 1 1 A 5 5 SER N N 5 116.459 118.489 -2.030 1 1 12 . 16 1 1 A 6 6 SER C C 6 173.892 174.032 -0.140 1 1 13 . 16 1 1 A 6 6 SER CA C 6 58.410 57.197 1.213 1 1 14 . 16 1 1 A 6 6 SER CB C 6 64.048 64.543 -0.495 1 1 15 . 16 1 1 A 6 6 SER N N 6 118.058 112.476 5.582 1 1 16 . 16 1 1 A 7 7 GLY HA2 H 7 4.032 4.234 -0.202 1 1 17 . 16 1 1 A 7 7 GLY HA3 H 7 4.032 4.238 -0.206 1 1 18 . 16 1 1 A 7 7 GLY C C 7 174.503 174.319 0.184 1 1 19 . 16 1 1 A 7 7 GLY CA C 7 45.426 44.998 0.428 1 1 20 . 16 1 1 A 7 7 GLY N N 7 117.426 110.797 6.629 1 1 21 . 16 1 1 A 8 8 THR H H 8 8.134 8.621 -0.487 1 1 22 . 16 1 1 A 8 8 THR HA H 8 4.361 4.408 -0.047 1 1 27 . 16 1 1 A 8 8 THR C C 8 175.191 174.239 0.952 1 1 28 . 16 1 1 A 8 8 THR CA C 8 61.847 63.183 -1.336 1 1 29 . 16 1 1 A 8 8 THR CB C 8 69.840 70.780 -0.940 1 1 31 . 16 1 1 A 8 8 THR N N 8 112.760 116.112 -3.352 1 1 32 . 16 1 1 A 9 9 GLY H H 9 8.413 7.315 1.098 1 1 33 . 16 1 1 A 9 9 GLY HA2 H 9 3.947 4.090 -0.143 1 1 34 . 16 1 1 A 9 9 GLY HA3 H 9 3.900 4.104 -0.204 1 1 35 . 16 1 1 A 9 9 GLY C C 9 174.023 171.863 2.160 1 1 36 . 16 1 1 A 9 9 GLY CA C 9 45.259 44.661 0.598 1 1 37 . 16 1 1 A 9 9 GLY N N 9 110.903 108.481 2.422 1 1 38 . 16 1 1 A 10 10 GLU H H 10 8.200 8.448 -0.248 1 1 39 . 16 1 1 A 10 10 GLU HA H 10 4.168 4.759 -0.591 1 1 44 . 16 1 1 A 10 10 GLU C C 10 176.430 175.132 1.298 1 1 45 . 16 1 1 A 10 10 GLU CA C 10 56.773 54.597 2.176 1 1 46 . 16 1 1 A 10 10 GLU CB C 10 30.405 32.294 -1.889 1 1 48 . 16 1 1 A 10 10 GLU N N 10 120.140 122.284 -2.144 1 1 49 . 16 1 1 A 11 11 LYS H H 11 8.325 8.417 -0.092 1 1 50 . 16 1 1 A 11 11 LYS HA H 11 4.496 5.015 -0.519 1 1 59 . 16 1 1 A 11 11 LYS C C 11 174.166 175.179 -1.013 1 1 60 . 16 1 1 A 11 11 LYS CA C 11 53.920 53.247 0.673 1 1 61 . 16 1 1 A 11 11 LYS CB C 11 33.107 33.559 -0.452 1 1 65 . 16 1 1 A 11 11 LYS N N 11 122.011 122.383 -0.372 1 1 66 . 16 1 1 A 12 12 PRO HA H 12 4.242 4.349 -0.107 1 1 73 . 16 1 1 A 12 12 PRO C C 12 176.359 176.071 0.288 1 1 74 . 16 1 1 A 12 12 PRO CA C 12 63.623 64.585 -0.962 1 1 75 . 16 1 1 A 12 12 PRO CB C 12 32.138 31.910 0.228 1 1 78 . 16 1 1 A 13 13 PHE H H 13 7.984 7.270 0.714 1 1 79 . 16 1 1 A 13 13 PHE HA H 13 4.695 5.090 -0.395 1 1 87 . 16 1 1 A 13 13 PHE C C 13 174.248 174.632 -0.384 1 1 88 . 16 1 1 A 13 13 PHE CA C 13 56.993 57.237 -0.244 1 1 89 . 16 1 1 A 13 13 PHE CB C 13 39.591 41.664 -2.073 1 1 95 . 16 1 1 A 13 13 PHE N N 13 118.237 118.227 0.010 1 1 96 . 16 1 1 A 14 14 GLN H H 14 8.591 8.917 -0.326 1 1 97 . 16 1 1 A 14 14 GLN HA H 14 5.175 5.042 0.133 1 1 104 . 16 1 1 A 14 14 GLN C C 14 174.744 174.067 0.677 1 1 105 . 16 1 1 A 14 14 GLN CA C 14 54.668 54.369 0.299 1 1 106 . 16 1 1 A 14 14 GLN CB C 14 32.675 32.912 -0.237 1 1 108 . 16 1 1 A 14 14 GLN N N 14 123.552 120.771 2.781 1 1 110 . 16 1 1 A 15 15 CYS H H 15 9.221 9.281 -0.060 1 1 111 . 16 1 1 A 15 15 CYS HA H 15 4.576 4.734 -0.158 1 1 114 . 16 1 1 A 15 15 CYS C C 15 177.443 175.659 1.784 1 1 115 . 16 1 1 A 15 15 CYS CA C 15 59.565 58.606 0.959 1 1 116 . 16 1 1 A 15 15 CYS CB C 15 29.940 29.032 0.908 1 1 117 . 16 1 1 A 15 15 CYS N N 15 128.096 123.295 4.801 1 1 118 . 16 1 1 A 16 16 LYS H H 16 9.439 9.076 0.363 1 1 119 . 16 1 1 A 16 16 LYS HA H 16 4.204 4.468 -0.264 1 1 128 . 16 1 1 A 16 16 LYS C C 16 176.882 176.845 0.037 1 1 129 . 16 1 1 A 16 16 LYS CA C 16 58.170 57.017 1.153 1 1 130 . 16 1 1 A 16 16 LYS CB C 16 32.153 32.178 -0.025 1 1 134 . 16 1 1 A 16 16 LYS N N 16 132.264 128.439 3.825 1 1 135 . 16 1 1 A 17 17 GLU H H 17 8.836 7.985 0.851 1 1 136 . 16 1 1 A 17 17 GLU HA H 17 4.201 4.272 -0.071 1 1 141 . 16 1 1 A 17 17 GLU C C 17 177.524 178.062 -0.538 1 1 142 . 16 1 1 A 17 17 GLU CA C 17 58.138 57.410 0.728 1 1 143 . 16 1 1 A 17 17 GLU CB C 17 29.276 30.178 -0.902 1 1 145 . 16 1 1 A 17 17 GLU N N 17 120.919 117.041 3.878 1 1 146 . 16 1 1 A 18 18 CYS H H 18 8.312 7.977 0.335 1 1 147 . 16 1 1 A 18 18 CYS HA H 18 5.162 4.731 0.431 1 1 150 . 16 1 1 A 18 18 CYS C C 18 176.325 176.099 0.226 1 1 151 . 16 1 1 A 18 18 CYS CA C 18 58.284 58.989 -0.705 1 1 152 . 16 1 1 A 18 18 CYS CB C 18 32.594 30.582 2.012 1 1 153 . 16 1 1 A 18 18 CYS N N 18 115.693 115.029 0.664 1 1 154 . 16 1 1 A 19 19 GLY H H 19 8.106 8.159 -0.053 1 1 155 . 16 1 1 A 19 19 GLY HA2 H 19 4.219 3.927 0.292 1 1 156 . 16 1 1 A 19 19 GLY HA3 H 19 3.757 3.936 -0.179 1 1 157 . 16 1 1 A 19 19 GLY C C 19 173.852 174.723 -0.871 1 1 158 . 16 1 1 A 19 19 GLY CA C 19 46.048 45.160 0.888 1 1 159 . 16 1 1 A 19 19 GLY N N 19 113.172 110.154 3.018 1 1 160 . 16 1 1 A 20 20 MET H H 20 7.952 7.657 0.295 1 1 161 . 16 1 1 A 20 20 MET HA H 20 3.997 4.302 -0.305 1 1 169 . 16 1 1 A 20 20 MET C C 20 173.729 176.196 -2.467 1 1 170 . 16 1 1 A 20 20 MET CA C 20 57.756 56.131 1.625 1 1 171 . 16 1 1 A 20 20 MET CB C 20 33.879 33.121 0.758 1 1 174 . 16 1 1 A 20 20 MET N N 20 122.129 121.017 1.112 1 1 175 . 16 1 1 A 21 21 ASN H H 21 7.960 8.531 -0.571 1 1 176 . 16 1 1 A 21 21 ASN HA H 21 5.375 5.544 -0.169 1 1 181 . 16 1 1 A 21 21 ASN C C 21 173.981 174.340 -0.359 1 1 182 . 16 1 1 A 21 21 ASN CA C 21 52.027 52.021 0.006 1 1 183 . 16 1 1 A 21 21 ASN CB C 21 41.679 40.260 1.419 1 1 184 . 16 1 1 A 21 21 ASN N N 21 119.653 122.451 -2.798 1 1 186 . 16 1 1 A 22 22 PHE H H 22 8.724 8.900 -0.176 1 1 187 . 16 1 1 A 22 22 PHE HA H 22 4.722 4.993 -0.271 1 1 195 . 16 1 1 A 22 22 PHE C C 22 175.430 175.746 -0.316 1 1 196 . 16 1 1 A 22 22 PHE CA C 22 57.156 57.274 -0.118 1 1 197 . 16 1 1 A 22 22 PHE CB C 22 43.843 42.919 0.924 1 1 203 . 16 1 1 A 22 22 PHE N N 22 116.386 119.522 -3.136 1 1 204 . 16 1 1 A 23 23 SER HA H 23 4.470 4.413 0.057 1 1 207 . 16 1 1 A 23 23 SER CA C 23 60.762 61.333 -0.571 1 1 208 . 16 1 1 A 23 23 SER CB C 23 63.389 62.741 0.648 1 1 209 . 16 1 1 A 24 24 TRP H H 24 7.303 7.701 -0.398 1 1 210 . 16 1 1 A 24 24 TRP HA H 24 5.114 4.812 0.302 1 1 219 . 16 1 1 A 24 24 TRP CA C 24 54.989 57.633 -2.644 1 1 220 . 16 1 1 A 24 24 TRP CB C 24 32.901 30.641 2.260 1 1 226 . 16 1 1 A 24 24 TRP N N 24 116.709 120.019 -3.310 1 1 228 . 16 1 1 A 25 25 SER HA H 25 2.990 2.805 0.185 1 1 231 . 16 1 1 A 25 25 SER CA C 25 61.025 60.708 0.317 1 1 232 . 16 1 1 A 25 25 SER CB C 25 61.769 62.560 -0.791 1 1 233 . 16 1 1 A 26 26 CYS HA H 26 4.272 4.116 0.156 1 1 236 . 16 1 1 A 26 26 CYS CA C 26 60.467 61.878 -1.411 1 1 237 . 16 1 1 A 26 26 CYS CB C 26 26.503 27.213 -0.710 1 1 238 . 16 1 1 A 26 26 CYS N N 26 116.694 119.556 -2.862 1 1 239 . 16 1 1 A 27 27 SER HA H 27 4.265 4.083 0.182 1 1 242 . 16 1 1 A 27 27 SER C C 27 176.277 175.968 0.309 1 1 243 . 16 1 1 A 27 27 SER CA C 27 60.808 62.309 -1.501 1 1 244 . 16 1 1 A 27 27 SER CB C 27 62.592 62.911 -0.319 1 1 245 . 16 1 1 A 27 27 SER N N 27 115.000 116.781 -1.781 1 1 246 . 16 1 1 A 28 28 LEU H H 28 6.993 7.862 -0.869 1 1 247 . 16 1 1 A 28 28 LEU HA H 28 3.081 2.473 0.608 1 1 257 . 16 1 1 A 28 28 LEU C C 28 177.247 178.592 -1.345 1 1 258 . 16 1 1 A 28 28 LEU CA C 28 57.825 57.839 -0.014 1 1 259 . 16 1 1 A 28 28 LEU CB C 28 40.078 41.433 -1.355 1 1 263 . 16 1 1 A 28 28 LEU N N 28 124.148 122.603 1.545 1 1 264 . 16 1 1 A 29 29 PHE H H 29 8.208 8.253 -0.045 1 1 265 . 16 1 1 A 29 29 PHE HA H 29 4.178 3.933 0.245 1 1 273 . 16 1 1 A 29 29 PHE C C 29 178.527 177.727 0.800 1 1 274 . 16 1 1 A 29 29 PHE CA C 29 61.303 61.873 -0.570 1 1 275 . 16 1 1 A 29 29 PHE CB C 29 37.971 39.212 -1.241 1 1 281 . 16 1 1 A 29 29 PHE N N 29 118.075 119.427 -1.352 1 1 282 . 16 1 1 A 30 30 LYS H H 30 7.660 7.916 -0.256 1 1 283 . 16 1 1 A 30 30 LYS HA H 30 3.959 4.041 -0.082 1 1 292 . 16 1 1 A 30 30 LYS C C 30 179.126 178.712 0.414 1 1 293 . 16 1 1 A 30 30 LYS CA C 30 59.586 59.503 0.083 1 1 294 . 16 1 1 A 30 30 LYS CB C 30 32.503 32.088 0.415 1 1 298 . 16 1 1 A 30 30 LYS N N 30 118.194 117.649 0.545 1 1 299 . 16 1 1 A 31 31 HIS H H 31 7.637 8.369 -0.732 1 1 300 . 16 1 1 A 31 31 HIS HA H 31 4.205 4.255 -0.050 1 1 305 . 16 1 1 A 31 31 HIS C C 31 177.985 176.905 1.080 1 1 306 . 16 1 1 A 31 31 HIS CA C 31 59.463 59.131 0.332 1 1 307 . 16 1 1 A 31 31 HIS CB C 31 28.534 30.008 -1.474 1 1 310 . 16 1 1 A 31 31 HIS N N 31 119.604 119.561 0.043 1 1 311 . 16 1 1 A 32 32 LEU H H 32 8.690 8.674 0.016 1 1 312 . 16 1 1 A 32 32 LEU HA H 32 3.861 3.998 -0.137 1 1 322 . 16 1 1 A 32 32 LEU C C 32 179.506 179.402 0.104 1 1 323 . 16 1 1 A 32 32 LEU CA C 32 58.447 58.120 0.327 1 1 324 . 16 1 1 A 32 32 LEU CB C 32 41.560 41.179 0.381 1 1 328 . 16 1 1 A 32 32 LEU N N 32 121.283 119.259 2.024 1 1 329 . 16 1 1 A 33 33 ARG H H 33 7.178 7.936 -0.758 1 1 330 . 16 1 1 A 33 33 ARG HA H 33 4.071 3.960 0.111 1 1 337 . 16 1 1 A 33 33 ARG C C 33 178.314 177.897 0.417 1 1 338 . 16 1 1 A 33 33 ARG CA C 33 58.320 58.475 -0.155 1 1 339 . 16 1 1 A 33 33 ARG CB C 33 29.531 29.667 -0.136 1 1 342 . 16 1 1 A 33 33 ARG N N 33 117.400 117.990 -0.590 1 1 343 . 16 1 1 A 34 34 SER H H 34 7.837 8.183 -0.346 1 1 344 . 16 1 1 A 34 34 SER HA H 34 4.196 4.085 0.111 1 1 347 . 16 1 1 A 34 34 SER C C 34 174.873 175.236 -0.363 1 1 348 . 16 1 1 A 34 34 SER CA C 34 60.482 61.005 -0.523 1 1 349 . 16 1 1 A 34 34 SER CB C 34 63.140 62.610 0.530 1 1 350 . 16 1 1 A 34 34 SER N N 34 114.440 116.529 -2.089 1 1 351 . 16 1 1 A 35 35 HIS H H 35 7.204 8.097 -0.893 1 1 352 . 16 1 1 A 35 35 HIS HA H 35 4.773 4.555 0.218 1 1 357 . 16 1 1 A 35 35 HIS C C 35 174.959 177.368 -2.409 1 1 358 . 16 1 1 A 35 35 HIS CA C 35 55.192 57.526 -2.334 1 1 359 . 16 1 1 A 35 35 HIS CB C 35 29.005 31.372 -2.367 1 1 362 . 16 1 1 A 35 35 HIS N N 35 118.479 117.426 1.053 1 1 363 . 16 1 1 A 36 36 GLU H H 36 7.583 8.115 -0.532 1 1 364 . 16 1 1 A 36 36 GLU HA H 36 4.256 3.930 0.326 1 1 369 . 16 1 1 A 36 36 GLU C C 36 176.328 178.760 -2.432 1 1 370 . 16 1 1 A 36 36 GLU CA C 36 56.841 58.936 -2.095 1 1 371 . 16 1 1 A 36 36 GLU CB C 36 30.329 28.271 2.058 1 1 373 . 16 1 1 A 36 36 GLU N N 36 120.262 117.586 2.676 1 1 374 . 16 1 1 A 37 37 ARG H H 37 8.387 7.691 0.696 1 1 375 . 16 1 1 A 37 37 ARG HA H 37 4.453 4.116 0.337 1 1 382 . 16 1 1 A 37 37 ARG C C 37 176.254 177.092 -0.838 1 1 383 . 16 1 1 A 37 37 ARG CA C 37 55.900 58.873 -2.973 1 1 384 . 16 1 1 A 37 37 ARG CB C 37 30.906 29.888 1.018 1 1 387 . 16 1 1 A 37 37 ARG N N 37 122.086 119.932 2.154 1 1 388 . 16 1 1 A 38 38 THR H H 38 8.275 7.683 0.592 1 1 389 . 16 1 1 A 38 38 THR HA H 38 4.328 4.233 0.095 1 1 394 . 16 1 1 A 38 38 THR C C 38 174.006 174.115 -0.109 1 1 395 . 16 1 1 A 38 38 THR CA C 38 61.731 63.718 -1.987 1 1 396 . 16 1 1 A 38 38 THR CB C 38 69.937 69.796 0.141 1 1 398 . 16 1 1 A 38 38 THR N N 38 115.922 113.740 2.182 1 1 399 . 16 1 1 A 39 39 ASP H H 39 8.437 8.456 -0.019 1 1 400 . 16 1 1 A 39 39 ASP HA H 39 4.900 5.074 -0.174 1 1 403 . 16 1 1 A 39 39 ASP C C 39 174.780 173.998 0.782 1 1 404 . 16 1 1 A 39 39 ASP CA C 39 52.198 50.598 1.600 1 1 405 . 16 1 1 A 39 39 ASP CB C 39 41.197 43.002 -1.805 1 1 406 . 16 1 1 A 39 39 ASP N N 39 124.343 123.481 0.862 1 1 407 . 16 1 1 A 40 40 PRO HA H 40 4.467 4.729 -0.262 1 1 414 . 16 1 1 A 40 40 PRO CA C 40 63.632 62.435 1.197 1 1 415 . 16 1 1 A 40 40 PRO CB C 40 32.113 30.445 1.668 1 1 418 . 16 1 1 A 41 41 SER H H 41 8.481 8.366 0.115 1 1 419 . 16 1 1 A 41 41 SER HA H 41 4.463 4.955 -0.492 1 1 422 . 16 1 1 A 41 41 SER CA C 41 58.677 57.257 1.420 1 1 423 . 16 1 1 A 41 41 SER CB C 41 63.874 66.418 -2.544 1 1 424 . 16 1 1 A 41 41 SER N N 41 115.801 119.542 -3.741 1 1 425 . 16 1 1 A 42 42 GLY H H 42 8.086 8.491 -0.405 1 1 426 . 16 1 1 A 42 42 GLY HA2 H 42 4.173 4.139 0.034 1 1 427 . 16 1 1 A 42 42 GLY HA3 H 42 4.065 4.140 -0.075 1 1 428 . 16 1 1 A 42 42 GLY CA C 42 44.752 44.819 -0.067 1 1 429 . 16 1 1 A 42 42 GLY N N 42 110.426 110.214 0.212 1 1 430 . 16 1 1 A 43 43 PRO HA H 43 4.488 4.710 -0.222 1 1 437 . 16 1 1 A 43 43 PRO CA C 43 63.241 62.767 0.474 1 1 438 . 16 1 1 A 43 43 PRO CB C 43 32.157 30.824 1.333 1 1 1 . 17 1 1 A 4 4 GLY HA2 H 4 4.452 4.291 0.161 1 1 2 . 17 1 1 A 4 4 GLY HA3 H 4 4.452 4.291 0.161 1 1 3 . 17 1 1 A 4 4 GLY C C 4 177.372 171.421 5.951 1 1 4 . 17 1 1 A 5 5 SER H H 5 8.514 8.476 0.038 1 1 5 . 17 1 1 A 5 5 SER HA H 5 4.517 5.429 -0.912 1 1 8 . 17 1 1 A 5 5 SER C C 5 174.470 172.449 2.021 1 1 9 . 17 1 1 A 5 5 SER CA C 5 58.246 56.968 1.278 1 1 10 . 17 1 1 A 5 5 SER CB C 5 63.845 66.314 -2.469 1 1 11 . 17 1 1 A 5 5 SER N N 5 116.459 116.711 -0.252 1 1 12 . 17 1 1 A 6 6 SER C C 6 173.892 173.383 0.509 1 1 13 . 17 1 1 A 6 6 SER CA C 6 58.410 56.324 2.086 1 1 14 . 17 1 1 A 6 6 SER CB C 6 64.048 65.418 -1.370 1 1 15 . 17 1 1 A 6 6 SER N N 6 118.058 118.591 -0.533 1 1 16 . 17 1 1 A 7 7 GLY HA2 H 7 4.032 4.406 -0.374 1 1 17 . 17 1 1 A 7 7 GLY HA3 H 7 4.032 4.408 -0.376 1 1 18 . 17 1 1 A 7 7 GLY C C 7 174.503 172.301 2.202 1 1 19 . 17 1 1 A 7 7 GLY CA C 7 45.426 45.103 0.323 1 1 20 . 17 1 1 A 7 7 GLY N N 7 117.426 113.624 3.802 1 1 21 . 17 1 1 A 8 8 THR H H 8 8.134 8.631 -0.497 1 1 22 . 17 1 1 A 8 8 THR HA H 8 4.361 4.847 -0.486 1 1 27 . 17 1 1 A 8 8 THR C C 8 175.191 172.653 2.538 1 1 28 . 17 1 1 A 8 8 THR CA C 8 61.847 60.544 1.303 1 1 29 . 17 1 1 A 8 8 THR CB C 8 69.840 70.495 -0.655 1 1 31 . 17 1 1 A 8 8 THR N N 8 112.760 114.651 -1.891 1 1 32 . 17 1 1 A 9 9 GLY H H 9 8.413 8.720 -0.307 1 1 33 . 17 1 1 A 9 9 GLY HA2 H 9 3.947 4.066 -0.119 1 1 34 . 17 1 1 A 9 9 GLY HA3 H 9 3.900 4.079 -0.179 1 1 35 . 17 1 1 A 9 9 GLY C C 9 174.023 173.189 0.834 1 1 36 . 17 1 1 A 9 9 GLY CA C 9 45.259 44.230 1.029 1 1 37 . 17 1 1 A 9 9 GLY N N 9 110.903 114.569 -3.666 1 1 38 . 17 1 1 A 10 10 GLU H H 10 8.200 8.508 -0.308 1 1 39 . 17 1 1 A 10 10 GLU HA H 10 4.168 4.411 -0.243 1 1 44 . 17 1 1 A 10 10 GLU C C 10 176.430 175.837 0.593 1 1 45 . 17 1 1 A 10 10 GLU CA C 10 56.773 55.964 0.809 1 1 46 . 17 1 1 A 10 10 GLU CB C 10 30.405 30.757 -0.352 1 1 48 . 17 1 1 A 10 10 GLU N N 10 120.140 119.832 0.308 1 1 49 . 17 1 1 A 11 11 LYS H H 11 8.325 8.390 -0.065 1 1 50 . 17 1 1 A 11 11 LYS HA H 11 4.496 4.977 -0.481 1 1 59 . 17 1 1 A 11 11 LYS C C 11 174.166 175.457 -1.291 1 1 60 . 17 1 1 A 11 11 LYS CA C 11 53.920 53.191 0.729 1 1 61 . 17 1 1 A 11 11 LYS CB C 11 33.107 33.027 0.080 1 1 65 . 17 1 1 A 11 11 LYS N N 11 122.011 123.301 -1.290 1 1 66 . 17 1 1 A 12 12 PRO HA H 12 4.242 4.260 -0.018 1 1 73 . 17 1 1 A 12 12 PRO C C 12 176.359 176.170 0.189 1 1 74 . 17 1 1 A 12 12 PRO CA C 12 63.623 64.798 -1.175 1 1 75 . 17 1 1 A 12 12 PRO CB C 12 32.138 31.742 0.396 1 1 78 . 17 1 1 A 13 13 PHE H H 13 7.984 7.436 0.548 1 1 79 . 17 1 1 A 13 13 PHE HA H 13 4.695 4.976 -0.281 1 1 87 . 17 1 1 A 13 13 PHE C C 13 174.248 174.989 -0.741 1 1 88 . 17 1 1 A 13 13 PHE CA C 13 56.993 57.606 -0.613 1 1 89 . 17 1 1 A 13 13 PHE CB C 13 39.591 41.533 -1.942 1 1 95 . 17 1 1 A 13 13 PHE N N 13 118.237 118.018 0.219 1 1 96 . 17 1 1 A 14 14 GLN H H 14 8.591 8.841 -0.250 1 1 97 . 17 1 1 A 14 14 GLN HA H 14 5.175 4.995 0.180 1 1 104 . 17 1 1 A 14 14 GLN C C 14 174.744 174.022 0.722 1 1 105 . 17 1 1 A 14 14 GLN CA C 14 54.668 55.051 -0.383 1 1 106 . 17 1 1 A 14 14 GLN CB C 14 32.675 33.189 -0.514 1 1 108 . 17 1 1 A 14 14 GLN N N 14 123.552 120.493 3.059 1 1 110 . 17 1 1 A 15 15 CYS H H 15 9.221 9.207 0.014 1 1 111 . 17 1 1 A 15 15 CYS HA H 15 4.576 4.679 -0.103 1 1 114 . 17 1 1 A 15 15 CYS C C 15 177.443 175.968 1.475 1 1 115 . 17 1 1 A 15 15 CYS CA C 15 59.565 58.215 1.350 1 1 116 . 17 1 1 A 15 15 CYS CB C 15 29.940 29.358 0.582 1 1 117 . 17 1 1 A 15 15 CYS N N 15 128.096 123.892 4.204 1 1 118 . 17 1 1 A 16 16 LYS H H 16 9.439 9.045 0.394 1 1 119 . 17 1 1 A 16 16 LYS HA H 16 4.204 4.274 -0.070 1 1 128 . 17 1 1 A 16 16 LYS C C 16 176.882 176.895 -0.013 1 1 129 . 17 1 1 A 16 16 LYS CA C 16 58.170 57.897 0.273 1 1 130 . 17 1 1 A 16 16 LYS CB C 16 32.153 32.040 0.113 1 1 134 . 17 1 1 A 16 16 LYS N N 16 132.264 128.232 4.032 1 1 135 . 17 1 1 A 17 17 GLU H H 17 8.836 7.938 0.898 1 1 136 . 17 1 1 A 17 17 GLU HA H 17 4.201 4.284 -0.083 1 1 141 . 17 1 1 A 17 17 GLU C C 17 177.524 178.073 -0.549 1 1 142 . 17 1 1 A 17 17 GLU CA C 17 58.138 57.831 0.307 1 1 143 . 17 1 1 A 17 17 GLU CB C 17 29.276 30.161 -0.885 1 1 145 . 17 1 1 A 17 17 GLU N N 17 120.919 117.071 3.848 1 1 146 . 17 1 1 A 18 18 CYS H H 18 8.312 8.010 0.302 1 1 147 . 17 1 1 A 18 18 CYS HA H 18 5.162 4.726 0.436 1 1 150 . 17 1 1 A 18 18 CYS C C 18 176.325 175.861 0.464 1 1 151 . 17 1 1 A 18 18 CYS CA C 18 58.284 59.078 -0.794 1 1 152 . 17 1 1 A 18 18 CYS CB C 18 32.594 30.658 1.936 1 1 153 . 17 1 1 A 18 18 CYS N N 18 115.693 114.207 1.486 1 1 154 . 17 1 1 A 19 19 GLY H H 19 8.106 7.896 0.210 1 1 155 . 17 1 1 A 19 19 GLY HA2 H 19 4.219 3.959 0.260 1 1 156 . 17 1 1 A 19 19 GLY HA3 H 19 3.757 3.965 -0.208 1 1 157 . 17 1 1 A 19 19 GLY C C 19 173.852 174.647 -0.795 1 1 158 . 17 1 1 A 19 19 GLY CA C 19 46.048 45.068 0.980 1 1 159 . 17 1 1 A 19 19 GLY N N 19 113.172 109.871 3.301 1 1 160 . 17 1 1 A 20 20 MET H H 20 7.952 7.657 0.295 1 1 161 . 17 1 1 A 20 20 MET HA H 20 3.997 4.266 -0.269 1 1 169 . 17 1 1 A 20 20 MET C C 20 173.729 176.531 -2.802 1 1 170 . 17 1 1 A 20 20 MET CA C 20 57.756 56.160 1.596 1 1 171 . 17 1 1 A 20 20 MET CB C 20 33.879 32.998 0.881 1 1 174 . 17 1 1 A 20 20 MET N N 20 122.129 121.223 0.906 1 1 175 . 17 1 1 A 21 21 ASN H H 21 7.960 8.433 -0.473 1 1 176 . 17 1 1 A 21 21 ASN HA H 21 5.375 5.452 -0.077 1 1 181 . 17 1 1 A 21 21 ASN C C 21 173.981 174.177 -0.196 1 1 182 . 17 1 1 A 21 21 ASN CA C 21 52.027 51.986 0.041 1 1 183 . 17 1 1 A 21 21 ASN CB C 21 41.679 40.053 1.626 1 1 184 . 17 1 1 A 21 21 ASN N N 21 119.653 122.178 -2.525 1 1 186 . 17 1 1 A 22 22 PHE H H 22 8.724 8.719 0.005 1 1 187 . 17 1 1 A 22 22 PHE HA H 22 4.722 4.930 -0.208 1 1 195 . 17 1 1 A 22 22 PHE C C 22 175.430 175.783 -0.353 1 1 196 . 17 1 1 A 22 22 PHE CA C 22 57.156 57.084 0.072 1 1 197 . 17 1 1 A 22 22 PHE CB C 22 43.843 42.922 0.921 1 1 203 . 17 1 1 A 22 22 PHE N N 22 116.386 119.354 -2.968 1 1 204 . 17 1 1 A 23 23 SER HA H 23 4.470 4.396 0.074 1 1 207 . 17 1 1 A 23 23 SER CA C 23 60.762 61.432 -0.670 1 1 208 . 17 1 1 A 23 23 SER CB C 23 63.389 62.807 0.582 1 1 209 . 17 1 1 A 24 24 TRP H H 24 7.303 7.742 -0.439 1 1 210 . 17 1 1 A 24 24 TRP HA H 24 5.114 4.760 0.354 1 1 219 . 17 1 1 A 24 24 TRP CA C 24 54.989 57.662 -2.673 1 1 220 . 17 1 1 A 24 24 TRP CB C 24 32.901 30.326 2.575 1 1 226 . 17 1 1 A 24 24 TRP N N 24 116.709 122.242 -5.533 1 1 228 . 17 1 1 A 25 25 SER HA H 25 2.990 2.659 0.331 1 1 231 . 17 1 1 A 25 25 SER CA C 25 61.025 59.141 1.884 1 1 232 . 17 1 1 A 25 25 SER CB C 25 61.769 63.419 -1.650 1 1 233 . 17 1 1 A 26 26 CYS HA H 26 4.272 4.094 0.178 1 1 236 . 17 1 1 A 26 26 CYS CA C 26 60.467 63.043 -2.576 1 1 237 . 17 1 1 A 26 26 CYS CB C 26 26.503 26.285 0.218 1 1 238 . 17 1 1 A 26 26 CYS N N 26 116.694 120.448 -3.754 1 1 239 . 17 1 1 A 27 27 SER HA H 27 4.265 4.056 0.209 1 1 242 . 17 1 1 A 27 27 SER C C 27 176.277 176.072 0.205 1 1 243 . 17 1 1 A 27 27 SER CA C 27 60.808 62.367 -1.559 1 1 244 . 17 1 1 A 27 27 SER CB C 27 62.592 62.629 -0.037 1 1 245 . 17 1 1 A 27 27 SER N N 27 115.000 116.498 -1.498 1 1 246 . 17 1 1 A 28 28 LEU H H 28 6.993 7.943 -0.950 1 1 247 . 17 1 1 A 28 28 LEU HA H 28 3.081 2.573 0.508 1 1 257 . 17 1 1 A 28 28 LEU C C 28 177.247 178.652 -1.405 1 1 258 . 17 1 1 A 28 28 LEU CA C 28 57.825 57.708 0.117 1 1 259 . 17 1 1 A 28 28 LEU CB C 28 40.078 41.279 -1.201 1 1 263 . 17 1 1 A 28 28 LEU N N 28 124.148 122.280 1.868 1 1 264 . 17 1 1 A 29 29 PHE H H 29 8.208 8.178 0.030 1 1 265 . 17 1 1 A 29 29 PHE HA H 29 4.178 3.907 0.271 1 1 273 . 17 1 1 A 29 29 PHE C C 29 178.527 177.753 0.774 1 1 274 . 17 1 1 A 29 29 PHE CA C 29 61.303 61.907 -0.604 1 1 275 . 17 1 1 A 29 29 PHE CB C 29 37.971 39.126 -1.155 1 1 281 . 17 1 1 A 29 29 PHE N N 29 118.075 119.415 -1.340 1 1 282 . 17 1 1 A 30 30 LYS H H 30 7.660 7.938 -0.278 1 1 283 . 17 1 1 A 30 30 LYS HA H 30 3.959 4.134 -0.175 1 1 292 . 17 1 1 A 30 30 LYS C C 30 179.126 178.761 0.365 1 1 293 . 17 1 1 A 30 30 LYS CA C 30 59.586 59.260 0.326 1 1 294 . 17 1 1 A 30 30 LYS CB C 30 32.503 31.970 0.533 1 1 298 . 17 1 1 A 30 30 LYS N N 30 118.194 118.068 0.126 1 1 299 . 17 1 1 A 31 31 HIS H H 31 7.637 8.378 -0.741 1 1 300 . 17 1 1 A 31 31 HIS HA H 31 4.205 4.260 -0.055 1 1 305 . 17 1 1 A 31 31 HIS C C 31 177.985 176.948 1.037 1 1 306 . 17 1 1 A 31 31 HIS CA C 31 59.463 59.135 0.328 1 1 307 . 17 1 1 A 31 31 HIS CB C 31 28.534 30.011 -1.477 1 1 310 . 17 1 1 A 31 31 HIS N N 31 119.604 119.750 -0.146 1 1 311 . 17 1 1 A 32 32 LEU H H 32 8.690 8.651 0.039 1 1 312 . 17 1 1 A 32 32 LEU HA H 32 3.861 3.993 -0.132 1 1 322 . 17 1 1 A 32 32 LEU C C 32 179.506 179.457 0.049 1 1 323 . 17 1 1 A 32 32 LEU CA C 32 58.447 58.040 0.407 1 1 324 . 17 1 1 A 32 32 LEU CB C 32 41.560 41.401 0.159 1 1 328 . 17 1 1 A 32 32 LEU N N 32 121.283 119.337 1.946 1 1 329 . 17 1 1 A 33 33 ARG H H 33 7.178 8.133 -0.955 1 1 330 . 17 1 1 A 33 33 ARG HA H 33 4.071 4.047 0.024 1 1 337 . 17 1 1 A 33 33 ARG C C 33 178.314 177.914 0.400 1 1 338 . 17 1 1 A 33 33 ARG CA C 33 58.320 58.681 -0.361 1 1 339 . 17 1 1 A 33 33 ARG CB C 33 29.531 29.703 -0.172 1 1 342 . 17 1 1 A 33 33 ARG N N 33 117.400 117.936 -0.536 1 1 343 . 17 1 1 A 34 34 SER H H 34 7.837 8.144 -0.307 1 1 344 . 17 1 1 A 34 34 SER HA H 34 4.196 4.143 0.053 1 1 347 . 17 1 1 A 34 34 SER C C 34 174.873 175.375 -0.502 1 1 348 . 17 1 1 A 34 34 SER CA C 34 60.482 61.047 -0.565 1 1 349 . 17 1 1 A 34 34 SER CB C 34 63.140 62.646 0.494 1 1 350 . 17 1 1 A 34 34 SER N N 34 114.440 116.656 -2.216 1 1 351 . 17 1 1 A 35 35 HIS H H 35 7.204 8.151 -0.947 1 1 352 . 17 1 1 A 35 35 HIS HA H 35 4.773 4.787 -0.014 1 1 357 . 17 1 1 A 35 35 HIS C C 35 174.959 177.233 -2.274 1 1 358 . 17 1 1 A 35 35 HIS CA C 35 55.192 57.295 -2.103 1 1 359 . 17 1 1 A 35 35 HIS CB C 35 29.005 31.460 -2.455 1 1 362 . 17 1 1 A 35 35 HIS N N 35 118.479 117.586 0.893 1 1 363 . 17 1 1 A 36 36 GLU H H 36 7.583 8.097 -0.514 1 1 364 . 17 1 1 A 36 36 GLU HA H 36 4.256 3.930 0.326 1 1 369 . 17 1 1 A 36 36 GLU C C 36 176.328 178.374 -2.046 1 1 370 . 17 1 1 A 36 36 GLU CA C 36 56.841 59.151 -2.310 1 1 371 . 17 1 1 A 36 36 GLU CB C 36 30.329 29.134 1.195 1 1 373 . 17 1 1 A 36 36 GLU N N 36 120.262 118.000 2.262 1 1 374 . 17 1 1 A 37 37 ARG H H 37 8.387 7.774 0.613 1 1 375 . 17 1 1 A 37 37 ARG HA H 37 4.453 4.220 0.233 1 1 382 . 17 1 1 A 37 37 ARG C C 37 176.254 175.673 0.581 1 1 383 . 17 1 1 A 37 37 ARG CA C 37 55.900 58.010 -2.110 1 1 384 . 17 1 1 A 37 37 ARG CB C 37 30.906 31.429 -0.523 1 1 387 . 17 1 1 A 37 37 ARG N N 37 122.086 120.000 2.086 1 1 388 . 17 1 1 A 38 38 THR H H 38 8.275 8.018 0.257 1 1 389 . 17 1 1 A 38 38 THR HA H 38 4.328 4.826 -0.498 1 1 394 . 17 1 1 A 38 38 THR C C 38 174.006 174.131 -0.125 1 1 395 . 17 1 1 A 38 38 THR CA C 38 61.731 61.166 0.565 1 1 396 . 17 1 1 A 38 38 THR CB C 38 69.937 70.633 -0.696 1 1 398 . 17 1 1 A 38 38 THR N N 38 115.922 113.065 2.857 1 1 399 . 17 1 1 A 39 39 ASP H H 39 8.437 8.727 -0.290 1 1 400 . 17 1 1 A 39 39 ASP HA H 39 4.900 5.093 -0.193 1 1 403 . 17 1 1 A 39 39 ASP C C 39 174.780 174.386 0.394 1 1 404 . 17 1 1 A 39 39 ASP CA C 39 52.198 52.050 0.148 1 1 405 . 17 1 1 A 39 39 ASP CB C 39 41.197 40.429 0.768 1 1 406 . 17 1 1 A 39 39 ASP N N 39 124.343 125.042 -0.699 1 1 407 . 17 1 1 A 40 40 PRO HA H 40 4.467 4.743 -0.276 1 1 414 . 17 1 1 A 40 40 PRO CA C 40 63.632 62.867 0.765 1 1 415 . 17 1 1 A 40 40 PRO CB C 40 32.113 33.069 -0.956 1 1 418 . 17 1 1 A 41 41 SER H H 41 8.481 8.498 -0.017 1 1 419 . 17 1 1 A 41 41 SER HA H 41 4.463 5.012 -0.549 1 1 422 . 17 1 1 A 41 41 SER CA C 41 58.677 56.883 1.794 1 1 423 . 17 1 1 A 41 41 SER CB C 41 63.874 66.157 -2.283 1 1 424 . 17 1 1 A 41 41 SER N N 41 115.801 116.843 -1.042 1 1 425 . 17 1 1 A 42 42 GLY H H 42 8.086 8.311 -0.225 1 1 426 . 17 1 1 A 42 42 GLY HA2 H 42 4.173 4.145 0.028 1 1 427 . 17 1 1 A 42 42 GLY HA3 H 42 4.065 4.150 -0.085 1 1 428 . 17 1 1 A 42 42 GLY CA C 42 44.752 44.311 0.441 1 1 429 . 17 1 1 A 42 42 GLY N N 42 110.426 113.421 -2.995 1 1 430 . 17 1 1 A 43 43 PRO HA H 43 4.488 4.742 -0.254 1 1 437 . 17 1 1 A 43 43 PRO CA C 43 63.241 62.703 0.538 1 1 438 . 17 1 1 A 43 43 PRO CB C 43 32.157 32.976 -0.819 1 1 1 . 18 1 1 A 4 4 GLY HA2 H 4 4.452 4.032 0.420 1 1 2 . 18 1 1 A 4 4 GLY HA3 H 4 4.452 4.035 0.417 1 1 3 . 18 1 1 A 4 4 GLY C C 4 177.372 174.228 3.144 1 1 4 . 18 1 1 A 5 5 SER H H 5 8.514 8.868 -0.354 1 1 5 . 18 1 1 A 5 5 SER HA H 5 4.517 4.228 0.289 1 1 8 . 18 1 1 A 5 5 SER C C 5 174.470 174.763 -0.293 1 1 9 . 18 1 1 A 5 5 SER CA C 5 58.246 62.434 -4.188 1 1 10 . 18 1 1 A 5 5 SER CB C 5 63.845 63.325 0.520 1 1 11 . 18 1 1 A 5 5 SER N N 5 116.459 120.880 -4.421 1 1 12 . 18 1 1 A 6 6 SER C C 6 173.892 173.050 0.842 1 1 13 . 18 1 1 A 6 6 SER CA C 6 58.410 57.095 1.315 1 1 14 . 18 1 1 A 6 6 SER CB C 6 64.048 66.146 -2.098 1 1 15 . 18 1 1 A 6 6 SER N N 6 118.058 111.808 6.250 1 1 16 . 18 1 1 A 7 7 GLY HA2 H 7 4.032 4.249 -0.217 1 1 17 . 18 1 1 A 7 7 GLY HA3 H 7 4.032 4.251 -0.219 1 1 18 . 18 1 1 A 7 7 GLY C C 7 174.503 171.175 3.328 1 1 19 . 18 1 1 A 7 7 GLY CA C 7 45.426 45.431 -0.005 1 1 20 . 18 1 1 A 7 7 GLY N N 7 117.426 108.056 9.370 1 1 21 . 18 1 1 A 8 8 THR H H 8 8.134 8.323 -0.189 1 1 22 . 18 1 1 A 8 8 THR HA H 8 4.361 5.042 -0.681 1 1 27 . 18 1 1 A 8 8 THR C C 8 175.191 173.977 1.214 1 1 28 . 18 1 1 A 8 8 THR CA C 8 61.847 59.558 2.289 1 1 29 . 18 1 1 A 8 8 THR CB C 8 69.840 71.864 -2.024 1 1 31 . 18 1 1 A 8 8 THR N N 8 112.760 115.004 -2.244 1 1 32 . 18 1 1 A 9 9 GLY H H 9 8.413 8.661 -0.248 1 1 33 . 18 1 1 A 9 9 GLY HA2 H 9 3.947 3.875 0.072 1 1 34 . 18 1 1 A 9 9 GLY HA3 H 9 3.900 3.884 0.016 1 1 35 . 18 1 1 A 9 9 GLY C C 9 174.023 174.539 -0.516 1 1 36 . 18 1 1 A 9 9 GLY CA C 9 45.259 46.368 -1.109 1 1 37 . 18 1 1 A 9 9 GLY N N 9 110.903 115.352 -4.449 1 1 38 . 18 1 1 A 10 10 GLU H H 10 8.200 8.067 0.133 1 1 39 . 18 1 1 A 10 10 GLU HA H 10 4.168 4.336 -0.168 1 1 44 . 18 1 1 A 10 10 GLU C C 10 176.430 175.749 0.681 1 1 45 . 18 1 1 A 10 10 GLU CA C 10 56.773 56.409 0.364 1 1 46 . 18 1 1 A 10 10 GLU CB C 10 30.405 30.381 0.024 1 1 48 . 18 1 1 A 10 10 GLU N N 10 120.140 119.758 0.382 1 1 49 . 18 1 1 A 11 11 LYS H H 11 8.325 8.592 -0.267 1 1 50 . 18 1 1 A 11 11 LYS HA H 11 4.496 4.753 -0.257 1 1 59 . 18 1 1 A 11 11 LYS C C 11 174.166 176.084 -1.918 1 1 60 . 18 1 1 A 11 11 LYS CA C 11 53.920 52.187 1.733 1 1 61 . 18 1 1 A 11 11 LYS CB C 11 33.107 33.061 0.046 1 1 65 . 18 1 1 A 11 11 LYS N N 11 122.011 122.422 -0.411 1 1 66 . 18 1 1 A 12 12 PRO HA H 12 4.242 4.251 -0.009 1 1 73 . 18 1 1 A 12 12 PRO C C 12 176.359 176.191 0.168 1 1 74 . 18 1 1 A 12 12 PRO CA C 12 63.623 64.967 -1.344 1 1 75 . 18 1 1 A 12 12 PRO CB C 12 32.138 31.596 0.542 1 1 78 . 18 1 1 A 13 13 PHE H H 13 7.984 7.908 0.076 1 1 79 . 18 1 1 A 13 13 PHE HA H 13 4.695 4.862 -0.167 1 1 87 . 18 1 1 A 13 13 PHE C C 13 174.248 175.196 -0.948 1 1 88 . 18 1 1 A 13 13 PHE CA C 13 56.993 57.556 -0.563 1 1 89 . 18 1 1 A 13 13 PHE CB C 13 39.591 41.108 -1.517 1 1 95 . 18 1 1 A 13 13 PHE N N 13 118.237 118.132 0.105 1 1 96 . 18 1 1 A 14 14 GLN H H 14 8.591 8.896 -0.305 1 1 97 . 18 1 1 A 14 14 GLN HA H 14 5.175 4.907 0.268 1 1 104 . 18 1 1 A 14 14 GLN C C 14 174.744 174.031 0.713 1 1 105 . 18 1 1 A 14 14 GLN CA C 14 54.668 55.013 -0.345 1 1 106 . 18 1 1 A 14 14 GLN CB C 14 32.675 33.170 -0.495 1 1 108 . 18 1 1 A 14 14 GLN N N 14 123.552 120.207 3.345 1 1 110 . 18 1 1 A 15 15 CYS H H 15 9.221 9.209 0.012 1 1 111 . 18 1 1 A 15 15 CYS HA H 15 4.576 4.652 -0.076 1 1 114 . 18 1 1 A 15 15 CYS C C 15 177.443 175.970 1.473 1 1 115 . 18 1 1 A 15 15 CYS CA C 15 59.565 58.289 1.276 1 1 116 . 18 1 1 A 15 15 CYS CB C 15 29.940 29.039 0.901 1 1 117 . 18 1 1 A 15 15 CYS N N 15 128.096 123.592 4.504 1 1 118 . 18 1 1 A 16 16 LYS H H 16 9.439 9.071 0.368 1 1 119 . 18 1 1 A 16 16 LYS HA H 16 4.204 4.272 -0.068 1 1 128 . 18 1 1 A 16 16 LYS C C 16 176.882 176.990 -0.108 1 1 129 . 18 1 1 A 16 16 LYS CA C 16 58.170 57.803 0.367 1 1 130 . 18 1 1 A 16 16 LYS CB C 16 32.153 32.060 0.093 1 1 134 . 18 1 1 A 16 16 LYS N N 16 132.264 128.314 3.950 1 1 135 . 18 1 1 A 17 17 GLU H H 17 8.836 7.874 0.962 1 1 136 . 18 1 1 A 17 17 GLU HA H 17 4.201 4.218 -0.017 1 1 141 . 18 1 1 A 17 17 GLU C C 17 177.524 178.118 -0.594 1 1 142 . 18 1 1 A 17 17 GLU CA C 17 58.138 58.082 0.056 1 1 143 . 18 1 1 A 17 17 GLU CB C 17 29.276 30.033 -0.757 1 1 145 . 18 1 1 A 17 17 GLU N N 17 120.919 117.489 3.430 1 1 146 . 18 1 1 A 18 18 CYS H H 18 8.312 8.030 0.282 1 1 147 . 18 1 1 A 18 18 CYS HA H 18 5.162 4.683 0.479 1 1 150 . 18 1 1 A 18 18 CYS C C 18 176.325 175.809 0.516 1 1 151 . 18 1 1 A 18 18 CYS CA C 18 58.284 59.026 -0.742 1 1 152 . 18 1 1 A 18 18 CYS CB C 18 32.594 30.590 2.004 1 1 153 . 18 1 1 A 18 18 CYS N N 18 115.693 114.035 1.658 1 1 154 . 18 1 1 A 19 19 GLY H H 19 8.106 8.038 0.068 1 1 155 . 18 1 1 A 19 19 GLY HA2 H 19 4.219 3.994 0.225 1 1 156 . 18 1 1 A 19 19 GLY HA3 H 19 3.757 3.998 -0.241 1 1 157 . 18 1 1 A 19 19 GLY C C 19 173.852 174.518 -0.666 1 1 158 . 18 1 1 A 19 19 GLY CA C 19 46.048 45.082 0.966 1 1 159 . 18 1 1 A 19 19 GLY N N 19 113.172 109.798 3.374 1 1 160 . 18 1 1 A 20 20 MET H H 20 7.952 7.688 0.264 1 1 161 . 18 1 1 A 20 20 MET HA H 20 3.997 4.326 -0.329 1 1 169 . 18 1 1 A 20 20 MET C C 20 173.729 176.324 -2.595 1 1 170 . 18 1 1 A 20 20 MET CA C 20 57.756 56.348 1.408 1 1 171 . 18 1 1 A 20 20 MET CB C 20 33.879 33.095 0.784 1 1 174 . 18 1 1 A 20 20 MET N N 20 122.129 121.324 0.805 1 1 175 . 18 1 1 A 21 21 ASN H H 21 7.960 8.578 -0.618 1 1 176 . 18 1 1 A 21 21 ASN HA H 21 5.375 5.635 -0.260 1 1 181 . 18 1 1 A 21 21 ASN C C 21 173.981 174.162 -0.181 1 1 182 . 18 1 1 A 21 21 ASN CA C 21 52.027 51.565 0.462 1 1 183 . 18 1 1 A 21 21 ASN CB C 21 41.679 40.710 0.969 1 1 184 . 18 1 1 A 21 21 ASN N N 21 119.653 121.556 -1.903 1 1 186 . 18 1 1 A 22 22 PHE H H 22 8.724 8.573 0.151 1 1 187 . 18 1 1 A 22 22 PHE HA H 22 4.722 4.969 -0.247 1 1 195 . 18 1 1 A 22 22 PHE C C 22 175.430 174.639 0.791 1 1 196 . 18 1 1 A 22 22 PHE CA C 22 57.156 57.105 0.051 1 1 197 . 18 1 1 A 22 22 PHE CB C 22 43.843 43.672 0.171 1 1 203 . 18 1 1 A 22 22 PHE N N 22 116.386 118.573 -2.187 1 1 204 . 18 1 1 A 23 23 SER HA H 23 4.470 4.519 -0.049 1 1 207 . 18 1 1 A 23 23 SER CA C 23 60.762 57.798 2.964 1 1 208 . 18 1 1 A 23 23 SER CB C 23 63.389 62.920 0.469 1 1 209 . 18 1 1 A 24 24 TRP H H 24 7.303 7.768 -0.465 1 1 210 . 18 1 1 A 24 24 TRP HA H 24 5.114 5.146 -0.032 1 1 219 . 18 1 1 A 24 24 TRP CA C 24 54.989 55.855 -0.866 1 1 220 . 18 1 1 A 24 24 TRP CB C 24 32.901 34.000 -1.099 1 1 226 . 18 1 1 A 24 24 TRP N N 24 116.709 122.714 -6.005 1 1 228 . 18 1 1 A 25 25 SER HA H 25 2.990 3.087 -0.097 1 1 231 . 18 1 1 A 25 25 SER CA C 25 61.025 60.205 0.820 1 1 232 . 18 1 1 A 25 25 SER CB C 25 61.769 63.016 -1.247 1 1 233 . 18 1 1 A 26 26 CYS HA H 26 4.272 4.169 0.103 1 1 236 . 18 1 1 A 26 26 CYS CA C 26 60.467 63.036 -2.569 1 1 237 . 18 1 1 A 26 26 CYS CB C 26 26.503 27.665 -1.162 1 1 238 . 18 1 1 A 26 26 CYS N N 26 116.694 120.040 -3.346 1 1 239 . 18 1 1 A 27 27 SER HA H 27 4.265 4.096 0.169 1 1 242 . 18 1 1 A 27 27 SER C C 27 176.277 176.182 0.095 1 1 243 . 18 1 1 A 27 27 SER CA C 27 60.808 62.152 -1.344 1 1 244 . 18 1 1 A 27 27 SER CB C 27 62.592 62.603 -0.011 1 1 245 . 18 1 1 A 27 27 SER N N 27 115.000 116.561 -1.561 1 1 246 . 18 1 1 A 28 28 LEU H H 28 6.993 7.943 -0.950 1 1 247 . 18 1 1 A 28 28 LEU HA H 28 3.081 2.275 0.806 1 1 257 . 18 1 1 A 28 28 LEU C C 28 177.247 178.672 -1.425 1 1 258 . 18 1 1 A 28 28 LEU CA C 28 57.825 57.560 0.265 1 1 259 . 18 1 1 A 28 28 LEU CB C 28 40.078 41.235 -1.157 1 1 263 . 18 1 1 A 28 28 LEU N N 28 124.148 122.143 2.005 1 1 264 . 18 1 1 A 29 29 PHE H H 29 8.208 8.232 -0.024 1 1 265 . 18 1 1 A 29 29 PHE HA H 29 4.178 3.918 0.260 1 1 273 . 18 1 1 A 29 29 PHE C C 29 178.527 177.830 0.697 1 1 274 . 18 1 1 A 29 29 PHE CA C 29 61.303 61.815 -0.512 1 1 275 . 18 1 1 A 29 29 PHE CB C 29 37.971 39.016 -1.045 1 1 281 . 18 1 1 A 29 29 PHE N N 29 118.075 119.381 -1.306 1 1 282 . 18 1 1 A 30 30 LYS H H 30 7.660 7.963 -0.303 1 1 283 . 18 1 1 A 30 30 LYS HA H 30 3.959 4.144 -0.185 1 1 292 . 18 1 1 A 30 30 LYS C C 30 179.126 178.606 0.520 1 1 293 . 18 1 1 A 30 30 LYS CA C 30 59.586 59.222 0.364 1 1 294 . 18 1 1 A 30 30 LYS CB C 30 32.503 32.025 0.478 1 1 298 . 18 1 1 A 30 30 LYS N N 30 118.194 118.648 -0.454 1 1 299 . 18 1 1 A 31 31 HIS H H 31 7.637 8.323 -0.686 1 1 300 . 18 1 1 A 31 31 HIS HA H 31 4.205 4.280 -0.075 1 1 305 . 18 1 1 A 31 31 HIS C C 31 177.985 176.938 1.047 1 1 306 . 18 1 1 A 31 31 HIS CA C 31 59.463 59.028 0.435 1 1 307 . 18 1 1 A 31 31 HIS CB C 31 28.534 30.122 -1.588 1 1 310 . 18 1 1 A 31 31 HIS N N 31 119.604 119.738 -0.134 1 1 311 . 18 1 1 A 32 32 LEU H H 32 8.690 8.646 0.044 1 1 312 . 18 1 1 A 32 32 LEU HA H 32 3.861 4.016 -0.155 1 1 322 . 18 1 1 A 32 32 LEU C C 32 179.506 179.150 0.356 1 1 323 . 18 1 1 A 32 32 LEU CA C 32 58.447 57.891 0.556 1 1 324 . 18 1 1 A 32 32 LEU CB C 32 41.560 41.354 0.206 1 1 328 . 18 1 1 A 32 32 LEU N N 32 121.283 119.501 1.782 1 1 329 . 18 1 1 A 33 33 ARG H H 33 7.178 7.979 -0.801 1 1 330 . 18 1 1 A 33 33 ARG HA H 33 4.071 3.996 0.075 1 1 337 . 18 1 1 A 33 33 ARG C C 33 178.314 178.106 0.208 1 1 338 . 18 1 1 A 33 33 ARG CA C 33 58.320 58.451 -0.131 1 1 339 . 18 1 1 A 33 33 ARG CB C 33 29.531 30.051 -0.520 1 1 342 . 18 1 1 A 33 33 ARG N N 33 117.400 117.787 -0.387 1 1 343 . 18 1 1 A 34 34 SER H H 34 7.837 8.096 -0.259 1 1 344 . 18 1 1 A 34 34 SER HA H 34 4.196 4.054 0.142 1 1 347 . 18 1 1 A 34 34 SER C C 34 174.873 175.414 -0.541 1 1 348 . 18 1 1 A 34 34 SER CA C 34 60.482 61.351 -0.869 1 1 349 . 18 1 1 A 34 34 SER CB C 34 63.140 62.657 0.483 1 1 350 . 18 1 1 A 34 34 SER N N 34 114.440 116.745 -2.305 1 1 351 . 18 1 1 A 35 35 HIS H H 35 7.204 7.888 -0.684 1 1 352 . 18 1 1 A 35 35 HIS HA H 35 4.773 4.511 0.262 1 1 357 . 18 1 1 A 35 35 HIS C C 35 174.959 177.521 -2.562 1 1 358 . 18 1 1 A 35 35 HIS CA C 35 55.192 57.893 -2.701 1 1 359 . 18 1 1 A 35 35 HIS CB C 35 29.005 31.198 -2.193 1 1 362 . 18 1 1 A 35 35 HIS N N 35 118.479 116.943 1.536 1 1 363 . 18 1 1 A 36 36 GLU H H 36 7.583 8.699 -1.116 1 1 364 . 18 1 1 A 36 36 GLU HA H 36 4.256 4.018 0.238 1 1 369 . 18 1 1 A 36 36 GLU C C 36 176.328 176.056 0.272 1 1 370 . 18 1 1 A 36 36 GLU CA C 36 56.841 58.453 -1.612 1 1 371 . 18 1 1 A 36 36 GLU CB C 36 30.329 28.801 1.528 1 1 373 . 18 1 1 A 36 36 GLU N N 36 120.262 116.950 3.312 1 1 374 . 18 1 1 A 37 37 ARG H H 37 8.387 7.568 0.819 1 1 375 . 18 1 1 A 37 37 ARG HA H 37 4.453 4.803 -0.350 1 1 382 . 18 1 1 A 37 37 ARG C C 37 176.254 174.896 1.358 1 1 383 . 18 1 1 A 37 37 ARG CA C 37 55.900 54.861 1.039 1 1 384 . 18 1 1 A 37 37 ARG CB C 37 30.906 31.607 -0.701 1 1 387 . 18 1 1 A 37 37 ARG N N 37 122.086 120.378 1.708 1 1 388 . 18 1 1 A 38 38 THR H H 38 8.275 8.799 -0.524 1 1 389 . 18 1 1 A 38 38 THR HA H 38 4.328 4.688 -0.360 1 1 394 . 18 1 1 A 38 38 THR C C 38 174.006 174.245 -0.239 1 1 395 . 18 1 1 A 38 38 THR CA C 38 61.731 61.263 0.468 1 1 396 . 18 1 1 A 38 38 THR CB C 38 69.937 71.891 -1.954 1 1 398 . 18 1 1 A 38 38 THR N N 38 115.922 120.584 -4.662 1 1 399 . 18 1 1 A 39 39 ASP H H 39 8.437 9.014 -0.577 1 1 400 . 18 1 1 A 39 39 ASP HA H 39 4.900 4.536 0.364 1 1 403 . 18 1 1 A 39 39 ASP C C 39 174.780 176.007 -1.227 1 1 404 . 18 1 1 A 39 39 ASP CA C 39 52.198 59.068 -6.870 1 1 405 . 18 1 1 A 39 39 ASP CB C 39 41.197 39.358 1.839 1 1 406 . 18 1 1 A 39 39 ASP N N 39 124.343 127.422 -3.079 1 1 407 . 18 1 1 A 40 40 PRO HA H 40 4.467 4.387 0.080 1 1 414 . 18 1 1 A 40 40 PRO CA C 40 63.632 62.285 1.347 1 1 415 . 18 1 1 A 40 40 PRO CB C 40 32.113 33.218 -1.105 1 1 418 . 18 1 1 A 41 41 SER H H 41 8.481 8.576 -0.095 1 1 419 . 18 1 1 A 41 41 SER HA H 41 4.463 4.575 -0.112 1 1 422 . 18 1 1 A 41 41 SER CA C 41 58.677 58.312 0.365 1 1 423 . 18 1 1 A 41 41 SER CB C 41 63.874 64.704 -0.830 1 1 424 . 18 1 1 A 41 41 SER N N 41 115.801 112.587 3.214 1 1 425 . 18 1 1 A 42 42 GLY H H 42 8.086 7.341 0.745 1 1 426 . 18 1 1 A 42 42 GLY HA2 H 42 4.173 4.060 0.113 1 1 427 . 18 1 1 A 42 42 GLY HA3 H 42 4.065 4.068 -0.003 1 1 428 . 18 1 1 A 42 42 GLY CA C 42 44.752 44.352 0.400 1 1 429 . 18 1 1 A 42 42 GLY N N 42 110.426 108.559 1.867 1 1 430 . 18 1 1 A 43 43 PRO HA H 43 4.488 4.557 -0.069 1 1 437 . 18 1 1 A 43 43 PRO CA C 43 63.241 62.690 0.551 1 1 438 . 18 1 1 A 43 43 PRO CB C 43 32.157 32.010 0.147 1 1 1 . 19 1 1 A 4 4 GLY HA2 H 4 4.452 4.026 0.426 1 1 2 . 19 1 1 A 4 4 GLY HA3 H 4 4.452 4.029 0.423 1 1 3 . 19 1 1 A 4 4 GLY C C 4 177.372 174.411 2.961 1 1 4 . 19 1 1 A 5 5 SER H H 5 8.514 8.977 -0.463 1 1 5 . 19 1 1 A 5 5 SER HA H 5 4.517 4.352 0.165 1 1 8 . 19 1 1 A 5 5 SER C C 5 174.470 175.241 -0.771 1 1 9 . 19 1 1 A 5 5 SER CA C 5 58.246 62.131 -3.885 1 1 10 . 19 1 1 A 5 5 SER CB C 5 63.845 63.270 0.575 1 1 11 . 19 1 1 A 5 5 SER N N 5 116.459 117.193 -0.734 1 1 12 . 19 1 1 A 6 6 SER C C 6 173.892 173.999 -0.107 1 1 13 . 19 1 1 A 6 6 SER CA C 6 58.410 57.556 0.854 1 1 14 . 19 1 1 A 6 6 SER CB C 6 64.048 62.590 1.458 1 1 15 . 19 1 1 A 6 6 SER N N 6 118.058 115.302 2.756 1 1 16 . 19 1 1 A 7 7 GLY HA2 H 7 4.032 4.213 -0.181 1 1 17 . 19 1 1 A 7 7 GLY HA3 H 7 4.032 4.215 -0.183 1 1 18 . 19 1 1 A 7 7 GLY C C 7 174.503 174.076 0.427 1 1 19 . 19 1 1 A 7 7 GLY CA C 7 45.426 44.990 0.436 1 1 20 . 19 1 1 A 7 7 GLY N N 7 117.426 115.312 2.114 1 1 21 . 19 1 1 A 8 8 THR H H 8 8.134 8.725 -0.591 1 1 22 . 19 1 1 A 8 8 THR HA H 8 4.361 4.393 -0.032 1 1 27 . 19 1 1 A 8 8 THR C C 8 175.191 174.017 1.174 1 1 28 . 19 1 1 A 8 8 THR CA C 8 61.847 63.227 -1.380 1 1 29 . 19 1 1 A 8 8 THR CB C 8 69.840 70.098 -0.258 1 1 31 . 19 1 1 A 8 8 THR N N 8 112.760 119.648 -6.888 1 1 32 . 19 1 1 A 9 9 GLY H H 9 8.413 7.842 0.571 1 1 33 . 19 1 1 A 9 9 GLY HA2 H 9 3.947 4.116 -0.169 1 1 34 . 19 1 1 A 9 9 GLY HA3 H 9 3.900 4.121 -0.221 1 1 35 . 19 1 1 A 9 9 GLY C C 9 174.023 172.737 1.286 1 1 36 . 19 1 1 A 9 9 GLY CA C 9 45.259 44.467 0.792 1 1 37 . 19 1 1 A 9 9 GLY N N 9 110.903 109.288 1.615 1 1 38 . 19 1 1 A 10 10 GLU H H 10 8.200 8.362 -0.162 1 1 39 . 19 1 1 A 10 10 GLU HA H 10 4.168 4.414 -0.246 1 1 44 . 19 1 1 A 10 10 GLU C C 10 176.430 176.270 0.160 1 1 45 . 19 1 1 A 10 10 GLU CA C 10 56.773 56.169 0.604 1 1 46 . 19 1 1 A 10 10 GLU CB C 10 30.405 30.432 -0.027 1 1 48 . 19 1 1 A 10 10 GLU N N 10 120.140 119.762 0.378 1 1 49 . 19 1 1 A 11 11 LYS H H 11 8.325 8.733 -0.408 1 1 50 . 19 1 1 A 11 11 LYS HA H 11 4.496 4.846 -0.350 1 1 59 . 19 1 1 A 11 11 LYS C C 11 174.166 176.067 -1.901 1 1 60 . 19 1 1 A 11 11 LYS CA C 11 53.920 52.253 1.667 1 1 61 . 19 1 1 A 11 11 LYS CB C 11 33.107 33.130 -0.023 1 1 65 . 19 1 1 A 11 11 LYS N N 11 122.011 122.433 -0.422 1 1 66 . 19 1 1 A 12 12 PRO HA H 12 4.242 4.277 -0.035 1 1 73 . 19 1 1 A 12 12 PRO C C 12 176.359 176.218 0.141 1 1 74 . 19 1 1 A 12 12 PRO CA C 12 63.623 64.995 -1.372 1 1 75 . 19 1 1 A 12 12 PRO CB C 12 32.138 31.770 0.368 1 1 78 . 19 1 1 A 13 13 PHE H H 13 7.984 7.947 0.037 1 1 79 . 19 1 1 A 13 13 PHE HA H 13 4.695 4.880 -0.185 1 1 87 . 19 1 1 A 13 13 PHE C C 13 174.248 175.259 -1.011 1 1 88 . 19 1 1 A 13 13 PHE CA C 13 56.993 57.562 -0.569 1 1 89 . 19 1 1 A 13 13 PHE CB C 13 39.591 41.257 -1.666 1 1 95 . 19 1 1 A 13 13 PHE N N 13 118.237 118.154 0.083 1 1 96 . 19 1 1 A 14 14 GLN H H 14 8.591 8.862 -0.271 1 1 97 . 19 1 1 A 14 14 GLN HA H 14 5.175 5.007 0.168 1 1 104 . 19 1 1 A 14 14 GLN C C 14 174.744 173.796 0.948 1 1 105 . 19 1 1 A 14 14 GLN CA C 14 54.668 55.025 -0.357 1 1 106 . 19 1 1 A 14 14 GLN CB C 14 32.675 33.312 -0.637 1 1 108 . 19 1 1 A 14 14 GLN N N 14 123.552 120.301 3.251 1 1 110 . 19 1 1 A 15 15 CYS H H 15 9.221 9.086 0.135 1 1 111 . 19 1 1 A 15 15 CYS HA H 15 4.576 4.738 -0.162 1 1 114 . 19 1 1 A 15 15 CYS C C 15 177.443 176.159 1.284 1 1 115 . 19 1 1 A 15 15 CYS CA C 15 59.565 58.083 1.482 1 1 116 . 19 1 1 A 15 15 CYS CB C 15 29.940 28.638 1.302 1 1 117 . 19 1 1 A 15 15 CYS N N 15 128.096 123.657 4.439 1 1 118 . 19 1 1 A 16 16 LYS H H 16 9.439 9.000 0.439 1 1 119 . 19 1 1 A 16 16 LYS HA H 16 4.204 4.244 -0.040 1 1 128 . 19 1 1 A 16 16 LYS C C 16 176.882 177.383 -0.501 1 1 129 . 19 1 1 A 16 16 LYS CA C 16 58.170 58.264 -0.094 1 1 130 . 19 1 1 A 16 16 LYS CB C 16 32.153 32.209 -0.056 1 1 134 . 19 1 1 A 16 16 LYS N N 16 132.264 127.930 4.334 1 1 135 . 19 1 1 A 17 17 GLU H H 17 8.836 7.935 0.901 1 1 136 . 19 1 1 A 17 17 GLU HA H 17 4.201 4.207 -0.006 1 1 141 . 19 1 1 A 17 17 GLU C C 17 177.524 178.160 -0.636 1 1 142 . 19 1 1 A 17 17 GLU CA C 17 58.138 58.192 -0.054 1 1 143 . 19 1 1 A 17 17 GLU CB C 17 29.276 30.125 -0.849 1 1 145 . 19 1 1 A 17 17 GLU N N 17 120.919 117.717 3.202 1 1 146 . 19 1 1 A 18 18 CYS H H 18 8.312 8.046 0.266 1 1 147 . 19 1 1 A 18 18 CYS HA H 18 5.162 4.699 0.463 1 1 150 . 19 1 1 A 18 18 CYS C C 18 176.325 176.071 0.254 1 1 151 . 19 1 1 A 18 18 CYS CA C 18 58.284 58.976 -0.692 1 1 152 . 19 1 1 A 18 18 CYS CB C 18 32.594 30.661 1.933 1 1 153 . 19 1 1 A 18 18 CYS N N 18 115.693 114.554 1.139 1 1 154 . 19 1 1 A 19 19 GLY H H 19 8.106 8.236 -0.130 1 1 155 . 19 1 1 A 19 19 GLY HA2 H 19 4.219 3.972 0.247 1 1 156 . 19 1 1 A 19 19 GLY HA3 H 19 3.757 3.980 -0.223 1 1 157 . 19 1 1 A 19 19 GLY C C 19 173.852 174.680 -0.828 1 1 158 . 19 1 1 A 19 19 GLY CA C 19 46.048 45.051 0.997 1 1 159 . 19 1 1 A 19 19 GLY N N 19 113.172 109.947 3.225 1 1 160 . 19 1 1 A 20 20 MET H H 20 7.952 7.666 0.286 1 1 161 . 19 1 1 A 20 20 MET HA H 20 3.997 4.274 -0.277 1 1 169 . 19 1 1 A 20 20 MET C C 20 173.729 176.340 -2.611 1 1 170 . 19 1 1 A 20 20 MET CA C 20 57.756 56.169 1.587 1 1 171 . 19 1 1 A 20 20 MET CB C 20 33.879 32.995 0.884 1 1 174 . 19 1 1 A 20 20 MET N N 20 122.129 121.203 0.926 1 1 175 . 19 1 1 A 21 21 ASN H H 21 7.960 8.492 -0.532 1 1 176 . 19 1 1 A 21 21 ASN HA H 21 5.375 5.482 -0.107 1 1 181 . 19 1 1 A 21 21 ASN C C 21 173.981 174.163 -0.182 1 1 182 . 19 1 1 A 21 21 ASN CA C 21 52.027 51.823 0.204 1 1 183 . 19 1 1 A 21 21 ASN CB C 21 41.679 40.271 1.408 1 1 184 . 19 1 1 A 21 21 ASN N N 21 119.653 121.810 -2.157 1 1 186 . 19 1 1 A 22 22 PHE H H 22 8.724 8.636 0.088 1 1 187 . 19 1 1 A 22 22 PHE HA H 22 4.722 4.920 -0.198 1 1 195 . 19 1 1 A 22 22 PHE C C 22 175.430 175.836 -0.406 1 1 196 . 19 1 1 A 22 22 PHE CA C 22 57.156 56.975 0.181 1 1 197 . 19 1 1 A 22 22 PHE CB C 22 43.843 42.681 1.162 1 1 203 . 19 1 1 A 22 22 PHE N N 22 116.386 119.434 -3.048 1 1 204 . 19 1 1 A 23 23 SER HA H 23 4.470 4.399 0.071 1 1 207 . 19 1 1 A 23 23 SER CA C 23 60.762 61.557 -0.795 1 1 208 . 19 1 1 A 23 23 SER CB C 23 63.389 62.857 0.532 1 1 209 . 19 1 1 A 24 24 TRP H H 24 7.303 7.801 -0.498 1 1 210 . 19 1 1 A 24 24 TRP HA H 24 5.114 4.759 0.355 1 1 219 . 19 1 1 A 24 24 TRP CA C 24 54.989 57.617 -2.628 1 1 220 . 19 1 1 A 24 24 TRP CB C 24 32.901 30.339 2.562 1 1 226 . 19 1 1 A 24 24 TRP N N 24 116.709 120.632 -3.923 1 1 228 . 19 1 1 A 25 25 SER HA H 25 2.990 2.841 0.149 1 1 231 . 19 1 1 A 25 25 SER CA C 25 61.025 60.800 0.225 1 1 232 . 19 1 1 A 25 25 SER CB C 25 61.769 63.528 -1.759 1 1 233 . 19 1 1 A 26 26 CYS HA H 26 4.272 4.119 0.153 1 1 236 . 19 1 1 A 26 26 CYS CA C 26 60.467 62.095 -1.628 1 1 237 . 19 1 1 A 26 26 CYS CB C 26 26.503 26.913 -0.410 1 1 238 . 19 1 1 A 26 26 CYS N N 26 116.694 120.543 -3.849 1 1 239 . 19 1 1 A 27 27 SER HA H 27 4.265 4.059 0.206 1 1 242 . 19 1 1 A 27 27 SER C C 27 176.277 176.095 0.182 1 1 243 . 19 1 1 A 27 27 SER CA C 27 60.808 62.190 -1.382 1 1 244 . 19 1 1 A 27 27 SER CB C 27 62.592 62.697 -0.105 1 1 245 . 19 1 1 A 27 27 SER N N 27 115.000 117.034 -2.034 1 1 246 . 19 1 1 A 28 28 LEU H H 28 6.993 7.909 -0.916 1 1 247 . 19 1 1 A 28 28 LEU HA H 28 3.081 2.604 0.477 1 1 257 . 19 1 1 A 28 28 LEU C C 28 177.247 178.653 -1.406 1 1 258 . 19 1 1 A 28 28 LEU CA C 28 57.825 57.837 -0.012 1 1 259 . 19 1 1 A 28 28 LEU CB C 28 40.078 41.428 -1.350 1 1 263 . 19 1 1 A 28 28 LEU N N 28 124.148 122.393 1.755 1 1 264 . 19 1 1 A 29 29 PHE H H 29 8.208 8.319 -0.111 1 1 265 . 19 1 1 A 29 29 PHE HA H 29 4.178 3.911 0.267 1 1 273 . 19 1 1 A 29 29 PHE C C 29 178.527 177.695 0.832 1 1 274 . 19 1 1 A 29 29 PHE CA C 29 61.303 61.876 -0.573 1 1 275 . 19 1 1 A 29 29 PHE CB C 29 37.971 39.181 -1.210 1 1 281 . 19 1 1 A 29 29 PHE N N 29 118.075 119.414 -1.339 1 1 282 . 19 1 1 A 30 30 LYS H H 30 7.660 7.779 -0.119 1 1 283 . 19 1 1 A 30 30 LYS HA H 30 3.959 3.996 -0.037 1 1 292 . 19 1 1 A 30 30 LYS C C 30 179.126 178.654 0.472 1 1 293 . 19 1 1 A 30 30 LYS CA C 30 59.586 59.446 0.140 1 1 294 . 19 1 1 A 30 30 LYS CB C 30 32.503 32.012 0.491 1 1 298 . 19 1 1 A 30 30 LYS N N 30 118.194 117.880 0.314 1 1 299 . 19 1 1 A 31 31 HIS H H 31 7.637 8.318 -0.681 1 1 300 . 19 1 1 A 31 31 HIS HA H 31 4.205 4.225 -0.020 1 1 305 . 19 1 1 A 31 31 HIS C C 31 177.985 176.964 1.021 1 1 306 . 19 1 1 A 31 31 HIS CA C 31 59.463 59.094 0.369 1 1 307 . 19 1 1 A 31 31 HIS CB C 31 28.534 30.014 -1.480 1 1 310 . 19 1 1 A 31 31 HIS N N 31 119.604 119.698 -0.094 1 1 311 . 19 1 1 A 32 32 LEU H H 32 8.690 8.708 -0.018 1 1 312 . 19 1 1 A 32 32 LEU HA H 32 3.861 3.994 -0.133 1 1 322 . 19 1 1 A 32 32 LEU C C 32 179.506 179.225 0.281 1 1 323 . 19 1 1 A 32 32 LEU CA C 32 58.447 58.124 0.323 1 1 324 . 19 1 1 A 32 32 LEU CB C 32 41.560 41.235 0.325 1 1 328 . 19 1 1 A 32 32 LEU N N 32 121.283 119.578 1.705 1 1 329 . 19 1 1 A 33 33 ARG H H 33 7.178 7.854 -0.676 1 1 330 . 19 1 1 A 33 33 ARG HA H 33 4.071 3.959 0.112 1 1 337 . 19 1 1 A 33 33 ARG C C 33 178.314 177.665 0.649 1 1 338 . 19 1 1 A 33 33 ARG CA C 33 58.320 58.637 -0.317 1 1 339 . 19 1 1 A 33 33 ARG CB C 33 29.531 29.915 -0.384 1 1 342 . 19 1 1 A 33 33 ARG N N 33 117.400 117.736 -0.336 1 1 343 . 19 1 1 A 34 34 SER H H 34 7.837 8.213 -0.376 1 1 344 . 19 1 1 A 34 34 SER HA H 34 4.196 4.111 0.085 1 1 347 . 19 1 1 A 34 34 SER C C 34 174.873 175.355 -0.482 1 1 348 . 19 1 1 A 34 34 SER CA C 34 60.482 60.988 -0.506 1 1 349 . 19 1 1 A 34 34 SER CB C 34 63.140 62.300 0.840 1 1 350 . 19 1 1 A 34 34 SER N N 34 114.440 114.602 -0.162 1 1 351 . 19 1 1 A 35 35 HIS H H 35 7.204 7.935 -0.731 1 1 352 . 19 1 1 A 35 35 HIS HA H 35 4.773 4.472 0.301 1 1 357 . 19 1 1 A 35 35 HIS C C 35 174.959 177.715 -2.756 1 1 358 . 19 1 1 A 35 35 HIS CA C 35 55.192 58.008 -2.816 1 1 359 . 19 1 1 A 35 35 HIS CB C 35 29.005 31.146 -2.141 1 1 362 . 19 1 1 A 35 35 HIS N N 35 118.479 118.942 -0.463 1 1 363 . 19 1 1 A 36 36 GLU H H 36 7.583 8.459 -0.876 1 1 364 . 19 1 1 A 36 36 GLU HA H 36 4.256 3.986 0.270 1 1 369 . 19 1 1 A 36 36 GLU C C 36 176.328 176.707 -0.379 1 1 370 . 19 1 1 A 36 36 GLU CA C 36 56.841 59.243 -2.402 1 1 371 . 19 1 1 A 36 36 GLU CB C 36 30.329 29.015 1.314 1 1 373 . 19 1 1 A 36 36 GLU N N 36 120.262 117.492 2.770 1 1 374 . 19 1 1 A 37 37 ARG H H 37 8.387 7.662 0.725 1 1 375 . 19 1 1 A 37 37 ARG HA H 37 4.453 4.170 0.283 1 1 382 . 19 1 1 A 37 37 ARG C C 37 176.254 176.161 0.093 1 1 383 . 19 1 1 A 37 37 ARG CA C 37 55.900 55.793 0.107 1 1 384 . 19 1 1 A 37 37 ARG CB C 37 30.906 31.012 -0.106 1 1 387 . 19 1 1 A 37 37 ARG N N 37 122.086 121.765 0.321 1 1 388 . 19 1 1 A 38 38 THR H H 38 8.275 8.341 -0.066 1 1 389 . 19 1 1 A 38 38 THR HA H 38 4.328 4.146 0.182 1 1 394 . 19 1 1 A 38 38 THR C C 38 174.006 174.692 -0.686 1 1 395 . 19 1 1 A 38 38 THR CA C 38 61.731 64.071 -2.340 1 1 396 . 19 1 1 A 38 38 THR CB C 38 69.937 69.417 0.520 1 1 398 . 19 1 1 A 38 38 THR N N 38 115.922 118.370 -2.448 1 1 399 . 19 1 1 A 39 39 ASP H H 39 8.437 8.762 -0.325 1 1 400 . 19 1 1 A 39 39 ASP HA H 39 4.900 4.827 0.073 1 1 403 . 19 1 1 A 39 39 ASP C C 39 174.780 174.400 0.380 1 1 404 . 19 1 1 A 39 39 ASP CA C 39 52.198 52.706 -0.508 1 1 405 . 19 1 1 A 39 39 ASP CB C 39 41.197 40.309 0.888 1 1 406 . 19 1 1 A 39 39 ASP N N 39 124.343 126.644 -2.301 1 1 407 . 19 1 1 A 40 40 PRO HA H 40 4.467 4.673 -0.206 1 1 414 . 19 1 1 A 40 40 PRO CA C 40 63.632 62.728 0.904 1 1 415 . 19 1 1 A 40 40 PRO CB C 40 32.113 32.658 -0.545 1 1 418 . 19 1 1 A 41 41 SER H H 41 8.481 8.589 -0.108 1 1 419 . 19 1 1 A 41 41 SER HA H 41 4.463 4.639 -0.176 1 1 422 . 19 1 1 A 41 41 SER CA C 41 58.677 57.247 1.430 1 1 423 . 19 1 1 A 41 41 SER CB C 41 63.874 63.040 0.834 1 1 424 . 19 1 1 A 41 41 SER N N 41 115.801 117.190 -1.389 1 1 425 . 19 1 1 A 42 42 GLY H H 42 8.086 8.088 -0.002 1 1 426 . 19 1 1 A 42 42 GLY HA2 H 42 4.173 4.156 0.017 1 1 427 . 19 1 1 A 42 42 GLY HA3 H 42 4.065 4.156 -0.091 1 1 428 . 19 1 1 A 42 42 GLY CA C 42 44.752 44.065 0.687 1 1 429 . 19 1 1 A 42 42 GLY N N 42 110.426 110.014 0.412 1 1 430 . 19 1 1 A 43 43 PRO HA H 43 4.488 4.482 0.006 1 1 437 . 19 1 1 A 43 43 PRO CA C 43 63.241 62.815 0.426 1 1 438 . 19 1 1 A 43 43 PRO CB C 43 32.157 32.178 -0.021 1 1 1 . 20 1 1 A 4 4 GLY HA2 H 4 4.452 4.161 0.291 1 1 2 . 20 1 1 A 4 4 GLY HA3 H 4 4.452 4.162 0.290 1 1 3 . 20 1 1 A 4 4 GLY C C 4 177.372 173.640 3.732 1 1 4 . 20 1 1 A 5 5 SER H H 5 8.514 8.435 0.079 1 1 5 . 20 1 1 A 5 5 SER HA H 5 4.517 4.633 -0.116 1 1 8 . 20 1 1 A 5 5 SER C C 5 174.470 174.281 0.189 1 1 9 . 20 1 1 A 5 5 SER CA C 5 58.246 59.557 -1.311 1 1 10 . 20 1 1 A 5 5 SER CB C 5 63.845 65.699 -1.854 1 1 11 . 20 1 1 A 5 5 SER N N 5 116.459 121.308 -4.849 1 1 12 . 20 1 1 A 6 6 SER C C 6 173.892 173.305 0.587 1 1 13 . 20 1 1 A 6 6 SER CA C 6 58.410 57.002 1.408 1 1 14 . 20 1 1 A 6 6 SER CB C 6 64.048 66.115 -2.067 1 1 15 . 20 1 1 A 6 6 SER N N 6 118.058 112.376 5.682 1 1 16 . 20 1 1 A 7 7 GLY HA2 H 7 4.032 4.253 -0.221 1 1 17 . 20 1 1 A 7 7 GLY HA3 H 7 4.032 4.254 -0.222 1 1 18 . 20 1 1 A 7 7 GLY C C 7 174.503 172.059 2.444 1 1 19 . 20 1 1 A 7 7 GLY CA C 7 45.426 45.774 -0.348 1 1 20 . 20 1 1 A 7 7 GLY N N 7 117.426 109.407 8.019 1 1 21 . 20 1 1 A 8 8 THR H H 8 8.134 8.698 -0.564 1 1 22 . 20 1 1 A 8 8 THR HA H 8 4.361 5.044 -0.683 1 1 27 . 20 1 1 A 8 8 THR C C 8 175.191 172.915 2.276 1 1 28 . 20 1 1 A 8 8 THR CA C 8 61.847 60.052 1.795 1 1 29 . 20 1 1 A 8 8 THR CB C 8 69.840 71.111 -1.271 1 1 31 . 20 1 1 A 8 8 THR N N 8 112.760 117.098 -4.338 1 1 32 . 20 1 1 A 9 9 GLY H H 9 8.413 8.469 -0.056 1 1 33 . 20 1 1 A 9 9 GLY HA2 H 9 3.947 4.111 -0.164 1 1 34 . 20 1 1 A 9 9 GLY HA3 H 9 3.900 4.112 -0.212 1 1 35 . 20 1 1 A 9 9 GLY C C 9 174.023 172.228 1.795 1 1 36 . 20 1 1 A 9 9 GLY CA C 9 45.259 45.671 -0.412 1 1 37 . 20 1 1 A 9 9 GLY N N 9 110.903 111.460 -0.557 1 1 38 . 20 1 1 A 10 10 GLU H H 10 8.200 9.082 -0.882 1 1 39 . 20 1 1 A 10 10 GLU HA H 10 4.168 5.094 -0.926 1 1 44 . 20 1 1 A 10 10 GLU C C 10 176.430 175.464 0.966 1 1 45 . 20 1 1 A 10 10 GLU CA C 10 56.773 55.098 1.675 1 1 46 . 20 1 1 A 10 10 GLU CB C 10 30.405 32.187 -1.782 1 1 48 . 20 1 1 A 10 10 GLU N N 10 120.140 122.425 -2.285 1 1 49 . 20 1 1 A 11 11 LYS H H 11 8.325 8.717 -0.392 1 1 50 . 20 1 1 A 11 11 LYS HA H 11 4.496 4.852 -0.356 1 1 59 . 20 1 1 A 11 11 LYS C C 11 174.166 176.096 -1.930 1 1 60 . 20 1 1 A 11 11 LYS CA C 11 53.920 53.103 0.817 1 1 61 . 20 1 1 A 11 11 LYS CB C 11 33.107 35.215 -2.108 1 1 65 . 20 1 1 A 11 11 LYS N N 11 122.011 122.122 -0.111 1 1 66 . 20 1 1 A 12 12 PRO HA H 12 4.242 4.266 -0.024 1 1 73 . 20 1 1 A 12 12 PRO C C 12 176.359 176.259 0.100 1 1 74 . 20 1 1 A 12 12 PRO CA C 12 63.623 64.948 -1.325 1 1 75 . 20 1 1 A 12 12 PRO CB C 12 32.138 31.886 0.252 1 1 78 . 20 1 1 A 13 13 PHE H H 13 7.984 7.431 0.553 1 1 79 . 20 1 1 A 13 13 PHE HA H 13 4.695 5.313 -0.618 1 1 87 . 20 1 1 A 13 13 PHE C C 13 174.248 174.292 -0.044 1 1 88 . 20 1 1 A 13 13 PHE CA C 13 56.993 56.839 0.154 1 1 89 . 20 1 1 A 13 13 PHE CB C 13 39.591 42.047 -2.456 1 1 95 . 20 1 1 A 13 13 PHE N N 13 118.237 117.647 0.590 1 1 96 . 20 1 1 A 14 14 GLN H H 14 8.591 8.831 -0.240 1 1 97 . 20 1 1 A 14 14 GLN HA H 14 5.175 5.189 -0.014 1 1 104 . 20 1 1 A 14 14 GLN C C 14 174.744 173.886 0.858 1 1 105 . 20 1 1 A 14 14 GLN CA C 14 54.668 54.745 -0.077 1 1 106 . 20 1 1 A 14 14 GLN CB C 14 32.675 33.083 -0.408 1 1 108 . 20 1 1 A 14 14 GLN N N 14 123.552 120.293 3.259 1 1 110 . 20 1 1 A 15 15 CYS H H 15 9.221 9.174 0.047 1 1 111 . 20 1 1 A 15 15 CYS HA H 15 4.576 4.711 -0.135 1 1 114 . 20 1 1 A 15 15 CYS C C 15 177.443 176.108 1.335 1 1 115 . 20 1 1 A 15 15 CYS CA C 15 59.565 58.198 1.367 1 1 116 . 20 1 1 A 15 15 CYS CB C 15 29.940 28.530 1.410 1 1 117 . 20 1 1 A 15 15 CYS N N 15 128.096 124.060 4.036 1 1 118 . 20 1 1 A 16 16 LYS H H 16 9.439 8.971 0.468 1 1 119 . 20 1 1 A 16 16 LYS HA H 16 4.204 4.227 -0.023 1 1 128 . 20 1 1 A 16 16 LYS C C 16 176.882 177.216 -0.334 1 1 129 . 20 1 1 A 16 16 LYS CA C 16 58.170 58.264 -0.094 1 1 130 . 20 1 1 A 16 16 LYS CB C 16 32.153 32.312 -0.159 1 1 134 . 20 1 1 A 16 16 LYS N N 16 132.264 127.877 4.387 1 1 135 . 20 1 1 A 17 17 GLU H H 17 8.836 7.901 0.935 1 1 136 . 20 1 1 A 17 17 GLU HA H 17 4.201 4.245 -0.044 1 1 141 . 20 1 1 A 17 17 GLU C C 17 177.524 178.102 -0.578 1 1 142 . 20 1 1 A 17 17 GLU CA C 17 58.138 57.966 0.172 1 1 143 . 20 1 1 A 17 17 GLU CB C 17 29.276 30.034 -0.758 1 1 145 . 20 1 1 A 17 17 GLU N N 17 120.919 117.566 3.353 1 1 146 . 20 1 1 A 18 18 CYS H H 18 8.312 7.953 0.359 1 1 147 . 20 1 1 A 18 18 CYS HA H 18 5.162 4.693 0.469 1 1 150 . 20 1 1 A 18 18 CYS C C 18 176.325 176.131 0.194 1 1 151 . 20 1 1 A 18 18 CYS CA C 18 58.284 58.977 -0.693 1 1 152 . 20 1 1 A 18 18 CYS CB C 18 32.594 30.515 2.079 1 1 153 . 20 1 1 A 18 18 CYS N N 18 115.693 114.964 0.729 1 1 154 . 20 1 1 A 19 19 GLY H H 19 8.106 8.355 -0.249 1 1 155 . 20 1 1 A 19 19 GLY HA2 H 19 4.219 3.923 0.296 1 1 156 . 20 1 1 A 19 19 GLY HA3 H 19 3.757 3.930 -0.173 1 1 157 . 20 1 1 A 19 19 GLY C C 19 173.852 174.781 -0.929 1 1 158 . 20 1 1 A 19 19 GLY CA C 19 46.048 45.159 0.889 1 1 159 . 20 1 1 A 19 19 GLY N N 19 113.172 110.061 3.111 1 1 160 . 20 1 1 A 20 20 MET H H 20 7.952 7.639 0.313 1 1 161 . 20 1 1 A 20 20 MET HA H 20 3.997 4.315 -0.318 1 1 169 . 20 1 1 A 20 20 MET C C 20 173.729 176.323 -2.594 1 1 170 . 20 1 1 A 20 20 MET CA C 20 57.756 56.171 1.585 1 1 171 . 20 1 1 A 20 20 MET CB C 20 33.879 33.187 0.692 1 1 174 . 20 1 1 A 20 20 MET N N 20 122.129 121.138 0.991 1 1 175 . 20 1 1 A 21 21 ASN H H 21 7.960 8.615 -0.655 1 1 176 . 20 1 1 A 21 21 ASN HA H 21 5.375 5.785 -0.410 1 1 181 . 20 1 1 A 21 21 ASN C C 21 173.981 174.167 -0.186 1 1 182 . 20 1 1 A 21 21 ASN CA C 21 52.027 51.870 0.157 1 1 183 . 20 1 1 A 21 21 ASN CB C 21 41.679 40.411 1.268 1 1 184 . 20 1 1 A 21 21 ASN N N 21 119.653 121.397 -1.744 1 1 186 . 20 1 1 A 22 22 PHE H H 22 8.724 8.744 -0.020 1 1 187 . 20 1 1 A 22 22 PHE HA H 22 4.722 4.927 -0.205 1 1 195 . 20 1 1 A 22 22 PHE C C 22 175.430 175.941 -0.511 1 1 196 . 20 1 1 A 22 22 PHE CA C 22 57.156 57.065 0.091 1 1 197 . 20 1 1 A 22 22 PHE CB C 22 43.843 42.431 1.412 1 1 203 . 20 1 1 A 22 22 PHE N N 22 116.386 119.374 -2.988 1 1 204 . 20 1 1 A 23 23 SER HA H 23 4.470 4.284 0.186 1 1 207 . 20 1 1 A 23 23 SER CA C 23 60.762 60.796 -0.034 1 1 208 . 20 1 1 A 23 23 SER CB C 23 63.389 62.880 0.509 1 1 209 . 20 1 1 A 24 24 TRP H H 24 7.303 7.680 -0.377 1 1 210 . 20 1 1 A 24 24 TRP HA H 24 5.114 4.810 0.304 1 1 219 . 20 1 1 A 24 24 TRP CA C 24 54.989 57.517 -2.528 1 1 220 . 20 1 1 A 24 24 TRP CB C 24 32.901 31.015 1.886 1 1 226 . 20 1 1 A 24 24 TRP N N 24 116.709 122.638 -5.929 1 1 228 . 20 1 1 A 25 25 SER HA H 25 2.990 2.462 0.528 1 1 231 . 20 1 1 A 25 25 SER CA C 25 61.025 60.612 0.413 1 1 232 . 20 1 1 A 25 25 SER CB C 25 61.769 62.520 -0.751 1 1 233 . 20 1 1 A 26 26 CYS HA H 26 4.272 4.120 0.152 1 1 236 . 20 1 1 A 26 26 CYS CA C 26 60.467 63.357 -2.890 1 1 237 . 20 1 1 A 26 26 CYS CB C 26 26.503 26.407 0.096 1 1 238 . 20 1 1 A 26 26 CYS N N 26 116.694 120.345 -3.651 1 1 239 . 20 1 1 A 27 27 SER HA H 27 4.265 4.087 0.178 1 1 242 . 20 1 1 A 27 27 SER C C 27 176.277 176.097 0.180 1 1 243 . 20 1 1 A 27 27 SER CA C 27 60.808 62.219 -1.411 1 1 244 . 20 1 1 A 27 27 SER CB C 27 62.592 62.674 -0.082 1 1 245 . 20 1 1 A 27 27 SER N N 27 115.000 116.468 -1.468 1 1 246 . 20 1 1 A 28 28 LEU H H 28 6.993 7.900 -0.907 1 1 247 . 20 1 1 A 28 28 LEU HA H 28 3.081 2.551 0.530 1 1 257 . 20 1 1 A 28 28 LEU C C 28 177.247 178.595 -1.348 1 1 258 . 20 1 1 A 28 28 LEU CA C 28 57.825 57.847 -0.022 1 1 259 . 20 1 1 A 28 28 LEU CB C 28 40.078 41.455 -1.377 1 1 263 . 20 1 1 A 28 28 LEU N N 28 124.148 122.369 1.779 1 1 264 . 20 1 1 A 29 29 PHE H H 29 8.208 8.195 0.013 1 1 265 . 20 1 1 A 29 29 PHE HA H 29 4.178 3.945 0.233 1 1 273 . 20 1 1 A 29 29 PHE C C 29 178.527 177.771 0.756 1 1 274 . 20 1 1 A 29 29 PHE CA C 29 61.303 61.880 -0.577 1 1 275 . 20 1 1 A 29 29 PHE CB C 29 37.971 39.191 -1.220 1 1 281 . 20 1 1 A 29 29 PHE N N 29 118.075 119.441 -1.366 1 1 282 . 20 1 1 A 30 30 LYS H H 30 7.660 7.929 -0.269 1 1 283 . 20 1 1 A 30 30 LYS HA H 30 3.959 4.126 -0.167 1 1 292 . 20 1 1 A 30 30 LYS C C 30 179.126 178.867 0.259 1 1 293 . 20 1 1 A 30 30 LYS CA C 30 59.586 59.465 0.121 1 1 294 . 20 1 1 A 30 30 LYS CB C 30 32.503 31.965 0.538 1 1 298 . 20 1 1 A 30 30 LYS N N 30 118.194 118.047 0.147 1 1 299 . 20 1 1 A 31 31 HIS H H 31 7.637 8.374 -0.737 1 1 300 . 20 1 1 A 31 31 HIS HA H 31 4.205 4.257 -0.052 1 1 305 . 20 1 1 A 31 31 HIS C C 31 177.985 176.946 1.039 1 1 306 . 20 1 1 A 31 31 HIS CA C 31 59.463 59.133 0.330 1 1 307 . 20 1 1 A 31 31 HIS CB C 31 28.534 29.946 -1.412 1 1 310 . 20 1 1 A 31 31 HIS N N 31 119.604 119.744 -0.140 1 1 311 . 20 1 1 A 32 32 LEU H H 32 8.690 8.708 -0.018 1 1 312 . 20 1 1 A 32 32 LEU HA H 32 3.861 3.974 -0.113 1 1 322 . 20 1 1 A 32 32 LEU C C 32 179.506 179.290 0.216 1 1 323 . 20 1 1 A 32 32 LEU CA C 32 58.447 58.128 0.319 1 1 324 . 20 1 1 A 32 32 LEU CB C 32 41.560 41.153 0.407 1 1 328 . 20 1 1 A 32 32 LEU N N 32 121.283 119.647 1.636 1 1 329 . 20 1 1 A 33 33 ARG H H 33 7.178 7.908 -0.730 1 1 330 . 20 1 1 A 33 33 ARG HA H 33 4.071 4.045 0.026 1 1 337 . 20 1 1 A 33 33 ARG C C 33 178.314 177.592 0.722 1 1 338 . 20 1 1 A 33 33 ARG CA C 33 58.320 58.606 -0.286 1 1 339 . 20 1 1 A 33 33 ARG CB C 33 29.531 29.918 -0.387 1 1 342 . 20 1 1 A 33 33 ARG N N 33 117.400 117.840 -0.440 1 1 343 . 20 1 1 A 34 34 SER H H 34 7.837 8.311 -0.474 1 1 344 . 20 1 1 A 34 34 SER HA H 34 4.196 4.173 0.023 1 1 347 . 20 1 1 A 34 34 SER C C 34 174.873 175.185 -0.312 1 1 348 . 20 1 1 A 34 34 SER CA C 34 60.482 60.831 -0.349 1 1 349 . 20 1 1 A 34 34 SER CB C 34 63.140 62.235 0.905 1 1 350 . 20 1 1 A 34 34 SER N N 34 114.440 114.650 -0.210 1 1 351 . 20 1 1 A 35 35 HIS H H 35 7.204 8.075 -0.871 1 1 352 . 20 1 1 A 35 35 HIS HA H 35 4.773 4.514 0.259 1 1 357 . 20 1 1 A 35 35 HIS C C 35 174.959 177.359 -2.400 1 1 358 . 20 1 1 A 35 35 HIS CA C 35 55.192 57.834 -2.642 1 1 359 . 20 1 1 A 35 35 HIS CB C 35 29.005 31.199 -2.194 1 1 362 . 20 1 1 A 35 35 HIS N N 35 118.479 118.870 -0.391 1 1 363 . 20 1 1 A 36 36 GLU H H 36 7.583 8.400 -0.817 1 1 364 . 20 1 1 A 36 36 GLU HA H 36 4.256 4.084 0.172 1 1 369 . 20 1 1 A 36 36 GLU C C 36 176.328 176.018 0.310 1 1 370 . 20 1 1 A 36 36 GLU CA C 36 56.841 58.328 -1.487 1 1 371 . 20 1 1 A 36 36 GLU CB C 36 30.329 28.559 1.770 1 1 373 . 20 1 1 A 36 36 GLU N N 36 120.262 116.736 3.526 1 1 374 . 20 1 1 A 37 37 ARG H H 37 8.387 7.410 0.977 1 1 375 . 20 1 1 A 37 37 ARG HA H 37 4.453 4.902 -0.449 1 1 382 . 20 1 1 A 37 37 ARG C C 37 176.254 174.911 1.343 1 1 383 . 20 1 1 A 37 37 ARG CA C 37 55.900 55.029 0.871 1 1 384 . 20 1 1 A 37 37 ARG CB C 37 30.906 32.654 -1.748 1 1 387 . 20 1 1 A 37 37 ARG N N 37 122.086 121.086 1.000 1 1 388 . 20 1 1 A 38 38 THR H H 38 8.275 8.684 -0.409 1 1 389 . 20 1 1 A 38 38 THR HA H 38 4.328 4.713 -0.385 1 1 394 . 20 1 1 A 38 38 THR C C 38 174.006 173.230 0.776 1 1 395 . 20 1 1 A 38 38 THR CA C 38 61.731 61.454 0.277 1 1 396 . 20 1 1 A 38 38 THR CB C 38 69.937 71.568 -1.631 1 1 398 . 20 1 1 A 38 38 THR N N 38 115.922 119.399 -3.477 1 1 399 . 20 1 1 A 39 39 ASP H H 39 8.437 8.681 -0.244 1 1 400 . 20 1 1 A 39 39 ASP HA H 39 4.900 4.917 -0.017 1 1 403 . 20 1 1 A 39 39 ASP C C 39 174.780 176.319 -1.539 1 1 404 . 20 1 1 A 39 39 ASP CA C 39 52.198 52.335 -0.137 1 1 405 . 20 1 1 A 39 39 ASP CB C 39 41.197 40.421 0.776 1 1 406 . 20 1 1 A 39 39 ASP N N 39 124.343 124.405 -0.062 1 1 407 . 20 1 1 A 40 40 PRO HA H 40 4.467 4.508 -0.041 1 1 414 . 20 1 1 A 40 40 PRO CA C 40 63.632 64.102 -0.470 1 1 415 . 20 1 1 A 40 40 PRO CB C 40 32.113 31.638 0.475 1 1 418 . 20 1 1 A 41 41 SER H H 41 8.481 7.692 0.789 1 1 419 . 20 1 1 A 41 41 SER HA H 41 4.463 4.156 0.307 1 1 422 . 20 1 1 A 41 41 SER CA C 41 58.677 60.113 -1.436 1 1 423 . 20 1 1 A 41 41 SER CB C 41 63.874 62.872 1.002 1 1 424 . 20 1 1 A 41 41 SER N N 41 115.801 113.914 1.887 1 1 425 . 20 1 1 A 42 42 GLY H H 42 8.086 8.658 -0.572 1 1 426 . 20 1 1 A 42 42 GLY HA2 H 42 4.173 4.212 -0.039 1 1 427 . 20 1 1 A 42 42 GLY HA3 H 42 4.065 4.213 -0.148 1 1 428 . 20 1 1 A 42 42 GLY CA C 42 44.752 44.700 0.052 1 1 429 . 20 1 1 A 42 42 GLY N N 42 110.426 113.865 -3.439 1 1 430 . 20 1 1 A 43 43 PRO HA H 43 4.488 4.447 0.041 1 1 437 . 20 1 1 A 43 43 PRO CA C 43 63.241 64.885 -1.644 1 1 438 . 20 1 1 A 43 43 PRO CB C 43 32.157 32.054 0.103 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 32 1.516 1 2 1 1 1 "RMS(OBS, PRED)" CA 39 1.209 1 3 1 1 1 "RMS(OBS, PRED)" CB 35 1.236 1 4 1 1 1 "RMS(OBS, PRED)" H 30 0.469 1 5 1 1 1 "RMS(OBS, PRED)" HA 44 0.308 1 6 1 1 1 "RMS(OBS, PRED)" N 34 2.874 1 7 1 2 1 "RMS(OBS, PRED)" C 32 1.216 1 8 1 2 1 "RMS(OBS, PRED)" CA 39 1.281 1 9 1 2 1 "RMS(OBS, PRED)" CB 35 1.272 1 10 1 2 1 "RMS(OBS, PRED)" H 30 0.471 1 11 1 2 1 "RMS(OBS, PRED)" HA 44 0.255 1 12 1 2 1 "RMS(OBS, PRED)" N 34 3.048 1 13 1 3 1 "RMS(OBS, PRED)" C 32 1.150 1 14 1 3 1 "RMS(OBS, PRED)" CA 39 1.229 1 15 1 3 1 "RMS(OBS, PRED)" CB 35 1.226 1 16 1 3 1 "RMS(OBS, PRED)" H 30 0.471 1 17 1 3 1 "RMS(OBS, PRED)" HA 44 0.259 1 18 1 3 1 "RMS(OBS, PRED)" N 34 3.082 1 19 1 4 1 "RMS(OBS, PRED)" C 32 1.227 1 20 1 4 1 "RMS(OBS, PRED)" CA 39 1.240 1 21 1 4 1 "RMS(OBS, PRED)" CB 35 1.302 1 22 1 4 1 "RMS(OBS, PRED)" H 30 0.553 1 23 1 4 1 "RMS(OBS, PRED)" HA 44 0.319 1 24 1 4 1 "RMS(OBS, PRED)" N 34 3.173 1 25 1 5 1 "RMS(OBS, PRED)" C 32 1.494 1 26 1 5 1 "RMS(OBS, PRED)" CA 39 1.099 1 27 1 5 1 "RMS(OBS, PRED)" CB 35 1.238 1 28 1 5 1 "RMS(OBS, PRED)" H 30 0.509 1 29 1 5 1 "RMS(OBS, PRED)" HA 44 0.278 1 30 1 5 1 "RMS(OBS, PRED)" N 34 2.569 1 31 1 6 1 "RMS(OBS, PRED)" C 32 1.254 1 32 1 6 1 "RMS(OBS, PRED)" CA 39 1.237 1 33 1 6 1 "RMS(OBS, PRED)" CB 35 1.441 1 34 1 6 1 "RMS(OBS, PRED)" H 30 0.488 1 35 1 6 1 "RMS(OBS, PRED)" HA 44 0.274 1 36 1 6 1 "RMS(OBS, PRED)" N 34 2.466 1 37 1 7 1 "RMS(OBS, PRED)" C 32 1.136 1 38 1 7 1 "RMS(OBS, PRED)" CA 39 1.200 1 39 1 7 1 "RMS(OBS, PRED)" CB 35 1.197 1 40 1 7 1 "RMS(OBS, PRED)" H 30 0.506 1 41 1 7 1 "RMS(OBS, PRED)" HA 44 0.256 1 42 1 7 1 "RMS(OBS, PRED)" N 34 2.987 1 43 1 8 1 "RMS(OBS, PRED)" C 32 1.348 1 44 1 8 1 "RMS(OBS, PRED)" CA 39 1.442 1 45 1 8 1 "RMS(OBS, PRED)" CB 35 1.302 1 46 1 8 1 "RMS(OBS, PRED)" H 30 0.471 1 47 1 8 1 "RMS(OBS, PRED)" HA 44 0.313 1 48 1 8 1 "RMS(OBS, PRED)" N 34 2.511 1 49 1 9 1 "RMS(OBS, PRED)" C 32 1.204 1 50 1 9 1 "RMS(OBS, PRED)" CA 39 1.373 1 51 1 9 1 "RMS(OBS, PRED)" CB 35 1.284 1 52 1 9 1 "RMS(OBS, PRED)" H 30 0.511 1 53 1 9 1 "RMS(OBS, PRED)" HA 44 0.245 1 54 1 9 1 "RMS(OBS, PRED)" N 34 3.149 1 55 1 10 1 "RMS(OBS, PRED)" C 32 1.317 1 56 1 10 1 "RMS(OBS, PRED)" CA 39 1.239 1 57 1 10 1 "RMS(OBS, PRED)" CB 35 1.319 1 58 1 10 1 "RMS(OBS, PRED)" H 30 0.536 1 59 1 10 1 "RMS(OBS, PRED)" HA 44 0.255 1 60 1 10 1 "RMS(OBS, PRED)" N 34 2.970 1 61 1 11 1 "RMS(OBS, PRED)" C 32 1.431 1 62 1 11 1 "RMS(OBS, PRED)" CA 39 1.231 1 63 1 11 1 "RMS(OBS, PRED)" CB 35 1.446 1 64 1 11 1 "RMS(OBS, PRED)" H 30 0.496 1 65 1 11 1 "RMS(OBS, PRED)" HA 44 0.308 1 66 1 11 1 "RMS(OBS, PRED)" N 34 2.921 1 67 1 12 1 "RMS(OBS, PRED)" C 32 1.409 1 68 1 12 1 "RMS(OBS, PRED)" CA 39 1.660 1 69 1 12 1 "RMS(OBS, PRED)" CB 35 1.333 1 70 1 12 1 "RMS(OBS, PRED)" H 30 0.483 1 71 1 12 1 "RMS(OBS, PRED)" HA 44 0.361 1 72 1 12 1 "RMS(OBS, PRED)" N 34 2.799 1 73 1 13 1 "RMS(OBS, PRED)" C 32 1.372 1 74 1 13 1 "RMS(OBS, PRED)" CA 39 1.253 1 75 1 13 1 "RMS(OBS, PRED)" CB 35 1.172 1 76 1 13 1 "RMS(OBS, PRED)" H 30 0.474 1 77 1 13 1 "RMS(OBS, PRED)" HA 44 0.252 1 78 1 13 1 "RMS(OBS, PRED)" N 34 2.846 1 79 1 14 1 "RMS(OBS, PRED)" C 32 1.574 1 80 1 14 1 "RMS(OBS, PRED)" CA 39 1.203 1 81 1 14 1 "RMS(OBS, PRED)" CB 35 1.495 1 82 1 14 1 "RMS(OBS, PRED)" H 30 0.536 1 83 1 14 1 "RMS(OBS, PRED)" HA 44 0.335 1 84 1 14 1 "RMS(OBS, PRED)" N 34 3.222 1 85 1 15 1 "RMS(OBS, PRED)" C 32 1.391 1 86 1 15 1 "RMS(OBS, PRED)" CA 39 1.617 1 87 1 15 1 "RMS(OBS, PRED)" CB 35 1.357 1 88 1 15 1 "RMS(OBS, PRED)" H 30 0.491 1 89 1 15 1 "RMS(OBS, PRED)" HA 44 0.319 1 90 1 15 1 "RMS(OBS, PRED)" N 34 3.002 1 91 1 16 1 "RMS(OBS, PRED)" C 32 1.246 1 92 1 16 1 "RMS(OBS, PRED)" CA 39 1.277 1 93 1 16 1 "RMS(OBS, PRED)" CB 35 1.290 1 94 1 16 1 "RMS(OBS, PRED)" H 30 0.521 1 95 1 16 1 "RMS(OBS, PRED)" HA 44 0.280 1 96 1 16 1 "RMS(OBS, PRED)" N 34 2.796 1 97 1 17 1 "RMS(OBS, PRED)" C 32 1.610 1 98 1 17 1 "RMS(OBS, PRED)" CA 39 1.239 1 99 1 17 1 "RMS(OBS, PRED)" CB 35 1.246 1 100 1 17 1 "RMS(OBS, PRED)" H 30 0.480 1 101 1 17 1 "RMS(OBS, PRED)" HA 44 0.300 1 102 1 17 1 "RMS(OBS, PRED)" N 34 2.529 1 103 1 18 1 "RMS(OBS, PRED)" C 32 1.321 1 104 1 18 1 "RMS(OBS, PRED)" CA 39 1.760 1 105 1 18 1 "RMS(OBS, PRED)" CB 35 1.156 1 106 1 18 1 "RMS(OBS, PRED)" H 30 0.524 1 107 1 18 1 "RMS(OBS, PRED)" HA 44 0.272 1 108 1 18 1 "RMS(OBS, PRED)" N 34 3.390 1 109 1 19 1 "RMS(OBS, PRED)" C 32 1.154 1 110 1 19 1 "RMS(OBS, PRED)" CA 39 1.321 1 111 1 19 1 "RMS(OBS, PRED)" CB 35 1.102 1 112 1 19 1 "RMS(OBS, PRED)" H 30 0.483 1 113 1 19 1 "RMS(OBS, PRED)" HA 44 0.225 1 114 1 19 1 "RMS(OBS, PRED)" N 34 2.538 1 115 1 20 1 "RMS(OBS, PRED)" C 32 1.381 1 116 1 20 1 "RMS(OBS, PRED)" CA 39 1.157 1 117 1 20 1 "RMS(OBS, PRED)" CB 35 1.338 1 118 1 20 1 "RMS(OBS, PRED)" H 30 0.567 1 119 1 20 1 "RMS(OBS, PRED)" HA 44 0.315 1 120 1 20 1 "RMS(OBS, PRED)" N 34 3.139 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 4 4 GLY HA2 H 4 4.452 4.078 0.374 2 1 2 . 1 1 A 4 4 GLY HA3 H 4 4.452 4.079 0.373 2 1 3 . 1 1 A 4 4 GLY C C 4 177.372 173.535 3.837 2 1 4 . 1 1 A 5 5 SER H H 5 8.514 8.562 -0.048 2 1 5 . 1 1 A 5 5 SER HA H 5 4.517 4.710 -0.193 2 1 8 . 1 1 A 5 5 SER C C 5 174.470 173.905 0.565 2 1 9 . 1 1 A 5 5 SER CA C 5 58.246 58.614 -0.368 2 1 10 . 1 1 A 5 5 SER CB C 5 63.845 64.135 -0.290 2 1 11 . 1 1 A 5 5 SER N N 5 116.459 118.521 -2.062 2 1 12 . 1 1 A 6 6 SER C C 6 173.892 173.944 -0.052 2 1 13 . 1 1 A 6 6 SER CA C 6 58.410 57.775 0.635 2 1 14 . 1 1 A 6 6 SER CB C 6 64.048 64.442 -0.393 2 1 15 . 1 1 A 6 6 SER N N 6 118.058 117.834 0.224 2 1 16 . 1 1 A 7 7 GLY HA2 H 7 4.032 4.113 -0.081 2 1 17 . 1 1 A 7 7 GLY HA3 H 7 4.032 4.115 -0.083 2 1 18 . 1 1 A 7 7 GLY C C 7 174.503 173.234 1.269 2 1 19 . 1 1 A 7 7 GLY CA C 7 45.426 45.289 0.137 2 1 20 . 1 1 A 7 7 GLY N N 7 117.426 111.369 6.057 2 1 21 . 1 1 A 8 8 THR H H 8 8.134 8.422 -0.288 2 1 22 . 1 1 A 8 8 THR HA H 8 4.361 4.563 -0.202 2 1 27 . 1 1 A 8 8 THR C C 8 175.191 174.054 1.137 2 1 28 . 1 1 A 8 8 THR CA C 8 61.847 61.907 -0.060 2 1 29 . 1 1 A 8 8 THR CB C 8 69.840 70.181 -0.341 2 1 31 . 1 1 A 8 8 THR N N 8 112.760 115.850 -3.090 2 1 32 . 1 1 A 9 9 GLY H H 9 8.413 8.215 0.198 2 1 33 . 1 1 A 9 9 GLY HA2 H 9 3.947 4.055 -0.108 2 1 34 . 1 1 A 9 9 GLY HA3 H 9 3.900 4.059 -0.159 2 1 35 . 1 1 A 9 9 GLY C C 9 174.023 172.793 1.230 2 1 36 . 1 1 A 9 9 GLY CA C 9 45.259 45.430 -0.171 2 1 37 . 1 1 A 9 9 GLY N N 9 110.903 111.495 -0.592 2 1 38 . 1 1 A 10 10 GLU H H 10 8.200 8.468 -0.268 2 1 39 . 1 1 A 10 10 GLU HA H 10 4.168 4.755 -0.587 2 1 44 . 1 1 A 10 10 GLU C C 10 176.430 175.380 1.050 2 1 45 . 1 1 A 10 10 GLU CA C 10 56.773 55.403 1.370 2 1 46 . 1 1 A 10 10 GLU CB C 10 30.405 31.712 -1.307 2 1 48 . 1 1 A 10 10 GLU N N 10 120.140 120.371 -0.231 2 1 49 . 1 1 A 11 11 LYS H H 11 8.325 8.462 -0.137 2 1 50 . 1 1 A 11 11 LYS HA H 11 4.496 4.845 -0.349 2 1 59 . 1 1 A 11 11 LYS C C 11 174.166 175.845 -1.678 2 1 60 . 1 1 A 11 11 LYS CA C 11 53.920 52.772 1.148 2 1 61 . 1 1 A 11 11 LYS CB C 11 33.107 34.301 -1.194 2 1 65 . 1 1 A 11 11 LYS N N 11 122.011 121.971 0.040 2 1 66 . 1 1 A 12 12 PRO HA H 12 4.242 4.274 -0.032 2 1 73 . 1 1 A 12 12 PRO C C 12 176.359 176.204 0.155 2 1 74 . 1 1 A 12 12 PRO CA C 12 63.623 64.838 -1.215 2 1 75 . 1 1 A 12 12 PRO CB C 12 32.138 31.733 0.404 2 1 78 . 1 1 A 13 13 PHE H H 13 7.984 7.787 0.197 2 1 79 . 1 1 A 13 13 PHE HA H 13 4.695 5.048 -0.353 2 1 87 . 1 1 A 13 13 PHE C C 13 174.248 174.804 -0.556 2 1 88 . 1 1 A 13 13 PHE CA C 13 56.993 57.348 -0.355 2 1 89 . 1 1 A 13 13 PHE CB C 13 39.591 41.598 -2.007 2 1 95 . 1 1 A 13 13 PHE N N 13 118.237 117.973 0.264 2 1 96 . 1 1 A 14 14 GLN H H 14 8.591 8.834 -0.243 2 1 97 . 1 1 A 14 14 GLN HA H 14 5.175 4.980 0.195 2 1 104 . 1 1 A 14 14 GLN C C 14 174.744 174.045 0.699 2 1 105 . 1 1 A 14 14 GLN CA C 14 54.668 54.907 -0.239 2 1 106 . 1 1 A 14 14 GLN CB C 14 32.675 33.149 -0.474 2 1 108 . 1 1 A 14 14 GLN N N 14 123.552 120.496 3.056 2 1 110 . 1 1 A 15 15 CYS H H 15 9.221 9.201 0.020 2 1 111 . 1 1 A 15 15 CYS HA H 15 4.576 4.683 -0.107 2 1 114 . 1 1 A 15 15 CYS C C 15 177.443 175.835 1.608 2 1 115 . 1 1 A 15 15 CYS CA C 15 59.565 58.428 1.137 2 1 116 . 1 1 A 15 15 CYS CB C 15 29.940 28.957 0.983 2 1 117 . 1 1 A 15 15 CYS N N 15 128.096 123.388 4.708 2 1 118 . 1 1 A 16 16 LYS H H 16 9.439 9.053 0.386 2 1 119 . 1 1 A 16 16 LYS HA H 16 4.204 4.348 -0.144 2 1 128 . 1 1 A 16 16 LYS C C 16 176.882 176.955 -0.073 2 1 129 . 1 1 A 16 16 LYS CA C 16 58.170 57.511 0.659 2 1 130 . 1 1 A 16 16 LYS CB C 16 32.153 32.184 -0.031 2 1 134 . 1 1 A 16 16 LYS N N 16 132.264 128.216 4.048 2 1 135 . 1 1 A 17 17 GLU H H 17 8.836 7.891 0.945 2 1 136 . 1 1 A 17 17 GLU HA H 17 4.201 4.249 -0.048 2 1 141 . 1 1 A 17 17 GLU C C 17 177.524 178.095 -0.571 2 1 142 . 1 1 A 17 17 GLU CA C 17 58.138 57.870 0.268 2 1 143 . 1 1 A 17 17 GLU CB C 17 29.276 30.123 -0.847 2 1 145 . 1 1 A 17 17 GLU N N 17 120.919 117.287 3.632 2 1 146 . 1 1 A 18 18 CYS H H 18 8.312 8.006 0.306 2 1 147 . 1 1 A 18 18 CYS HA H 18 5.162 4.698 0.464 2 1 150 . 1 1 A 18 18 CYS C C 18 176.325 175.930 0.395 2 1 151 . 1 1 A 18 18 CYS CA C 18 58.284 58.995 -0.711 2 1 152 . 1 1 A 18 18 CYS CB C 18 32.594 30.603 1.991 2 1 153 . 1 1 A 18 18 CYS N N 18 115.693 114.403 1.290 2 1 154 . 1 1 A 19 19 GLY H H 19 8.106 8.172 -0.066 2 1 155 . 1 1 A 19 19 GLY HA2 H 19 4.219 3.973 0.246 2 1 156 . 1 1 A 19 19 GLY HA3 H 19 3.757 3.980 -0.223 2 1 157 . 1 1 A 19 19 GLY C C 19 173.852 174.635 -0.783 2 1 158 . 1 1 A 19 19 GLY CA C 19 46.048 45.101 0.947 2 1 159 . 1 1 A 19 19 GLY N N 19 113.172 109.917 3.255 2 1 160 . 1 1 A 20 20 MET H H 20 7.952 7.670 0.282 2 1 161 . 1 1 A 20 20 MET HA H 20 3.997 4.304 -0.307 2 1 169 . 1 1 A 20 20 MET C C 20 173.729 176.294 -2.565 2 1 170 . 1 1 A 20 20 MET CA C 20 57.756 56.195 1.561 2 1 171 . 1 1 A 20 20 MET CB C 20 33.879 33.126 0.753 2 1 174 . 1 1 A 20 20 MET N N 20 122.129 121.214 0.915 2 1 175 . 1 1 A 21 21 ASN H H 21 7.960 8.528 -0.568 2 1 176 . 1 1 A 21 21 ASN HA H 21 5.375 5.585 -0.210 2 1 181 . 1 1 A 21 21 ASN C C 21 173.981 174.164 -0.183 2 1 182 . 1 1 A 21 21 ASN CA C 21 52.027 51.810 0.217 2 1 183 . 1 1 A 21 21 ASN CB C 21 41.679 40.363 1.316 2 1 184 . 1 1 A 21 21 ASN N N 21 119.653 121.760 -2.107 2 1 186 . 1 1 A 22 22 PHE H H 22 8.724 8.643 0.081 2 1 187 . 1 1 A 22 22 PHE HA H 22 4.722 4.968 -0.246 2 1 195 . 1 1 A 22 22 PHE C C 22 175.430 175.661 -0.231 2 1 196 . 1 1 A 22 22 PHE CA C 22 57.156 56.989 0.167 2 1 197 . 1 1 A 22 22 PHE CB C 22 43.843 42.809 1.034 2 1 203 . 1 1 A 22 22 PHE N N 22 116.386 119.237 -2.851 2 1 204 . 1 1 A 23 23 SER HA H 23 4.470 4.357 0.113 2 1 207 . 1 1 A 23 23 SER CA C 23 60.762 60.686 0.076 2 1 208 . 1 1 A 23 23 SER CB C 23 63.389 62.796 0.593 2 1 209 . 1 1 A 24 24 TRP H H 24 7.303 7.743 -0.440 2 1 210 . 1 1 A 24 24 TRP HA H 24 5.114 4.875 0.239 2 1 219 . 1 1 A 24 24 TRP CA C 24 54.989 57.071 -2.082 2 1 220 . 1 1 A 24 24 TRP CB C 24 32.901 31.524 1.377 2 1 226 . 1 1 A 24 24 TRP N N 24 116.709 121.643 -4.934 2 1 228 . 1 1 A 25 25 SER HA H 25 2.990 2.895 0.095 2 1 231 . 1 1 A 25 25 SER CA C 25 61.025 59.921 1.104 2 1 232 . 1 1 A 25 25 SER CB C 25 61.769 63.069 -1.300 2 1 233 . 1 1 A 26 26 CYS HA H 26 4.272 4.115 0.157 2 1 236 . 1 1 A 26 26 CYS CA C 26 60.467 62.746 -2.279 2 1 237 . 1 1 A 26 26 CYS CB C 26 26.503 27.059 -0.556 2 1 238 . 1 1 A 26 26 CYS N N 26 116.694 119.923 -3.229 2 1 239 . 1 1 A 27 27 SER HA H 27 4.265 4.087 0.178 2 1 242 . 1 1 A 27 27 SER C C 27 176.277 176.248 0.029 2 1 243 . 1 1 A 27 27 SER CA C 27 60.808 62.179 -1.371 2 1 244 . 1 1 A 27 27 SER CB C 27 62.592 62.778 -0.186 2 1 245 . 1 1 A 27 27 SER N N 27 115.000 116.596 -1.596 2 1 246 . 1 1 A 28 28 LEU H H 28 6.993 7.871 -0.878 2 1 247 . 1 1 A 28 28 LEU HA H 28 3.081 2.466 0.615 2 1 257 . 1 1 A 28 28 LEU C C 28 177.247 178.632 -1.385 2 1 258 . 1 1 A 28 28 LEU CA C 28 57.825 57.707 0.118 2 1 259 . 1 1 A 28 28 LEU CB C 28 40.078 41.413 -1.335 2 1 263 . 1 1 A 28 28 LEU N N 28 124.148 122.237 1.911 2 1 264 . 1 1 A 29 29 PHE H H 29 8.208 8.299 -0.091 2 1 265 . 1 1 A 29 29 PHE HA H 29 4.178 3.928 0.250 2 1 273 . 1 1 A 29 29 PHE C C 29 178.527 177.783 0.744 2 1 274 . 1 1 A 29 29 PHE CA C 29 61.303 61.825 -0.522 2 1 275 . 1 1 A 29 29 PHE CB C 29 37.971 39.153 -1.182 2 1 281 . 1 1 A 29 29 PHE N N 29 118.075 119.362 -1.287 2 1 282 . 1 1 A 30 30 LYS H H 30 7.660 7.966 -0.306 2 1 283 . 1 1 A 30 30 LYS HA H 30 3.959 4.078 -0.119 2 1 292 . 1 1 A 30 30 LYS C C 30 179.126 178.679 0.447 2 1 293 . 1 1 A 30 30 LYS CA C 30 59.586 59.330 0.256 2 1 294 . 1 1 A 30 30 LYS CB C 30 32.503 32.027 0.476 2 1 298 . 1 1 A 30 30 LYS N N 30 118.194 118.148 0.046 2 1 299 . 1 1 A 31 31 HIS H H 31 7.637 8.297 -0.660 2 1 300 . 1 1 A 31 31 HIS HA H 31 4.205 4.260 -0.055 2 1 305 . 1 1 A 31 31 HIS C C 31 177.985 176.962 1.023 2 1 306 . 1 1 A 31 31 HIS CA C 31 59.463 59.093 0.370 2 1 307 . 1 1 A 31 31 HIS CB C 31 28.534 30.010 -1.476 2 1 310 . 1 1 A 31 31 HIS N N 31 119.604 119.694 -0.090 2 1 311 . 1 1 A 32 32 LEU H H 32 8.690 8.670 0.020 2 1 312 . 1 1 A 32 32 LEU HA H 32 3.861 4.001 -0.140 2 1 322 . 1 1 A 32 32 LEU C C 32 179.506 179.316 0.190 2 1 323 . 1 1 A 32 32 LEU CA C 32 58.447 58.044 0.403 2 1 324 . 1 1 A 32 32 LEU CB C 32 41.560 41.276 0.284 2 1 328 . 1 1 A 32 32 LEU N N 32 121.283 119.420 1.863 2 1 329 . 1 1 A 33 33 ARG H H 33 7.178 7.955 -0.777 2 1 330 . 1 1 A 33 33 ARG HA H 33 4.071 3.998 0.072 2 1 337 . 1 1 A 33 33 ARG C C 33 178.314 177.982 0.332 2 1 338 . 1 1 A 33 33 ARG CA C 33 58.320 58.512 -0.192 2 1 339 . 1 1 A 33 33 ARG CB C 33 29.531 29.810 -0.279 2 1 342 . 1 1 A 33 33 ARG N N 33 117.400 117.912 -0.512 2 1 343 . 1 1 A 34 34 SER H H 34 7.837 8.128 -0.291 2 1 344 . 1 1 A 34 34 SER HA H 34 4.196 4.105 0.091 2 1 347 . 1 1 A 34 34 SER C C 34 174.873 175.307 -0.434 2 1 348 . 1 1 A 34 34 SER CA C 34 60.482 60.811 -0.329 2 1 349 . 1 1 A 34 34 SER CB C 34 63.140 62.477 0.663 2 1 350 . 1 1 A 34 34 SER N N 34 114.440 115.427 -0.987 2 1 351 . 1 1 A 35 35 HIS H H 35 7.204 8.002 -0.798 2 1 352 . 1 1 A 35 35 HIS HA H 35 4.773 4.568 0.205 2 1 357 . 1 1 A 35 35 HIS C C 35 174.959 177.408 -2.449 2 1 358 . 1 1 A 35 35 HIS CA C 35 55.192 57.696 -2.504 2 1 359 . 1 1 A 35 35 HIS CB C 35 29.005 31.278 -2.273 2 1 362 . 1 1 A 35 35 HIS N N 35 118.479 117.734 0.745 2 1 363 . 1 1 A 36 36 GLU H H 36 7.583 8.341 -0.758 2 1 364 . 1 1 A 36 36 GLU HA H 36 4.256 3.997 0.259 2 1 369 . 1 1 A 36 36 GLU C C 36 176.328 177.249 -0.921 2 1 370 . 1 1 A 36 36 GLU CA C 36 56.841 58.822 -1.981 2 1 371 . 1 1 A 36 36 GLU CB C 36 30.329 28.974 1.355 2 1 373 . 1 1 A 36 36 GLU N N 36 120.262 117.469 2.793 2 1 374 . 1 1 A 37 37 ARG H H 37 8.387 7.706 0.681 2 1 375 . 1 1 A 37 37 ARG HA H 37 4.453 4.523 -0.070 2 1 382 . 1 1 A 37 37 ARG C C 37 176.254 175.572 0.682 2 1 383 . 1 1 A 37 37 ARG CA C 37 55.900 56.459 -0.559 2 1 384 . 1 1 A 37 37 ARG CB C 37 30.906 31.593 -0.687 2 1 387 . 1 1 A 37 37 ARG N N 37 122.086 119.698 2.388 2 1 388 . 1 1 A 38 38 THR H H 38 8.275 8.299 -0.024 2 1 389 . 1 1 A 38 38 THR HA H 38 4.328 4.600 -0.272 2 1 394 . 1 1 A 38 38 THR C C 38 174.006 173.600 0.407 2 1 395 . 1 1 A 38 38 THR CA C 38 61.731 62.199 -0.468 2 1 396 . 1 1 A 38 38 THR CB C 38 69.937 70.918 -0.981 2 1 398 . 1 1 A 38 38 THR N N 38 115.922 117.032 -1.110 2 1 399 . 1 1 A 39 39 ASP H H 39 8.437 8.722 -0.285 2 1 400 . 1 1 A 39 39 ASP HA H 39 4.900 4.950 -0.050 2 1 403 . 1 1 A 39 39 ASP C C 39 174.780 175.111 -0.331 2 1 404 . 1 1 A 39 39 ASP CA C 39 52.198 52.678 -0.480 2 1 405 . 1 1 A 39 39 ASP CB C 39 41.197 41.231 -0.034 2 1 406 . 1 1 A 39 39 ASP N N 39 124.343 125.614 -1.271 2 1 407 . 1 1 A 40 40 PRO HA H 40 4.467 4.595 -0.128 2 1 414 . 1 1 A 40 40 PRO CA C 40 63.632 62.977 0.655 2 1 415 . 1 1 A 40 40 PRO CB C 40 32.113 31.869 0.244 2 1 418 . 1 1 A 41 41 SER H H 41 8.481 8.260 0.221 2 1 419 . 1 1 A 41 41 SER HA H 41 4.463 4.703 -0.240 2 1 422 . 1 1 A 41 41 SER CA C 41 58.677 58.101 0.576 2 1 423 . 1 1 A 41 41 SER CB C 41 63.874 64.700 -0.826 2 1 424 . 1 1 A 41 41 SER N N 41 115.801 115.611 0.190 2 1 425 . 1 1 A 42 42 GLY H H 42 8.086 8.363 -0.277 2 1 426 . 1 1 A 42 42 GLY HA2 H 42 4.173 4.115 0.058 2 1 427 . 1 1 A 42 42 GLY HA3 H 42 4.065 4.117 -0.052 2 1 428 . 1 1 A 42 42 GLY CA C 42 44.752 44.563 0.189 2 1 429 . 1 1 A 42 42 GLY N N 42 110.426 110.697 -0.271 2 1 430 . 1 1 A 43 43 PRO HA H 43 4.488 4.611 -0.123 2 1 437 . 1 1 A 43 43 PRO CA C 43 63.241 62.928 0.313 2 1 438 . 1 1 A 43 43 PRO CB C 43 32.157 31.522 0.635 2 stop_ save_