data_15567_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15567 _Entry.PDB_ID 2JXO _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 12 _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 2 2 ILE HA H 144 4.171 4.499 -0.328 1 1 11 . 1 1 1 A 2 2 ILE C C 144 175.446 174.958 0.488 1 1 12 . 1 1 1 A 2 2 ILE CA C 144 60.547 60.464 0.083 1 1 13 . 1 1 1 A 2 2 ILE CB C 144 38.500 39.035 -0.535 1 1 17 . 1 1 1 A 3 3 ASP H H 145 8.584 8.437 0.147 1 1 18 . 1 1 1 A 3 3 ASP HA H 145 4.879 4.797 0.082 1 1 21 . 1 1 1 A 3 3 ASP CA C 145 51.583 52.021 -0.438 1 1 22 . 1 1 1 A 3 3 ASP CB C 145 41.044 42.036 -0.992 1 1 23 . 1 1 1 A 3 3 ASP N N 145 127.098 129.115 -2.017 1 1 24 . 1 1 1 A 4 4 PRO HA H 146 4.290 4.430 -0.140 1 1 31 . 1 1 1 A 4 4 PRO C C 146 176.840 178.178 -1.338 1 1 32 . 1 1 1 A 4 4 PRO CA C 146 63.386 65.706 -2.320 1 1 33 . 1 1 1 A 4 4 PRO CB C 146 31.799 31.708 0.091 1 1 36 . 1 1 1 A 5 5 PHE H H 147 8.323 8.070 0.253 1 1 37 . 1 1 1 A 5 5 PHE HA H 147 4.550 4.287 0.263 1 1 44 . 1 1 1 A 5 5 PHE C C 147 176.081 175.489 0.592 1 1 45 . 1 1 1 A 5 5 PHE CA C 147 58.224 60.712 -2.488 1 1 46 . 1 1 1 A 5 5 PHE CB C 147 38.571 40.625 -2.054 1 1 47 . 1 1 1 A 5 5 PHE N N 147 118.510 118.195 0.315 1 1 48 . 1 1 1 A 6 6 THR H H 148 7.769 7.918 -0.149 1 1 49 . 1 1 1 A 6 6 THR HA H 148 4.195 4.490 -0.295 1 1 54 . 1 1 1 A 6 6 THR C C 148 173.870 172.796 1.074 1 1 55 . 1 1 1 A 6 6 THR CA C 148 62.114 61.030 1.084 1 1 56 . 1 1 1 A 6 6 THR CB C 148 69.325 70.196 -0.871 1 1 58 . 1 1 1 A 6 6 THR N N 148 114.321 106.720 7.601 1 1 59 . 1 1 1 A 7 7 MET H H 149 8.101 8.693 -0.592 1 1 60 . 1 1 1 A 7 7 MET HA H 149 4.438 4.629 -0.191 1 1 65 . 1 1 1 A 7 7 MET C C 149 175.544 176.298 -0.754 1 1 66 . 1 1 1 A 7 7 MET CA C 149 55.218 56.342 -1.124 1 1 67 . 1 1 1 A 7 7 MET CB C 149 32.224 35.262 -3.038 1 1 69 . 1 1 1 A 7 7 MET N N 149 121.779 119.927 1.852 1 1 70 . 1 1 1 A 8 8 LEU H H 150 8.110 7.975 0.135 1 1 71 . 1 1 1 A 8 8 LEU HA H 150 4.467 4.533 -0.066 1 1 81 . 1 1 1 A 8 8 LEU C C 150 175.439 175.841 -0.402 1 1 82 . 1 1 1 A 8 8 LEU CA C 150 54.333 53.994 0.339 1 1 83 . 1 1 1 A 8 8 LEU CB C 150 40.631 43.591 -2.960 1 1 86 . 1 1 1 A 8 8 LEU N N 150 123.383 118.427 4.956 1 1 87 . 1 1 1 A 9 9 ARG H H 151 7.900 7.344 0.556 1 1 88 . 1 1 1 A 9 9 ARG HA H 151 4.769 4.352 0.417 1 1 93 . 1 1 1 A 9 9 ARG CA C 151 52.792 55.500 -2.708 1 1 94 . 1 1 1 A 9 9 ARG CB C 151 30.717 30.176 0.541 1 1 96 . 1 1 1 A 9 9 ARG N N 151 119.907 118.477 1.430 1 1 97 . 1 1 1 A 10 10 PRO HA H 152 4.546 4.632 -0.086 1 1 104 . 1 1 1 A 10 10 PRO C C 152 175.520 175.896 -0.376 1 1 105 . 1 1 1 A 10 10 PRO CA C 152 62.580 62.648 -0.068 1 1 106 . 1 1 1 A 10 10 PRO CB C 152 31.507 32.434 -0.927 1 1 109 . 1 1 1 A 11 11 ARG H H 153 8.987 8.688 0.299 1 1 110 . 1 1 1 A 11 11 ARG HA H 153 4.462 4.918 -0.456 1 1 113 . 1 1 1 A 11 11 ARG C C 153 173.260 174.308 -1.048 1 1 114 . 1 1 1 A 11 11 ARG CA C 153 54.652 54.860 -0.208 1 1 115 . 1 1 1 A 11 11 ARG CB C 153 32.449 33.209 -0.760 1 1 116 . 1 1 1 A 11 11 ARG N N 153 122.642 121.153 1.489 1 1 117 . 1 1 1 A 12 12 LEU H H 154 8.675 8.762 -0.087 1 1 118 . 1 1 1 A 12 12 LEU HA H 154 4.926 4.948 -0.022 1 1 127 . 1 1 1 A 12 12 LEU C C 154 176.282 175.080 1.202 1 1 128 . 1 1 1 A 12 12 LEU CA C 154 53.222 53.836 -0.614 1 1 129 . 1 1 1 A 12 12 LEU CB C 154 42.382 44.466 -2.084 1 1 132 . 1 1 1 A 12 12 LEU N N 154 125.776 124.734 1.042 1 1 133 . 1 1 1 A 13 13 CYS H H 155 9.509 9.403 0.106 1 1 134 . 1 1 1 A 13 13 CYS HA H 155 4.762 5.329 -0.567 1 1 137 . 1 1 1 A 13 13 CYS C C 155 173.211 173.269 -0.058 1 1 138 . 1 1 1 A 13 13 CYS CA C 155 57.646 57.267 0.379 1 1 139 . 1 1 1 A 13 13 CYS CB C 155 28.495 31.036 -2.541 1 1 140 . 1 1 1 A 13 13 CYS N N 155 130.053 125.780 4.273 1 1 141 . 1 1 1 A 14 14 THR H H 156 8.979 9.170 -0.191 1 1 142 . 1 1 1 A 14 14 THR HA H 156 4.927 4.980 -0.053 1 1 147 . 1 1 1 A 14 14 THR C C 156 172.990 173.683 -0.693 1 1 148 . 1 1 1 A 14 14 THR CA C 156 61.216 61.802 -0.586 1 1 149 . 1 1 1 A 14 14 THR CB C 156 69.306 70.805 -1.499 1 1 151 . 1 1 1 A 14 14 THR N N 156 122.811 120.977 1.834 1 1 152 . 1 1 1 A 15 15 MET H H 157 8.889 8.846 0.043 1 1 153 . 1 1 1 A 15 15 MET HA H 157 5.006 5.455 -0.449 1 1 157 . 1 1 1 A 15 15 MET C C 157 176.000 175.168 0.832 1 1 158 . 1 1 1 A 15 15 MET CA C 157 54.167 53.266 0.901 1 1 159 . 1 1 1 A 15 15 MET CB C 157 39.030 34.835 4.195 1 1 160 . 1 1 1 A 15 15 MET N N 157 121.855 124.332 -2.477 1 1 161 . 1 1 1 A 16 16 LYS H H 158 8.614 8.784 -0.170 1 1 162 . 1 1 1 A 16 16 LYS HA H 158 5.262 4.840 0.422 1 1 167 . 1 1 1 A 16 16 LYS C C 158 175.677 176.958 -1.281 1 1 168 . 1 1 1 A 16 16 LYS CA C 158 54.283 55.354 -1.071 1 1 169 . 1 1 1 A 16 16 LYS CB C 158 34.677 33.096 1.581 1 1 172 . 1 1 1 A 16 16 LYS N N 158 122.373 122.865 -0.492 1 1 173 . 1 1 1 A 17 17 LYS H H 159 8.519 9.499 -0.980 1 1 174 . 1 1 1 A 17 17 LYS HA H 159 3.208 3.493 -0.285 1 1 179 . 1 1 1 A 17 17 LYS C C 159 176.799 176.308 0.491 1 1 180 . 1 1 1 A 17 17 LYS CA C 159 58.532 59.404 -0.872 1 1 181 . 1 1 1 A 17 17 LYS CB C 159 33.471 32.229 1.242 1 1 184 . 1 1 1 A 17 17 LYS N N 159 123.623 128.237 -4.614 1 1 185 . 1 1 1 A 18 18 GLY H H 160 7.222 7.738 -0.516 1 1 186 . 1 1 1 A 18 18 GLY HA2 H 160 4.578 3.964 0.614 1 1 187 . 1 1 1 A 18 18 GLY HA3 H 160 3.950 3.970 -0.020 1 1 188 . 1 1 1 A 18 18 GLY CA C 160 44.160 44.905 -0.745 1 1 189 . 1 1 1 A 18 18 GLY N N 160 111.304 106.857 4.447 1 1 190 . 1 1 1 A 19 19 PRO HA H 161 4.307 4.495 -0.188 1 1 197 . 1 1 1 A 19 19 PRO C C 161 177.523 176.878 0.645 1 1 198 . 1 1 1 A 19 19 PRO CA C 161 64.766 63.958 0.808 1 1 199 . 1 1 1 A 19 19 PRO CB C 161 31.509 32.383 -0.874 1 1 202 . 1 1 1 A 20 20 SER H H 162 8.462 7.281 1.181 1 1 203 . 1 1 1 A 20 20 SER HA H 162 4.708 4.572 0.136 1 1 206 . 1 1 1 A 20 20 SER C C 162 173.887 174.490 -0.603 1 1 207 . 1 1 1 A 20 20 SER CA C 162 56.541 58.417 -1.876 1 1 208 . 1 1 1 A 20 20 SER CB C 162 63.086 65.602 -2.516 1 1 209 . 1 1 1 A 20 20 SER N N 162 111.594 112.208 -0.614 1 1 210 . 1 1 1 A 21 21 GLY H H 163 7.730 8.427 -0.697 1 1 211 . 1 1 1 A 21 21 GLY HA2 H 163 4.477 3.595 0.882 1 1 212 . 1 1 1 A 21 21 GLY HA3 H 163 3.242 3.744 -0.502 1 1 213 . 1 1 1 A 21 21 GLY CA C 163 43.895 46.406 -2.511 1 1 214 . 1 1 1 A 21 21 GLY N N 163 108.656 109.709 -1.053 1 1 215 . 1 1 1 A 22 22 TYR H H 164 7.210 8.407 -1.197 1 1 216 . 1 1 1 A 22 22 TYR HA H 164 4.366 4.432 -0.066 1 1 223 . 1 1 1 A 22 22 TYR C C 164 176.198 176.311 -0.113 1 1 224 . 1 1 1 A 22 22 TYR CA C 164 60.930 58.243 2.687 1 1 225 . 1 1 1 A 22 22 TYR CB C 164 40.660 39.645 1.015 1 1 226 . 1 1 1 A 23 23 GLY H H 165 8.600 8.614 -0.014 1 1 227 . 1 1 1 A 23 23 GLY HA2 H 165 4.511 3.909 0.602 1 1 228 . 1 1 1 A 23 23 GLY HA3 H 165 3.886 3.948 -0.062 1 1 229 . 1 1 1 A 23 23 GLY C C 165 172.930 173.855 -0.925 1 1 230 . 1 1 1 A 23 23 GLY CA C 165 45.013 45.985 -0.972 1 1 231 . 1 1 1 A 23 23 GLY N N 165 103.183 108.348 -5.165 1 1 232 . 1 1 1 A 24 24 PHE H H 166 6.855 8.031 -1.176 1 1 233 . 1 1 1 A 24 24 PHE HA H 166 5.629 5.181 0.448 1 1 241 . 1 1 1 A 24 24 PHE C C 166 172.417 173.625 -1.208 1 1 242 . 1 1 1 A 24 24 PHE CA C 166 54.693 55.471 -0.778 1 1 243 . 1 1 1 A 24 24 PHE CB C 166 42.235 41.836 0.399 1 1 244 . 1 1 1 A 24 24 PHE N N 166 111.547 115.764 -4.217 1 1 245 . 1 1 1 A 25 25 ASN H H 167 8.121 9.422 -1.301 1 1 246 . 1 1 1 A 25 25 ASN HA H 167 5.097 5.536 -0.439 1 1 251 . 1 1 1 A 25 25 ASN C C 167 174.068 174.214 -0.146 1 1 252 . 1 1 1 A 25 25 ASN CA C 167 51.521 52.150 -0.629 1 1 253 . 1 1 1 A 25 25 ASN CB C 167 41.155 42.559 -1.404 1 1 254 . 1 1 1 A 25 25 ASN N N 167 117.619 117.329 0.290 1 1 256 . 1 1 1 A 26 26 LEU H H 168 9.287 8.738 0.549 1 1 257 . 1 1 1 A 26 26 LEU HA H 168 5.369 5.149 0.220 1 1 266 . 1 1 1 A 26 26 LEU C C 168 176.491 175.663 0.828 1 1 267 . 1 1 1 A 26 26 LEU CA C 168 54.171 53.902 0.269 1 1 268 . 1 1 1 A 26 26 LEU CB C 168 44.783 45.935 -1.152 1 1 272 . 1 1 1 A 26 26 LEU N N 168 123.933 120.679 3.254 1 1 273 . 1 1 1 A 27 27 HIS H H 169 9.466 8.936 0.530 1 1 274 . 1 1 1 A 27 27 HIS HA H 169 4.922 5.668 -0.746 1 1 276 . 1 1 1 A 27 27 HIS CA C 169 56.019 53.421 2.598 1 1 277 . 1 1 1 A 27 27 HIS CB C 169 33.352 33.589 -0.237 1 1 278 . 1 1 1 A 27 27 HIS N N 169 119.976 120.029 -0.053 1 1 279 . 1 1 1 A 28 28 SER HA H 170 4.703 4.467 0.236 1 1 282 . 1 1 1 A 28 28 SER C C 170 172.451 172.670 -0.219 1 1 283 . 1 1 1 A 28 28 SER CA C 170 57.104 56.089 1.015 1 1 284 . 1 1 1 A 28 28 SER CB C 170 63.937 64.664 -0.727 1 1 285 . 1 1 1 A 29 29 ASP H H 171 9.230 8.524 0.706 1 1 286 . 1 1 1 A 29 29 ASP HA H 171 4.591 4.660 -0.069 1 1 289 . 1 1 1 A 29 29 ASP CA C 171 53.406 55.529 -2.123 1 1 290 . 1 1 1 A 29 29 ASP CB C 171 43.831 42.440 1.391 1 1 291 . 1 1 1 A 29 29 ASP N N 171 123.447 123.785 -0.338 1 1 292 . 1 1 1 A 30 30 LYS HA H 172 4.148 4.328 -0.180 1 1 298 . 1 1 1 A 30 30 LYS C C 172 176.768 176.674 0.094 1 1 299 . 1 1 1 A 30 30 LYS CA C 172 57.755 56.287 1.468 1 1 300 . 1 1 1 A 30 30 LYS CB C 172 31.872 33.602 -1.730 1 1 301 . 1 1 1 A 31 31 SER H H 173 8.803 8.796 0.007 1 1 302 . 1 1 1 A 31 31 SER HA H 173 4.419 4.710 -0.291 1 1 304 . 1 1 1 A 31 31 SER C C 173 173.570 174.601 -1.031 1 1 305 . 1 1 1 A 31 31 SER CA C 173 59.354 57.785 1.569 1 1 306 . 1 1 1 A 31 31 SER CB C 173 64.113 63.901 0.212 1 1 307 . 1 1 1 A 31 31 SER N N 173 115.001 117.037 -2.036 1 1 308 . 1 1 1 A 32 32 LYS H H 174 7.893 7.753 0.140 1 1 309 . 1 1 1 A 32 32 LYS HA H 174 4.804 4.367 0.437 1 1 316 . 1 1 1 A 32 32 LYS CA C 174 53.258 58.043 -4.785 1 1 317 . 1 1 1 A 32 32 LYS CB C 174 33.448 33.587 -0.139 1 1 321 . 1 1 1 A 32 32 LYS N N 174 122.863 119.891 2.972 1 1 322 . 1 1 1 A 33 33 PRO HA H 175 4.592 4.356 0.236 1 1 329 . 1 1 1 A 33 33 PRO C C 175 176.188 177.134 -0.946 1 1 330 . 1 1 1 A 33 33 PRO CA C 175 62.823 65.638 -2.815 1 1 331 . 1 1 1 A 33 33 PRO CB C 175 32.076 31.651 0.425 1 1 334 . 1 1 1 A 34 34 GLY H H 176 8.328 7.287 1.041 1 1 335 . 1 1 1 A 34 34 GLY HA2 H 176 4.179 4.055 0.124 1 1 336 . 1 1 1 A 34 34 GLY HA3 H 176 3.713 4.140 -0.427 1 1 337 . 1 1 1 A 34 34 GLY C C 176 172.298 171.116 1.182 1 1 338 . 1 1 1 A 34 34 GLY CA C 176 43.770 44.551 -0.781 1 1 339 . 1 1 1 A 34 34 GLY N N 176 108.419 104.028 4.391 1 1 340 . 1 1 1 A 35 35 GLN H H 177 8.673 8.459 0.214 1 1 341 . 1 1 1 A 35 35 GLN HA H 177 4.761 4.631 0.130 1 1 347 . 1 1 1 A 35 35 GLN C C 177 173.569 174.578 -1.009 1 1 348 . 1 1 1 A 35 35 GLN CA C 177 53.731 54.485 -0.754 1 1 349 . 1 1 1 A 35 35 GLN CB C 177 29.555 31.870 -2.315 1 1 351 . 1 1 1 A 35 35 GLN N N 177 117.933 120.906 -2.973 1 1 353 . 1 1 1 A 36 36 PHE H H 178 8.799 8.461 0.338 1 1 354 . 1 1 1 A 36 36 PHE HA H 178 5.447 5.068 0.379 1 1 361 . 1 1 1 A 36 36 PHE C C 178 175.427 175.658 -0.231 1 1 362 . 1 1 1 A 36 36 PHE CA C 178 55.349 56.892 -1.543 1 1 363 . 1 1 1 A 36 36 PHE CB C 178 42.486 42.878 -0.392 1 1 364 . 1 1 1 A 36 36 PHE N N 178 120.404 124.431 -4.027 1 1 365 . 1 1 1 A 37 37 ILE H H 179 9.203 9.091 0.112 1 1 366 . 1 1 1 A 37 37 ILE HA H 179 4.322 4.352 -0.030 1 1 376 . 1 1 1 A 37 37 ILE C C 179 176.207 177.064 -0.857 1 1 377 . 1 1 1 A 37 37 ILE CA C 179 58.611 61.049 -2.438 1 1 378 . 1 1 1 A 37 37 ILE CB C 179 34.911 38.222 -3.311 1 1 380 . 1 1 1 A 37 37 ILE N N 179 120.720 122.832 -2.112 1 1 381 . 1 1 1 A 38 38 ARG H H 180 9.453 8.786 0.667 1 1 382 . 1 1 1 A 38 38 ARG HA H 180 3.951 4.279 -0.328 1 1 389 . 1 1 1 A 38 38 ARG C C 180 175.332 176.172 -0.840 1 1 390 . 1 1 1 A 38 38 ARG CA C 180 58.035 56.519 1.516 1 1 391 . 1 1 1 A 38 38 ARG CB C 180 30.593 31.452 -0.859 1 1 393 . 1 1 1 A 38 38 ARG N N 180 132.453 124.312 8.141 1 1 394 . 1 1 1 A 39 39 SER H H 181 7.529 7.708 -0.179 1 1 395 . 1 1 1 A 39 39 SER HA H 181 4.553 4.771 -0.218 1 1 397 . 1 1 1 A 39 39 SER C C 181 170.792 172.198 -1.406 1 1 398 . 1 1 1 A 39 39 SER CA C 181 56.629 57.358 -0.729 1 1 399 . 1 1 1 A 39 39 SER CB C 181 64.756 65.289 -0.533 1 1 400 . 1 1 1 A 39 39 SER N N 181 109.145 113.163 -4.018 1 1 401 . 1 1 1 A 40 40 VAL H H 182 8.595 8.727 -0.132 1 1 402 . 1 1 1 A 40 40 VAL HA H 182 4.609 4.780 -0.171 1 1 410 . 1 1 1 A 40 40 VAL C C 182 175.150 174.222 0.928 1 1 411 . 1 1 1 A 40 40 VAL CA C 182 60.603 60.774 -0.171 1 1 412 . 1 1 1 A 40 40 VAL CB C 182 34.480 35.595 -1.115 1 1 415 . 1 1 1 A 40 40 VAL N N 182 119.939 123.750 -3.811 1 1 416 . 1 1 1 A 41 41 ASP H H 183 9.410 9.082 0.328 1 1 417 . 1 1 1 A 41 41 ASP HA H 183 4.770 4.836 -0.066 1 1 420 . 1 1 1 A 41 41 ASP CA C 183 52.418 51.415 1.003 1 1 421 . 1 1 1 A 41 41 ASP CB C 183 39.357 41.931 -2.574 1 1 422 . 1 1 1 A 41 41 ASP N N 183 129.870 127.955 1.915 1 1 423 . 1 1 1 A 42 42 PRO HA H 184 4.551 4.345 0.206 1 1 429 . 1 1 1 A 42 42 PRO C C 184 176.520 177.153 -0.633 1 1 430 . 1 1 1 A 42 42 PRO CA C 184 62.915 63.810 -0.895 1 1 431 . 1 1 1 A 42 42 PRO CB C 184 31.844 31.674 0.170 1 1 434 . 1 1 1 A 43 43 ASP H H 185 9.250 8.942 0.308 1 1 435 . 1 1 1 A 43 43 ASP HA H 185 4.356 4.335 0.021 1 1 438 . 1 1 1 A 43 43 ASP C C 185 173.959 174.750 -0.791 1 1 439 . 1 1 1 A 43 43 ASP CA C 185 55.638 55.608 0.030 1 1 440 . 1 1 1 A 43 43 ASP CB C 185 39.100 40.387 -1.287 1 1 441 . 1 1 1 A 43 43 ASP N N 185 118.710 122.485 -3.775 1 1 442 . 1 1 1 A 44 44 SER H H 186 7.336 7.662 -0.326 1 1 443 . 1 1 1 A 44 44 SER HA H 186 4.953 4.795 0.158 1 1 445 . 1 1 1 A 44 44 SER CA C 186 56.329 56.746 -0.417 1 1 446 . 1 1 1 A 44 44 SER CB C 186 65.440 63.793 1.647 1 1 447 . 1 1 1 A 44 44 SER N N 186 111.769 114.938 -3.169 1 1 448 . 1 1 1 A 45 45 PRO HA H 187 4.522 4.141 0.381 1 1 455 . 1 1 1 A 45 45 PRO C C 187 179.929 178.154 1.775 1 1 456 . 1 1 1 A 45 45 PRO CA C 187 65.133 65.571 -0.438 1 1 457 . 1 1 1 A 45 45 PRO CB C 187 32.682 31.723 0.959 1 1 459 . 1 1 1 A 46 46 ALA H H 188 8.492 7.931 0.561 1 1 460 . 1 1 1 A 46 46 ALA HA H 188 4.378 3.995 0.383 1 1 464 . 1 1 1 A 46 46 ALA C C 188 175.528 179.981 -4.453 1 1 465 . 1 1 1 A 46 46 ALA CA C 188 54.584 55.410 -0.826 1 1 466 . 1 1 1 A 46 46 ALA CB C 188 19.714 18.042 1.672 1 1 467 . 1 1 1 A 46 46 ALA N N 188 118.684 118.695 -0.011 1 1 468 . 1 1 1 A 47 47 GLU H H 189 8.266 8.086 0.180 1 1 469 . 1 1 1 A 47 47 GLU HA H 189 3.881 3.982 -0.101 1 1 472 . 1 1 1 A 47 47 GLU C C 189 173.891 178.183 -4.292 1 1 473 . 1 1 1 A 47 47 GLU CA C 189 59.881 59.312 0.569 1 1 474 . 1 1 1 A 47 47 GLU CB C 189 29.830 29.696 0.134 1 1 475 . 1 1 1 A 47 47 GLU N N 189 122.834 118.441 4.393 1 1 476 . 1 1 1 A 48 48 ALA H H 190 8.378 8.682 -0.304 1 1 477 . 1 1 1 A 48 48 ALA HA H 190 4.228 4.056 0.172 1 1 481 . 1 1 1 A 48 48 ALA C C 190 178.612 180.063 -1.451 1 1 482 . 1 1 1 A 48 48 ALA CA C 190 54.522 55.013 -0.491 1 1 483 . 1 1 1 A 48 48 ALA CB C 190 17.980 18.261 -0.281 1 1 484 . 1 1 1 A 48 48 ALA N N 190 122.847 122.114 0.733 1 1 485 . 1 1 1 A 49 49 SER H H 191 7.949 7.356 0.593 1 1 486 . 1 1 1 A 49 49 SER HA H 191 4.544 4.496 0.048 1 1 489 . 1 1 1 A 49 49 SER C C 191 174.409 174.564 -0.155 1 1 490 . 1 1 1 A 49 49 SER CA C 191 59.717 58.978 0.739 1 1 491 . 1 1 1 A 49 49 SER CB C 191 64.762 63.634 1.128 1 1 492 . 1 1 1 A 49 49 SER N N 191 112.314 110.720 1.594 1 1 493 . 1 1 1 A 50 50 GLY H H 192 7.604 8.133 -0.529 1 1 494 . 1 1 1 A 50 50 GLY HA2 H 192 4.427 4.071 0.356 1 1 495 . 1 1 1 A 50 50 GLY HA3 H 192 3.714 4.072 -0.358 1 1 496 . 1 1 1 A 50 50 GLY C C 192 173.516 174.367 -0.851 1 1 497 . 1 1 1 A 50 50 GLY CA C 192 44.654 45.138 -0.484 1 1 498 . 1 1 1 A 50 50 GLY N N 192 107.849 108.626 -0.777 1 1 499 . 1 1 1 A 51 51 LEU H H 193 7.268 7.792 -0.524 1 1 500 . 1 1 1 A 51 51 LEU HA H 193 3.969 4.806 -0.837 1 1 510 . 1 1 1 A 51 51 LEU C C 193 174.799 175.550 -0.751 1 1 511 . 1 1 1 A 51 51 LEU CA C 193 55.198 54.201 0.997 1 1 512 . 1 1 1 A 51 51 LEU CB C 193 43.724 44.403 -0.679 1 1 515 . 1 1 1 A 51 51 LEU N N 193 124.317 122.636 1.681 1 1 516 . 1 1 1 A 52 52 ARG H H 194 8.891 8.939 -0.048 1 1 517 . 1 1 1 A 52 52 ARG HA H 194 4.613 4.996 -0.383 1 1 521 . 1 1 1 A 52 52 ARG C C 194 174.936 175.720 -0.784 1 1 522 . 1 1 1 A 52 52 ARG CA C 194 54.127 53.998 0.129 1 1 523 . 1 1 1 A 52 52 ARG CB C 194 34.156 34.024 0.132 1 1 524 . 1 1 1 A 52 52 ARG N N 194 124.468 125.093 -0.625 1 1 525 . 1 1 1 A 53 53 ALA H H 195 8.677 8.593 0.084 1 1 526 . 1 1 1 A 53 53 ALA HA H 195 3.682 4.042 -0.360 1 1 530 . 1 1 1 A 53 53 ALA C C 195 178.524 178.178 0.346 1 1 531 . 1 1 1 A 53 53 ALA CA C 195 53.523 52.590 0.933 1 1 532 . 1 1 1 A 53 53 ALA CB C 195 17.963 19.529 -1.566 1 1 533 . 1 1 1 A 53 53 ALA N N 195 122.213 126.871 -4.658 1 1 534 . 1 1 1 A 54 54 GLN H H 196 9.490 8.673 0.817 1 1 535 . 1 1 1 A 54 54 GLN HA H 196 4.032 4.030 0.002 1 1 541 . 1 1 1 A 54 54 GLN C C 196 174.503 174.765 -0.262 1 1 542 . 1 1 1 A 54 54 GLN CA C 196 58.036 57.935 0.101 1 1 543 . 1 1 1 A 54 54 GLN CB C 196 26.208 26.858 -0.650 1 1 544 . 1 1 1 A 54 54 GLN N N 196 115.882 115.581 0.301 1 1 546 . 1 1 1 A 55 55 ASP H H 197 7.798 7.708 0.090 1 1 547 . 1 1 1 A 55 55 ASP HA H 197 4.757 5.050 -0.293 1 1 550 . 1 1 1 A 55 55 ASP C C 197 174.629 175.740 -1.111 1 1 551 . 1 1 1 A 55 55 ASP CA C 197 55.315 54.619 0.696 1 1 552 . 1 1 1 A 55 55 ASP CB C 197 41.416 41.789 -0.373 1 1 553 . 1 1 1 A 55 55 ASP N N 197 121.039 120.398 0.641 1 1 554 . 1 1 1 A 56 56 ARG H H 198 8.938 8.232 0.706 1 1 555 . 1 1 1 A 56 56 ARG HA H 198 4.430 4.782 -0.352 1 1 557 . 1 1 1 A 56 56 ARG C C 198 174.400 175.782 -1.382 1 1 558 . 1 1 1 A 56 56 ARG CA C 198 54.273 55.684 -1.411 1 1 559 . 1 1 1 A 56 56 ARG CB C 198 32.499 31.146 1.353 1 1 560 . 1 1 1 A 56 56 ARG N N 198 122.032 122.912 -0.880 1 1 561 . 1 1 1 A 57 57 ILE H H 199 8.179 9.447 -1.268 1 1 562 . 1 1 1 A 57 57 ILE HA H 199 3.746 4.154 -0.408 1 1 572 . 1 1 1 A 57 57 ILE C C 199 174.272 175.857 -1.585 1 1 573 . 1 1 1 A 57 57 ILE CA C 199 62.349 62.310 0.039 1 1 574 . 1 1 1 A 57 57 ILE CB C 199 38.071 37.936 0.135 1 1 578 . 1 1 1 A 57 57 ILE N N 199 124.246 125.960 -1.714 1 1 579 . 1 1 1 A 58 58 VAL H H 200 9.389 9.532 -0.143 1 1 580 . 1 1 1 A 58 58 VAL HA H 200 4.107 4.177 -0.070 1 1 588 . 1 1 1 A 58 58 VAL C C 200 176.755 176.164 0.591 1 1 589 . 1 1 1 A 58 58 VAL CA C 200 63.067 63.699 -0.632 1 1 590 . 1 1 1 A 58 58 VAL CB C 200 32.894 33.099 -0.205 1 1 592 . 1 1 1 A 58 58 VAL N N 200 127.780 127.089 0.691 1 1 593 . 1 1 1 A 59 59 GLU H H 201 7.850 7.553 0.297 1 1 594 . 1 1 1 A 59 59 GLU HA H 201 5.126 5.005 0.121 1 1 598 . 1 1 1 A 59 59 GLU C C 201 175.123 173.788 1.335 1 1 599 . 1 1 1 A 59 59 GLU CA C 201 54.610 55.123 -0.513 1 1 600 . 1 1 1 A 59 59 GLU CB C 201 34.407 32.612 1.795 1 1 602 . 1 1 1 A 59 59 GLU N N 201 116.847 116.063 0.784 1 1 603 . 1 1 1 A 60 60 VAL H H 202 8.110 8.453 -0.343 1 1 604 . 1 1 1 A 60 60 VAL HA H 202 4.433 4.439 -0.006 1 1 612 . 1 1 1 A 60 60 VAL C C 202 175.772 176.195 -0.423 1 1 613 . 1 1 1 A 60 60 VAL CA C 202 60.952 61.415 -0.463 1 1 614 . 1 1 1 A 60 60 VAL CB C 202 33.802 34.164 -0.362 1 1 616 . 1 1 1 A 60 60 VAL N N 202 118.751 119.456 -0.705 1 1 617 . 1 1 1 A 61 61 ASN H H 203 9.900 10.112 -0.212 1 1 618 . 1 1 1 A 61 61 ASN HA H 203 4.312 4.406 -0.094 1 1 621 . 1 1 1 A 61 61 ASN C C 203 174.718 174.442 0.276 1 1 622 . 1 1 1 A 61 61 ASN CA C 203 54.260 54.132 0.128 1 1 623 . 1 1 1 A 61 61 ASN CB C 203 36.965 37.488 -0.523 1 1 624 . 1 1 1 A 61 61 ASN N N 203 128.765 125.726 3.039 1 1 625 . 1 1 1 A 62 62 GLY H H 204 9.192 8.277 0.915 1 1 626 . 1 1 1 A 62 62 GLY HA2 H 204 3.979 3.940 0.039 1 1 627 . 1 1 1 A 62 62 GLY HA3 H 204 3.734 3.940 -0.206 1 1 628 . 1 1 1 A 62 62 GLY C C 204 173.240 174.528 -1.288 1 1 629 . 1 1 1 A 62 62 GLY CA C 204 44.996 45.119 -0.123 1 1 630 . 1 1 1 A 62 62 GLY N N 204 103.295 104.588 -1.293 1 1 631 . 1 1 1 A 63 63 VAL H H 205 7.792 7.412 0.380 1 1 632 . 1 1 1 A 63 63 VAL HA H 205 4.085 4.157 -0.072 1 1 637 . 1 1 1 A 63 63 VAL C C 205 174.605 174.676 -0.071 1 1 638 . 1 1 1 A 63 63 VAL CA C 205 61.373 61.350 0.023 1 1 639 . 1 1 1 A 63 63 VAL CB C 205 32.623 31.468 1.155 1 1 642 . 1 1 1 A 63 63 VAL N N 205 122.193 119.314 2.879 1 1 643 . 1 1 1 A 64 64 CYS H H 206 8.878 8.572 0.306 1 1 644 . 1 1 1 A 64 64 CYS HA H 206 4.265 4.739 -0.474 1 1 647 . 1 1 1 A 64 64 CYS C C 206 176.086 173.943 2.143 1 1 648 . 1 1 1 A 64 64 CYS CA C 206 61.148 57.894 3.254 1 1 649 . 1 1 1 A 64 64 CYS CB C 206 27.938 27.949 -0.011 1 1 650 . 1 1 1 A 64 64 CYS N N 206 128.575 127.728 0.847 1 1 651 . 1 1 1 A 65 65 MET H H 207 8.413 8.559 -0.146 1 1 652 . 1 1 1 A 65 65 MET HA H 207 4.877 5.159 -0.282 1 1 654 . 1 1 1 A 65 65 MET CA C 207 52.697 54.413 -1.716 1 1 655 . 1 1 1 A 65 65 MET CB C 207 33.908 35.037 -1.129 1 1 656 . 1 1 1 A 65 65 MET N N 207 125.926 126.984 -1.058 1 1 657 . 1 1 1 A 66 66 GLU H H 208 8.768 8.760 0.008 1 1 658 . 1 1 1 A 66 66 GLU HA H 208 4.187 4.121 0.066 1 1 662 . 1 1 1 A 66 66 GLU C C 208 177.644 176.966 0.678 1 1 663 . 1 1 1 A 66 66 GLU CA C 208 58.586 57.975 0.611 1 1 664 . 1 1 1 A 66 66 GLU CB C 208 28.916 29.687 -0.771 1 1 665 . 1 1 1 A 67 67 GLY H H 209 9.144 8.872 0.272 1 1 666 . 1 1 1 A 67 67 GLY HA2 H 209 4.156 3.956 0.200 1 1 667 . 1 1 1 A 67 67 GLY HA3 H 209 3.746 3.961 -0.215 1 1 668 . 1 1 1 A 67 67 GLY C C 209 173.880 174.835 -0.955 1 1 669 . 1 1 1 A 67 67 GLY CA C 209 45.339 44.994 0.345 1 1 670 . 1 1 1 A 67 67 GLY N N 209 114.503 114.727 -0.224 1 1 671 . 1 1 1 A 68 68 LYS H H 210 7.585 7.204 0.381 1 1 672 . 1 1 1 A 68 68 LYS HA H 210 4.550 4.223 0.327 1 1 675 . 1 1 1 A 68 68 LYS C C 210 176.239 175.939 0.300 1 1 676 . 1 1 1 A 68 68 LYS CA C 210 54.802 56.516 -1.714 1 1 677 . 1 1 1 A 68 68 LYS CB C 210 32.493 33.632 -1.139 1 1 679 . 1 1 1 A 68 68 LYS N N 210 119.299 120.473 -1.174 1 1 680 . 1 1 1 A 69 69 GLN H H 211 9.176 8.833 0.343 1 1 681 . 1 1 1 A 69 69 GLN HA H 211 4.534 4.447 0.087 1 1 688 . 1 1 1 A 69 69 GLN C C 211 176.499 177.408 -0.909 1 1 689 . 1 1 1 A 69 69 GLN CA C 211 54.286 55.260 -0.974 1 1 690 . 1 1 1 A 69 69 GLN CB C 211 30.414 29.466 0.948 1 1 692 . 1 1 1 A 69 69 GLN N N 211 119.518 120.548 -1.030 1 1 694 . 1 1 1 A 70 70 HIS H H 212 9.097 9.076 0.021 1 1 695 . 1 1 1 A 70 70 HIS HA H 212 3.866 4.053 -0.187 1 1 698 . 1 1 1 A 70 70 HIS C C 212 176.987 177.020 -0.033 1 1 699 . 1 1 1 A 70 70 HIS CA C 212 61.326 59.607 1.719 1 1 700 . 1 1 1 A 70 70 HIS CB C 212 30.480 30.426 0.054 1 1 701 . 1 1 1 A 70 70 HIS N N 212 122.474 122.999 -0.525 1 1 702 . 1 1 1 A 71 71 GLY H H 213 9.138 8.567 0.571 1 1 703 . 1 1 1 A 71 71 GLY HA2 H 213 3.930 3.531 0.399 1 1 704 . 1 1 1 A 71 71 GLY HA3 H 213 3.693 3.592 0.101 1 1 705 . 1 1 1 A 71 71 GLY C C 213 176.374 176.185 0.189 1 1 706 . 1 1 1 A 71 71 GLY CA C 213 46.837 46.974 -0.137 1 1 707 . 1 1 1 A 71 71 GLY N N 213 103.821 106.403 -2.582 1 1 708 . 1 1 1 A 72 72 ASP H H 214 7.344 7.794 -0.450 1 1 709 . 1 1 1 A 72 72 ASP HA H 214 4.499 4.333 0.166 1 1 712 . 1 1 1 A 72 72 ASP C C 214 178.391 178.876 -0.485 1 1 713 . 1 1 1 A 72 72 ASP CA C 214 56.650 56.678 -0.028 1 1 714 . 1 1 1 A 72 72 ASP CB C 214 41.284 40.886 0.398 1 1 715 . 1 1 1 A 72 72 ASP N N 214 120.357 122.490 -2.133 1 1 716 . 1 1 1 A 73 73 VAL H H 215 7.697 8.551 -0.854 1 1 717 . 1 1 1 A 73 73 VAL HA H 215 3.804 3.643 0.161 1 1 725 . 1 1 1 A 73 73 VAL C C 215 177.258 178.508 -1.250 1 1 726 . 1 1 1 A 73 73 VAL CA C 215 65.957 66.203 -0.246 1 1 727 . 1 1 1 A 73 73 VAL CB C 215 31.411 31.631 -0.220 1 1 730 . 1 1 1 A 73 73 VAL N N 215 123.318 120.365 2.953 1 1 731 . 1 1 1 A 74 74 VAL H H 216 8.144 8.663 -0.519 1 1 732 . 1 1 1 A 74 74 VAL HA H 216 3.474 3.552 -0.078 1 1 740 . 1 1 1 A 74 74 VAL C C 216 178.839 177.996 0.843 1 1 741 . 1 1 1 A 74 74 VAL CA C 216 66.866 66.171 0.695 1 1 742 . 1 1 1 A 74 74 VAL CB C 216 31.496 31.329 0.167 1 1 745 . 1 1 1 A 74 74 VAL N N 216 118.785 121.504 -2.719 1 1 746 . 1 1 1 A 75 75 SER H H 217 8.153 8.540 -0.387 1 1 747 . 1 1 1 A 75 75 SER HA H 217 4.131 4.070 0.061 1 1 750 . 1 1 1 A 75 75 SER C C 217 176.246 176.305 -0.059 1 1 751 . 1 1 1 A 75 75 SER CA C 217 62.198 62.108 0.090 1 1 752 . 1 1 1 A 75 75 SER CB C 217 65.986 62.834 3.152 1 1 753 . 1 1 1 A 75 75 SER N N 217 115.428 115.913 -0.485 1 1 754 . 1 1 1 A 76 76 ALA H H 218 7.873 8.067 -0.194 1 1 755 . 1 1 1 A 76 76 ALA HA H 218 4.220 4.156 0.064 1 1 759 . 1 1 1 A 76 76 ALA C C 218 180.251 180.372 -0.121 1 1 760 . 1 1 1 A 76 76 ALA CA C 218 54.649 55.221 -0.572 1 1 761 . 1 1 1 A 76 76 ALA CB C 218 17.519 18.258 -0.739 1 1 762 . 1 1 1 A 76 76 ALA N N 218 125.449 122.963 2.486 1 1 763 . 1 1 1 A 77 77 ILE H H 219 8.357 7.522 0.835 1 1 764 . 1 1 1 A 77 77 ILE HA H 219 3.511 3.704 -0.193 1 1 774 . 1 1 1 A 77 77 ILE C C 219 181.394 178.180 3.214 1 1 775 . 1 1 1 A 77 77 ILE CA C 219 65.003 64.898 0.105 1 1 776 . 1 1 1 A 77 77 ILE CB C 219 38.374 36.741 1.633 1 1 779 . 1 1 1 A 77 77 ILE N N 219 119.293 118.930 0.363 1 1 780 . 1 1 1 A 78 78 ARG H H 220 8.817 7.721 1.096 1 1 781 . 1 1 1 A 78 78 ARG HA H 220 4.162 4.083 0.079 1 1 786 . 1 1 1 A 78 78 ARG C C 220 178.163 178.072 0.091 1 1 787 . 1 1 1 A 78 78 ARG CA C 220 59.499 59.475 0.024 1 1 788 . 1 1 1 A 78 78 ARG CB C 220 30.018 30.013 0.005 1 1 790 . 1 1 1 A 78 78 ARG N N 220 124.633 123.421 1.212 1 1 791 . 1 1 1 A 79 79 ALA H H 221 8.207 7.929 0.278 1 1 792 . 1 1 1 A 79 79 ALA HA H 221 4.223 4.233 -0.010 1 1 796 . 1 1 1 A 79 79 ALA C C 221 178.343 178.356 -0.013 1 1 797 . 1 1 1 A 79 79 ALA CA C 221 54.107 52.766 1.341 1 1 798 . 1 1 1 A 79 79 ALA CB C 221 18.055 18.672 -0.617 1 1 799 . 1 1 1 A 79 79 ALA N N 221 120.984 120.461 0.523 1 1 800 . 1 1 1 A 80 80 GLY H H 222 7.239 8.053 -0.814 1 1 801 . 1 1 1 A 80 80 GLY HA2 H 222 4.287 3.983 0.304 1 1 802 . 1 1 1 A 80 80 GLY C C 222 174.203 174.545 -0.342 1 1 803 . 1 1 1 A 80 80 GLY CA C 222 44.921 45.270 -0.349 1 1 804 . 1 1 1 A 80 80 GLY N N 222 102.308 107.479 -5.171 1 1 805 . 1 1 1 A 81 81 GLY H H 223 7.873 8.198 -0.325 1 1 806 . 1 1 1 A 81 81 GLY HA2 H 223 4.229 3.835 0.394 1 1 807 . 1 1 1 A 81 81 GLY HA3 H 223 3.735 3.836 -0.101 1 1 808 . 1 1 1 A 81 81 GLY C C 223 174.031 174.919 -0.888 1 1 809 . 1 1 1 A 81 81 GLY CA C 223 46.465 47.069 -0.604 1 1 810 . 1 1 1 A 81 81 GLY N N 223 107.624 107.446 0.178 1 1 811 . 1 1 1 A 82 82 ASP H H 224 9.157 8.766 0.391 1 1 812 . 1 1 1 A 82 82 ASP HA H 224 4.625 4.615 0.010 1 1 815 . 1 1 1 A 82 82 ASP C C 224 173.254 175.781 -2.527 1 1 816 . 1 1 1 A 82 82 ASP CA C 224 54.408 54.737 -0.329 1 1 817 . 1 1 1 A 82 82 ASP CB C 224 40.829 41.608 -0.779 1 1 818 . 1 1 1 A 82 82 ASP N N 224 128.466 126.415 2.051 1 1 819 . 1 1 1 A 83 83 GLU H H 225 7.479 7.719 -0.240 1 1 820 . 1 1 1 A 83 83 GLU HA H 225 5.454 4.818 0.636 1 1 825 . 1 1 1 A 83 83 GLU C C 225 175.120 175.337 -0.217 1 1 826 . 1 1 1 A 83 83 GLU CA C 225 54.723 55.462 -0.739 1 1 827 . 1 1 1 A 83 83 GLU CB C 225 33.927 31.365 2.562 1 1 829 . 1 1 1 A 83 83 GLU N N 225 118.419 119.975 -1.556 1 1 830 . 1 1 1 A 84 84 THR H H 226 8.759 9.357 -0.598 1 1 831 . 1 1 1 A 84 84 THR HA H 226 4.680 4.862 -0.182 1 1 836 . 1 1 1 A 84 84 THR C C 226 170.497 173.579 -3.082 1 1 837 . 1 1 1 A 84 84 THR CA C 226 62.538 62.027 0.511 1 1 838 . 1 1 1 A 84 84 THR CB C 226 70.389 69.191 1.198 1 1 840 . 1 1 1 A 84 84 THR N N 226 116.177 122.435 -6.258 1 1 841 . 1 1 1 A 85 85 LYS H H 227 7.829 8.904 -1.075 1 1 842 . 1 1 1 A 85 85 LYS HA H 227 5.085 4.696 0.389 1 1 847 . 1 1 1 A 85 85 LYS C C 227 174.884 175.216 -0.332 1 1 848 . 1 1 1 A 85 85 LYS CA C 227 54.338 56.035 -1.697 1 1 849 . 1 1 1 A 85 85 LYS CB C 227 34.154 32.530 1.624 1 1 853 . 1 1 1 A 85 85 LYS N N 227 125.540 127.549 -2.009 1 1 854 . 1 1 1 A 86 86 LEU H H 228 8.977 9.024 -0.047 1 1 855 . 1 1 1 A 86 86 LEU HA H 228 5.049 5.159 -0.110 1 1 864 . 1 1 1 A 86 86 LEU C C 228 174.337 174.977 -0.640 1 1 865 . 1 1 1 A 86 86 LEU CA C 228 52.201 53.427 -1.226 1 1 866 . 1 1 1 A 86 86 LEU CB C 228 44.238 43.401 0.837 1 1 867 . 1 1 1 A 86 86 LEU N N 228 125.294 126.466 -1.172 1 1 868 . 1 1 1 A 87 87 LEU H H 229 8.619 8.580 0.039 1 1 869 . 1 1 1 A 87 87 LEU HA H 229 5.244 5.247 -0.003 1 1 875 . 1 1 1 A 87 87 LEU C C 229 175.951 175.927 0.024 1 1 876 . 1 1 1 A 87 87 LEU CA C 229 53.857 53.572 0.285 1 1 877 . 1 1 1 A 87 87 LEU CB C 229 43.711 44.321 -0.610 1 1 878 . 1 1 1 A 87 87 LEU N N 229 128.223 127.633 0.590 1 1 879 . 1 1 1 A 88 88 VAL H H 230 9.291 8.891 0.400 1 1 880 . 1 1 1 A 88 88 VAL HA H 230 5.627 5.538 0.089 1 1 888 . 1 1 1 A 88 88 VAL C C 230 174.077 174.906 -0.829 1 1 889 . 1 1 1 A 88 88 VAL CA C 230 58.217 60.023 -1.806 1 1 890 . 1 1 1 A 88 88 VAL CB C 230 36.697 34.786 1.911 1 1 893 . 1 1 1 A 88 88 VAL N N 230 120.780 121.886 -1.106 1 1 894 . 1 1 1 A 89 89 VAL H H 231 8.241 8.655 -0.414 1 1 895 . 1 1 1 A 89 89 VAL HA H 231 4.814 4.801 0.013 1 1 903 . 1 1 1 A 89 89 VAL C C 231 174.661 173.674 0.987 1 1 904 . 1 1 1 A 89 89 VAL CA C 231 58.524 59.957 -1.433 1 1 905 . 1 1 1 A 89 89 VAL CB C 231 35.588 34.835 0.753 1 1 908 . 1 1 1 A 89 89 VAL N N 231 110.935 121.037 -10.102 1 1 909 . 1 1 1 A 90 90 ASP H H 232 7.841 8.701 -0.860 1 1 910 . 1 1 1 A 90 90 ASP HA H 232 4.883 4.753 0.130 1 1 913 . 1 1 1 A 90 90 ASP C C 232 175.406 176.603 -1.197 1 1 914 . 1 1 1 A 90 90 ASP CA C 232 52.420 52.788 -0.368 1 1 915 . 1 1 1 A 90 90 ASP CB C 232 41.621 41.020 0.601 1 1 916 . 1 1 1 A 90 90 ASP N N 232 122.442 124.509 -2.067 1 1 917 . 1 1 1 A 91 91 ARG H H 233 8.780 8.732 0.048 1 1 918 . 1 1 1 A 91 91 ARG HA H 233 4.228 4.044 0.184 1 1 921 . 1 1 1 A 91 91 ARG C C 233 177.865 178.220 -0.355 1 1 922 . 1 1 1 A 91 91 ARG CA C 233 58.821 58.855 -0.034 1 1 923 . 1 1 1 A 91 91 ARG CB C 233 29.977 29.773 0.204 1 1 925 . 1 1 1 A 91 91 ARG N N 233 120.292 126.814 -6.522 1 1 926 . 1 1 1 A 92 92 GLU H H 234 8.663 7.737 0.926 1 1 927 . 1 1 1 A 92 92 GLU HA H 234 4.071 4.286 -0.215 1 1 932 . 1 1 1 A 92 92 GLU C C 234 178.395 179.010 -0.615 1 1 933 . 1 1 1 A 92 92 GLU CA C 234 59.115 59.183 -0.068 1 1 934 . 1 1 1 A 92 92 GLU CB C 234 29.131 29.497 -0.366 1 1 936 . 1 1 1 A 92 92 GLU N N 234 119.448 118.744 0.704 1 1 937 . 1 1 1 A 93 93 THR H H 235 8.255 7.630 0.625 1 1 938 . 1 1 1 A 93 93 THR HA H 235 3.975 4.212 -0.237 1 1 943 . 1 1 1 A 93 93 THR C C 235 175.146 175.742 -0.596 1 1 944 . 1 1 1 A 93 93 THR CA C 235 65.516 65.747 -0.231 1 1 945 . 1 1 1 A 93 93 THR CB C 235 68.363 68.926 -0.563 1 1 947 . 1 1 1 A 93 93 THR N N 235 117.260 117.084 0.176 1 1 948 . 1 1 1 A 94 94 ASP H H 236 8.302 8.352 -0.050 1 1 949 . 1 1 1 A 94 94 ASP HA H 236 4.557 4.425 0.132 1 1 952 . 1 1 1 A 94 94 ASP C C 236 177.739 177.824 -0.085 1 1 953 . 1 1 1 A 94 94 ASP CA C 236 55.460 57.622 -2.162 1 1 954 . 1 1 1 A 94 94 ASP CB C 236 41.093 42.261 -1.168 1 1 955 . 1 1 1 A 94 94 ASP N N 236 122.075 120.821 1.254 1 1 956 . 1 1 1 A 95 95 GLU H H 237 8.084 8.497 -0.413 1 1 957 . 1 1 1 A 95 95 GLU HA H 237 4.032 4.150 -0.118 1 1 961 . 1 1 1 A 95 95 GLU C C 237 176.899 179.086 -2.187 1 1 962 . 1 1 1 A 95 95 GLU CA C 237 57.612 59.311 -1.699 1 1 963 . 1 1 1 A 95 95 GLU CB C 237 29.393 29.289 0.104 1 1 965 . 1 1 1 A 95 95 GLU N N 237 117.733 117.967 -0.234 1 1 966 . 1 1 1 A 96 96 PHE H H 238 7.927 8.107 -0.180 1 1 967 . 1 1 1 A 96 96 PHE HA H 238 4.363 4.286 0.077 1 1 974 . 1 1 1 A 96 96 PHE C C 238 175.655 177.786 -2.131 1 1 975 . 1 1 1 A 96 96 PHE CA C 238 59.139 61.377 -2.238 1 1 976 . 1 1 1 A 96 96 PHE CB C 238 39.723 39.076 0.647 1 1 977 . 1 1 1 A 96 96 PHE N N 238 119.312 122.041 -2.729 1 1 978 . 1 1 1 A 97 97 PHE H H 239 7.896 8.671 -0.775 1 1 979 . 1 1 1 A 97 97 PHE HA H 239 4.506 3.999 0.507 1 1 986 . 1 1 1 A 97 97 PHE C C 239 174.173 177.363 -3.190 1 1 987 . 1 1 1 A 97 97 PHE CA C 239 58.034 60.898 -2.864 1 1 988 . 1 1 1 A 97 97 PHE CB C 239 39.447 39.456 -0.009 1 1 989 . 1 1 1 A 97 97 PHE N N 239 119.260 120.241 -0.981 1 1 1 . 2 1 1 A 2 2 ILE HA H 144 4.171 4.734 -0.563 1 1 11 . 2 1 1 A 2 2 ILE C C 144 175.446 173.063 2.383 1 1 12 . 2 1 1 A 2 2 ILE CA C 144 60.547 59.710 0.837 1 1 13 . 2 1 1 A 2 2 ILE CB C 144 38.500 41.277 -2.777 1 1 17 . 2 1 1 A 3 3 ASP H H 145 8.584 8.755 -0.171 1 1 18 . 2 1 1 A 3 3 ASP HA H 145 4.879 5.145 -0.266 1 1 21 . 2 1 1 A 3 3 ASP CA C 145 51.583 50.887 0.696 1 1 22 . 2 1 1 A 3 3 ASP CB C 145 41.044 42.913 -1.869 1 1 23 . 2 1 1 A 3 3 ASP N N 145 127.098 129.476 -2.378 1 1 24 . 2 1 1 A 4 4 PRO HA H 146 4.290 4.325 -0.035 1 1 31 . 2 1 1 A 4 4 PRO C C 146 176.840 178.103 -1.263 1 1 32 . 2 1 1 A 4 4 PRO CA C 146 63.386 65.617 -2.231 1 1 33 . 2 1 1 A 4 4 PRO CB C 146 31.799 31.819 -0.020 1 1 36 . 2 1 1 A 5 5 PHE H H 147 8.323 8.099 0.224 1 1 37 . 2 1 1 A 5 5 PHE HA H 147 4.550 4.198 0.352 1 1 44 . 2 1 1 A 5 5 PHE C C 147 176.081 175.003 1.078 1 1 45 . 2 1 1 A 5 5 PHE CA C 147 58.224 61.442 -3.218 1 1 46 . 2 1 1 A 5 5 PHE CB C 147 38.571 39.597 -1.026 1 1 47 . 2 1 1 A 5 5 PHE N N 147 118.510 118.167 0.343 1 1 48 . 2 1 1 A 6 6 THR H H 148 7.769 7.523 0.246 1 1 49 . 2 1 1 A 6 6 THR HA H 148 4.195 4.719 -0.524 1 1 54 . 2 1 1 A 6 6 THR C C 148 173.870 174.674 -0.804 1 1 55 . 2 1 1 A 6 6 THR CA C 148 62.114 60.120 1.994 1 1 56 . 2 1 1 A 6 6 THR CB C 148 69.325 70.908 -1.583 1 1 58 . 2 1 1 A 6 6 THR N N 148 114.321 108.800 5.521 1 1 59 . 2 1 1 A 7 7 MET H H 149 8.101 8.833 -0.732 1 1 60 . 2 1 1 A 7 7 MET HA H 149 4.438 4.818 -0.380 1 1 65 . 2 1 1 A 7 7 MET C C 149 175.544 176.477 -0.933 1 1 66 . 2 1 1 A 7 7 MET CA C 149 55.218 55.675 -0.457 1 1 67 . 2 1 1 A 7 7 MET CB C 149 32.224 34.263 -2.039 1 1 69 . 2 1 1 A 7 7 MET N N 149 121.779 120.862 0.917 1 1 70 . 2 1 1 A 8 8 LEU H H 150 8.110 7.939 0.171 1 1 71 . 2 1 1 A 8 8 LEU HA H 150 4.467 4.068 0.399 1 1 81 . 2 1 1 A 8 8 LEU C C 150 175.439 176.455 -1.016 1 1 82 . 2 1 1 A 8 8 LEU CA C 150 54.333 57.343 -3.010 1 1 83 . 2 1 1 A 8 8 LEU CB C 150 40.631 41.469 -0.838 1 1 86 . 2 1 1 A 8 8 LEU N N 150 123.383 121.160 2.223 1 1 87 . 2 1 1 A 9 9 ARG H H 151 7.900 7.460 0.440 1 1 88 . 2 1 1 A 9 9 ARG HA H 151 4.769 4.403 0.366 1 1 93 . 2 1 1 A 9 9 ARG CA C 151 52.792 55.569 -2.777 1 1 94 . 2 1 1 A 9 9 ARG CB C 151 30.717 30.203 0.514 1 1 96 . 2 1 1 A 9 9 ARG N N 151 119.907 117.687 2.220 1 1 97 . 2 1 1 A 10 10 PRO HA H 152 4.546 4.603 -0.057 1 1 104 . 2 1 1 A 10 10 PRO C C 152 175.520 175.927 -0.407 1 1 105 . 2 1 1 A 10 10 PRO CA C 152 62.580 62.977 -0.397 1 1 106 . 2 1 1 A 10 10 PRO CB C 152 31.507 32.666 -1.159 1 1 109 . 2 1 1 A 11 11 ARG H H 153 8.987 8.589 0.398 1 1 110 . 2 1 1 A 11 11 ARG HA H 153 4.462 4.858 -0.396 1 1 113 . 2 1 1 A 11 11 ARG C C 153 173.260 174.366 -1.106 1 1 114 . 2 1 1 A 11 11 ARG CA C 153 54.652 54.263 0.389 1 1 115 . 2 1 1 A 11 11 ARG CB C 153 32.449 33.967 -1.518 1 1 116 . 2 1 1 A 11 11 ARG N N 153 122.642 120.902 1.740 1 1 117 . 2 1 1 A 12 12 LEU H H 154 8.675 8.745 -0.070 1 1 118 . 2 1 1 A 12 12 LEU HA H 154 4.926 4.863 0.063 1 1 127 . 2 1 1 A 12 12 LEU C C 154 176.282 175.181 1.101 1 1 128 . 2 1 1 A 12 12 LEU CA C 154 53.222 53.872 -0.650 1 1 129 . 2 1 1 A 12 12 LEU CB C 154 42.382 44.491 -2.109 1 1 132 . 2 1 1 A 12 12 LEU N N 154 125.776 124.185 1.591 1 1 133 . 2 1 1 A 13 13 CYS H H 155 9.509 9.320 0.189 1 1 134 . 2 1 1 A 13 13 CYS HA H 155 4.762 5.291 -0.529 1 1 137 . 2 1 1 A 13 13 CYS C C 155 173.211 173.264 -0.053 1 1 138 . 2 1 1 A 13 13 CYS CA C 155 57.646 57.379 0.267 1 1 139 . 2 1 1 A 13 13 CYS CB C 155 28.495 30.998 -2.503 1 1 140 . 2 1 1 A 13 13 CYS N N 155 130.053 125.549 4.504 1 1 141 . 2 1 1 A 14 14 THR H H 156 8.979 9.575 -0.596 1 1 142 . 2 1 1 A 14 14 THR HA H 156 4.927 5.027 -0.100 1 1 147 . 2 1 1 A 14 14 THR C C 156 172.990 173.757 -0.767 1 1 148 . 2 1 1 A 14 14 THR CA C 156 61.216 61.658 -0.442 1 1 149 . 2 1 1 A 14 14 THR CB C 156 69.306 70.825 -1.519 1 1 151 . 2 1 1 A 14 14 THR N N 156 122.811 121.049 1.762 1 1 152 . 2 1 1 A 15 15 MET H H 157 8.889 8.813 0.076 1 1 153 . 2 1 1 A 15 15 MET HA H 157 5.006 5.423 -0.417 1 1 157 . 2 1 1 A 15 15 MET C C 157 176.000 175.176 0.824 1 1 158 . 2 1 1 A 15 15 MET CA C 157 54.167 53.152 1.015 1 1 159 . 2 1 1 A 15 15 MET CB C 157 39.030 35.038 3.992 1 1 160 . 2 1 1 A 15 15 MET N N 157 121.855 124.544 -2.689 1 1 161 . 2 1 1 A 16 16 LYS H H 158 8.614 8.672 -0.058 1 1 162 . 2 1 1 A 16 16 LYS HA H 158 5.262 4.733 0.529 1 1 167 . 2 1 1 A 16 16 LYS C C 158 175.677 176.815 -1.138 1 1 168 . 2 1 1 A 16 16 LYS CA C 158 54.283 54.885 -0.602 1 1 169 . 2 1 1 A 16 16 LYS CB C 158 34.677 34.183 0.494 1 1 172 . 2 1 1 A 16 16 LYS N N 158 122.373 121.675 0.698 1 1 173 . 2 1 1 A 17 17 LYS H H 159 8.519 9.489 -0.970 1 1 174 . 2 1 1 A 17 17 LYS HA H 159 3.208 3.999 -0.791 1 1 179 . 2 1 1 A 17 17 LYS C C 159 176.799 176.311 0.488 1 1 180 . 2 1 1 A 17 17 LYS CA C 159 58.532 59.258 -0.726 1 1 181 . 2 1 1 A 17 17 LYS CB C 159 33.471 32.294 1.177 1 1 184 . 2 1 1 A 17 17 LYS N N 159 123.623 127.142 -3.519 1 1 185 . 2 1 1 A 18 18 GLY H H 160 7.222 7.754 -0.532 1 1 186 . 2 1 1 A 18 18 GLY HA2 H 160 4.578 3.960 0.618 1 1 187 . 2 1 1 A 18 18 GLY HA3 H 160 3.950 3.966 -0.016 1 1 188 . 2 1 1 A 18 18 GLY CA C 160 44.160 44.997 -0.837 1 1 189 . 2 1 1 A 18 18 GLY N N 160 111.304 107.164 4.140 1 1 190 . 2 1 1 A 19 19 PRO HA H 161 4.307 4.535 -0.228 1 1 197 . 2 1 1 A 19 19 PRO C C 161 177.523 176.677 0.846 1 1 198 . 2 1 1 A 19 19 PRO CA C 161 64.766 63.928 0.838 1 1 199 . 2 1 1 A 19 19 PRO CB C 161 31.509 32.148 -0.639 1 1 202 . 2 1 1 A 20 20 SER H H 162 8.462 7.271 1.191 1 1 203 . 2 1 1 A 20 20 SER HA H 162 4.708 4.482 0.226 1 1 206 . 2 1 1 A 20 20 SER C C 162 173.887 174.308 -0.421 1 1 207 . 2 1 1 A 20 20 SER CA C 162 56.541 58.582 -2.041 1 1 208 . 2 1 1 A 20 20 SER CB C 162 63.086 65.382 -2.296 1 1 209 . 2 1 1 A 20 20 SER N N 162 111.594 110.503 1.091 1 1 210 . 2 1 1 A 21 21 GLY H H 163 7.730 8.299 -0.569 1 1 211 . 2 1 1 A 21 21 GLY HA2 H 163 4.477 3.567 0.910 1 1 212 . 2 1 1 A 21 21 GLY HA3 H 163 3.242 3.689 -0.447 1 1 213 . 2 1 1 A 21 21 GLY CA C 163 43.895 46.258 -2.363 1 1 214 . 2 1 1 A 21 21 GLY N N 163 108.656 109.817 -1.161 1 1 215 . 2 1 1 A 22 22 TYR H H 164 7.210 8.377 -1.167 1 1 216 . 2 1 1 A 22 22 TYR HA H 164 4.366 4.359 0.007 1 1 223 . 2 1 1 A 22 22 TYR C C 164 176.198 176.296 -0.098 1 1 224 . 2 1 1 A 22 22 TYR CA C 164 60.930 58.652 2.278 1 1 225 . 2 1 1 A 22 22 TYR CB C 164 40.660 39.620 1.040 1 1 226 . 2 1 1 A 23 23 GLY H H 165 8.600 8.606 -0.006 1 1 227 . 2 1 1 A 23 23 GLY HA2 H 165 4.511 3.890 0.621 1 1 228 . 2 1 1 A 23 23 GLY HA3 H 165 3.886 3.938 -0.052 1 1 229 . 2 1 1 A 23 23 GLY C C 165 172.930 173.809 -0.879 1 1 230 . 2 1 1 A 23 23 GLY CA C 165 45.013 45.910 -0.897 1 1 231 . 2 1 1 A 23 23 GLY N N 165 103.183 108.008 -4.825 1 1 232 . 2 1 1 A 24 24 PHE H H 166 6.855 8.037 -1.182 1 1 233 . 2 1 1 A 24 24 PHE HA H 166 5.629 5.172 0.457 1 1 241 . 2 1 1 A 24 24 PHE C C 166 172.417 173.646 -1.229 1 1 242 . 2 1 1 A 24 24 PHE CA C 166 54.693 55.450 -0.757 1 1 243 . 2 1 1 A 24 24 PHE CB C 166 42.235 41.852 0.383 1 1 244 . 2 1 1 A 24 24 PHE N N 166 111.547 115.705 -4.158 1 1 245 . 2 1 1 A 25 25 ASN H H 167 8.121 9.352 -1.231 1 1 246 . 2 1 1 A 25 25 ASN HA H 167 5.097 5.444 -0.347 1 1 251 . 2 1 1 A 25 25 ASN C C 167 174.068 174.315 -0.247 1 1 252 . 2 1 1 A 25 25 ASN CA C 167 51.521 52.156 -0.635 1 1 253 . 2 1 1 A 25 25 ASN CB C 167 41.155 42.509 -1.354 1 1 254 . 2 1 1 A 25 25 ASN N N 167 117.619 117.423 0.196 1 1 256 . 2 1 1 A 26 26 LEU H H 168 9.287 8.721 0.566 1 1 257 . 2 1 1 A 26 26 LEU HA H 168 5.369 4.973 0.396 1 1 266 . 2 1 1 A 26 26 LEU C C 168 176.491 175.520 0.971 1 1 267 . 2 1 1 A 26 26 LEU CA C 168 54.171 53.703 0.468 1 1 268 . 2 1 1 A 26 26 LEU CB C 168 44.783 45.715 -0.932 1 1 272 . 2 1 1 A 26 26 LEU N N 168 123.933 120.987 2.946 1 1 273 . 2 1 1 A 27 27 HIS H H 169 9.466 8.852 0.614 1 1 274 . 2 1 1 A 27 27 HIS HA H 169 4.922 5.786 -0.864 1 1 276 . 2 1 1 A 27 27 HIS CA C 169 56.019 53.620 2.399 1 1 277 . 2 1 1 A 27 27 HIS CB C 169 33.352 33.797 -0.445 1 1 278 . 2 1 1 A 27 27 HIS N N 169 119.976 119.191 0.785 1 1 279 . 2 1 1 A 28 28 SER HA H 170 4.703 5.166 -0.463 1 1 282 . 2 1 1 A 28 28 SER C C 170 172.451 173.110 -0.659 1 1 283 . 2 1 1 A 28 28 SER CA C 170 57.104 56.378 0.726 1 1 284 . 2 1 1 A 28 28 SER CB C 170 63.937 65.702 -1.765 1 1 285 . 2 1 1 A 29 29 ASP H H 171 9.230 9.136 0.094 1 1 286 . 2 1 1 A 29 29 ASP HA H 171 4.591 4.788 -0.197 1 1 289 . 2 1 1 A 29 29 ASP CA C 171 53.406 55.715 -2.309 1 1 290 . 2 1 1 A 29 29 ASP CB C 171 43.831 42.656 1.175 1 1 291 . 2 1 1 A 29 29 ASP N N 171 123.447 125.117 -1.670 1 1 292 . 2 1 1 A 30 30 LYS HA H 172 4.148 4.598 -0.450 1 1 298 . 2 1 1 A 30 30 LYS C C 172 176.768 176.748 0.020 1 1 299 . 2 1 1 A 30 30 LYS CA C 172 57.755 54.884 2.871 1 1 300 . 2 1 1 A 30 30 LYS CB C 172 31.872 33.901 -2.029 1 1 301 . 2 1 1 A 31 31 SER H H 173 8.803 8.642 0.161 1 1 302 . 2 1 1 A 31 31 SER HA H 173 4.419 4.744 -0.325 1 1 304 . 2 1 1 A 31 31 SER C C 173 173.570 174.673 -1.103 1 1 305 . 2 1 1 A 31 31 SER CA C 173 59.354 57.793 1.561 1 1 306 . 2 1 1 A 31 31 SER CB C 173 64.113 63.851 0.262 1 1 307 . 2 1 1 A 31 31 SER N N 173 115.001 115.987 -0.986 1 1 308 . 2 1 1 A 32 32 LYS H H 174 7.893 7.790 0.103 1 1 309 . 2 1 1 A 32 32 LYS HA H 174 4.804 4.379 0.425 1 1 316 . 2 1 1 A 32 32 LYS CA C 174 53.258 58.497 -5.239 1 1 317 . 2 1 1 A 32 32 LYS CB C 174 33.448 33.647 -0.199 1 1 321 . 2 1 1 A 32 32 LYS N N 174 122.863 120.716 2.147 1 1 322 . 2 1 1 A 33 33 PRO HA H 175 4.592 4.418 0.174 1 1 329 . 2 1 1 A 33 33 PRO C C 175 176.188 177.321 -1.133 1 1 330 . 2 1 1 A 33 33 PRO CA C 175 62.823 65.254 -2.431 1 1 331 . 2 1 1 A 33 33 PRO CB C 175 32.076 31.847 0.229 1 1 334 . 2 1 1 A 34 34 GLY H H 176 8.328 7.412 0.916 1 1 335 . 2 1 1 A 34 34 GLY HA2 H 176 4.179 3.934 0.245 1 1 336 . 2 1 1 A 34 34 GLY HA3 H 176 3.713 3.957 -0.244 1 1 337 . 2 1 1 A 34 34 GLY C C 176 172.298 171.609 0.689 1 1 338 . 2 1 1 A 34 34 GLY CA C 176 43.770 43.912 -0.142 1 1 339 . 2 1 1 A 34 34 GLY N N 176 108.419 104.802 3.617 1 1 340 . 2 1 1 A 35 35 GLN H H 177 8.673 8.099 0.574 1 1 341 . 2 1 1 A 35 35 GLN HA H 177 4.761 4.465 0.296 1 1 347 . 2 1 1 A 35 35 GLN C C 177 173.569 174.170 -0.601 1 1 348 . 2 1 1 A 35 35 GLN CA C 177 53.731 54.422 -0.691 1 1 349 . 2 1 1 A 35 35 GLN CB C 177 29.555 30.192 -0.637 1 1 351 . 2 1 1 A 35 35 GLN N N 177 117.933 119.933 -2.000 1 1 353 . 2 1 1 A 36 36 PHE H H 178 8.799 8.178 0.621 1 1 354 . 2 1 1 A 36 36 PHE HA H 178 5.447 4.751 0.696 1 1 361 . 2 1 1 A 36 36 PHE C C 178 175.427 175.118 0.309 1 1 362 . 2 1 1 A 36 36 PHE CA C 178 55.349 56.701 -1.352 1 1 363 . 2 1 1 A 36 36 PHE CB C 178 42.486 43.446 -0.960 1 1 364 . 2 1 1 A 36 36 PHE N N 178 120.404 123.619 -3.215 1 1 365 . 2 1 1 A 37 37 ILE H H 179 9.203 8.569 0.634 1 1 366 . 2 1 1 A 37 37 ILE HA H 179 4.322 4.227 0.095 1 1 376 . 2 1 1 A 37 37 ILE C C 179 176.207 177.108 -0.901 1 1 377 . 2 1 1 A 37 37 ILE CA C 179 58.611 62.010 -3.399 1 1 378 . 2 1 1 A 37 37 ILE CB C 179 34.911 38.251 -3.340 1 1 380 . 2 1 1 A 37 37 ILE N N 179 120.720 123.795 -3.075 1 1 381 . 2 1 1 A 38 38 ARG H H 180 9.453 9.294 0.159 1 1 382 . 2 1 1 A 38 38 ARG HA H 180 3.951 4.825 -0.874 1 1 389 . 2 1 1 A 38 38 ARG C C 180 175.332 176.296 -0.964 1 1 390 . 2 1 1 A 38 38 ARG CA C 180 58.035 56.826 1.209 1 1 391 . 2 1 1 A 38 38 ARG CB C 180 30.593 31.922 -1.329 1 1 393 . 2 1 1 A 38 38 ARG N N 180 132.453 124.027 8.426 1 1 394 . 2 1 1 A 39 39 SER H H 181 7.529 7.781 -0.252 1 1 395 . 2 1 1 A 39 39 SER HA H 181 4.553 4.819 -0.266 1 1 397 . 2 1 1 A 39 39 SER C C 181 170.792 172.216 -1.424 1 1 398 . 2 1 1 A 39 39 SER CA C 181 56.629 57.473 -0.844 1 1 399 . 2 1 1 A 39 39 SER CB C 181 64.756 65.566 -0.810 1 1 400 . 2 1 1 A 39 39 SER N N 181 109.145 113.542 -4.397 1 1 401 . 2 1 1 A 40 40 VAL H H 182 8.595 8.669 -0.074 1 1 402 . 2 1 1 A 40 40 VAL HA H 182 4.609 4.789 -0.180 1 1 410 . 2 1 1 A 40 40 VAL C C 182 175.150 174.124 1.026 1 1 411 . 2 1 1 A 40 40 VAL CA C 182 60.603 60.645 -0.042 1 1 412 . 2 1 1 A 40 40 VAL CB C 182 34.480 35.740 -1.260 1 1 415 . 2 1 1 A 40 40 VAL N N 182 119.939 123.081 -3.142 1 1 416 . 2 1 1 A 41 41 ASP H H 183 9.410 9.245 0.165 1 1 417 . 2 1 1 A 41 41 ASP HA H 183 4.770 4.810 -0.040 1 1 420 . 2 1 1 A 41 41 ASP CA C 183 52.418 51.502 0.916 1 1 421 . 2 1 1 A 41 41 ASP CB C 183 39.357 42.145 -2.788 1 1 422 . 2 1 1 A 41 41 ASP N N 183 129.870 127.960 1.910 1 1 423 . 2 1 1 A 42 42 PRO HA H 184 4.551 4.344 0.207 1 1 429 . 2 1 1 A 42 42 PRO C C 184 176.520 177.119 -0.599 1 1 430 . 2 1 1 A 42 42 PRO CA C 184 62.915 63.789 -0.874 1 1 431 . 2 1 1 A 42 42 PRO CB C 184 31.844 31.638 0.206 1 1 434 . 2 1 1 A 43 43 ASP H H 185 9.250 8.925 0.325 1 1 435 . 2 1 1 A 43 43 ASP HA H 185 4.356 4.304 0.052 1 1 438 . 2 1 1 A 43 43 ASP C C 185 173.959 174.745 -0.786 1 1 439 . 2 1 1 A 43 43 ASP CA C 185 55.638 55.603 0.035 1 1 440 . 2 1 1 A 43 43 ASP CB C 185 39.100 40.380 -1.280 1 1 441 . 2 1 1 A 43 43 ASP N N 185 118.710 122.456 -3.746 1 1 442 . 2 1 1 A 44 44 SER H H 186 7.336 7.637 -0.301 1 1 443 . 2 1 1 A 44 44 SER HA H 186 4.953 4.758 0.195 1 1 445 . 2 1 1 A 44 44 SER CA C 186 56.329 56.740 -0.411 1 1 446 . 2 1 1 A 44 44 SER CB C 186 65.440 63.780 1.660 1 1 447 . 2 1 1 A 44 44 SER N N 186 111.769 114.938 -3.169 1 1 448 . 2 1 1 A 45 45 PRO HA H 187 4.522 4.195 0.327 1 1 455 . 2 1 1 A 45 45 PRO C C 187 179.929 177.986 1.943 1 1 456 . 2 1 1 A 45 45 PRO CA C 187 65.133 65.706 -0.573 1 1 457 . 2 1 1 A 45 45 PRO CB C 187 32.682 31.678 1.004 1 1 459 . 2 1 1 A 46 46 ALA H H 188 8.492 7.855 0.637 1 1 460 . 2 1 1 A 46 46 ALA HA H 188 4.378 3.991 0.387 1 1 464 . 2 1 1 A 46 46 ALA C C 188 175.528 180.049 -4.521 1 1 465 . 2 1 1 A 46 46 ALA CA C 188 54.584 55.413 -0.829 1 1 466 . 2 1 1 A 46 46 ALA CB C 188 19.714 18.118 1.596 1 1 467 . 2 1 1 A 46 46 ALA N N 188 118.684 118.753 -0.069 1 1 468 . 2 1 1 A 47 47 GLU H H 189 8.266 8.081 0.185 1 1 469 . 2 1 1 A 47 47 GLU HA H 189 3.881 3.971 -0.090 1 1 472 . 2 1 1 A 47 47 GLU C C 189 173.891 178.158 -4.267 1 1 473 . 2 1 1 A 47 47 GLU CA C 189 59.881 59.304 0.577 1 1 474 . 2 1 1 A 47 47 GLU CB C 189 29.830 29.684 0.146 1 1 475 . 2 1 1 A 47 47 GLU N N 189 122.834 118.395 4.439 1 1 476 . 2 1 1 A 48 48 ALA H H 190 8.378 8.489 -0.111 1 1 477 . 2 1 1 A 48 48 ALA HA H 190 4.228 4.048 0.180 1 1 481 . 2 1 1 A 48 48 ALA C C 190 178.612 179.865 -1.253 1 1 482 . 2 1 1 A 48 48 ALA CA C 190 54.522 54.771 -0.249 1 1 483 . 2 1 1 A 48 48 ALA CB C 190 17.980 18.471 -0.491 1 1 484 . 2 1 1 A 48 48 ALA N N 190 122.847 122.154 0.693 1 1 485 . 2 1 1 A 49 49 SER H H 191 7.949 7.325 0.624 1 1 486 . 2 1 1 A 49 49 SER HA H 191 4.544 4.501 0.043 1 1 489 . 2 1 1 A 49 49 SER C C 191 174.409 174.703 -0.294 1 1 490 . 2 1 1 A 49 49 SER CA C 191 59.717 58.648 1.069 1 1 491 . 2 1 1 A 49 49 SER CB C 191 64.762 63.605 1.157 1 1 492 . 2 1 1 A 49 49 SER N N 191 112.314 110.698 1.616 1 1 493 . 2 1 1 A 50 50 GLY H H 192 7.604 8.147 -0.543 1 1 494 . 2 1 1 A 50 50 GLY HA2 H 192 4.427 4.044 0.383 1 1 495 . 2 1 1 A 50 50 GLY HA3 H 192 3.714 4.045 -0.331 1 1 496 . 2 1 1 A 50 50 GLY C C 192 173.516 174.461 -0.945 1 1 497 . 2 1 1 A 50 50 GLY CA C 192 44.654 45.071 -0.417 1 1 498 . 2 1 1 A 50 50 GLY N N 192 107.849 108.920 -1.071 1 1 499 . 2 1 1 A 51 51 LEU H H 193 7.268 8.278 -1.010 1 1 500 . 2 1 1 A 51 51 LEU HA H 193 3.969 4.446 -0.477 1 1 510 . 2 1 1 A 51 51 LEU C C 193 174.799 175.774 -0.975 1 1 511 . 2 1 1 A 51 51 LEU CA C 193 55.198 55.215 -0.017 1 1 512 . 2 1 1 A 51 51 LEU CB C 193 43.724 42.816 0.908 1 1 515 . 2 1 1 A 51 51 LEU N N 193 124.317 123.325 0.992 1 1 516 . 2 1 1 A 52 52 ARG H H 194 8.891 9.055 -0.164 1 1 517 . 2 1 1 A 52 52 ARG HA H 194 4.613 5.104 -0.491 1 1 521 . 2 1 1 A 52 52 ARG C C 194 174.936 175.610 -0.674 1 1 522 . 2 1 1 A 52 52 ARG CA C 194 54.127 53.889 0.238 1 1 523 . 2 1 1 A 52 52 ARG CB C 194 34.156 33.740 0.416 1 1 524 . 2 1 1 A 52 52 ARG N N 194 124.468 125.290 -0.822 1 1 525 . 2 1 1 A 53 53 ALA H H 195 8.677 8.579 0.098 1 1 526 . 2 1 1 A 53 53 ALA HA H 195 3.682 4.046 -0.364 1 1 530 . 2 1 1 A 53 53 ALA C C 195 178.524 178.232 0.292 1 1 531 . 2 1 1 A 53 53 ALA CA C 195 53.523 52.824 0.699 1 1 532 . 2 1 1 A 53 53 ALA CB C 195 17.963 19.216 -1.253 1 1 533 . 2 1 1 A 53 53 ALA N N 195 122.213 127.517 -5.304 1 1 534 . 2 1 1 A 54 54 GLN H H 196 9.490 9.026 0.464 1 1 535 . 2 1 1 A 54 54 GLN HA H 196 4.032 4.372 -0.340 1 1 541 . 2 1 1 A 54 54 GLN C C 196 174.503 174.531 -0.028 1 1 542 . 2 1 1 A 54 54 GLN CA C 196 58.036 57.780 0.256 1 1 543 . 2 1 1 A 54 54 GLN CB C 196 26.208 27.049 -0.841 1 1 544 . 2 1 1 A 54 54 GLN N N 196 115.882 115.898 -0.016 1 1 546 . 2 1 1 A 55 55 ASP H H 197 7.798 7.805 -0.007 1 1 547 . 2 1 1 A 55 55 ASP HA H 197 4.757 5.037 -0.280 1 1 550 . 2 1 1 A 55 55 ASP C C 197 174.629 175.822 -1.193 1 1 551 . 2 1 1 A 55 55 ASP CA C 197 55.315 54.163 1.152 1 1 552 . 2 1 1 A 55 55 ASP CB C 197 41.416 41.813 -0.397 1 1 553 . 2 1 1 A 55 55 ASP N N 197 121.039 119.219 1.820 1 1 554 . 2 1 1 A 56 56 ARG H H 198 8.938 8.706 0.232 1 1 555 . 2 1 1 A 56 56 ARG HA H 198 4.430 4.723 -0.293 1 1 557 . 2 1 1 A 56 56 ARG C C 198 174.400 175.575 -1.175 1 1 558 . 2 1 1 A 56 56 ARG CA C 198 54.273 55.798 -1.525 1 1 559 . 2 1 1 A 56 56 ARG CB C 198 32.499 30.536 1.963 1 1 560 . 2 1 1 A 56 56 ARG N N 198 122.032 122.190 -0.158 1 1 561 . 2 1 1 A 57 57 ILE H H 199 8.179 8.674 -0.495 1 1 562 . 2 1 1 A 57 57 ILE HA H 199 3.746 4.116 -0.370 1 1 572 . 2 1 1 A 57 57 ILE C C 199 174.272 175.877 -1.605 1 1 573 . 2 1 1 A 57 57 ILE CA C 199 62.349 62.370 -0.021 1 1 574 . 2 1 1 A 57 57 ILE CB C 199 38.071 37.725 0.346 1 1 578 . 2 1 1 A 57 57 ILE N N 199 124.246 126.569 -2.323 1 1 579 . 2 1 1 A 58 58 VAL H H 200 9.389 9.706 -0.317 1 1 580 . 2 1 1 A 58 58 VAL HA H 200 4.107 4.130 -0.023 1 1 588 . 2 1 1 A 58 58 VAL C C 200 176.755 176.249 0.506 1 1 589 . 2 1 1 A 58 58 VAL CA C 200 63.067 63.752 -0.685 1 1 590 . 2 1 1 A 58 58 VAL CB C 200 32.894 32.815 0.079 1 1 592 . 2 1 1 A 58 58 VAL N N 200 127.780 128.037 -0.257 1 1 593 . 2 1 1 A 59 59 GLU H H 201 7.850 7.511 0.339 1 1 594 . 2 1 1 A 59 59 GLU HA H 201 5.126 5.015 0.111 1 1 598 . 2 1 1 A 59 59 GLU C C 201 175.123 173.821 1.302 1 1 599 . 2 1 1 A 59 59 GLU CA C 201 54.610 55.023 -0.413 1 1 600 . 2 1 1 A 59 59 GLU CB C 201 34.407 32.640 1.767 1 1 602 . 2 1 1 A 59 59 GLU N N 201 116.847 115.860 0.987 1 1 603 . 2 1 1 A 60 60 VAL H H 202 8.110 8.427 -0.317 1 1 604 . 2 1 1 A 60 60 VAL HA H 202 4.433 4.419 0.014 1 1 612 . 2 1 1 A 60 60 VAL C C 202 175.772 176.183 -0.411 1 1 613 . 2 1 1 A 60 60 VAL CA C 202 60.952 61.464 -0.512 1 1 614 . 2 1 1 A 60 60 VAL CB C 202 33.802 34.169 -0.367 1 1 616 . 2 1 1 A 60 60 VAL N N 202 118.751 119.443 -0.692 1 1 617 . 2 1 1 A 61 61 ASN H H 203 9.900 9.828 0.072 1 1 618 . 2 1 1 A 61 61 ASN HA H 203 4.312 4.401 -0.089 1 1 621 . 2 1 1 A 61 61 ASN C C 203 174.718 174.444 0.274 1 1 622 . 2 1 1 A 61 61 ASN CA C 203 54.260 54.125 0.135 1 1 623 . 2 1 1 A 61 61 ASN CB C 203 36.965 37.478 -0.513 1 1 624 . 2 1 1 A 61 61 ASN N N 203 128.765 125.690 3.075 1 1 625 . 2 1 1 A 62 62 GLY H H 204 9.192 8.277 0.915 1 1 626 . 2 1 1 A 62 62 GLY HA2 H 204 3.979 3.935 0.044 1 1 627 . 2 1 1 A 62 62 GLY HA3 H 204 3.734 3.936 -0.202 1 1 628 . 2 1 1 A 62 62 GLY C C 204 173.240 174.522 -1.282 1 1 629 . 2 1 1 A 62 62 GLY CA C 204 44.996 45.104 -0.108 1 1 630 . 2 1 1 A 62 62 GLY N N 204 103.295 104.592 -1.297 1 1 631 . 2 1 1 A 63 63 VAL H H 205 7.792 7.385 0.407 1 1 632 . 2 1 1 A 63 63 VAL HA H 205 4.085 4.203 -0.118 1 1 637 . 2 1 1 A 63 63 VAL C C 205 174.605 174.665 -0.060 1 1 638 . 2 1 1 A 63 63 VAL CA C 205 61.373 61.343 0.030 1 1 639 . 2 1 1 A 63 63 VAL CB C 205 32.623 31.459 1.164 1 1 642 . 2 1 1 A 63 63 VAL N N 205 122.193 119.316 2.877 1 1 643 . 2 1 1 A 64 64 CYS H H 206 8.878 8.517 0.361 1 1 644 . 2 1 1 A 64 64 CYS HA H 206 4.265 4.716 -0.451 1 1 647 . 2 1 1 A 64 64 CYS C C 206 176.086 173.959 2.127 1 1 648 . 2 1 1 A 64 64 CYS CA C 206 61.148 58.103 3.045 1 1 649 . 2 1 1 A 64 64 CYS CB C 206 27.938 27.793 0.145 1 1 650 . 2 1 1 A 64 64 CYS N N 206 128.575 127.797 0.778 1 1 651 . 2 1 1 A 65 65 MET H H 207 8.413 8.628 -0.215 1 1 652 . 2 1 1 A 65 65 MET HA H 207 4.877 5.132 -0.255 1 1 654 . 2 1 1 A 65 65 MET CA C 207 52.697 54.414 -1.717 1 1 655 . 2 1 1 A 65 65 MET CB C 207 33.908 34.962 -1.054 1 1 656 . 2 1 1 A 65 65 MET N N 207 125.926 126.983 -1.057 1 1 657 . 2 1 1 A 66 66 GLU H H 208 8.768 8.740 0.028 1 1 658 . 2 1 1 A 66 66 GLU HA H 208 4.187 4.066 0.121 1 1 662 . 2 1 1 A 66 66 GLU C C 208 177.644 176.939 0.705 1 1 663 . 2 1 1 A 66 66 GLU CA C 208 58.586 57.877 0.709 1 1 664 . 2 1 1 A 66 66 GLU CB C 208 28.916 29.576 -0.660 1 1 665 . 2 1 1 A 67 67 GLY H H 209 9.144 8.882 0.262 1 1 666 . 2 1 1 A 67 67 GLY HA2 H 209 4.156 3.948 0.208 1 1 667 . 2 1 1 A 67 67 GLY HA3 H 209 3.746 3.957 -0.211 1 1 668 . 2 1 1 A 67 67 GLY C C 209 173.880 174.875 -0.995 1 1 669 . 2 1 1 A 67 67 GLY CA C 209 45.339 45.136 0.203 1 1 670 . 2 1 1 A 67 67 GLY N N 209 114.503 114.846 -0.343 1 1 671 . 2 1 1 A 68 68 LYS H H 210 7.585 7.197 0.388 1 1 672 . 2 1 1 A 68 68 LYS HA H 210 4.550 4.200 0.350 1 1 675 . 2 1 1 A 68 68 LYS C C 210 176.239 175.631 0.608 1 1 676 . 2 1 1 A 68 68 LYS CA C 210 54.802 56.511 -1.709 1 1 677 . 2 1 1 A 68 68 LYS CB C 210 32.493 33.560 -1.067 1 1 679 . 2 1 1 A 68 68 LYS N N 210 119.299 120.128 -0.829 1 1 680 . 2 1 1 A 69 69 GLN H H 211 9.176 8.761 0.415 1 1 681 . 2 1 1 A 69 69 GLN HA H 211 4.534 4.495 0.039 1 1 688 . 2 1 1 A 69 69 GLN C C 211 176.499 177.306 -0.807 1 1 689 . 2 1 1 A 69 69 GLN CA C 211 54.286 54.578 -0.292 1 1 690 . 2 1 1 A 69 69 GLN CB C 211 30.414 30.268 0.146 1 1 692 . 2 1 1 A 69 69 GLN N N 211 119.518 120.295 -0.777 1 1 694 . 2 1 1 A 70 70 HIS H H 212 9.097 9.073 0.024 1 1 695 . 2 1 1 A 70 70 HIS HA H 212 3.866 4.017 -0.151 1 1 698 . 2 1 1 A 70 70 HIS C C 212 176.987 176.987 0.000 1 1 699 . 2 1 1 A 70 70 HIS CA C 212 61.326 59.586 1.740 1 1 700 . 2 1 1 A 70 70 HIS CB C 212 30.480 30.309 0.171 1 1 701 . 2 1 1 A 70 70 HIS N N 212 122.474 123.032 -0.558 1 1 702 . 2 1 1 A 71 71 GLY H H 213 9.138 8.588 0.550 1 1 703 . 2 1 1 A 71 71 GLY HA2 H 213 3.930 3.697 0.233 1 1 704 . 2 1 1 A 71 71 GLY HA3 H 213 3.693 3.710 -0.017 1 1 705 . 2 1 1 A 71 71 GLY C C 213 176.374 176.159 0.215 1 1 706 . 2 1 1 A 71 71 GLY CA C 213 46.837 47.052 -0.215 1 1 707 . 2 1 1 A 71 71 GLY N N 213 103.821 106.525 -2.704 1 1 708 . 2 1 1 A 72 72 ASP H H 214 7.344 7.804 -0.460 1 1 709 . 2 1 1 A 72 72 ASP HA H 214 4.499 4.320 0.179 1 1 712 . 2 1 1 A 72 72 ASP C C 214 178.391 178.774 -0.383 1 1 713 . 2 1 1 A 72 72 ASP CA C 214 56.650 56.627 0.023 1 1 714 . 2 1 1 A 72 72 ASP CB C 214 41.284 40.915 0.369 1 1 715 . 2 1 1 A 72 72 ASP N N 214 120.357 122.503 -2.146 1 1 716 . 2 1 1 A 73 73 VAL H H 215 7.697 8.395 -0.698 1 1 717 . 2 1 1 A 73 73 VAL HA H 215 3.804 3.539 0.265 1 1 725 . 2 1 1 A 73 73 VAL C C 215 177.258 178.678 -1.420 1 1 726 . 2 1 1 A 73 73 VAL CA C 215 65.957 66.337 -0.380 1 1 727 . 2 1 1 A 73 73 VAL CB C 215 31.411 31.409 0.002 1 1 730 . 2 1 1 A 73 73 VAL N N 215 123.318 120.272 3.046 1 1 731 . 2 1 1 A 74 74 VAL H H 216 8.144 8.726 -0.582 1 1 732 . 2 1 1 A 74 74 VAL HA H 216 3.474 3.443 0.031 1 1 740 . 2 1 1 A 74 74 VAL C C 216 178.839 177.988 0.851 1 1 741 . 2 1 1 A 74 74 VAL CA C 216 66.866 66.357 0.509 1 1 742 . 2 1 1 A 74 74 VAL CB C 216 31.496 31.497 -0.001 1 1 745 . 2 1 1 A 74 74 VAL N N 216 118.785 121.190 -2.405 1 1 746 . 2 1 1 A 75 75 SER H H 217 8.153 8.354 -0.201 1 1 747 . 2 1 1 A 75 75 SER HA H 217 4.131 4.130 0.001 1 1 750 . 2 1 1 A 75 75 SER C C 217 176.246 176.415 -0.169 1 1 751 . 2 1 1 A 75 75 SER CA C 217 62.198 61.880 0.318 1 1 752 . 2 1 1 A 75 75 SER CB C 217 65.986 62.976 3.010 1 1 753 . 2 1 1 A 75 75 SER N N 217 115.428 115.355 0.073 1 1 754 . 2 1 1 A 76 76 ALA H H 218 7.873 8.285 -0.412 1 1 755 . 2 1 1 A 76 76 ALA HA H 218 4.220 4.117 0.103 1 1 759 . 2 1 1 A 76 76 ALA C C 218 180.251 179.881 0.370 1 1 760 . 2 1 1 A 76 76 ALA CA C 218 54.649 55.176 -0.527 1 1 761 . 2 1 1 A 76 76 ALA CB C 218 17.519 18.107 -0.588 1 1 762 . 2 1 1 A 76 76 ALA N N 218 125.449 122.954 2.495 1 1 763 . 2 1 1 A 77 77 ILE H H 219 8.357 7.911 0.446 1 1 764 . 2 1 1 A 77 77 ILE HA H 219 3.511 3.619 -0.108 1 1 774 . 2 1 1 A 77 77 ILE C C 219 181.394 178.318 3.076 1 1 775 . 2 1 1 A 77 77 ILE CA C 219 65.003 64.995 0.008 1 1 776 . 2 1 1 A 77 77 ILE CB C 219 38.374 37.300 1.074 1 1 779 . 2 1 1 A 77 77 ILE N N 219 119.293 117.747 1.546 1 1 780 . 2 1 1 A 78 78 ARG H H 220 8.817 7.711 1.106 1 1 781 . 2 1 1 A 78 78 ARG HA H 220 4.162 4.094 0.068 1 1 786 . 2 1 1 A 78 78 ARG C C 220 178.163 178.077 0.086 1 1 787 . 2 1 1 A 78 78 ARG CA C 220 59.499 59.396 0.103 1 1 788 . 2 1 1 A 78 78 ARG CB C 220 30.018 30.147 -0.129 1 1 790 . 2 1 1 A 78 78 ARG N N 220 124.633 123.411 1.222 1 1 791 . 2 1 1 A 79 79 ALA H H 221 8.207 8.066 0.141 1 1 792 . 2 1 1 A 79 79 ALA HA H 221 4.223 4.224 -0.001 1 1 796 . 2 1 1 A 79 79 ALA C C 221 178.343 178.591 -0.248 1 1 797 . 2 1 1 A 79 79 ALA CA C 221 54.107 52.744 1.363 1 1 798 . 2 1 1 A 79 79 ALA CB C 221 18.055 18.664 -0.609 1 1 799 . 2 1 1 A 79 79 ALA N N 221 120.984 120.637 0.347 1 1 800 . 2 1 1 A 80 80 GLY H H 222 7.239 8.017 -0.778 1 1 801 . 2 1 1 A 80 80 GLY HA2 H 222 4.287 3.957 0.330 1 1 802 . 2 1 1 A 80 80 GLY C C 222 174.203 174.533 -0.330 1 1 803 . 2 1 1 A 80 80 GLY CA C 222 44.921 45.255 -0.334 1 1 804 . 2 1 1 A 80 80 GLY N N 222 102.308 107.722 -5.414 1 1 805 . 2 1 1 A 81 81 GLY H H 223 7.873 8.184 -0.311 1 1 806 . 2 1 1 A 81 81 GLY HA2 H 223 4.229 3.834 0.395 1 1 807 . 2 1 1 A 81 81 GLY HA3 H 223 3.735 3.838 -0.103 1 1 808 . 2 1 1 A 81 81 GLY C C 223 174.031 174.984 -0.953 1 1 809 . 2 1 1 A 81 81 GLY CA C 223 46.465 46.875 -0.410 1 1 810 . 2 1 1 A 81 81 GLY N N 223 107.624 107.346 0.278 1 1 811 . 2 1 1 A 82 82 ASP H H 224 9.157 8.735 0.422 1 1 812 . 2 1 1 A 82 82 ASP HA H 224 4.625 4.588 0.037 1 1 815 . 2 1 1 A 82 82 ASP C C 224 173.254 175.799 -2.545 1 1 816 . 2 1 1 A 82 82 ASP CA C 224 54.408 55.049 -0.641 1 1 817 . 2 1 1 A 82 82 ASP CB C 224 40.829 41.609 -0.780 1 1 818 . 2 1 1 A 82 82 ASP N N 224 128.466 126.375 2.091 1 1 819 . 2 1 1 A 83 83 GLU H H 225 7.479 7.603 -0.124 1 1 820 . 2 1 1 A 83 83 GLU HA H 225 5.454 4.792 0.662 1 1 825 . 2 1 1 A 83 83 GLU C C 225 175.120 175.207 -0.087 1 1 826 . 2 1 1 A 83 83 GLU CA C 225 54.723 55.205 -0.482 1 1 827 . 2 1 1 A 83 83 GLU CB C 225 33.927 31.805 2.122 1 1 829 . 2 1 1 A 83 83 GLU N N 225 118.419 120.146 -1.727 1 1 830 . 2 1 1 A 84 84 THR H H 226 8.759 9.356 -0.597 1 1 831 . 2 1 1 A 84 84 THR HA H 226 4.680 4.825 -0.145 1 1 836 . 2 1 1 A 84 84 THR C C 226 170.497 173.726 -3.229 1 1 837 . 2 1 1 A 84 84 THR CA C 226 62.538 61.950 0.588 1 1 838 . 2 1 1 A 84 84 THR CB C 226 70.389 69.009 1.380 1 1 840 . 2 1 1 A 84 84 THR N N 226 116.177 122.422 -6.245 1 1 841 . 2 1 1 A 85 85 LYS H H 227 7.829 8.891 -1.062 1 1 842 . 2 1 1 A 85 85 LYS HA H 227 5.085 4.632 0.453 1 1 847 . 2 1 1 A 85 85 LYS C C 227 174.884 175.237 -0.353 1 1 848 . 2 1 1 A 85 85 LYS CA C 227 54.338 56.107 -1.769 1 1 849 . 2 1 1 A 85 85 LYS CB C 227 34.154 32.431 1.723 1 1 853 . 2 1 1 A 85 85 LYS N N 227 125.540 127.158 -1.618 1 1 854 . 2 1 1 A 86 86 LEU H H 228 8.977 9.040 -0.063 1 1 855 . 2 1 1 A 86 86 LEU HA H 228 5.049 5.101 -0.052 1 1 864 . 2 1 1 A 86 86 LEU C C 228 174.337 174.890 -0.553 1 1 865 . 2 1 1 A 86 86 LEU CA C 228 52.201 53.428 -1.227 1 1 866 . 2 1 1 A 86 86 LEU CB C 228 44.238 43.158 1.080 1 1 867 . 2 1 1 A 86 86 LEU N N 228 125.294 126.381 -1.087 1 1 868 . 2 1 1 A 87 87 LEU H H 229 8.619 8.611 0.008 1 1 869 . 2 1 1 A 87 87 LEU HA H 229 5.244 5.169 0.075 1 1 875 . 2 1 1 A 87 87 LEU C C 229 175.951 175.848 0.103 1 1 876 . 2 1 1 A 87 87 LEU CA C 229 53.857 53.588 0.269 1 1 877 . 2 1 1 A 87 87 LEU CB C 229 43.711 44.298 -0.587 1 1 878 . 2 1 1 A 87 87 LEU N N 229 128.223 127.543 0.680 1 1 879 . 2 1 1 A 88 88 VAL H H 230 9.291 8.838 0.453 1 1 880 . 2 1 1 A 88 88 VAL HA H 230 5.627 5.497 0.130 1 1 888 . 2 1 1 A 88 88 VAL C C 230 174.077 174.553 -0.476 1 1 889 . 2 1 1 A 88 88 VAL CA C 230 58.217 59.430 -1.213 1 1 890 . 2 1 1 A 88 88 VAL CB C 230 36.697 35.799 0.898 1 1 893 . 2 1 1 A 88 88 VAL N N 230 120.780 121.083 -0.303 1 1 894 . 2 1 1 A 89 89 VAL H H 231 8.241 8.524 -0.283 1 1 895 . 2 1 1 A 89 89 VAL HA H 231 4.814 4.701 0.113 1 1 903 . 2 1 1 A 89 89 VAL C C 231 174.661 175.101 -0.440 1 1 904 . 2 1 1 A 89 89 VAL CA C 231 58.524 60.638 -2.114 1 1 905 . 2 1 1 A 89 89 VAL CB C 231 35.588 35.013 0.575 1 1 908 . 2 1 1 A 89 89 VAL N N 231 110.935 121.225 -10.290 1 1 909 . 2 1 1 A 90 90 ASP H H 232 7.841 8.618 -0.777 1 1 910 . 2 1 1 A 90 90 ASP HA H 232 4.883 4.662 0.221 1 1 913 . 2 1 1 A 90 90 ASP C C 232 175.406 176.719 -1.313 1 1 914 . 2 1 1 A 90 90 ASP CA C 232 52.420 54.118 -1.698 1 1 915 . 2 1 1 A 90 90 ASP CB C 232 41.621 41.046 0.575 1 1 916 . 2 1 1 A 90 90 ASP N N 232 122.442 126.502 -4.060 1 1 917 . 2 1 1 A 91 91 ARG H H 233 8.780 8.981 -0.201 1 1 918 . 2 1 1 A 91 91 ARG HA H 233 4.228 4.357 -0.129 1 1 921 . 2 1 1 A 91 91 ARG C C 233 177.865 178.590 -0.725 1 1 922 . 2 1 1 A 91 91 ARG CA C 233 58.821 58.239 0.582 1 1 923 . 2 1 1 A 91 91 ARG CB C 233 29.977 30.379 -0.402 1 1 925 . 2 1 1 A 91 91 ARG N N 233 120.292 127.125 -6.833 1 1 926 . 2 1 1 A 92 92 GLU H H 234 8.663 7.683 0.980 1 1 927 . 2 1 1 A 92 92 GLU HA H 234 4.071 4.052 0.019 1 1 932 . 2 1 1 A 92 92 GLU C C 234 178.395 179.395 -1.000 1 1 933 . 2 1 1 A 92 92 GLU CA C 234 59.115 59.307 -0.192 1 1 934 . 2 1 1 A 92 92 GLU CB C 234 29.131 29.604 -0.473 1 1 936 . 2 1 1 A 92 92 GLU N N 234 119.448 119.542 -0.094 1 1 937 . 2 1 1 A 93 93 THR H H 235 8.255 7.958 0.297 1 1 938 . 2 1 1 A 93 93 THR HA H 235 3.975 4.062 -0.087 1 1 943 . 2 1 1 A 93 93 THR C C 235 175.146 175.876 -0.730 1 1 944 . 2 1 1 A 93 93 THR CA C 235 65.516 66.636 -1.120 1 1 945 . 2 1 1 A 93 93 THR CB C 235 68.363 68.067 0.296 1 1 947 . 2 1 1 A 93 93 THR N N 235 117.260 116.756 0.504 1 1 948 . 2 1 1 A 94 94 ASP H H 236 8.302 8.328 -0.026 1 1 949 . 2 1 1 A 94 94 ASP HA H 236 4.557 4.511 0.046 1 1 952 . 2 1 1 A 94 94 ASP C C 236 177.739 177.530 0.209 1 1 953 . 2 1 1 A 94 94 ASP CA C 236 55.460 56.811 -1.351 1 1 954 . 2 1 1 A 94 94 ASP CB C 236 41.093 40.961 0.132 1 1 955 . 2 1 1 A 94 94 ASP N N 236 122.075 121.438 0.637 1 1 956 . 2 1 1 A 95 95 GLU H H 237 8.084 8.143 -0.059 1 1 957 . 2 1 1 A 95 95 GLU HA H 237 4.032 4.379 -0.347 1 1 961 . 2 1 1 A 95 95 GLU C C 237 176.899 178.844 -1.945 1 1 962 . 2 1 1 A 95 95 GLU CA C 237 57.612 58.200 -0.588 1 1 963 . 2 1 1 A 95 95 GLU CB C 237 29.393 30.633 -1.240 1 1 965 . 2 1 1 A 95 95 GLU N N 237 117.733 117.296 0.437 1 1 966 . 2 1 1 A 96 96 PHE H H 238 7.927 8.173 -0.246 1 1 967 . 2 1 1 A 96 96 PHE HA H 238 4.363 4.295 0.068 1 1 974 . 2 1 1 A 96 96 PHE C C 238 175.655 177.342 -1.687 1 1 975 . 2 1 1 A 96 96 PHE CA C 238 59.139 61.664 -2.525 1 1 976 . 2 1 1 A 96 96 PHE CB C 238 39.723 39.584 0.139 1 1 977 . 2 1 1 A 96 96 PHE N N 238 119.312 122.224 -2.912 1 1 978 . 2 1 1 A 97 97 PHE H H 239 7.896 8.327 -0.431 1 1 979 . 2 1 1 A 97 97 PHE HA H 239 4.506 4.045 0.461 1 1 986 . 2 1 1 A 97 97 PHE C C 239 174.173 177.454 -3.281 1 1 987 . 2 1 1 A 97 97 PHE CA C 239 58.034 61.365 -3.331 1 1 988 . 2 1 1 A 97 97 PHE CB C 239 39.447 39.244 0.203 1 1 989 . 2 1 1 A 97 97 PHE N N 239 119.260 120.084 -0.824 1 1 1 . 3 1 1 A 2 2 ILE HA H 144 4.171 4.842 -0.671 1 1 11 . 3 1 1 A 2 2 ILE C C 144 175.446 173.990 1.456 1 1 12 . 3 1 1 A 2 2 ILE CA C 144 60.547 59.295 1.252 1 1 13 . 3 1 1 A 2 2 ILE CB C 144 38.500 40.983 -2.483 1 1 17 . 3 1 1 A 3 3 ASP H H 145 8.584 8.491 0.093 1 1 18 . 3 1 1 A 3 3 ASP HA H 145 4.879 4.576 0.303 1 1 21 . 3 1 1 A 3 3 ASP CA C 145 51.583 52.226 -0.643 1 1 22 . 3 1 1 A 3 3 ASP CB C 145 41.044 41.685 -0.641 1 1 23 . 3 1 1 A 3 3 ASP N N 145 127.098 128.462 -1.364 1 1 24 . 3 1 1 A 4 4 PRO HA H 146 4.290 4.352 -0.062 1 1 31 . 3 1 1 A 4 4 PRO C C 146 176.840 178.134 -1.294 1 1 32 . 3 1 1 A 4 4 PRO CA C 146 63.386 65.731 -2.345 1 1 33 . 3 1 1 A 4 4 PRO CB C 146 31.799 31.644 0.155 1 1 36 . 3 1 1 A 5 5 PHE H H 147 8.323 7.643 0.680 1 1 37 . 3 1 1 A 5 5 PHE HA H 147 4.550 4.284 0.266 1 1 44 . 3 1 1 A 5 5 PHE C C 147 176.081 175.514 0.567 1 1 45 . 3 1 1 A 5 5 PHE CA C 147 58.224 60.885 -2.661 1 1 46 . 3 1 1 A 5 5 PHE CB C 147 38.571 40.709 -2.138 1 1 47 . 3 1 1 A 5 5 PHE N N 147 118.510 118.170 0.340 1 1 48 . 3 1 1 A 6 6 THR H H 148 7.769 8.340 -0.571 1 1 49 . 3 1 1 A 6 6 THR HA H 148 4.195 4.608 -0.413 1 1 54 . 3 1 1 A 6 6 THR C C 148 173.870 172.867 1.003 1 1 55 . 3 1 1 A 6 6 THR CA C 148 62.114 61.245 0.869 1 1 56 . 3 1 1 A 6 6 THR CB C 148 69.325 70.505 -1.180 1 1 58 . 3 1 1 A 6 6 THR N N 148 114.321 106.915 7.406 1 1 59 . 3 1 1 A 7 7 MET H H 149 8.101 8.775 -0.674 1 1 60 . 3 1 1 A 7 7 MET HA H 149 4.438 4.703 -0.265 1 1 65 . 3 1 1 A 7 7 MET C C 149 175.544 176.268 -0.724 1 1 66 . 3 1 1 A 7 7 MET CA C 149 55.218 56.481 -1.263 1 1 67 . 3 1 1 A 7 7 MET CB C 149 32.224 35.220 -2.996 1 1 69 . 3 1 1 A 7 7 MET N N 149 121.779 120.367 1.412 1 1 70 . 3 1 1 A 8 8 LEU H H 150 8.110 8.022 0.088 1 1 71 . 3 1 1 A 8 8 LEU HA H 150 4.467 4.567 -0.100 1 1 81 . 3 1 1 A 8 8 LEU C C 150 175.439 176.123 -0.684 1 1 82 . 3 1 1 A 8 8 LEU CA C 150 54.333 54.329 0.004 1 1 83 . 3 1 1 A 8 8 LEU CB C 150 40.631 43.973 -3.342 1 1 86 . 3 1 1 A 8 8 LEU N N 150 123.383 118.841 4.542 1 1 87 . 3 1 1 A 9 9 ARG H H 151 7.900 7.393 0.507 1 1 88 . 3 1 1 A 9 9 ARG HA H 151 4.769 4.455 0.314 1 1 93 . 3 1 1 A 9 9 ARG CA C 151 52.792 55.266 -2.474 1 1 94 . 3 1 1 A 9 9 ARG CB C 151 30.717 30.190 0.527 1 1 96 . 3 1 1 A 9 9 ARG N N 151 119.907 118.662 1.245 1 1 97 . 3 1 1 A 10 10 PRO HA H 152 4.546 4.908 -0.362 1 1 104 . 3 1 1 A 10 10 PRO C C 152 175.520 176.212 -0.692 1 1 105 . 3 1 1 A 10 10 PRO CA C 152 62.580 62.445 0.135 1 1 106 . 3 1 1 A 10 10 PRO CB C 152 31.507 32.626 -1.119 1 1 109 . 3 1 1 A 11 11 ARG H H 153 8.987 9.108 -0.121 1 1 110 . 3 1 1 A 11 11 ARG HA H 153 4.462 4.714 -0.252 1 1 113 . 3 1 1 A 11 11 ARG C C 153 173.260 175.020 -1.760 1 1 114 . 3 1 1 A 11 11 ARG CA C 153 54.652 55.583 -0.931 1 1 115 . 3 1 1 A 11 11 ARG CB C 153 32.449 31.962 0.487 1 1 116 . 3 1 1 A 11 11 ARG N N 153 122.642 121.746 0.896 1 1 117 . 3 1 1 A 12 12 LEU H H 154 8.675 8.510 0.165 1 1 118 . 3 1 1 A 12 12 LEU HA H 154 4.926 4.847 0.079 1 1 127 . 3 1 1 A 12 12 LEU C C 154 176.282 175.266 1.016 1 1 128 . 3 1 1 A 12 12 LEU CA C 154 53.222 54.080 -0.858 1 1 129 . 3 1 1 A 12 12 LEU CB C 154 42.382 43.547 -1.165 1 1 132 . 3 1 1 A 12 12 LEU N N 154 125.776 125.043 0.733 1 1 133 . 3 1 1 A 13 13 CYS H H 155 9.509 9.504 0.005 1 1 134 . 3 1 1 A 13 13 CYS HA H 155 4.762 5.612 -0.850 1 1 137 . 3 1 1 A 13 13 CYS C C 155 173.211 173.499 -0.288 1 1 138 . 3 1 1 A 13 13 CYS CA C 155 57.646 56.794 0.852 1 1 139 . 3 1 1 A 13 13 CYS CB C 155 28.495 30.556 -2.061 1 1 140 . 3 1 1 A 13 13 CYS N N 155 130.053 126.730 3.323 1 1 141 . 3 1 1 A 14 14 THR H H 156 8.979 9.225 -0.246 1 1 142 . 3 1 1 A 14 14 THR HA H 156 4.927 4.944 -0.017 1 1 147 . 3 1 1 A 14 14 THR C C 156 172.990 173.891 -0.901 1 1 148 . 3 1 1 A 14 14 THR CA C 156 61.216 61.815 -0.599 1 1 149 . 3 1 1 A 14 14 THR CB C 156 69.306 70.606 -1.300 1 1 151 . 3 1 1 A 14 14 THR N N 156 122.811 122.142 0.669 1 1 152 . 3 1 1 A 15 15 MET H H 157 8.889 9.049 -0.160 1 1 153 . 3 1 1 A 15 15 MET HA H 157 5.006 5.511 -0.505 1 1 157 . 3 1 1 A 15 15 MET C C 157 176.000 175.212 0.788 1 1 158 . 3 1 1 A 15 15 MET CA C 157 54.167 53.195 0.972 1 1 159 . 3 1 1 A 15 15 MET CB C 157 39.030 35.354 3.676 1 1 160 . 3 1 1 A 15 15 MET N N 157 121.855 124.340 -2.485 1 1 161 . 3 1 1 A 16 16 LYS H H 158 8.614 8.846 -0.232 1 1 162 . 3 1 1 A 16 16 LYS HA H 158 5.262 4.826 0.436 1 1 167 . 3 1 1 A 16 16 LYS C C 158 175.677 176.948 -1.271 1 1 168 . 3 1 1 A 16 16 LYS CA C 158 54.283 55.273 -0.990 1 1 169 . 3 1 1 A 16 16 LYS CB C 158 34.677 33.352 1.325 1 1 172 . 3 1 1 A 16 16 LYS N N 158 122.373 121.967 0.406 1 1 173 . 3 1 1 A 17 17 LYS H H 159 8.519 9.666 -1.147 1 1 174 . 3 1 1 A 17 17 LYS HA H 159 3.208 3.579 -0.371 1 1 179 . 3 1 1 A 17 17 LYS C C 159 176.799 176.325 0.474 1 1 180 . 3 1 1 A 17 17 LYS CA C 159 58.532 59.490 -0.958 1 1 181 . 3 1 1 A 17 17 LYS CB C 159 33.471 32.084 1.387 1 1 184 . 3 1 1 A 17 17 LYS N N 159 123.623 128.277 -4.654 1 1 185 . 3 1 1 A 18 18 GLY H H 160 7.222 7.749 -0.527 1 1 186 . 3 1 1 A 18 18 GLY HA2 H 160 4.578 3.990 0.588 1 1 187 . 3 1 1 A 18 18 GLY HA3 H 160 3.950 3.995 -0.045 1 1 188 . 3 1 1 A 18 18 GLY CA C 160 44.160 44.871 -0.711 1 1 189 . 3 1 1 A 18 18 GLY N N 160 111.304 107.105 4.199 1 1 190 . 3 1 1 A 19 19 PRO HA H 161 4.307 4.487 -0.180 1 1 197 . 3 1 1 A 19 19 PRO C C 161 177.523 176.816 0.707 1 1 198 . 3 1 1 A 19 19 PRO CA C 161 64.766 63.955 0.811 1 1 199 . 3 1 1 A 19 19 PRO CB C 161 31.509 32.396 -0.887 1 1 202 . 3 1 1 A 20 20 SER H H 162 8.462 7.672 0.790 1 1 203 . 3 1 1 A 20 20 SER HA H 162 4.708 4.535 0.173 1 1 206 . 3 1 1 A 20 20 SER C C 162 173.887 174.279 -0.392 1 1 207 . 3 1 1 A 20 20 SER CA C 162 56.541 58.490 -1.949 1 1 208 . 3 1 1 A 20 20 SER CB C 162 63.086 65.429 -2.343 1 1 209 . 3 1 1 A 20 20 SER N N 162 111.594 111.929 -0.335 1 1 210 . 3 1 1 A 21 21 GLY H H 163 7.730 7.930 -0.200 1 1 211 . 3 1 1 A 21 21 GLY HA2 H 163 4.477 3.573 0.904 1 1 212 . 3 1 1 A 21 21 GLY HA3 H 163 3.242 3.749 -0.507 1 1 213 . 3 1 1 A 21 21 GLY CA C 163 43.895 44.941 -1.046 1 1 214 . 3 1 1 A 21 21 GLY N N 163 108.656 109.179 -0.523 1 1 215 . 3 1 1 A 22 22 TYR H H 164 7.210 8.316 -1.106 1 1 216 . 3 1 1 A 22 22 TYR HA H 164 4.366 4.654 -0.288 1 1 223 . 3 1 1 A 22 22 TYR C C 164 176.198 176.445 -0.247 1 1 224 . 3 1 1 A 22 22 TYR CA C 164 60.930 58.713 2.217 1 1 225 . 3 1 1 A 22 22 TYR CB C 164 40.660 39.970 0.690 1 1 226 . 3 1 1 A 23 23 GLY H H 165 8.600 8.434 0.166 1 1 227 . 3 1 1 A 23 23 GLY HA2 H 165 4.511 3.855 0.656 1 1 228 . 3 1 1 A 23 23 GLY HA3 H 165 3.886 3.906 -0.020 1 1 229 . 3 1 1 A 23 23 GLY C C 165 172.930 173.861 -0.931 1 1 230 . 3 1 1 A 23 23 GLY CA C 165 45.013 45.993 -0.980 1 1 231 . 3 1 1 A 23 23 GLY N N 165 103.183 108.261 -5.078 1 1 232 . 3 1 1 A 24 24 PHE H H 166 6.855 7.306 -0.451 1 1 233 . 3 1 1 A 24 24 PHE HA H 166 5.629 5.282 0.347 1 1 241 . 3 1 1 A 24 24 PHE C C 166 172.417 173.708 -1.291 1 1 242 . 3 1 1 A 24 24 PHE CA C 166 54.693 55.498 -0.805 1 1 243 . 3 1 1 A 24 24 PHE CB C 166 42.235 41.773 0.462 1 1 244 . 3 1 1 A 24 24 PHE N N 166 111.547 115.298 -3.751 1 1 245 . 3 1 1 A 25 25 ASN H H 167 8.121 9.591 -1.470 1 1 246 . 3 1 1 A 25 25 ASN HA H 167 5.097 5.633 -0.536 1 1 251 . 3 1 1 A 25 25 ASN C C 167 174.068 174.720 -0.652 1 1 252 . 3 1 1 A 25 25 ASN CA C 167 51.521 52.582 -1.061 1 1 253 . 3 1 1 A 25 25 ASN CB C 167 41.155 43.031 -1.876 1 1 254 . 3 1 1 A 25 25 ASN N N 167 117.619 117.870 -0.251 1 1 256 . 3 1 1 A 26 26 LEU H H 168 9.287 8.986 0.301 1 1 257 . 3 1 1 A 26 26 LEU HA H 168 5.369 5.256 0.113 1 1 266 . 3 1 1 A 26 26 LEU C C 168 176.491 175.608 0.883 1 1 267 . 3 1 1 A 26 26 LEU CA C 168 54.171 54.048 0.123 1 1 268 . 3 1 1 A 26 26 LEU CB C 168 44.783 45.859 -1.076 1 1 272 . 3 1 1 A 26 26 LEU N N 168 123.933 120.918 3.015 1 1 273 . 3 1 1 A 27 27 HIS H H 169 9.466 9.929 -0.463 1 1 274 . 3 1 1 A 27 27 HIS HA H 169 4.922 5.655 -0.733 1 1 276 . 3 1 1 A 27 27 HIS CA C 169 56.019 54.005 2.014 1 1 277 . 3 1 1 A 27 27 HIS CB C 169 33.352 33.316 0.036 1 1 278 . 3 1 1 A 27 27 HIS N N 169 119.976 119.162 0.814 1 1 279 . 3 1 1 A 28 28 SER HA H 170 4.703 4.776 -0.073 1 1 282 . 3 1 1 A 28 28 SER C C 170 172.451 172.923 -0.472 1 1 283 . 3 1 1 A 28 28 SER CA C 170 57.104 56.377 0.727 1 1 284 . 3 1 1 A 28 28 SER CB C 170 63.937 65.415 -1.478 1 1 285 . 3 1 1 A 29 29 ASP H H 171 9.230 9.023 0.207 1 1 286 . 3 1 1 A 29 29 ASP HA H 171 4.591 4.765 -0.174 1 1 289 . 3 1 1 A 29 29 ASP CA C 171 53.406 55.819 -2.413 1 1 290 . 3 1 1 A 29 29 ASP CB C 171 43.831 43.058 0.773 1 1 291 . 3 1 1 A 29 29 ASP N N 171 123.447 124.596 -1.149 1 1 292 . 3 1 1 A 30 30 LYS HA H 172 4.148 4.619 -0.471 1 1 298 . 3 1 1 A 30 30 LYS C C 172 176.768 176.640 0.128 1 1 299 . 3 1 1 A 30 30 LYS CA C 172 57.755 55.092 2.663 1 1 300 . 3 1 1 A 30 30 LYS CB C 172 31.872 33.891 -2.019 1 1 301 . 3 1 1 A 31 31 SER H H 173 8.803 8.668 0.135 1 1 302 . 3 1 1 A 31 31 SER HA H 173 4.419 4.760 -0.341 1 1 304 . 3 1 1 A 31 31 SER C C 173 173.570 174.579 -1.009 1 1 305 . 3 1 1 A 31 31 SER CA C 173 59.354 57.729 1.625 1 1 306 . 3 1 1 A 31 31 SER CB C 173 64.113 63.748 0.365 1 1 307 . 3 1 1 A 31 31 SER N N 173 115.001 118.071 -3.070 1 1 308 . 3 1 1 A 32 32 LYS H H 174 7.893 7.847 0.046 1 1 309 . 3 1 1 A 32 32 LYS HA H 174 4.804 4.379 0.425 1 1 316 . 3 1 1 A 32 32 LYS CA C 174 53.258 58.920 -5.662 1 1 317 . 3 1 1 A 32 32 LYS CB C 174 33.448 33.470 -0.022 1 1 321 . 3 1 1 A 32 32 LYS N N 174 122.863 121.071 1.792 1 1 322 . 3 1 1 A 33 33 PRO HA H 175 4.592 4.361 0.231 1 1 329 . 3 1 1 A 33 33 PRO C C 175 176.188 176.805 -0.617 1 1 330 . 3 1 1 A 33 33 PRO CA C 175 62.823 65.225 -2.402 1 1 331 . 3 1 1 A 33 33 PRO CB C 175 32.076 31.838 0.238 1 1 334 . 3 1 1 A 34 34 GLY H H 176 8.328 7.397 0.931 1 1 335 . 3 1 1 A 34 34 GLY HA2 H 176 4.179 4.033 0.146 1 1 336 . 3 1 1 A 34 34 GLY HA3 H 176 3.713 4.070 -0.357 1 1 337 . 3 1 1 A 34 34 GLY C C 176 172.298 171.378 0.920 1 1 338 . 3 1 1 A 34 34 GLY CA C 176 43.770 44.826 -1.056 1 1 339 . 3 1 1 A 34 34 GLY N N 176 108.419 105.262 3.157 1 1 340 . 3 1 1 A 35 35 GLN H H 177 8.673 8.263 0.410 1 1 341 . 3 1 1 A 35 35 GLN HA H 177 4.761 4.403 0.358 1 1 347 . 3 1 1 A 35 35 GLN C C 177 173.569 174.146 -0.577 1 1 348 . 3 1 1 A 35 35 GLN CA C 177 53.731 54.404 -0.673 1 1 349 . 3 1 1 A 35 35 GLN CB C 177 29.555 30.626 -1.071 1 1 351 . 3 1 1 A 35 35 GLN N N 177 117.933 121.418 -3.485 1 1 353 . 3 1 1 A 36 36 PHE H H 178 8.799 8.173 0.626 1 1 354 . 3 1 1 A 36 36 PHE HA H 178 5.447 4.948 0.499 1 1 361 . 3 1 1 A 36 36 PHE C C 178 175.427 175.482 -0.055 1 1 362 . 3 1 1 A 36 36 PHE CA C 178 55.349 56.577 -1.228 1 1 363 . 3 1 1 A 36 36 PHE CB C 178 42.486 42.138 0.348 1 1 364 . 3 1 1 A 36 36 PHE N N 178 120.404 123.368 -2.964 1 1 365 . 3 1 1 A 37 37 ILE H H 179 9.203 8.768 0.435 1 1 366 . 3 1 1 A 37 37 ILE HA H 179 4.322 4.380 -0.058 1 1 376 . 3 1 1 A 37 37 ILE C C 179 176.207 177.387 -1.180 1 1 377 . 3 1 1 A 37 37 ILE CA C 179 58.611 62.303 -3.692 1 1 378 . 3 1 1 A 37 37 ILE CB C 179 34.911 38.121 -3.210 1 1 380 . 3 1 1 A 37 37 ILE N N 179 120.720 125.696 -4.976 1 1 381 . 3 1 1 A 38 38 ARG H H 180 9.453 9.466 -0.013 1 1 382 . 3 1 1 A 38 38 ARG HA H 180 3.951 4.399 -0.448 1 1 389 . 3 1 1 A 38 38 ARG C C 180 175.332 176.247 -0.915 1 1 390 . 3 1 1 A 38 38 ARG CA C 180 58.035 56.655 1.380 1 1 391 . 3 1 1 A 38 38 ARG CB C 180 30.593 31.670 -1.077 1 1 393 . 3 1 1 A 38 38 ARG N N 180 132.453 124.539 7.914 1 1 394 . 3 1 1 A 39 39 SER H H 181 7.529 7.395 0.134 1 1 395 . 3 1 1 A 39 39 SER HA H 181 4.553 4.785 -0.232 1 1 397 . 3 1 1 A 39 39 SER C C 181 170.792 172.190 -1.398 1 1 398 . 3 1 1 A 39 39 SER CA C 181 56.629 57.418 -0.789 1 1 399 . 3 1 1 A 39 39 SER CB C 181 64.756 65.351 -0.595 1 1 400 . 3 1 1 A 39 39 SER N N 181 109.145 113.553 -4.408 1 1 401 . 3 1 1 A 40 40 VAL H H 182 8.595 8.786 -0.191 1 1 402 . 3 1 1 A 40 40 VAL HA H 182 4.609 4.743 -0.134 1 1 410 . 3 1 1 A 40 40 VAL C C 182 175.150 174.354 0.796 1 1 411 . 3 1 1 A 40 40 VAL CA C 182 60.603 60.750 -0.147 1 1 412 . 3 1 1 A 40 40 VAL CB C 182 34.480 35.088 -0.608 1 1 415 . 3 1 1 A 40 40 VAL N N 182 119.939 124.184 -4.245 1 1 416 . 3 1 1 A 41 41 ASP H H 183 9.410 9.163 0.247 1 1 417 . 3 1 1 A 41 41 ASP HA H 183 4.770 4.841 -0.071 1 1 420 . 3 1 1 A 41 41 ASP CA C 183 52.418 51.409 1.009 1 1 421 . 3 1 1 A 41 41 ASP CB C 183 39.357 41.822 -2.465 1 1 422 . 3 1 1 A 41 41 ASP N N 183 129.870 128.106 1.764 1 1 423 . 3 1 1 A 42 42 PRO HA H 184 4.551 4.349 0.202 1 1 429 . 3 1 1 A 42 42 PRO C C 184 176.520 177.131 -0.611 1 1 430 . 3 1 1 A 42 42 PRO CA C 184 62.915 63.802 -0.887 1 1 431 . 3 1 1 A 42 42 PRO CB C 184 31.844 31.740 0.104 1 1 434 . 3 1 1 A 43 43 ASP H H 185 9.250 8.966 0.284 1 1 435 . 3 1 1 A 43 43 ASP HA H 185 4.356 4.341 0.015 1 1 438 . 3 1 1 A 43 43 ASP C C 185 173.959 174.762 -0.803 1 1 439 . 3 1 1 A 43 43 ASP CA C 185 55.638 55.593 0.045 1 1 440 . 3 1 1 A 43 43 ASP CB C 185 39.100 40.414 -1.314 1 1 441 . 3 1 1 A 43 43 ASP N N 185 118.710 122.444 -3.734 1 1 442 . 3 1 1 A 44 44 SER H H 186 7.336 7.731 -0.395 1 1 443 . 3 1 1 A 44 44 SER HA H 186 4.953 4.776 0.177 1 1 445 . 3 1 1 A 44 44 SER CA C 186 56.329 56.782 -0.453 1 1 446 . 3 1 1 A 44 44 SER CB C 186 65.440 63.674 1.766 1 1 447 . 3 1 1 A 44 44 SER N N 186 111.769 114.983 -3.214 1 1 448 . 3 1 1 A 45 45 PRO HA H 187 4.522 4.204 0.318 1 1 455 . 3 1 1 A 45 45 PRO C C 187 179.929 178.234 1.695 1 1 456 . 3 1 1 A 45 45 PRO CA C 187 65.133 65.658 -0.525 1 1 457 . 3 1 1 A 45 45 PRO CB C 187 32.682 31.810 0.872 1 1 459 . 3 1 1 A 46 46 ALA H H 188 8.492 8.207 0.285 1 1 460 . 3 1 1 A 46 46 ALA HA H 188 4.378 4.161 0.217 1 1 464 . 3 1 1 A 46 46 ALA C C 188 175.528 180.162 -4.634 1 1 465 . 3 1 1 A 46 46 ALA CA C 188 54.584 55.535 -0.951 1 1 466 . 3 1 1 A 46 46 ALA CB C 188 19.714 18.512 1.202 1 1 467 . 3 1 1 A 46 46 ALA N N 188 118.684 118.802 -0.118 1 1 468 . 3 1 1 A 47 47 GLU H H 189 8.266 8.216 0.050 1 1 469 . 3 1 1 A 47 47 GLU HA H 189 3.881 4.005 -0.124 1 1 472 . 3 1 1 A 47 47 GLU C C 189 173.891 178.187 -4.296 1 1 473 . 3 1 1 A 47 47 GLU CA C 189 59.881 59.394 0.487 1 1 474 . 3 1 1 A 47 47 GLU CB C 189 29.830 29.659 0.171 1 1 475 . 3 1 1 A 47 47 GLU N N 189 122.834 118.499 4.335 1 1 476 . 3 1 1 A 48 48 ALA H H 190 8.378 8.598 -0.220 1 1 477 . 3 1 1 A 48 48 ALA HA H 190 4.228 4.097 0.131 1 1 481 . 3 1 1 A 48 48 ALA C C 190 178.612 179.905 -1.293 1 1 482 . 3 1 1 A 48 48 ALA CA C 190 54.522 54.856 -0.334 1 1 483 . 3 1 1 A 48 48 ALA CB C 190 17.980 18.537 -0.557 1 1 484 . 3 1 1 A 48 48 ALA N N 190 122.847 122.154 0.693 1 1 485 . 3 1 1 A 49 49 SER H H 191 7.949 7.361 0.588 1 1 486 . 3 1 1 A 49 49 SER HA H 191 4.544 4.509 0.035 1 1 489 . 3 1 1 A 49 49 SER C C 191 174.409 174.603 -0.194 1 1 490 . 3 1 1 A 49 49 SER CA C 191 59.717 58.903 0.814 1 1 491 . 3 1 1 A 49 49 SER CB C 191 64.762 63.725 1.037 1 1 492 . 3 1 1 A 49 49 SER N N 191 112.314 110.669 1.645 1 1 493 . 3 1 1 A 50 50 GLY H H 192 7.604 8.040 -0.436 1 1 494 . 3 1 1 A 50 50 GLY HA2 H 192 4.427 4.083 0.344 1 1 495 . 3 1 1 A 50 50 GLY HA3 H 192 3.714 4.085 -0.371 1 1 496 . 3 1 1 A 50 50 GLY C C 192 173.516 174.443 -0.927 1 1 497 . 3 1 1 A 50 50 GLY CA C 192 44.654 44.900 -0.246 1 1 498 . 3 1 1 A 50 50 GLY N N 192 107.849 108.887 -1.038 1 1 499 . 3 1 1 A 51 51 LEU H H 193 7.268 7.959 -0.691 1 1 500 . 3 1 1 A 51 51 LEU HA H 193 3.969 4.199 -0.230 1 1 510 . 3 1 1 A 51 51 LEU C C 193 174.799 175.525 -0.726 1 1 511 . 3 1 1 A 51 51 LEU CA C 193 55.198 55.886 -0.688 1 1 512 . 3 1 1 A 51 51 LEU CB C 193 43.724 42.680 1.044 1 1 515 . 3 1 1 A 51 51 LEU N N 193 124.317 123.163 1.154 1 1 516 . 3 1 1 A 52 52 ARG H H 194 8.891 8.580 0.311 1 1 517 . 3 1 1 A 52 52 ARG HA H 194 4.613 4.985 -0.372 1 1 521 . 3 1 1 A 52 52 ARG C C 194 174.936 175.482 -0.546 1 1 522 . 3 1 1 A 52 52 ARG CA C 194 54.127 53.995 0.132 1 1 523 . 3 1 1 A 52 52 ARG CB C 194 34.156 33.869 0.287 1 1 524 . 3 1 1 A 52 52 ARG N N 194 124.468 125.262 -0.794 1 1 525 . 3 1 1 A 53 53 ALA H H 195 8.677 8.592 0.085 1 1 526 . 3 1 1 A 53 53 ALA HA H 195 3.682 4.059 -0.377 1 1 530 . 3 1 1 A 53 53 ALA C C 195 178.524 178.233 0.291 1 1 531 . 3 1 1 A 53 53 ALA CA C 195 53.523 52.911 0.612 1 1 532 . 3 1 1 A 53 53 ALA CB C 195 17.963 19.189 -1.226 1 1 533 . 3 1 1 A 53 53 ALA N N 195 122.213 126.980 -4.767 1 1 534 . 3 1 1 A 54 54 GLN H H 196 9.490 9.037 0.453 1 1 535 . 3 1 1 A 54 54 GLN HA H 196 4.032 4.078 -0.046 1 1 541 . 3 1 1 A 54 54 GLN C C 196 174.503 174.522 -0.019 1 1 542 . 3 1 1 A 54 54 GLN CA C 196 58.036 57.800 0.236 1 1 543 . 3 1 1 A 54 54 GLN CB C 196 26.208 27.093 -0.885 1 1 544 . 3 1 1 A 54 54 GLN N N 196 115.882 115.916 -0.034 1 1 546 . 3 1 1 A 55 55 ASP H H 197 7.798 7.734 0.064 1 1 547 . 3 1 1 A 55 55 ASP HA H 197 4.757 5.052 -0.295 1 1 550 . 3 1 1 A 55 55 ASP C C 197 174.629 175.839 -1.210 1 1 551 . 3 1 1 A 55 55 ASP CA C 197 55.315 54.033 1.282 1 1 552 . 3 1 1 A 55 55 ASP CB C 197 41.416 42.034 -0.618 1 1 553 . 3 1 1 A 55 55 ASP N N 197 121.039 119.431 1.608 1 1 554 . 3 1 1 A 56 56 ARG H H 198 8.938 8.640 0.298 1 1 555 . 3 1 1 A 56 56 ARG HA H 198 4.430 4.832 -0.402 1 1 557 . 3 1 1 A 56 56 ARG C C 198 174.400 175.549 -1.149 1 1 558 . 3 1 1 A 56 56 ARG CA C 198 54.273 55.866 -1.593 1 1 559 . 3 1 1 A 56 56 ARG CB C 198 32.499 30.853 1.646 1 1 560 . 3 1 1 A 56 56 ARG N N 198 122.032 122.038 -0.006 1 1 561 . 3 1 1 A 57 57 ILE H H 199 8.179 9.056 -0.877 1 1 562 . 3 1 1 A 57 57 ILE HA H 199 3.746 4.096 -0.350 1 1 572 . 3 1 1 A 57 57 ILE C C 199 174.272 175.810 -1.538 1 1 573 . 3 1 1 A 57 57 ILE CA C 199 62.349 62.218 0.131 1 1 574 . 3 1 1 A 57 57 ILE CB C 199 38.071 37.701 0.370 1 1 578 . 3 1 1 A 57 57 ILE N N 199 124.246 126.309 -2.063 1 1 579 . 3 1 1 A 58 58 VAL H H 200 9.389 9.715 -0.326 1 1 580 . 3 1 1 A 58 58 VAL HA H 200 4.107 4.115 -0.008 1 1 588 . 3 1 1 A 58 58 VAL C C 200 176.755 176.179 0.576 1 1 589 . 3 1 1 A 58 58 VAL CA C 200 63.067 63.648 -0.581 1 1 590 . 3 1 1 A 58 58 VAL CB C 200 32.894 32.819 0.075 1 1 592 . 3 1 1 A 58 58 VAL N N 200 127.780 127.893 -0.113 1 1 593 . 3 1 1 A 59 59 GLU H H 201 7.850 7.493 0.357 1 1 594 . 3 1 1 A 59 59 GLU HA H 201 5.126 4.937 0.189 1 1 598 . 3 1 1 A 59 59 GLU C C 201 175.123 173.740 1.383 1 1 599 . 3 1 1 A 59 59 GLU CA C 201 54.610 55.061 -0.451 1 1 600 . 3 1 1 A 59 59 GLU CB C 201 34.407 32.611 1.796 1 1 602 . 3 1 1 A 59 59 GLU N N 201 116.847 115.825 1.022 1 1 603 . 3 1 1 A 60 60 VAL H H 202 8.110 8.424 -0.314 1 1 604 . 3 1 1 A 60 60 VAL HA H 202 4.433 4.378 0.055 1 1 612 . 3 1 1 A 60 60 VAL C C 202 175.772 176.159 -0.387 1 1 613 . 3 1 1 A 60 60 VAL CA C 202 60.952 61.415 -0.463 1 1 614 . 3 1 1 A 60 60 VAL CB C 202 33.802 34.141 -0.339 1 1 616 . 3 1 1 A 60 60 VAL N N 202 118.751 119.409 -0.658 1 1 617 . 3 1 1 A 61 61 ASN H H 203 9.900 9.946 -0.046 1 1 618 . 3 1 1 A 61 61 ASN HA H 203 4.312 4.396 -0.084 1 1 621 . 3 1 1 A 61 61 ASN C C 203 174.718 174.449 0.269 1 1 622 . 3 1 1 A 61 61 ASN CA C 203 54.260 54.113 0.147 1 1 623 . 3 1 1 A 61 61 ASN CB C 203 36.965 37.451 -0.486 1 1 624 . 3 1 1 A 61 61 ASN N N 203 128.765 125.679 3.086 1 1 625 . 3 1 1 A 62 62 GLY H H 204 9.192 8.268 0.924 1 1 626 . 3 1 1 A 62 62 GLY HA2 H 204 3.979 3.923 0.056 1 1 627 . 3 1 1 A 62 62 GLY HA3 H 204 3.734 3.926 -0.192 1 1 628 . 3 1 1 A 62 62 GLY C C 204 173.240 174.498 -1.258 1 1 629 . 3 1 1 A 62 62 GLY CA C 204 44.996 45.090 -0.094 1 1 630 . 3 1 1 A 62 62 GLY N N 204 103.295 104.604 -1.309 1 1 631 . 3 1 1 A 63 63 VAL H H 205 7.792 7.388 0.404 1 1 632 . 3 1 1 A 63 63 VAL HA H 205 4.085 4.192 -0.107 1 1 637 . 3 1 1 A 63 63 VAL C C 205 174.605 174.608 -0.003 1 1 638 . 3 1 1 A 63 63 VAL CA C 205 61.373 61.323 0.050 1 1 639 . 3 1 1 A 63 63 VAL CB C 205 32.623 31.537 1.086 1 1 642 . 3 1 1 A 63 63 VAL N N 205 122.193 119.293 2.900 1 1 643 . 3 1 1 A 64 64 CYS H H 206 8.878 8.942 -0.064 1 1 644 . 3 1 1 A 64 64 CYS HA H 206 4.265 4.691 -0.426 1 1 647 . 3 1 1 A 64 64 CYS C C 206 176.086 173.974 2.112 1 1 648 . 3 1 1 A 64 64 CYS CA C 206 61.148 58.115 3.033 1 1 649 . 3 1 1 A 64 64 CYS CB C 206 27.938 27.794 0.144 1 1 650 . 3 1 1 A 64 64 CYS N N 206 128.575 127.846 0.729 1 1 651 . 3 1 1 A 65 65 MET H H 207 8.413 8.654 -0.241 1 1 652 . 3 1 1 A 65 65 MET HA H 207 4.877 5.138 -0.261 1 1 654 . 3 1 1 A 65 65 MET CA C 207 52.697 54.400 -1.703 1 1 655 . 3 1 1 A 65 65 MET CB C 207 33.908 34.831 -0.923 1 1 656 . 3 1 1 A 65 65 MET N N 207 125.926 127.178 -1.252 1 1 657 . 3 1 1 A 66 66 GLU H H 208 8.768 8.730 0.038 1 1 658 . 3 1 1 A 66 66 GLU HA H 208 4.187 4.066 0.121 1 1 662 . 3 1 1 A 66 66 GLU C C 208 177.644 176.947 0.697 1 1 663 . 3 1 1 A 66 66 GLU CA C 208 58.586 57.871 0.715 1 1 664 . 3 1 1 A 66 66 GLU CB C 208 28.916 29.573 -0.657 1 1 665 . 3 1 1 A 67 67 GLY H H 209 9.144 8.893 0.251 1 1 666 . 3 1 1 A 67 67 GLY HA2 H 209 4.156 3.976 0.180 1 1 667 . 3 1 1 A 67 67 GLY HA3 H 209 3.746 3.986 -0.240 1 1 668 . 3 1 1 A 67 67 GLY C C 209 173.880 174.728 -0.848 1 1 669 . 3 1 1 A 67 67 GLY CA C 209 45.339 45.042 0.297 1 1 670 . 3 1 1 A 67 67 GLY N N 209 114.503 114.654 -0.151 1 1 671 . 3 1 1 A 68 68 LYS H H 210 7.585 7.173 0.412 1 1 672 . 3 1 1 A 68 68 LYS HA H 210 4.550 4.188 0.362 1 1 675 . 3 1 1 A 68 68 LYS C C 210 176.239 175.718 0.521 1 1 676 . 3 1 1 A 68 68 LYS CA C 210 54.802 56.779 -1.977 1 1 677 . 3 1 1 A 68 68 LYS CB C 210 32.493 33.812 -1.319 1 1 679 . 3 1 1 A 68 68 LYS N N 210 119.299 120.476 -1.177 1 1 680 . 3 1 1 A 69 69 GLN H H 211 9.176 8.910 0.266 1 1 681 . 3 1 1 A 69 69 GLN HA H 211 4.534 4.446 0.088 1 1 688 . 3 1 1 A 69 69 GLN C C 211 176.499 177.254 -0.755 1 1 689 . 3 1 1 A 69 69 GLN CA C 211 54.286 54.718 -0.432 1 1 690 . 3 1 1 A 69 69 GLN CB C 211 30.414 29.669 0.745 1 1 692 . 3 1 1 A 69 69 GLN N N 211 119.518 121.399 -1.881 1 1 694 . 3 1 1 A 70 70 HIS H H 212 9.097 9.075 0.022 1 1 695 . 3 1 1 A 70 70 HIS HA H 212 3.866 4.053 -0.187 1 1 698 . 3 1 1 A 70 70 HIS C C 212 176.987 177.072 -0.085 1 1 699 . 3 1 1 A 70 70 HIS CA C 212 61.326 59.566 1.760 1 1 700 . 3 1 1 A 70 70 HIS CB C 212 30.480 30.363 0.117 1 1 701 . 3 1 1 A 70 70 HIS N N 212 122.474 123.025 -0.551 1 1 702 . 3 1 1 A 71 71 GLY H H 213 9.138 8.584 0.554 1 1 703 . 3 1 1 A 71 71 GLY HA2 H 213 3.930 3.620 0.310 1 1 704 . 3 1 1 A 71 71 GLY HA3 H 213 3.693 3.694 -0.001 1 1 705 . 3 1 1 A 71 71 GLY C C 213 176.374 176.190 0.184 1 1 706 . 3 1 1 A 71 71 GLY CA C 213 46.837 46.933 -0.096 1 1 707 . 3 1 1 A 71 71 GLY N N 213 103.821 106.531 -2.710 1 1 708 . 3 1 1 A 72 72 ASP H H 214 7.344 7.789 -0.445 1 1 709 . 3 1 1 A 72 72 ASP HA H 214 4.499 4.316 0.183 1 1 712 . 3 1 1 A 72 72 ASP C C 214 178.391 178.777 -0.386 1 1 713 . 3 1 1 A 72 72 ASP CA C 214 56.650 56.605 0.045 1 1 714 . 3 1 1 A 72 72 ASP CB C 214 41.284 40.850 0.434 1 1 715 . 3 1 1 A 72 72 ASP N N 214 120.357 122.307 -1.950 1 1 716 . 3 1 1 A 73 73 VAL H H 215 7.697 8.350 -0.653 1 1 717 . 3 1 1 A 73 73 VAL HA H 215 3.804 3.558 0.246 1 1 725 . 3 1 1 A 73 73 VAL C C 215 177.258 178.492 -1.234 1 1 726 . 3 1 1 A 73 73 VAL CA C 215 65.957 66.261 -0.304 1 1 727 . 3 1 1 A 73 73 VAL CB C 215 31.411 31.492 -0.081 1 1 730 . 3 1 1 A 73 73 VAL N N 215 123.318 120.085 3.233 1 1 731 . 3 1 1 A 74 74 VAL H H 216 8.144 8.673 -0.529 1 1 732 . 3 1 1 A 74 74 VAL HA H 216 3.474 3.480 -0.006 1 1 740 . 3 1 1 A 74 74 VAL C C 216 178.839 178.163 0.676 1 1 741 . 3 1 1 A 74 74 VAL CA C 216 66.866 66.208 0.658 1 1 742 . 3 1 1 A 74 74 VAL CB C 216 31.496 31.305 0.191 1 1 745 . 3 1 1 A 74 74 VAL N N 216 118.785 121.302 -2.517 1 1 746 . 3 1 1 A 75 75 SER H H 217 8.153 8.230 -0.077 1 1 747 . 3 1 1 A 75 75 SER HA H 217 4.131 4.147 -0.016 1 1 750 . 3 1 1 A 75 75 SER C C 217 176.246 176.252 -0.006 1 1 751 . 3 1 1 A 75 75 SER CA C 217 62.198 61.761 0.437 1 1 752 . 3 1 1 A 75 75 SER CB C 217 65.986 62.977 3.009 1 1 753 . 3 1 1 A 75 75 SER N N 217 115.428 115.807 -0.379 1 1 754 . 3 1 1 A 76 76 ALA H H 218 7.873 8.103 -0.230 1 1 755 . 3 1 1 A 76 76 ALA HA H 218 4.220 4.123 0.097 1 1 759 . 3 1 1 A 76 76 ALA C C 218 180.251 179.800 0.451 1 1 760 . 3 1 1 A 76 76 ALA CA C 218 54.649 55.139 -0.490 1 1 761 . 3 1 1 A 76 76 ALA CB C 218 17.519 18.098 -0.579 1 1 762 . 3 1 1 A 76 76 ALA N N 218 125.449 122.989 2.460 1 1 763 . 3 1 1 A 77 77 ILE H H 219 8.357 7.825 0.532 1 1 764 . 3 1 1 A 77 77 ILE HA H 219 3.511 3.517 -0.006 1 1 774 . 3 1 1 A 77 77 ILE C C 219 181.394 178.079 3.315 1 1 775 . 3 1 1 A 77 77 ILE CA C 219 65.003 65.311 -0.308 1 1 776 . 3 1 1 A 77 77 ILE CB C 219 38.374 37.774 0.600 1 1 779 . 3 1 1 A 77 77 ILE N N 219 119.293 117.859 1.434 1 1 780 . 3 1 1 A 78 78 ARG H H 220 8.817 7.762 1.055 1 1 781 . 3 1 1 A 78 78 ARG HA H 220 4.162 4.022 0.140 1 1 786 . 3 1 1 A 78 78 ARG C C 220 178.163 178.108 0.055 1 1 787 . 3 1 1 A 78 78 ARG CA C 220 59.499 59.852 -0.353 1 1 788 . 3 1 1 A 78 78 ARG CB C 220 30.018 30.046 -0.028 1 1 790 . 3 1 1 A 78 78 ARG N N 220 124.633 122.078 2.555 1 1 791 . 3 1 1 A 79 79 ALA H H 221 8.207 8.003 0.204 1 1 792 . 3 1 1 A 79 79 ALA HA H 221 4.223 4.225 -0.002 1 1 796 . 3 1 1 A 79 79 ALA C C 221 178.343 178.256 0.087 1 1 797 . 3 1 1 A 79 79 ALA CA C 221 54.107 52.747 1.360 1 1 798 . 3 1 1 A 79 79 ALA CB C 221 18.055 18.688 -0.633 1 1 799 . 3 1 1 A 79 79 ALA N N 221 120.984 120.570 0.414 1 1 800 . 3 1 1 A 80 80 GLY H H 222 7.239 7.763 -0.524 1 1 801 . 3 1 1 A 80 80 GLY HA2 H 222 4.287 3.979 0.308 1 1 802 . 3 1 1 A 80 80 GLY C C 222 174.203 174.568 -0.365 1 1 803 . 3 1 1 A 80 80 GLY CA C 222 44.921 45.268 -0.347 1 1 804 . 3 1 1 A 80 80 GLY N N 222 102.308 107.548 -5.240 1 1 805 . 3 1 1 A 81 81 GLY H H 223 7.873 8.204 -0.331 1 1 806 . 3 1 1 A 81 81 GLY HA2 H 223 4.229 3.855 0.374 1 1 807 . 3 1 1 A 81 81 GLY HA3 H 223 3.735 3.857 -0.122 1 1 808 . 3 1 1 A 81 81 GLY C C 223 174.031 175.089 -1.058 1 1 809 . 3 1 1 A 81 81 GLY CA C 223 46.465 46.650 -0.185 1 1 810 . 3 1 1 A 81 81 GLY N N 223 107.624 107.067 0.557 1 1 811 . 3 1 1 A 82 82 ASP H H 224 9.157 8.738 0.419 1 1 812 . 3 1 1 A 82 82 ASP HA H 224 4.625 4.633 -0.008 1 1 815 . 3 1 1 A 82 82 ASP C C 224 173.254 175.830 -2.576 1 1 816 . 3 1 1 A 82 82 ASP CA C 224 54.408 54.783 -0.375 1 1 817 . 3 1 1 A 82 82 ASP CB C 224 40.829 41.544 -0.715 1 1 818 . 3 1 1 A 82 82 ASP N N 224 128.466 126.274 2.192 1 1 819 . 3 1 1 A 83 83 GLU H H 225 7.479 7.651 -0.172 1 1 820 . 3 1 1 A 83 83 GLU HA H 225 5.454 4.856 0.598 1 1 825 . 3 1 1 A 83 83 GLU C C 225 175.120 175.413 -0.293 1 1 826 . 3 1 1 A 83 83 GLU CA C 225 54.723 55.710 -0.987 1 1 827 . 3 1 1 A 83 83 GLU CB C 225 33.927 31.484 2.443 1 1 829 . 3 1 1 A 83 83 GLU N N 225 118.419 120.099 -1.680 1 1 830 . 3 1 1 A 84 84 THR H H 226 8.759 9.237 -0.478 1 1 831 . 3 1 1 A 84 84 THR HA H 226 4.680 4.871 -0.191 1 1 836 . 3 1 1 A 84 84 THR C C 226 170.497 173.705 -3.208 1 1 837 . 3 1 1 A 84 84 THR CA C 226 62.538 62.010 0.528 1 1 838 . 3 1 1 A 84 84 THR CB C 226 70.389 69.636 0.753 1 1 840 . 3 1 1 A 84 84 THR N N 226 116.177 122.510 -6.333 1 1 841 . 3 1 1 A 85 85 LYS H H 227 7.829 9.029 -1.200 1 1 842 . 3 1 1 A 85 85 LYS HA H 227 5.085 4.697 0.388 1 1 847 . 3 1 1 A 85 85 LYS C C 227 174.884 175.099 -0.215 1 1 848 . 3 1 1 A 85 85 LYS CA C 227 54.338 55.745 -1.407 1 1 849 . 3 1 1 A 85 85 LYS CB C 227 34.154 32.592 1.562 1 1 853 . 3 1 1 A 85 85 LYS N N 227 125.540 127.509 -1.969 1 1 854 . 3 1 1 A 86 86 LEU H H 228 8.977 9.481 -0.504 1 1 855 . 3 1 1 A 86 86 LEU HA H 228 5.049 5.078 -0.029 1 1 864 . 3 1 1 A 86 86 LEU C C 228 174.337 175.169 -0.832 1 1 865 . 3 1 1 A 86 86 LEU CA C 228 52.201 53.450 -1.249 1 1 866 . 3 1 1 A 86 86 LEU CB C 228 44.238 43.440 0.798 1 1 867 . 3 1 1 A 86 86 LEU N N 228 125.294 126.159 -0.865 1 1 868 . 3 1 1 A 87 87 LEU H H 229 8.619 8.535 0.084 1 1 869 . 3 1 1 A 87 87 LEU HA H 229 5.244 5.315 -0.071 1 1 875 . 3 1 1 A 87 87 LEU C C 229 175.951 175.872 0.079 1 1 876 . 3 1 1 A 87 87 LEU CA C 229 53.857 53.514 0.343 1 1 877 . 3 1 1 A 87 87 LEU CB C 229 43.711 44.494 -0.783 1 1 878 . 3 1 1 A 87 87 LEU N N 229 128.223 127.645 0.578 1 1 879 . 3 1 1 A 88 88 VAL H H 230 9.291 8.906 0.385 1 1 880 . 3 1 1 A 88 88 VAL HA H 230 5.627 5.461 0.166 1 1 888 . 3 1 1 A 88 88 VAL C C 230 174.077 174.621 -0.544 1 1 889 . 3 1 1 A 88 88 VAL CA C 230 58.217 60.027 -1.810 1 1 890 . 3 1 1 A 88 88 VAL CB C 230 36.697 35.205 1.492 1 1 893 . 3 1 1 A 88 88 VAL N N 230 120.780 121.298 -0.518 1 1 894 . 3 1 1 A 89 89 VAL H H 231 8.241 8.565 -0.324 1 1 895 . 3 1 1 A 89 89 VAL HA H 231 4.814 4.733 0.081 1 1 903 . 3 1 1 A 89 89 VAL C C 231 174.661 174.858 -0.197 1 1 904 . 3 1 1 A 89 89 VAL CA C 231 58.524 60.395 -1.871 1 1 905 . 3 1 1 A 89 89 VAL CB C 231 35.588 35.305 0.283 1 1 908 . 3 1 1 A 89 89 VAL N N 231 110.935 120.874 -9.939 1 1 909 . 3 1 1 A 90 90 ASP H H 232 7.841 8.561 -0.720 1 1 910 . 3 1 1 A 90 90 ASP HA H 232 4.883 4.666 0.217 1 1 913 . 3 1 1 A 90 90 ASP C C 232 175.406 176.718 -1.312 1 1 914 . 3 1 1 A 90 90 ASP CA C 232 52.420 53.797 -1.377 1 1 915 . 3 1 1 A 90 90 ASP CB C 232 41.621 40.801 0.820 1 1 916 . 3 1 1 A 90 90 ASP N N 232 122.442 126.318 -3.876 1 1 917 . 3 1 1 A 91 91 ARG H H 233 8.780 8.940 -0.160 1 1 918 . 3 1 1 A 91 91 ARG HA H 233 4.228 4.428 -0.200 1 1 921 . 3 1 1 A 91 91 ARG C C 233 177.865 178.536 -0.671 1 1 922 . 3 1 1 A 91 91 ARG CA C 233 58.821 58.080 0.741 1 1 923 . 3 1 1 A 91 91 ARG CB C 233 29.977 30.310 -0.333 1 1 925 . 3 1 1 A 91 91 ARG N N 233 120.292 127.111 -6.819 1 1 926 . 3 1 1 A 92 92 GLU H H 234 8.663 7.607 1.056 1 1 927 . 3 1 1 A 92 92 GLU HA H 234 4.071 4.100 -0.029 1 1 932 . 3 1 1 A 92 92 GLU C C 234 178.395 179.114 -0.719 1 1 933 . 3 1 1 A 92 92 GLU CA C 234 59.115 59.232 -0.117 1 1 934 . 3 1 1 A 92 92 GLU CB C 234 29.131 29.557 -0.426 1 1 936 . 3 1 1 A 92 92 GLU N N 234 119.448 119.629 -0.181 1 1 937 . 3 1 1 A 93 93 THR H H 235 8.255 8.239 0.016 1 1 938 . 3 1 1 A 93 93 THR HA H 235 3.975 4.058 -0.083 1 1 943 . 3 1 1 A 93 93 THR C C 235 175.146 175.906 -0.760 1 1 944 . 3 1 1 A 93 93 THR CA C 235 65.516 66.906 -1.390 1 1 945 . 3 1 1 A 93 93 THR CB C 235 68.363 68.288 0.075 1 1 947 . 3 1 1 A 93 93 THR N N 235 117.260 116.103 1.157 1 1 948 . 3 1 1 A 94 94 ASP H H 236 8.302 8.272 0.030 1 1 949 . 3 1 1 A 94 94 ASP HA H 236 4.557 4.556 0.001 1 1 952 . 3 1 1 A 94 94 ASP C C 236 177.739 177.713 0.026 1 1 953 . 3 1 1 A 94 94 ASP CA C 236 55.460 57.452 -1.992 1 1 954 . 3 1 1 A 94 94 ASP CB C 236 41.093 41.725 -0.632 1 1 955 . 3 1 1 A 94 94 ASP N N 236 122.075 120.833 1.242 1 1 956 . 3 1 1 A 95 95 GLU H H 237 8.084 8.256 -0.172 1 1 957 . 3 1 1 A 95 95 GLU HA H 237 4.032 4.399 -0.367 1 1 961 . 3 1 1 A 95 95 GLU C C 237 176.899 178.957 -2.058 1 1 962 . 3 1 1 A 95 95 GLU CA C 237 57.612 58.012 -0.400 1 1 963 . 3 1 1 A 95 95 GLU CB C 237 29.393 30.540 -1.147 1 1 965 . 3 1 1 A 95 95 GLU N N 237 117.733 117.364 0.369 1 1 966 . 3 1 1 A 96 96 PHE H H 238 7.927 8.734 -0.807 1 1 967 . 3 1 1 A 96 96 PHE HA H 238 4.363 4.348 0.015 1 1 974 . 3 1 1 A 96 96 PHE C C 238 175.655 177.316 -1.661 1 1 975 . 3 1 1 A 96 96 PHE CA C 238 59.139 61.706 -2.567 1 1 976 . 3 1 1 A 96 96 PHE CB C 238 39.723 39.734 -0.011 1 1 977 . 3 1 1 A 96 96 PHE N N 238 119.312 122.212 -2.900 1 1 978 . 3 1 1 A 97 97 PHE H H 239 7.896 8.452 -0.556 1 1 979 . 3 1 1 A 97 97 PHE HA H 239 4.506 4.057 0.449 1 1 986 . 3 1 1 A 97 97 PHE C C 239 174.173 177.225 -3.052 1 1 987 . 3 1 1 A 97 97 PHE CA C 239 58.034 61.369 -3.335 1 1 988 . 3 1 1 A 97 97 PHE CB C 239 39.447 39.207 0.240 1 1 989 . 3 1 1 A 97 97 PHE N N 239 119.260 120.154 -0.894 1 1 1 . 4 1 1 A 2 2 ILE HA H 144 4.171 4.921 -0.750 1 1 11 . 4 1 1 A 2 2 ILE C C 144 175.446 173.022 2.424 1 1 12 . 4 1 1 A 2 2 ILE CA C 144 60.547 59.068 1.479 1 1 13 . 4 1 1 A 2 2 ILE CB C 144 38.500 42.186 -3.686 1 1 17 . 4 1 1 A 3 3 ASP H H 145 8.584 8.556 0.028 1 1 18 . 4 1 1 A 3 3 ASP HA H 145 4.879 4.601 0.278 1 1 21 . 4 1 1 A 3 3 ASP CA C 145 51.583 52.263 -0.680 1 1 22 . 4 1 1 A 3 3 ASP CB C 145 41.044 41.795 -0.751 1 1 23 . 4 1 1 A 3 3 ASP N N 145 127.098 128.318 -1.220 1 1 24 . 4 1 1 A 4 4 PRO HA H 146 4.290 4.367 -0.077 1 1 31 . 4 1 1 A 4 4 PRO C C 146 176.840 178.200 -1.360 1 1 32 . 4 1 1 A 4 4 PRO CA C 146 63.386 65.940 -2.554 1 1 33 . 4 1 1 A 4 4 PRO CB C 146 31.799 31.637 0.162 1 1 36 . 4 1 1 A 5 5 PHE H H 147 8.323 8.036 0.287 1 1 37 . 4 1 1 A 5 5 PHE HA H 147 4.550 4.313 0.237 1 1 44 . 4 1 1 A 5 5 PHE C C 147 176.081 175.520 0.561 1 1 45 . 4 1 1 A 5 5 PHE CA C 147 58.224 60.796 -2.572 1 1 46 . 4 1 1 A 5 5 PHE CB C 147 38.571 40.649 -2.078 1 1 47 . 4 1 1 A 5 5 PHE N N 147 118.510 118.354 0.156 1 1 48 . 4 1 1 A 6 6 THR H H 148 7.769 7.854 -0.085 1 1 49 . 4 1 1 A 6 6 THR HA H 148 4.195 4.529 -0.334 1 1 54 . 4 1 1 A 6 6 THR C C 148 173.870 172.922 0.948 1 1 55 . 4 1 1 A 6 6 THR CA C 148 62.114 61.194 0.920 1 1 56 . 4 1 1 A 6 6 THR CB C 148 69.325 70.177 -0.852 1 1 58 . 4 1 1 A 6 6 THR N N 148 114.321 106.708 7.613 1 1 59 . 4 1 1 A 7 7 MET H H 149 8.101 8.865 -0.764 1 1 60 . 4 1 1 A 7 7 MET HA H 149 4.438 4.640 -0.202 1 1 65 . 4 1 1 A 7 7 MET C C 149 175.544 176.300 -0.756 1 1 66 . 4 1 1 A 7 7 MET CA C 149 55.218 56.343 -1.125 1 1 67 . 4 1 1 A 7 7 MET CB C 149 32.224 34.849 -2.625 1 1 69 . 4 1 1 A 7 7 MET N N 149 121.779 120.937 0.842 1 1 70 . 4 1 1 A 8 8 LEU H H 150 8.110 7.990 0.120 1 1 71 . 4 1 1 A 8 8 LEU HA H 150 4.467 4.495 -0.028 1 1 81 . 4 1 1 A 8 8 LEU C C 150 175.439 176.184 -0.745 1 1 82 . 4 1 1 A 8 8 LEU CA C 150 54.333 54.367 -0.034 1 1 83 . 4 1 1 A 8 8 LEU CB C 150 40.631 43.058 -2.427 1 1 86 . 4 1 1 A 8 8 LEU N N 150 123.383 118.610 4.773 1 1 87 . 4 1 1 A 9 9 ARG H H 151 7.900 7.404 0.496 1 1 88 . 4 1 1 A 9 9 ARG HA H 151 4.769 4.330 0.439 1 1 93 . 4 1 1 A 9 9 ARG CA C 151 52.792 55.309 -2.517 1 1 94 . 4 1 1 A 9 9 ARG CB C 151 30.717 30.556 0.161 1 1 96 . 4 1 1 A 9 9 ARG N N 151 119.907 118.539 1.368 1 1 97 . 4 1 1 A 10 10 PRO HA H 152 4.546 4.724 -0.178 1 1 104 . 4 1 1 A 10 10 PRO C C 152 175.520 176.173 -0.653 1 1 105 . 4 1 1 A 10 10 PRO CA C 152 62.580 62.367 0.213 1 1 106 . 4 1 1 A 10 10 PRO CB C 152 31.507 32.474 -0.967 1 1 109 . 4 1 1 A 11 11 ARG H H 153 8.987 9.320 -0.333 1 1 110 . 4 1 1 A 11 11 ARG HA H 153 4.462 4.821 -0.359 1 1 113 . 4 1 1 A 11 11 ARG C C 153 173.260 174.375 -1.115 1 1 114 . 4 1 1 A 11 11 ARG CA C 153 54.652 54.637 0.015 1 1 115 . 4 1 1 A 11 11 ARG CB C 153 32.449 33.791 -1.342 1 1 116 . 4 1 1 A 11 11 ARG N N 153 122.642 120.753 1.889 1 1 117 . 4 1 1 A 12 12 LEU H H 154 8.675 8.762 -0.087 1 1 118 . 4 1 1 A 12 12 LEU HA H 154 4.926 5.046 -0.120 1 1 127 . 4 1 1 A 12 12 LEU C C 154 176.282 174.766 1.516 1 1 128 . 4 1 1 A 12 12 LEU CA C 154 53.222 53.684 -0.462 1 1 129 . 4 1 1 A 12 12 LEU CB C 154 42.382 44.516 -2.134 1 1 132 . 4 1 1 A 12 12 LEU N N 154 125.776 123.618 2.158 1 1 133 . 4 1 1 A 13 13 CYS H H 155 9.509 9.650 -0.141 1 1 134 . 4 1 1 A 13 13 CYS HA H 155 4.762 5.276 -0.514 1 1 137 . 4 1 1 A 13 13 CYS C C 155 173.211 173.331 -0.120 1 1 138 . 4 1 1 A 13 13 CYS CA C 155 57.646 57.391 0.255 1 1 139 . 4 1 1 A 13 13 CYS CB C 155 28.495 30.922 -2.427 1 1 140 . 4 1 1 A 13 13 CYS N N 155 130.053 125.772 4.281 1 1 141 . 4 1 1 A 14 14 THR H H 156 8.979 8.951 0.028 1 1 142 . 4 1 1 A 14 14 THR HA H 156 4.927 5.084 -0.157 1 1 147 . 4 1 1 A 14 14 THR C C 156 172.990 173.600 -0.610 1 1 148 . 4 1 1 A 14 14 THR CA C 156 61.216 61.723 -0.507 1 1 149 . 4 1 1 A 14 14 THR CB C 156 69.306 71.011 -1.705 1 1 151 . 4 1 1 A 14 14 THR N N 156 122.811 120.694 2.117 1 1 152 . 4 1 1 A 15 15 MET H H 157 8.889 8.787 0.102 1 1 153 . 4 1 1 A 15 15 MET HA H 157 5.006 5.412 -0.406 1 1 157 . 4 1 1 A 15 15 MET C C 157 176.000 175.088 0.912 1 1 158 . 4 1 1 A 15 15 MET CA C 157 54.167 53.221 0.946 1 1 159 . 4 1 1 A 15 15 MET CB C 157 39.030 34.657 4.373 1 1 160 . 4 1 1 A 15 15 MET N N 157 121.855 124.322 -2.467 1 1 161 . 4 1 1 A 16 16 LYS H H 158 8.614 8.903 -0.289 1 1 162 . 4 1 1 A 16 16 LYS HA H 158 5.262 4.797 0.465 1 1 167 . 4 1 1 A 16 16 LYS C C 158 175.677 176.810 -1.133 1 1 168 . 4 1 1 A 16 16 LYS CA C 158 54.283 55.224 -0.941 1 1 169 . 4 1 1 A 16 16 LYS CB C 158 34.677 33.906 0.771 1 1 172 . 4 1 1 A 16 16 LYS N N 158 122.373 122.773 -0.400 1 1 173 . 4 1 1 A 17 17 LYS H H 159 8.519 9.485 -0.966 1 1 174 . 4 1 1 A 17 17 LYS HA H 159 3.208 3.755 -0.547 1 1 179 . 4 1 1 A 17 17 LYS C C 159 176.799 176.307 0.492 1 1 180 . 4 1 1 A 17 17 LYS CA C 159 58.532 59.118 -0.586 1 1 181 . 4 1 1 A 17 17 LYS CB C 159 33.471 32.155 1.316 1 1 184 . 4 1 1 A 17 17 LYS N N 159 123.623 126.253 -2.630 1 1 185 . 4 1 1 A 18 18 GLY H H 160 7.222 7.836 -0.614 1 1 186 . 4 1 1 A 18 18 GLY HA2 H 160 4.578 3.968 0.610 1 1 187 . 4 1 1 A 18 18 GLY HA3 H 160 3.950 3.973 -0.023 1 1 188 . 4 1 1 A 18 18 GLY CA C 160 44.160 44.931 -0.771 1 1 189 . 4 1 1 A 18 18 GLY N N 160 111.304 107.139 4.165 1 1 190 . 4 1 1 A 19 19 PRO HA H 161 4.307 4.497 -0.190 1 1 197 . 4 1 1 A 19 19 PRO C C 161 177.523 176.991 0.532 1 1 198 . 4 1 1 A 19 19 PRO CA C 161 64.766 63.962 0.804 1 1 199 . 4 1 1 A 19 19 PRO CB C 161 31.509 32.563 -1.054 1 1 202 . 4 1 1 A 20 20 SER H H 162 8.462 7.644 0.818 1 1 203 . 4 1 1 A 20 20 SER HA H 162 4.708 4.528 0.180 1 1 206 . 4 1 1 A 20 20 SER C C 162 173.887 174.365 -0.478 1 1 207 . 4 1 1 A 20 20 SER CA C 162 56.541 58.517 -1.976 1 1 208 . 4 1 1 A 20 20 SER CB C 162 63.086 65.437 -2.351 1 1 209 . 4 1 1 A 20 20 SER N N 162 111.594 111.907 -0.313 1 1 210 . 4 1 1 A 21 21 GLY H H 163 7.730 8.224 -0.494 1 1 211 . 4 1 1 A 21 21 GLY HA2 H 163 4.477 3.682 0.795 1 1 212 . 4 1 1 A 21 21 GLY HA3 H 163 3.242 3.847 -0.605 1 1 213 . 4 1 1 A 21 21 GLY CA C 163 43.895 44.471 -0.576 1 1 214 . 4 1 1 A 21 21 GLY N N 163 108.656 108.841 -0.185 1 1 215 . 4 1 1 A 22 22 TYR H H 164 7.210 8.311 -1.101 1 1 216 . 4 1 1 A 22 22 TYR HA H 164 4.366 4.366 0.000 1 1 223 . 4 1 1 A 22 22 TYR C C 164 176.198 176.241 -0.043 1 1 224 . 4 1 1 A 22 22 TYR CA C 164 60.930 59.044 1.886 1 1 225 . 4 1 1 A 22 22 TYR CB C 164 40.660 39.238 1.422 1 1 226 . 4 1 1 A 23 23 GLY H H 165 8.600 8.572 0.028 1 1 227 . 4 1 1 A 23 23 GLY HA2 H 165 4.511 3.919 0.592 1 1 228 . 4 1 1 A 23 23 GLY HA3 H 165 3.886 3.953 -0.067 1 1 229 . 4 1 1 A 23 23 GLY C C 165 172.930 173.834 -0.904 1 1 230 . 4 1 1 A 23 23 GLY CA C 165 45.013 45.814 -0.801 1 1 231 . 4 1 1 A 23 23 GLY N N 165 103.183 108.160 -4.977 1 1 232 . 4 1 1 A 24 24 PHE H H 166 6.855 8.087 -1.232 1 1 233 . 4 1 1 A 24 24 PHE HA H 166 5.629 5.181 0.448 1 1 241 . 4 1 1 A 24 24 PHE C C 166 172.417 173.599 -1.182 1 1 242 . 4 1 1 A 24 24 PHE CA C 166 54.693 55.471 -0.778 1 1 243 . 4 1 1 A 24 24 PHE CB C 166 42.235 41.849 0.386 1 1 244 . 4 1 1 A 24 24 PHE N N 166 111.547 115.712 -4.165 1 1 245 . 4 1 1 A 25 25 ASN H H 167 8.121 9.497 -1.376 1 1 246 . 4 1 1 A 25 25 ASN HA H 167 5.097 5.539 -0.442 1 1 251 . 4 1 1 A 25 25 ASN C C 167 174.068 174.329 -0.261 1 1 252 . 4 1 1 A 25 25 ASN CA C 167 51.521 52.112 -0.591 1 1 253 . 4 1 1 A 25 25 ASN CB C 167 41.155 42.467 -1.312 1 1 254 . 4 1 1 A 25 25 ASN N N 167 117.619 117.258 0.361 1 1 256 . 4 1 1 A 26 26 LEU H H 168 9.287 8.653 0.634 1 1 257 . 4 1 1 A 26 26 LEU HA H 168 5.369 5.141 0.228 1 1 266 . 4 1 1 A 26 26 LEU C C 168 176.491 175.706 0.785 1 1 267 . 4 1 1 A 26 26 LEU CA C 168 54.171 53.737 0.434 1 1 268 . 4 1 1 A 26 26 LEU CB C 168 44.783 45.688 -0.905 1 1 272 . 4 1 1 A 26 26 LEU N N 168 123.933 120.871 3.062 1 1 273 . 4 1 1 A 27 27 HIS H H 169 9.466 9.906 -0.440 1 1 274 . 4 1 1 A 27 27 HIS HA H 169 4.922 5.578 -0.656 1 1 276 . 4 1 1 A 27 27 HIS CA C 169 56.019 53.502 2.517 1 1 277 . 4 1 1 A 27 27 HIS CB C 169 33.352 32.812 0.540 1 1 278 . 4 1 1 A 27 27 HIS N N 169 119.976 120.200 -0.224 1 1 279 . 4 1 1 A 28 28 SER HA H 170 4.703 4.886 -0.183 1 1 282 . 4 1 1 A 28 28 SER C C 170 172.451 173.501 -1.050 1 1 283 . 4 1 1 A 28 28 SER CA C 170 57.104 56.267 0.837 1 1 284 . 4 1 1 A 28 28 SER CB C 170 63.937 65.010 -1.073 1 1 285 . 4 1 1 A 29 29 ASP H H 171 9.230 8.296 0.934 1 1 286 . 4 1 1 A 29 29 ASP HA H 171 4.591 4.397 0.194 1 1 289 . 4 1 1 A 29 29 ASP CA C 171 53.406 54.673 -1.267 1 1 290 . 4 1 1 A 29 29 ASP CB C 171 43.831 41.928 1.903 1 1 291 . 4 1 1 A 29 29 ASP N N 171 123.447 124.673 -1.226 1 1 292 . 4 1 1 A 30 30 LYS HA H 172 4.148 4.451 -0.303 1 1 298 . 4 1 1 A 30 30 LYS C C 172 176.768 176.578 0.190 1 1 299 . 4 1 1 A 30 30 LYS CA C 172 57.755 55.279 2.476 1 1 300 . 4 1 1 A 30 30 LYS CB C 172 31.872 33.724 -1.852 1 1 301 . 4 1 1 A 31 31 SER H H 173 8.803 8.763 0.040 1 1 302 . 4 1 1 A 31 31 SER HA H 173 4.419 4.619 -0.200 1 1 304 . 4 1 1 A 31 31 SER C C 173 173.570 175.132 -1.562 1 1 305 . 4 1 1 A 31 31 SER CA C 173 59.354 59.876 -0.522 1 1 306 . 4 1 1 A 31 31 SER CB C 173 64.113 64.389 -0.276 1 1 307 . 4 1 1 A 31 31 SER N N 173 115.001 115.948 -0.947 1 1 308 . 4 1 1 A 32 32 LYS H H 174 7.893 7.882 0.011 1 1 309 . 4 1 1 A 32 32 LYS HA H 174 4.804 4.454 0.350 1 1 316 . 4 1 1 A 32 32 LYS CA C 174 53.258 57.936 -4.678 1 1 317 . 4 1 1 A 32 32 LYS CB C 174 33.448 34.358 -0.910 1 1 321 . 4 1 1 A 32 32 LYS N N 174 122.863 117.414 5.449 1 1 322 . 4 1 1 A 33 33 PRO HA H 175 4.592 4.597 -0.005 1 1 329 . 4 1 1 A 33 33 PRO C C 175 176.188 177.211 -1.023 1 1 330 . 4 1 1 A 33 33 PRO CA C 175 62.823 66.162 -3.339 1 1 331 . 4 1 1 A 33 33 PRO CB C 175 32.076 31.137 0.939 1 1 334 . 4 1 1 A 34 34 GLY H H 176 8.328 8.212 0.116 1 1 335 . 4 1 1 A 34 34 GLY HA2 H 176 4.179 3.834 0.345 1 1 336 . 4 1 1 A 34 34 GLY HA3 H 176 3.713 4.140 -0.427 1 1 337 . 4 1 1 A 34 34 GLY C C 176 172.298 172.876 -0.578 1 1 338 . 4 1 1 A 34 34 GLY CA C 176 43.770 45.600 -1.830 1 1 339 . 4 1 1 A 34 34 GLY N N 176 108.419 107.637 0.782 1 1 340 . 4 1 1 A 35 35 GLN H H 177 8.673 8.035 0.638 1 1 341 . 4 1 1 A 35 35 GLN HA H 177 4.761 5.042 -0.281 1 1 347 . 4 1 1 A 35 35 GLN C C 177 173.569 174.049 -0.480 1 1 348 . 4 1 1 A 35 35 GLN CA C 177 53.731 54.530 -0.799 1 1 349 . 4 1 1 A 35 35 GLN CB C 177 29.555 32.120 -2.565 1 1 351 . 4 1 1 A 35 35 GLN N N 177 117.933 121.653 -3.720 1 1 353 . 4 1 1 A 36 36 PHE H H 178 8.799 8.895 -0.096 1 1 354 . 4 1 1 A 36 36 PHE HA H 178 5.447 4.877 0.570 1 1 361 . 4 1 1 A 36 36 PHE C C 178 175.427 175.307 0.120 1 1 362 . 4 1 1 A 36 36 PHE CA C 178 55.349 56.634 -1.285 1 1 363 . 4 1 1 A 36 36 PHE CB C 178 42.486 42.316 0.170 1 1 364 . 4 1 1 A 36 36 PHE N N 178 120.404 124.096 -3.692 1 1 365 . 4 1 1 A 37 37 ILE H H 179 9.203 8.537 0.666 1 1 366 . 4 1 1 A 37 37 ILE HA H 179 4.322 4.167 0.155 1 1 376 . 4 1 1 A 37 37 ILE C C 179 176.207 177.215 -1.008 1 1 377 . 4 1 1 A 37 37 ILE CA C 179 58.611 61.688 -3.077 1 1 378 . 4 1 1 A 37 37 ILE CB C 179 34.911 37.899 -2.988 1 1 380 . 4 1 1 A 37 37 ILE N N 179 120.720 125.468 -4.748 1 1 381 . 4 1 1 A 38 38 ARG H H 180 9.453 8.763 0.690 1 1 382 . 4 1 1 A 38 38 ARG HA H 180 3.951 4.075 -0.124 1 1 389 . 4 1 1 A 38 38 ARG C C 180 175.332 176.070 -0.738 1 1 390 . 4 1 1 A 38 38 ARG CA C 180 58.035 56.703 1.332 1 1 391 . 4 1 1 A 38 38 ARG CB C 180 30.593 31.232 -0.639 1 1 393 . 4 1 1 A 38 38 ARG N N 180 132.453 125.456 6.997 1 1 394 . 4 1 1 A 39 39 SER H H 181 7.529 7.663 -0.134 1 1 395 . 4 1 1 A 39 39 SER HA H 181 4.553 4.731 -0.178 1 1 397 . 4 1 1 A 39 39 SER C C 181 170.792 172.209 -1.417 1 1 398 . 4 1 1 A 39 39 SER CA C 181 56.629 57.415 -0.786 1 1 399 . 4 1 1 A 39 39 SER CB C 181 64.756 65.370 -0.614 1 1 400 . 4 1 1 A 39 39 SER N N 181 109.145 113.121 -3.976 1 1 401 . 4 1 1 A 40 40 VAL H H 182 8.595 8.571 0.024 1 1 402 . 4 1 1 A 40 40 VAL HA H 182 4.609 4.855 -0.246 1 1 410 . 4 1 1 A 40 40 VAL C C 182 175.150 174.037 1.113 1 1 411 . 4 1 1 A 40 40 VAL CA C 182 60.603 60.485 0.118 1 1 412 . 4 1 1 A 40 40 VAL CB C 182 34.480 35.757 -1.277 1 1 415 . 4 1 1 A 40 40 VAL N N 182 119.939 122.720 -2.781 1 1 416 . 4 1 1 A 41 41 ASP H H 183 9.410 9.212 0.198 1 1 417 . 4 1 1 A 41 41 ASP HA H 183 4.770 4.943 -0.173 1 1 420 . 4 1 1 A 41 41 ASP CA C 183 52.418 51.311 1.107 1 1 421 . 4 1 1 A 41 41 ASP CB C 183 39.357 42.049 -2.692 1 1 422 . 4 1 1 A 41 41 ASP N N 183 129.870 127.720 2.150 1 1 423 . 4 1 1 A 42 42 PRO HA H 184 4.551 4.346 0.205 1 1 429 . 4 1 1 A 42 42 PRO C C 184 176.520 177.146 -0.626 1 1 430 . 4 1 1 A 42 42 PRO CA C 184 62.915 63.795 -0.880 1 1 431 . 4 1 1 A 42 42 PRO CB C 184 31.844 31.736 0.108 1 1 434 . 4 1 1 A 43 43 ASP H H 185 9.250 8.941 0.309 1 1 435 . 4 1 1 A 43 43 ASP HA H 185 4.356 4.337 0.019 1 1 438 . 4 1 1 A 43 43 ASP C C 185 173.959 174.727 -0.768 1 1 439 . 4 1 1 A 43 43 ASP CA C 185 55.638 55.606 0.032 1 1 440 . 4 1 1 A 43 43 ASP CB C 185 39.100 40.405 -1.305 1 1 441 . 4 1 1 A 43 43 ASP N N 185 118.710 122.462 -3.752 1 1 442 . 4 1 1 A 44 44 SER H H 186 7.336 7.602 -0.266 1 1 443 . 4 1 1 A 44 44 SER HA H 186 4.953 4.841 0.112 1 1 445 . 4 1 1 A 44 44 SER CA C 186 56.329 56.574 -0.245 1 1 446 . 4 1 1 A 44 44 SER CB C 186 65.440 63.907 1.533 1 1 447 . 4 1 1 A 44 44 SER N N 186 111.769 114.937 -3.168 1 1 448 . 4 1 1 A 45 45 PRO HA H 187 4.522 4.207 0.315 1 1 455 . 4 1 1 A 45 45 PRO C C 187 179.929 178.034 1.895 1 1 456 . 4 1 1 A 45 45 PRO CA C 187 65.133 65.723 -0.590 1 1 457 . 4 1 1 A 45 45 PRO CB C 187 32.682 31.752 0.930 1 1 459 . 4 1 1 A 46 46 ALA H H 188 8.492 7.917 0.575 1 1 460 . 4 1 1 A 46 46 ALA HA H 188 4.378 3.997 0.381 1 1 464 . 4 1 1 A 46 46 ALA C C 188 175.528 180.050 -4.522 1 1 465 . 4 1 1 A 46 46 ALA CA C 188 54.584 55.453 -0.869 1 1 466 . 4 1 1 A 46 46 ALA CB C 188 19.714 18.024 1.690 1 1 467 . 4 1 1 A 46 46 ALA N N 188 118.684 118.808 -0.124 1 1 468 . 4 1 1 A 47 47 GLU H H 189 8.266 8.059 0.207 1 1 469 . 4 1 1 A 47 47 GLU HA H 189 3.881 3.971 -0.090 1 1 472 . 4 1 1 A 47 47 GLU C C 189 173.891 178.491 -4.600 1 1 473 . 4 1 1 A 47 47 GLU CA C 189 59.881 59.392 0.489 1 1 474 . 4 1 1 A 47 47 GLU CB C 189 29.830 29.629 0.201 1 1 475 . 4 1 1 A 47 47 GLU N N 189 122.834 118.381 4.453 1 1 476 . 4 1 1 A 48 48 ALA H H 190 8.378 8.665 -0.287 1 1 477 . 4 1 1 A 48 48 ALA HA H 190 4.228 4.115 0.113 1 1 481 . 4 1 1 A 48 48 ALA C C 190 178.612 179.755 -1.143 1 1 482 . 4 1 1 A 48 48 ALA CA C 190 54.522 54.484 0.038 1 1 483 . 4 1 1 A 48 48 ALA CB C 190 17.980 18.519 -0.539 1 1 484 . 4 1 1 A 48 48 ALA N N 190 122.847 122.122 0.725 1 1 485 . 4 1 1 A 49 49 SER H H 191 7.949 7.359 0.590 1 1 486 . 4 1 1 A 49 49 SER HA H 191 4.544 4.501 0.043 1 1 489 . 4 1 1 A 49 49 SER C C 191 174.409 174.601 -0.192 1 1 490 . 4 1 1 A 49 49 SER CA C 191 59.717 58.647 1.070 1 1 491 . 4 1 1 A 49 49 SER CB C 191 64.762 63.626 1.136 1 1 492 . 4 1 1 A 49 49 SER N N 191 112.314 110.611 1.703 1 1 493 . 4 1 1 A 50 50 GLY H H 192 7.604 8.007 -0.403 1 1 494 . 4 1 1 A 50 50 GLY HA2 H 192 4.427 4.065 0.362 1 1 495 . 4 1 1 A 50 50 GLY HA3 H 192 3.714 4.068 -0.354 1 1 496 . 4 1 1 A 50 50 GLY C C 192 173.516 174.423 -0.907 1 1 497 . 4 1 1 A 50 50 GLY CA C 192 44.654 44.891 -0.237 1 1 498 . 4 1 1 A 50 50 GLY N N 192 107.849 108.972 -1.123 1 1 499 . 4 1 1 A 51 51 LEU H H 193 7.268 8.007 -0.739 1 1 500 . 4 1 1 A 51 51 LEU HA H 193 3.969 4.240 -0.271 1 1 510 . 4 1 1 A 51 51 LEU C C 193 174.799 175.695 -0.896 1 1 511 . 4 1 1 A 51 51 LEU CA C 193 55.198 55.862 -0.664 1 1 512 . 4 1 1 A 51 51 LEU CB C 193 43.724 42.703 1.021 1 1 515 . 4 1 1 A 51 51 LEU N N 193 124.317 123.106 1.211 1 1 516 . 4 1 1 A 52 52 ARG H H 194 8.891 8.967 -0.076 1 1 517 . 4 1 1 A 52 52 ARG HA H 194 4.613 4.996 -0.383 1 1 521 . 4 1 1 A 52 52 ARG C C 194 174.936 175.524 -0.588 1 1 522 . 4 1 1 A 52 52 ARG CA C 194 54.127 53.928 0.199 1 1 523 . 4 1 1 A 52 52 ARG CB C 194 34.156 33.916 0.240 1 1 524 . 4 1 1 A 52 52 ARG N N 194 124.468 125.107 -0.639 1 1 525 . 4 1 1 A 53 53 ALA H H 195 8.677 8.578 0.099 1 1 526 . 4 1 1 A 53 53 ALA HA H 195 3.682 4.073 -0.391 1 1 530 . 4 1 1 A 53 53 ALA C C 195 178.524 178.229 0.295 1 1 531 . 4 1 1 A 53 53 ALA CA C 195 53.523 52.840 0.683 1 1 532 . 4 1 1 A 53 53 ALA CB C 195 17.963 19.232 -1.269 1 1 533 . 4 1 1 A 53 53 ALA N N 195 122.213 127.523 -5.310 1 1 534 . 4 1 1 A 54 54 GLN H H 196 9.490 9.493 -0.003 1 1 535 . 4 1 1 A 54 54 GLN HA H 196 4.032 4.148 -0.116 1 1 541 . 4 1 1 A 54 54 GLN C C 196 174.503 174.549 -0.046 1 1 542 . 4 1 1 A 54 54 GLN CA C 196 58.036 57.834 0.202 1 1 543 . 4 1 1 A 54 54 GLN CB C 196 26.208 27.108 -0.900 1 1 544 . 4 1 1 A 54 54 GLN N N 196 115.882 115.868 0.014 1 1 546 . 4 1 1 A 55 55 ASP H H 197 7.798 7.699 0.099 1 1 547 . 4 1 1 A 55 55 ASP HA H 197 4.757 5.051 -0.294 1 1 550 . 4 1 1 A 55 55 ASP C C 197 174.629 175.777 -1.148 1 1 551 . 4 1 1 A 55 55 ASP CA C 197 55.315 53.708 1.607 1 1 552 . 4 1 1 A 55 55 ASP CB C 197 41.416 41.887 -0.471 1 1 553 . 4 1 1 A 55 55 ASP N N 197 121.039 119.331 1.708 1 1 554 . 4 1 1 A 56 56 ARG H H 198 8.938 8.425 0.513 1 1 555 . 4 1 1 A 56 56 ARG HA H 198 4.430 4.329 0.101 1 1 557 . 4 1 1 A 56 56 ARG C C 198 174.400 175.165 -0.765 1 1 558 . 4 1 1 A 56 56 ARG CA C 198 54.273 55.695 -1.422 1 1 559 . 4 1 1 A 56 56 ARG CB C 198 32.499 30.490 2.009 1 1 560 . 4 1 1 A 56 56 ARG N N 198 122.032 121.933 0.099 1 1 561 . 4 1 1 A 57 57 ILE H H 199 8.179 8.335 -0.156 1 1 562 . 4 1 1 A 57 57 ILE HA H 199 3.746 4.070 -0.324 1 1 572 . 4 1 1 A 57 57 ILE C C 199 174.272 175.687 -1.415 1 1 573 . 4 1 1 A 57 57 ILE CA C 199 62.349 61.862 0.487 1 1 574 . 4 1 1 A 57 57 ILE CB C 199 38.071 36.874 1.197 1 1 578 . 4 1 1 A 57 57 ILE N N 199 124.246 126.614 -2.368 1 1 579 . 4 1 1 A 58 58 VAL H H 200 9.389 8.932 0.457 1 1 580 . 4 1 1 A 58 58 VAL HA H 200 4.107 4.061 0.046 1 1 588 . 4 1 1 A 58 58 VAL C C 200 176.755 176.354 0.401 1 1 589 . 4 1 1 A 58 58 VAL CA C 200 63.067 63.670 -0.603 1 1 590 . 4 1 1 A 58 58 VAL CB C 200 32.894 32.880 0.014 1 1 592 . 4 1 1 A 58 58 VAL N N 200 127.780 128.476 -0.696 1 1 593 . 4 1 1 A 59 59 GLU H H 201 7.850 7.463 0.387 1 1 594 . 4 1 1 A 59 59 GLU HA H 201 5.126 4.966 0.160 1 1 598 . 4 1 1 A 59 59 GLU C C 201 175.123 174.009 1.114 1 1 599 . 4 1 1 A 59 59 GLU CA C 201 54.610 54.658 -0.048 1 1 600 . 4 1 1 A 59 59 GLU CB C 201 34.407 32.971 1.436 1 1 602 . 4 1 1 A 59 59 GLU N N 201 116.847 116.175 0.672 1 1 603 . 4 1 1 A 60 60 VAL H H 202 8.110 8.296 -0.186 1 1 604 . 4 1 1 A 60 60 VAL HA H 202 4.433 4.432 0.001 1 1 612 . 4 1 1 A 60 60 VAL C C 202 175.772 176.165 -0.393 1 1 613 . 4 1 1 A 60 60 VAL CA C 202 60.952 61.371 -0.419 1 1 614 . 4 1 1 A 60 60 VAL CB C 202 33.802 34.236 -0.434 1 1 616 . 4 1 1 A 60 60 VAL N N 202 118.751 119.411 -0.660 1 1 617 . 4 1 1 A 61 61 ASN H H 203 9.900 9.837 0.063 1 1 618 . 4 1 1 A 61 61 ASN HA H 203 4.312 4.401 -0.089 1 1 621 . 4 1 1 A 61 61 ASN C C 203 174.718 174.495 0.223 1 1 622 . 4 1 1 A 61 61 ASN CA C 203 54.260 54.114 0.146 1 1 623 . 4 1 1 A 61 61 ASN CB C 203 36.965 37.449 -0.484 1 1 624 . 4 1 1 A 61 61 ASN N N 203 128.765 125.695 3.070 1 1 625 . 4 1 1 A 62 62 GLY H H 204 9.192 7.879 1.313 1 1 626 . 4 1 1 A 62 62 GLY HA2 H 204 3.979 3.867 0.112 1 1 627 . 4 1 1 A 62 62 GLY HA3 H 204 3.734 3.870 -0.136 1 1 628 . 4 1 1 A 62 62 GLY C C 204 173.240 174.510 -1.270 1 1 629 . 4 1 1 A 62 62 GLY CA C 204 44.996 45.040 -0.044 1 1 630 . 4 1 1 A 62 62 GLY N N 204 103.295 104.787 -1.492 1 1 631 . 4 1 1 A 63 63 VAL H H 205 7.792 7.480 0.312 1 1 632 . 4 1 1 A 63 63 VAL HA H 205 4.085 4.168 -0.083 1 1 637 . 4 1 1 A 63 63 VAL C C 205 174.605 174.616 -0.011 1 1 638 . 4 1 1 A 63 63 VAL CA C 205 61.373 61.295 0.078 1 1 639 . 4 1 1 A 63 63 VAL CB C 205 32.623 31.148 1.475 1 1 642 . 4 1 1 A 63 63 VAL N N 205 122.193 119.599 2.594 1 1 643 . 4 1 1 A 64 64 CYS H H 206 8.878 8.536 0.342 1 1 644 . 4 1 1 A 64 64 CYS HA H 206 4.265 4.656 -0.391 1 1 647 . 4 1 1 A 64 64 CYS C C 206 176.086 173.910 2.176 1 1 648 . 4 1 1 A 64 64 CYS CA C 206 61.148 58.194 2.954 1 1 649 . 4 1 1 A 64 64 CYS CB C 206 27.938 28.172 -0.234 1 1 650 . 4 1 1 A 64 64 CYS N N 206 128.575 127.493 1.082 1 1 651 . 4 1 1 A 65 65 MET H H 207 8.413 8.458 -0.045 1 1 652 . 4 1 1 A 65 65 MET HA H 207 4.877 5.154 -0.277 1 1 654 . 4 1 1 A 65 65 MET CA C 207 52.697 54.397 -1.700 1 1 655 . 4 1 1 A 65 65 MET CB C 207 33.908 35.112 -1.204 1 1 656 . 4 1 1 A 65 65 MET N N 207 125.926 126.904 -0.978 1 1 657 . 4 1 1 A 66 66 GLU H H 208 8.768 8.742 0.026 1 1 658 . 4 1 1 A 66 66 GLU HA H 208 4.187 4.115 0.072 1 1 662 . 4 1 1 A 66 66 GLU C C 208 177.644 176.891 0.753 1 1 663 . 4 1 1 A 66 66 GLU CA C 208 58.586 57.586 1.000 1 1 664 . 4 1 1 A 66 66 GLU CB C 208 28.916 29.758 -0.842 1 1 665 . 4 1 1 A 67 67 GLY H H 209 9.144 8.784 0.360 1 1 666 . 4 1 1 A 67 67 GLY HA2 H 209 4.156 3.995 0.161 1 1 667 . 4 1 1 A 67 67 GLY HA3 H 209 3.746 3.999 -0.253 1 1 668 . 4 1 1 A 67 67 GLY C C 209 173.880 174.657 -0.777 1 1 669 . 4 1 1 A 67 67 GLY CA C 209 45.339 44.941 0.398 1 1 670 . 4 1 1 A 67 67 GLY N N 209 114.503 114.665 -0.162 1 1 671 . 4 1 1 A 68 68 LYS H H 210 7.585 7.179 0.406 1 1 672 . 4 1 1 A 68 68 LYS HA H 210 4.550 4.246 0.304 1 1 675 . 4 1 1 A 68 68 LYS C C 210 176.239 176.111 0.128 1 1 676 . 4 1 1 A 68 68 LYS CA C 210 54.802 56.787 -1.985 1 1 677 . 4 1 1 A 68 68 LYS CB C 210 32.493 33.668 -1.175 1 1 679 . 4 1 1 A 68 68 LYS N N 210 119.299 120.738 -1.439 1 1 680 . 4 1 1 A 69 69 GLN H H 211 9.176 8.763 0.413 1 1 681 . 4 1 1 A 69 69 GLN HA H 211 4.534 4.824 -0.290 1 1 688 . 4 1 1 A 69 69 GLN C C 211 176.499 177.397 -0.898 1 1 689 . 4 1 1 A 69 69 GLN CA C 211 54.286 55.666 -1.380 1 1 690 . 4 1 1 A 69 69 GLN CB C 211 30.414 29.594 0.820 1 1 692 . 4 1 1 A 69 69 GLN N N 211 119.518 121.344 -1.826 1 1 694 . 4 1 1 A 70 70 HIS H H 212 9.097 9.051 0.046 1 1 695 . 4 1 1 A 70 70 HIS HA H 212 3.866 4.117 -0.251 1 1 698 . 4 1 1 A 70 70 HIS C C 212 176.987 177.221 -0.234 1 1 699 . 4 1 1 A 70 70 HIS CA C 212 61.326 59.659 1.667 1 1 700 . 4 1 1 A 70 70 HIS CB C 212 30.480 30.504 -0.024 1 1 701 . 4 1 1 A 70 70 HIS N N 212 122.474 122.921 -0.447 1 1 702 . 4 1 1 A 71 71 GLY H H 213 9.138 8.504 0.634 1 1 703 . 4 1 1 A 71 71 GLY HA2 H 213 3.930 3.624 0.306 1 1 704 . 4 1 1 A 71 71 GLY HA3 H 213 3.693 3.643 0.050 1 1 705 . 4 1 1 A 71 71 GLY C C 213 176.374 175.993 0.381 1 1 706 . 4 1 1 A 71 71 GLY CA C 213 46.837 47.139 -0.302 1 1 707 . 4 1 1 A 71 71 GLY N N 213 103.821 106.284 -2.463 1 1 708 . 4 1 1 A 72 72 ASP H H 214 7.344 7.857 -0.513 1 1 709 . 4 1 1 A 72 72 ASP HA H 214 4.499 4.361 0.138 1 1 712 . 4 1 1 A 72 72 ASP C C 214 178.391 178.706 -0.315 1 1 713 . 4 1 1 A 72 72 ASP CA C 214 56.650 56.854 -0.204 1 1 714 . 4 1 1 A 72 72 ASP CB C 214 41.284 40.956 0.328 1 1 715 . 4 1 1 A 72 72 ASP N N 214 120.357 123.130 -2.773 1 1 716 . 4 1 1 A 73 73 VAL H H 215 7.697 8.665 -0.968 1 1 717 . 4 1 1 A 73 73 VAL HA H 215 3.804 3.630 0.174 1 1 725 . 4 1 1 A 73 73 VAL C C 215 177.258 178.749 -1.491 1 1 726 . 4 1 1 A 73 73 VAL CA C 215 65.957 66.221 -0.264 1 1 727 . 4 1 1 A 73 73 VAL CB C 215 31.411 31.578 -0.167 1 1 730 . 4 1 1 A 73 73 VAL N N 215 123.318 120.412 2.906 1 1 731 . 4 1 1 A 74 74 VAL H H 216 8.144 8.329 -0.185 1 1 732 . 4 1 1 A 74 74 VAL HA H 216 3.474 3.585 -0.111 1 1 740 . 4 1 1 A 74 74 VAL C C 216 178.839 177.996 0.843 1 1 741 . 4 1 1 A 74 74 VAL CA C 216 66.866 66.345 0.521 1 1 742 . 4 1 1 A 74 74 VAL CB C 216 31.496 31.382 0.114 1 1 745 . 4 1 1 A 74 74 VAL N N 216 118.785 121.416 -2.631 1 1 746 . 4 1 1 A 75 75 SER H H 217 8.153 8.829 -0.676 1 1 747 . 4 1 1 A 75 75 SER HA H 217 4.131 4.102 0.029 1 1 750 . 4 1 1 A 75 75 SER C C 217 176.246 176.187 0.059 1 1 751 . 4 1 1 A 75 75 SER CA C 217 62.198 62.165 0.033 1 1 752 . 4 1 1 A 75 75 SER CB C 217 65.986 62.850 3.136 1 1 753 . 4 1 1 A 75 75 SER N N 217 115.428 115.760 -0.332 1 1 754 . 4 1 1 A 76 76 ALA H H 218 7.873 8.155 -0.282 1 1 755 . 4 1 1 A 76 76 ALA HA H 218 4.220 4.124 0.096 1 1 759 . 4 1 1 A 76 76 ALA C C 218 180.251 179.957 0.294 1 1 760 . 4 1 1 A 76 76 ALA CA C 218 54.649 55.211 -0.562 1 1 761 . 4 1 1 A 76 76 ALA CB C 218 17.519 18.137 -0.618 1 1 762 . 4 1 1 A 76 76 ALA N N 218 125.449 123.009 2.440 1 1 763 . 4 1 1 A 77 77 ILE H H 219 8.357 7.601 0.756 1 1 764 . 4 1 1 A 77 77 ILE HA H 219 3.511 3.576 -0.065 1 1 774 . 4 1 1 A 77 77 ILE C C 219 181.394 178.241 3.153 1 1 775 . 4 1 1 A 77 77 ILE CA C 219 65.003 65.222 -0.219 1 1 776 . 4 1 1 A 77 77 ILE CB C 219 38.374 37.565 0.809 1 1 779 . 4 1 1 A 77 77 ILE N N 219 119.293 118.181 1.112 1 1 780 . 4 1 1 A 78 78 ARG H H 220 8.817 7.767 1.050 1 1 781 . 4 1 1 A 78 78 ARG HA H 220 4.162 4.114 0.048 1 1 786 . 4 1 1 A 78 78 ARG C C 220 178.163 177.997 0.166 1 1 787 . 4 1 1 A 78 78 ARG CA C 220 59.499 59.401 0.098 1 1 788 . 4 1 1 A 78 78 ARG CB C 220 30.018 29.938 0.080 1 1 790 . 4 1 1 A 78 78 ARG N N 220 124.633 123.202 1.431 1 1 791 . 4 1 1 A 79 79 ALA H H 221 8.207 7.955 0.252 1 1 792 . 4 1 1 A 79 79 ALA HA H 221 4.223 4.239 -0.016 1 1 796 . 4 1 1 A 79 79 ALA C C 221 178.343 178.530 -0.187 1 1 797 . 4 1 1 A 79 79 ALA CA C 221 54.107 52.756 1.351 1 1 798 . 4 1 1 A 79 79 ALA CB C 221 18.055 18.612 -0.557 1 1 799 . 4 1 1 A 79 79 ALA N N 221 120.984 120.713 0.271 1 1 800 . 4 1 1 A 80 80 GLY H H 222 7.239 8.028 -0.789 1 1 801 . 4 1 1 A 80 80 GLY HA2 H 222 4.287 3.966 0.321 1 1 802 . 4 1 1 A 80 80 GLY C C 222 174.203 174.512 -0.309 1 1 803 . 4 1 1 A 80 80 GLY CA C 222 44.921 45.249 -0.328 1 1 804 . 4 1 1 A 80 80 GLY N N 222 102.308 107.709 -5.401 1 1 805 . 4 1 1 A 81 81 GLY H H 223 7.873 8.195 -0.322 1 1 806 . 4 1 1 A 81 81 GLY HA2 H 223 4.229 3.846 0.383 1 1 807 . 4 1 1 A 81 81 GLY HA3 H 223 3.735 3.849 -0.114 1 1 808 . 4 1 1 A 81 81 GLY C C 223 174.031 175.091 -1.060 1 1 809 . 4 1 1 A 81 81 GLY CA C 223 46.465 46.781 -0.316 1 1 810 . 4 1 1 A 81 81 GLY N N 223 107.624 107.412 0.212 1 1 811 . 4 1 1 A 82 82 ASP H H 224 9.157 8.742 0.415 1 1 812 . 4 1 1 A 82 82 ASP HA H 224 4.625 4.598 0.027 1 1 815 . 4 1 1 A 82 82 ASP C C 224 173.254 175.819 -2.565 1 1 816 . 4 1 1 A 82 82 ASP CA C 224 54.408 55.078 -0.670 1 1 817 . 4 1 1 A 82 82 ASP CB C 224 40.829 41.614 -0.785 1 1 818 . 4 1 1 A 82 82 ASP N N 224 128.466 126.353 2.113 1 1 819 . 4 1 1 A 83 83 GLU H H 225 7.479 7.653 -0.174 1 1 820 . 4 1 1 A 83 83 GLU HA H 225 5.454 4.799 0.655 1 1 825 . 4 1 1 A 83 83 GLU C C 225 175.120 175.224 -0.104 1 1 826 . 4 1 1 A 83 83 GLU CA C 225 54.723 55.291 -0.568 1 1 827 . 4 1 1 A 83 83 GLU CB C 225 33.927 31.687 2.240 1 1 829 . 4 1 1 A 83 83 GLU N N 225 118.419 120.147 -1.728 1 1 830 . 4 1 1 A 84 84 THR H H 226 8.759 9.246 -0.487 1 1 831 . 4 1 1 A 84 84 THR HA H 226 4.680 4.822 -0.142 1 1 836 . 4 1 1 A 84 84 THR C C 226 170.497 173.656 -3.159 1 1 837 . 4 1 1 A 84 84 THR CA C 226 62.538 62.003 0.535 1 1 838 . 4 1 1 A 84 84 THR CB C 226 70.389 68.818 1.571 1 1 840 . 4 1 1 A 84 84 THR N N 226 116.177 122.418 -6.241 1 1 841 . 4 1 1 A 85 85 LYS H H 227 7.829 8.851 -1.022 1 1 842 . 4 1 1 A 85 85 LYS HA H 227 5.085 4.651 0.434 1 1 847 . 4 1 1 A 85 85 LYS C C 227 174.884 175.191 -0.307 1 1 848 . 4 1 1 A 85 85 LYS CA C 227 54.338 56.011 -1.673 1 1 849 . 4 1 1 A 85 85 LYS CB C 227 34.154 32.114 2.040 1 1 853 . 4 1 1 A 85 85 LYS N N 227 125.540 127.068 -1.528 1 1 854 . 4 1 1 A 86 86 LEU H H 228 8.977 9.174 -0.197 1 1 855 . 4 1 1 A 86 86 LEU HA H 228 5.049 5.116 -0.067 1 1 864 . 4 1 1 A 86 86 LEU C C 228 174.337 175.576 -1.239 1 1 865 . 4 1 1 A 86 86 LEU CA C 228 52.201 53.508 -1.307 1 1 866 . 4 1 1 A 86 86 LEU CB C 228 44.238 44.411 -0.173 1 1 867 . 4 1 1 A 86 86 LEU N N 228 125.294 126.598 -1.304 1 1 868 . 4 1 1 A 87 87 LEU H H 229 8.619 8.539 0.080 1 1 869 . 4 1 1 A 87 87 LEU HA H 229 5.244 5.251 -0.007 1 1 875 . 4 1 1 A 87 87 LEU C C 229 175.951 175.570 0.381 1 1 876 . 4 1 1 A 87 87 LEU CA C 229 53.857 53.523 0.334 1 1 877 . 4 1 1 A 87 87 LEU CB C 229 43.711 44.489 -0.778 1 1 878 . 4 1 1 A 87 87 LEU N N 229 128.223 126.898 1.325 1 1 879 . 4 1 1 A 88 88 VAL H H 230 9.291 8.775 0.516 1 1 880 . 4 1 1 A 88 88 VAL HA H 230 5.627 5.790 -0.163 1 1 888 . 4 1 1 A 88 88 VAL C C 230 174.077 174.882 -0.805 1 1 889 . 4 1 1 A 88 88 VAL CA C 230 58.217 59.916 -1.699 1 1 890 . 4 1 1 A 88 88 VAL CB C 230 36.697 35.398 1.299 1 1 893 . 4 1 1 A 88 88 VAL N N 230 120.780 121.206 -0.426 1 1 894 . 4 1 1 A 89 89 VAL H H 231 8.241 8.338 -0.097 1 1 895 . 4 1 1 A 89 89 VAL HA H 231 4.814 4.761 0.053 1 1 903 . 4 1 1 A 89 89 VAL C C 231 174.661 173.726 0.935 1 1 904 . 4 1 1 A 89 89 VAL CA C 231 58.524 59.925 -1.401 1 1 905 . 4 1 1 A 89 89 VAL CB C 231 35.588 34.979 0.609 1 1 908 . 4 1 1 A 89 89 VAL N N 231 110.935 121.049 -10.114 1 1 909 . 4 1 1 A 90 90 ASP H H 232 7.841 8.660 -0.819 1 1 910 . 4 1 1 A 90 90 ASP HA H 232 4.883 4.738 0.145 1 1 913 . 4 1 1 A 90 90 ASP C C 232 175.406 176.805 -1.399 1 1 914 . 4 1 1 A 90 90 ASP CA C 232 52.420 52.814 -0.394 1 1 915 . 4 1 1 A 90 90 ASP CB C 232 41.621 40.713 0.908 1 1 916 . 4 1 1 A 90 90 ASP N N 232 122.442 124.251 -1.809 1 1 917 . 4 1 1 A 91 91 ARG H H 233 8.780 8.901 -0.121 1 1 918 . 4 1 1 A 91 91 ARG HA H 233 4.228 4.494 -0.266 1 1 921 . 4 1 1 A 91 91 ARG C C 233 177.865 178.700 -0.835 1 1 922 . 4 1 1 A 91 91 ARG CA C 233 58.821 58.206 0.615 1 1 923 . 4 1 1 A 91 91 ARG CB C 233 29.977 30.442 -0.465 1 1 925 . 4 1 1 A 91 91 ARG N N 233 120.292 127.000 -6.708 1 1 926 . 4 1 1 A 92 92 GLU H H 234 8.663 7.682 0.981 1 1 927 . 4 1 1 A 92 92 GLU HA H 234 4.071 4.097 -0.026 1 1 932 . 4 1 1 A 92 92 GLU C C 234 178.395 179.653 -1.258 1 1 933 . 4 1 1 A 92 92 GLU CA C 234 59.115 59.561 -0.446 1 1 934 . 4 1 1 A 92 92 GLU CB C 234 29.131 29.449 -0.318 1 1 936 . 4 1 1 A 92 92 GLU N N 234 119.448 119.431 0.017 1 1 937 . 4 1 1 A 93 93 THR H H 235 8.255 7.824 0.431 1 1 938 . 4 1 1 A 93 93 THR HA H 235 3.975 4.135 -0.160 1 1 943 . 4 1 1 A 93 93 THR C C 235 175.146 175.787 -0.641 1 1 944 . 4 1 1 A 93 93 THR CA C 235 65.516 66.813 -1.297 1 1 945 . 4 1 1 A 93 93 THR CB C 235 68.363 68.275 0.088 1 1 947 . 4 1 1 A 93 93 THR N N 235 117.260 117.249 0.011 1 1 948 . 4 1 1 A 94 94 ASP H H 236 8.302 8.441 -0.139 1 1 949 . 4 1 1 A 94 94 ASP HA H 236 4.557 4.531 0.026 1 1 952 . 4 1 1 A 94 94 ASP C C 236 177.739 177.555 0.184 1 1 953 . 4 1 1 A 94 94 ASP CA C 236 55.460 56.929 -1.469 1 1 954 . 4 1 1 A 94 94 ASP CB C 236 41.093 41.191 -0.098 1 1 955 . 4 1 1 A 94 94 ASP N N 236 122.075 121.189 0.886 1 1 956 . 4 1 1 A 95 95 GLU H H 237 8.084 8.470 -0.386 1 1 957 . 4 1 1 A 95 95 GLU HA H 237 4.032 4.489 -0.457 1 1 961 . 4 1 1 A 95 95 GLU C C 237 176.899 178.859 -1.960 1 1 962 . 4 1 1 A 95 95 GLU CA C 237 57.612 57.397 0.215 1 1 963 . 4 1 1 A 95 95 GLU CB C 237 29.393 30.637 -1.244 1 1 965 . 4 1 1 A 95 95 GLU N N 237 117.733 116.811 0.922 1 1 966 . 4 1 1 A 96 96 PHE H H 238 7.927 8.713 -0.786 1 1 967 . 4 1 1 A 96 96 PHE HA H 238 4.363 4.285 0.078 1 1 974 . 4 1 1 A 96 96 PHE C C 238 175.655 177.476 -1.821 1 1 975 . 4 1 1 A 96 96 PHE CA C 238 59.139 61.542 -2.403 1 1 976 . 4 1 1 A 96 96 PHE CB C 238 39.723 39.156 0.567 1 1 977 . 4 1 1 A 96 96 PHE N N 238 119.312 122.462 -3.150 1 1 978 . 4 1 1 A 97 97 PHE H H 239 7.896 8.248 -0.352 1 1 979 . 4 1 1 A 97 97 PHE HA H 239 4.506 4.112 0.394 1 1 986 . 4 1 1 A 97 97 PHE C C 239 174.173 177.372 -3.199 1 1 987 . 4 1 1 A 97 97 PHE CA C 239 58.034 61.623 -3.589 1 1 988 . 4 1 1 A 97 97 PHE CB C 239 39.447 39.162 0.285 1 1 989 . 4 1 1 A 97 97 PHE N N 239 119.260 120.363 -1.103 1 1 1 . 5 1 1 A 2 2 ILE HA H 144 4.171 4.225 -0.054 1 1 11 . 5 1 1 A 2 2 ILE C C 144 175.446 175.337 0.109 1 1 12 . 5 1 1 A 2 2 ILE CA C 144 60.547 61.486 -0.939 1 1 13 . 5 1 1 A 2 2 ILE CB C 144 38.500 39.021 -0.521 1 1 17 . 5 1 1 A 3 3 ASP H H 145 8.584 8.533 0.051 1 1 18 . 5 1 1 A 3 3 ASP HA H 145 4.879 4.767 0.112 1 1 21 . 5 1 1 A 3 3 ASP CA C 145 51.583 52.120 -0.537 1 1 22 . 5 1 1 A 3 3 ASP CB C 145 41.044 41.850 -0.806 1 1 23 . 5 1 1 A 3 3 ASP N N 145 127.098 128.905 -1.807 1 1 24 . 5 1 1 A 4 4 PRO HA H 146 4.290 4.405 -0.115 1 1 31 . 5 1 1 A 4 4 PRO C C 146 176.840 178.333 -1.493 1 1 32 . 5 1 1 A 4 4 PRO CA C 146 63.386 65.787 -2.401 1 1 33 . 5 1 1 A 4 4 PRO CB C 146 31.799 31.672 0.127 1 1 36 . 5 1 1 A 5 5 PHE H H 147 8.323 8.043 0.280 1 1 37 . 5 1 1 A 5 5 PHE HA H 147 4.550 4.475 0.075 1 1 44 . 5 1 1 A 5 5 PHE C C 147 176.081 175.194 0.887 1 1 45 . 5 1 1 A 5 5 PHE CA C 147 58.224 60.362 -2.138 1 1 46 . 5 1 1 A 5 5 PHE CB C 147 38.571 40.993 -2.422 1 1 47 . 5 1 1 A 5 5 PHE N N 147 118.510 117.836 0.674 1 1 48 . 5 1 1 A 6 6 THR H H 148 7.769 7.837 -0.068 1 1 49 . 5 1 1 A 6 6 THR HA H 148 4.195 4.354 -0.159 1 1 54 . 5 1 1 A 6 6 THR C C 148 173.870 173.117 0.753 1 1 55 . 5 1 1 A 6 6 THR CA C 148 62.114 60.796 1.318 1 1 56 . 5 1 1 A 6 6 THR CB C 148 69.325 70.367 -1.042 1 1 58 . 5 1 1 A 6 6 THR N N 148 114.321 107.346 6.975 1 1 59 . 5 1 1 A 7 7 MET H H 149 8.101 8.538 -0.437 1 1 60 . 5 1 1 A 7 7 MET HA H 149 4.438 4.567 -0.129 1 1 65 . 5 1 1 A 7 7 MET C C 149 175.544 177.641 -2.097 1 1 66 . 5 1 1 A 7 7 MET CA C 149 55.218 56.314 -1.096 1 1 67 . 5 1 1 A 7 7 MET CB C 149 32.224 34.226 -2.002 1 1 69 . 5 1 1 A 7 7 MET N N 149 121.779 120.308 1.471 1 1 70 . 5 1 1 A 8 8 LEU H H 150 8.110 8.086 0.024 1 1 71 . 5 1 1 A 8 8 LEU HA H 150 4.467 4.129 0.338 1 1 81 . 5 1 1 A 8 8 LEU C C 150 175.439 176.333 -0.894 1 1 82 . 5 1 1 A 8 8 LEU CA C 150 54.333 56.673 -2.340 1 1 83 . 5 1 1 A 8 8 LEU CB C 150 40.631 41.920 -1.289 1 1 86 . 5 1 1 A 8 8 LEU N N 150 123.383 121.328 2.055 1 1 87 . 5 1 1 A 9 9 ARG H H 151 7.900 7.393 0.507 1 1 88 . 5 1 1 A 9 9 ARG HA H 151 4.769 4.358 0.411 1 1 93 . 5 1 1 A 9 9 ARG CA C 151 52.792 55.434 -2.642 1 1 94 . 5 1 1 A 9 9 ARG CB C 151 30.717 30.202 0.515 1 1 96 . 5 1 1 A 9 9 ARG N N 151 119.907 117.547 2.360 1 1 97 . 5 1 1 A 10 10 PRO HA H 152 4.546 4.519 0.027 1 1 104 . 5 1 1 A 10 10 PRO C C 152 175.520 176.104 -0.584 1 1 105 . 5 1 1 A 10 10 PRO CA C 152 62.580 63.121 -0.541 1 1 106 . 5 1 1 A 10 10 PRO CB C 152 31.507 32.027 -0.520 1 1 109 . 5 1 1 A 11 11 ARG H H 153 8.987 8.933 0.054 1 1 110 . 5 1 1 A 11 11 ARG HA H 153 4.462 4.825 -0.363 1 1 113 . 5 1 1 A 11 11 ARG C C 153 173.260 175.134 -1.874 1 1 114 . 5 1 1 A 11 11 ARG CA C 153 54.652 54.841 -0.189 1 1 115 . 5 1 1 A 11 11 ARG CB C 153 32.449 33.093 -0.644 1 1 116 . 5 1 1 A 11 11 ARG N N 153 122.642 121.758 0.884 1 1 117 . 5 1 1 A 12 12 LEU H H 154 8.675 8.593 0.082 1 1 118 . 5 1 1 A 12 12 LEU HA H 154 4.926 4.507 0.419 1 1 127 . 5 1 1 A 12 12 LEU C C 154 176.282 175.251 1.031 1 1 128 . 5 1 1 A 12 12 LEU CA C 154 53.222 55.421 -2.199 1 1 129 . 5 1 1 A 12 12 LEU CB C 154 42.382 42.706 -0.324 1 1 132 . 5 1 1 A 12 12 LEU N N 154 125.776 124.806 0.970 1 1 133 . 5 1 1 A 13 13 CYS H H 155 9.509 9.123 0.386 1 1 134 . 5 1 1 A 13 13 CYS HA H 155 4.762 5.268 -0.506 1 1 137 . 5 1 1 A 13 13 CYS C C 155 173.211 173.251 -0.040 1 1 138 . 5 1 1 A 13 13 CYS CA C 155 57.646 57.233 0.413 1 1 139 . 5 1 1 A 13 13 CYS CB C 155 28.495 30.958 -2.463 1 1 140 . 5 1 1 A 13 13 CYS N N 155 130.053 126.289 3.764 1 1 141 . 5 1 1 A 14 14 THR H H 156 8.979 9.336 -0.357 1 1 142 . 5 1 1 A 14 14 THR HA H 156 4.927 4.989 -0.062 1 1 147 . 5 1 1 A 14 14 THR C C 156 172.990 173.809 -0.819 1 1 148 . 5 1 1 A 14 14 THR CA C 156 61.216 61.758 -0.542 1 1 149 . 5 1 1 A 14 14 THR CB C 156 69.306 70.825 -1.519 1 1 151 . 5 1 1 A 14 14 THR N N 156 122.811 121.110 1.701 1 1 152 . 5 1 1 A 15 15 MET H H 157 8.889 8.998 -0.109 1 1 153 . 5 1 1 A 15 15 MET HA H 157 5.006 5.483 -0.477 1 1 157 . 5 1 1 A 15 15 MET C C 157 176.000 175.596 0.404 1 1 158 . 5 1 1 A 15 15 MET CA C 157 54.167 53.264 0.903 1 1 159 . 5 1 1 A 15 15 MET CB C 157 39.030 35.059 3.971 1 1 160 . 5 1 1 A 15 15 MET N N 157 121.855 124.145 -2.290 1 1 161 . 5 1 1 A 16 16 LYS H H 158 8.614 8.734 -0.120 1 1 162 . 5 1 1 A 16 16 LYS HA H 158 5.262 5.149 0.113 1 1 167 . 5 1 1 A 16 16 LYS C C 158 175.677 176.571 -0.894 1 1 168 . 5 1 1 A 16 16 LYS CA C 158 54.283 54.960 -0.677 1 1 169 . 5 1 1 A 16 16 LYS CB C 158 34.677 34.160 0.517 1 1 172 . 5 1 1 A 16 16 LYS N N 158 122.373 122.228 0.145 1 1 173 . 5 1 1 A 17 17 LYS H H 159 8.519 9.570 -1.051 1 1 174 . 5 1 1 A 17 17 LYS HA H 159 3.208 4.166 -0.958 1 1 179 . 5 1 1 A 17 17 LYS C C 159 176.799 176.372 0.427 1 1 180 . 5 1 1 A 17 17 LYS CA C 159 58.532 59.427 -0.895 1 1 181 . 5 1 1 A 17 17 LYS CB C 159 33.471 32.355 1.116 1 1 184 . 5 1 1 A 17 17 LYS N N 159 123.623 127.661 -4.038 1 1 185 . 5 1 1 A 18 18 GLY H H 160 7.222 7.786 -0.564 1 1 186 . 5 1 1 A 18 18 GLY HA2 H 160 4.578 3.950 0.628 1 1 187 . 5 1 1 A 18 18 GLY HA3 H 160 3.950 3.953 -0.003 1 1 188 . 5 1 1 A 18 18 GLY CA C 160 44.160 45.185 -1.025 1 1 189 . 5 1 1 A 18 18 GLY N N 160 111.304 107.506 3.798 1 1 190 . 5 1 1 A 19 19 PRO HA H 161 4.307 4.496 -0.189 1 1 197 . 5 1 1 A 19 19 PRO C C 161 177.523 176.993 0.530 1 1 198 . 5 1 1 A 19 19 PRO CA C 161 64.766 63.934 0.832 1 1 199 . 5 1 1 A 19 19 PRO CB C 161 31.509 32.584 -1.075 1 1 202 . 5 1 1 A 20 20 SER H H 162 8.462 7.315 1.147 1 1 203 . 5 1 1 A 20 20 SER HA H 162 4.708 4.387 0.321 1 1 206 . 5 1 1 A 20 20 SER C C 162 173.887 174.310 -0.423 1 1 207 . 5 1 1 A 20 20 SER CA C 162 56.541 58.871 -2.330 1 1 208 . 5 1 1 A 20 20 SER CB C 162 63.086 64.847 -1.761 1 1 209 . 5 1 1 A 20 20 SER N N 162 111.594 111.886 -0.292 1 1 210 . 5 1 1 A 21 21 GLY H H 163 7.730 7.641 0.089 1 1 211 . 5 1 1 A 21 21 GLY HA2 H 163 4.477 3.752 0.725 1 1 212 . 5 1 1 A 21 21 GLY HA3 H 163 3.242 3.919 -0.677 1 1 213 . 5 1 1 A 21 21 GLY CA C 163 43.895 44.268 -0.373 1 1 214 . 5 1 1 A 21 21 GLY N N 163 108.656 108.812 -0.156 1 1 215 . 5 1 1 A 22 22 TYR H H 164 7.210 8.300 -1.090 1 1 216 . 5 1 1 A 22 22 TYR HA H 164 4.366 4.552 -0.186 1 1 223 . 5 1 1 A 22 22 TYR C C 164 176.198 176.394 -0.196 1 1 224 . 5 1 1 A 22 22 TYR CA C 164 60.930 60.405 0.525 1 1 225 . 5 1 1 A 22 22 TYR CB C 164 40.660 39.284 1.376 1 1 226 . 5 1 1 A 23 23 GLY H H 165 8.600 8.713 -0.113 1 1 227 . 5 1 1 A 23 23 GLY HA2 H 165 4.511 3.999 0.512 1 1 228 . 5 1 1 A 23 23 GLY HA3 H 165 3.886 4.058 -0.172 1 1 229 . 5 1 1 A 23 23 GLY C C 165 172.930 173.754 -0.824 1 1 230 . 5 1 1 A 23 23 GLY CA C 165 45.013 45.768 -0.755 1 1 231 . 5 1 1 A 23 23 GLY N N 165 103.183 107.823 -4.640 1 1 232 . 5 1 1 A 24 24 PHE H H 166 6.855 7.591 -0.736 1 1 233 . 5 1 1 A 24 24 PHE HA H 166 5.629 5.112 0.517 1 1 241 . 5 1 1 A 24 24 PHE C C 166 172.417 172.561 -0.144 1 1 242 . 5 1 1 A 24 24 PHE CA C 166 54.693 56.313 -1.620 1 1 243 . 5 1 1 A 24 24 PHE CB C 166 42.235 41.084 1.151 1 1 244 . 5 1 1 A 24 24 PHE N N 166 111.547 114.949 -3.402 1 1 245 . 5 1 1 A 25 25 ASN H H 167 8.121 9.573 -1.452 1 1 246 . 5 1 1 A 25 25 ASN HA H 167 5.097 5.488 -0.391 1 1 251 . 5 1 1 A 25 25 ASN C C 167 174.068 174.173 -0.105 1 1 252 . 5 1 1 A 25 25 ASN CA C 167 51.521 51.960 -0.439 1 1 253 . 5 1 1 A 25 25 ASN CB C 167 41.155 42.552 -1.397 1 1 254 . 5 1 1 A 25 25 ASN N N 167 117.619 117.487 0.132 1 1 256 . 5 1 1 A 26 26 LEU H H 168 9.287 8.664 0.623 1 1 257 . 5 1 1 A 26 26 LEU HA H 168 5.369 5.479 -0.110 1 1 266 . 5 1 1 A 26 26 LEU C C 168 176.491 175.682 0.809 1 1 267 . 5 1 1 A 26 26 LEU CA C 168 54.171 53.833 0.338 1 1 268 . 5 1 1 A 26 26 LEU CB C 168 44.783 45.917 -1.134 1 1 272 . 5 1 1 A 26 26 LEU N N 168 123.933 120.270 3.663 1 1 273 . 5 1 1 A 27 27 HIS H H 169 9.466 9.429 0.037 1 1 274 . 5 1 1 A 27 27 HIS HA H 169 4.922 5.667 -0.745 1 1 276 . 5 1 1 A 27 27 HIS CA C 169 56.019 53.671 2.348 1 1 277 . 5 1 1 A 27 27 HIS CB C 169 33.352 33.513 -0.161 1 1 278 . 5 1 1 A 27 27 HIS N N 169 119.976 119.840 0.136 1 1 279 . 5 1 1 A 28 28 SER HA H 170 4.703 4.612 0.091 1 1 282 . 5 1 1 A 28 28 SER C C 170 172.451 172.642 -0.191 1 1 283 . 5 1 1 A 28 28 SER CA C 170 57.104 56.270 0.834 1 1 284 . 5 1 1 A 28 28 SER CB C 170 63.937 64.526 -0.589 1 1 285 . 5 1 1 A 29 29 ASP H H 171 9.230 8.679 0.551 1 1 286 . 5 1 1 A 29 29 ASP HA H 171 4.591 4.711 -0.120 1 1 289 . 5 1 1 A 29 29 ASP CA C 171 53.406 55.572 -2.166 1 1 290 . 5 1 1 A 29 29 ASP CB C 171 43.831 42.228 1.603 1 1 291 . 5 1 1 A 29 29 ASP N N 171 123.447 123.255 0.192 1 1 292 . 5 1 1 A 30 30 LYS HA H 172 4.148 4.432 -0.284 1 1 298 . 5 1 1 A 30 30 LYS C C 172 176.768 177.117 -0.349 1 1 299 . 5 1 1 A 30 30 LYS CA C 172 57.755 55.277 2.478 1 1 300 . 5 1 1 A 30 30 LYS CB C 172 31.872 33.454 -1.582 1 1 301 . 5 1 1 A 31 31 SER H H 173 8.803 8.628 0.175 1 1 302 . 5 1 1 A 31 31 SER HA H 173 4.419 4.552 -0.133 1 1 304 . 5 1 1 A 31 31 SER C C 173 173.570 174.732 -1.162 1 1 305 . 5 1 1 A 31 31 SER CA C 173 59.354 58.439 0.915 1 1 306 . 5 1 1 A 31 31 SER CB C 173 64.113 63.576 0.537 1 1 307 . 5 1 1 A 31 31 SER N N 173 115.001 116.201 -1.200 1 1 308 . 5 1 1 A 32 32 LYS H H 174 7.893 7.795 0.098 1 1 309 . 5 1 1 A 32 32 LYS HA H 174 4.804 4.362 0.442 1 1 316 . 5 1 1 A 32 32 LYS CA C 174 53.258 58.910 -5.652 1 1 317 . 5 1 1 A 32 32 LYS CB C 174 33.448 33.129 0.319 1 1 321 . 5 1 1 A 32 32 LYS N N 174 122.863 120.421 2.442 1 1 322 . 5 1 1 A 33 33 PRO HA H 175 4.592 4.375 0.217 1 1 329 . 5 1 1 A 33 33 PRO C C 175 176.188 177.691 -1.503 1 1 330 . 5 1 1 A 33 33 PRO CA C 175 62.823 65.415 -2.592 1 1 331 . 5 1 1 A 33 33 PRO CB C 175 32.076 31.190 0.886 1 1 334 . 5 1 1 A 34 34 GLY H H 176 8.328 7.676 0.652 1 1 335 . 5 1 1 A 34 34 GLY HA2 H 176 4.179 3.886 0.293 1 1 336 . 5 1 1 A 34 34 GLY HA3 H 176 3.713 3.892 -0.179 1 1 337 . 5 1 1 A 34 34 GLY C C 176 172.298 172.659 -0.361 1 1 338 . 5 1 1 A 34 34 GLY CA C 176 43.770 44.200 -0.430 1 1 339 . 5 1 1 A 34 34 GLY N N 176 108.419 106.116 2.303 1 1 340 . 5 1 1 A 35 35 GLN H H 177 8.673 8.395 0.278 1 1 341 . 5 1 1 A 35 35 GLN HA H 177 4.761 4.631 0.130 1 1 347 . 5 1 1 A 35 35 GLN C C 177 173.569 174.889 -1.320 1 1 348 . 5 1 1 A 35 35 GLN CA C 177 53.731 54.682 -0.951 1 1 349 . 5 1 1 A 35 35 GLN CB C 177 29.555 29.759 -0.204 1 1 351 . 5 1 1 A 35 35 GLN N N 177 117.933 122.401 -4.468 1 1 353 . 5 1 1 A 36 36 PHE H H 178 8.799 8.617 0.182 1 1 354 . 5 1 1 A 36 36 PHE HA H 178 5.447 5.072 0.375 1 1 361 . 5 1 1 A 36 36 PHE C C 178 175.427 176.084 -0.657 1 1 362 . 5 1 1 A 36 36 PHE CA C 178 55.349 56.808 -1.459 1 1 363 . 5 1 1 A 36 36 PHE CB C 178 42.486 42.243 0.243 1 1 364 . 5 1 1 A 36 36 PHE N N 178 120.404 125.957 -5.553 1 1 365 . 5 1 1 A 37 37 ILE H H 179 9.203 8.672 0.531 1 1 366 . 5 1 1 A 37 37 ILE HA H 179 4.322 4.574 -0.252 1 1 376 . 5 1 1 A 37 37 ILE C C 179 176.207 177.008 -0.801 1 1 377 . 5 1 1 A 37 37 ILE CA C 179 58.611 61.924 -3.313 1 1 378 . 5 1 1 A 37 37 ILE CB C 179 34.911 38.228 -3.317 1 1 380 . 5 1 1 A 37 37 ILE N N 179 120.720 124.411 -3.691 1 1 381 . 5 1 1 A 38 38 ARG H H 180 9.453 8.993 0.460 1 1 382 . 5 1 1 A 38 38 ARG HA H 180 3.951 4.147 -0.196 1 1 389 . 5 1 1 A 38 38 ARG C C 180 175.332 176.124 -0.792 1 1 390 . 5 1 1 A 38 38 ARG CA C 180 58.035 56.256 1.779 1 1 391 . 5 1 1 A 38 38 ARG CB C 180 30.593 31.473 -0.880 1 1 393 . 5 1 1 A 38 38 ARG N N 180 132.453 123.921 8.532 1 1 394 . 5 1 1 A 39 39 SER H H 181 7.529 7.756 -0.227 1 1 395 . 5 1 1 A 39 39 SER HA H 181 4.553 4.755 -0.202 1 1 397 . 5 1 1 A 39 39 SER C C 181 170.792 172.222 -1.430 1 1 398 . 5 1 1 A 39 39 SER CA C 181 56.629 57.439 -0.810 1 1 399 . 5 1 1 A 39 39 SER CB C 181 64.756 65.629 -0.873 1 1 400 . 5 1 1 A 39 39 SER N N 181 109.145 113.213 -4.068 1 1 401 . 5 1 1 A 40 40 VAL H H 182 8.595 8.653 -0.058 1 1 402 . 5 1 1 A 40 40 VAL HA H 182 4.609 4.856 -0.247 1 1 410 . 5 1 1 A 40 40 VAL C C 182 175.150 173.879 1.271 1 1 411 . 5 1 1 A 40 40 VAL CA C 182 60.603 60.633 -0.030 1 1 412 . 5 1 1 A 40 40 VAL CB C 182 34.480 35.600 -1.120 1 1 415 . 5 1 1 A 40 40 VAL N N 182 119.939 123.226 -3.287 1 1 416 . 5 1 1 A 41 41 ASP H H 183 9.410 9.819 -0.409 1 1 417 . 5 1 1 A 41 41 ASP HA H 183 4.770 5.087 -0.317 1 1 420 . 5 1 1 A 41 41 ASP CA C 183 52.418 50.825 1.593 1 1 421 . 5 1 1 A 41 41 ASP CB C 183 39.357 42.342 -2.985 1 1 422 . 5 1 1 A 41 41 ASP N N 183 129.870 127.595 2.275 1 1 423 . 5 1 1 A 42 42 PRO HA H 184 4.551 4.345 0.206 1 1 429 . 5 1 1 A 42 42 PRO C C 184 176.520 177.144 -0.624 1 1 430 . 5 1 1 A 42 42 PRO CA C 184 62.915 63.789 -0.874 1 1 431 . 5 1 1 A 42 42 PRO CB C 184 31.844 31.743 0.101 1 1 434 . 5 1 1 A 43 43 ASP H H 185 9.250 8.926 0.324 1 1 435 . 5 1 1 A 43 43 ASP HA H 185 4.356 4.336 0.020 1 1 438 . 5 1 1 A 43 43 ASP C C 185 173.959 174.789 -0.830 1 1 439 . 5 1 1 A 43 43 ASP CA C 185 55.638 55.586 0.052 1 1 440 . 5 1 1 A 43 43 ASP CB C 185 39.100 40.420 -1.320 1 1 441 . 5 1 1 A 43 43 ASP N N 185 118.710 122.457 -3.747 1 1 442 . 5 1 1 A 44 44 SER H H 186 7.336 7.692 -0.356 1 1 443 . 5 1 1 A 44 44 SER HA H 186 4.953 4.756 0.197 1 1 445 . 5 1 1 A 44 44 SER CA C 186 56.329 57.002 -0.673 1 1 446 . 5 1 1 A 44 44 SER CB C 186 65.440 63.814 1.626 1 1 447 . 5 1 1 A 44 44 SER N N 186 111.769 114.995 -3.226 1 1 448 . 5 1 1 A 45 45 PRO HA H 187 4.522 4.238 0.284 1 1 455 . 5 1 1 A 45 45 PRO C C 187 179.929 178.132 1.797 1 1 456 . 5 1 1 A 45 45 PRO CA C 187 65.133 65.762 -0.629 1 1 457 . 5 1 1 A 45 45 PRO CB C 187 32.682 31.797 0.885 1 1 459 . 5 1 1 A 46 46 ALA H H 188 8.492 8.072 0.420 1 1 460 . 5 1 1 A 46 46 ALA HA H 188 4.378 4.025 0.353 1 1 464 . 5 1 1 A 46 46 ALA C C 188 175.528 179.742 -4.214 1 1 465 . 5 1 1 A 46 46 ALA CA C 188 54.584 55.444 -0.860 1 1 466 . 5 1 1 A 46 46 ALA CB C 188 19.714 18.379 1.335 1 1 467 . 5 1 1 A 46 46 ALA N N 188 118.684 118.915 -0.231 1 1 468 . 5 1 1 A 47 47 GLU H H 189 8.266 8.029 0.237 1 1 469 . 5 1 1 A 47 47 GLU HA H 189 3.881 3.999 -0.118 1 1 472 . 5 1 1 A 47 47 GLU C C 189 173.891 178.684 -4.793 1 1 473 . 5 1 1 A 47 47 GLU CA C 189 59.881 59.440 0.441 1 1 474 . 5 1 1 A 47 47 GLU CB C 189 29.830 29.457 0.373 1 1 475 . 5 1 1 A 47 47 GLU N N 189 122.834 117.968 4.866 1 1 476 . 5 1 1 A 48 48 ALA H H 190 8.378 8.286 0.092 1 1 477 . 5 1 1 A 48 48 ALA HA H 190 4.228 4.136 0.092 1 1 481 . 5 1 1 A 48 48 ALA C C 190 178.612 180.153 -1.541 1 1 482 . 5 1 1 A 48 48 ALA CA C 190 54.522 54.446 0.076 1 1 483 . 5 1 1 A 48 48 ALA CB C 190 17.980 18.436 -0.456 1 1 484 . 5 1 1 A 48 48 ALA N N 190 122.847 122.049 0.798 1 1 485 . 5 1 1 A 49 49 SER H H 191 7.949 7.634 0.315 1 1 486 . 5 1 1 A 49 49 SER HA H 191 4.544 4.497 0.047 1 1 489 . 5 1 1 A 49 49 SER C C 191 174.409 174.584 -0.175 1 1 490 . 5 1 1 A 49 49 SER CA C 191 59.717 58.560 1.157 1 1 491 . 5 1 1 A 49 49 SER CB C 191 64.762 63.636 1.126 1 1 492 . 5 1 1 A 49 49 SER N N 191 112.314 110.736 1.578 1 1 493 . 5 1 1 A 50 50 GLY H H 192 7.604 8.135 -0.531 1 1 494 . 5 1 1 A 50 50 GLY HA2 H 192 4.427 4.000 0.427 1 1 495 . 5 1 1 A 50 50 GLY HA3 H 192 3.714 4.001 -0.287 1 1 496 . 5 1 1 A 50 50 GLY C C 192 173.516 174.337 -0.821 1 1 497 . 5 1 1 A 50 50 GLY CA C 192 44.654 45.207 -0.553 1 1 498 . 5 1 1 A 50 50 GLY N N 192 107.849 109.265 -1.416 1 1 499 . 5 1 1 A 51 51 LEU H H 193 7.268 8.082 -0.814 1 1 500 . 5 1 1 A 51 51 LEU HA H 193 3.969 4.480 -0.511 1 1 510 . 5 1 1 A 51 51 LEU C C 193 174.799 175.576 -0.777 1 1 511 . 5 1 1 A 51 51 LEU CA C 193 55.198 54.697 0.501 1 1 512 . 5 1 1 A 51 51 LEU CB C 193 43.724 43.139 0.585 1 1 515 . 5 1 1 A 51 51 LEU N N 193 124.317 123.046 1.271 1 1 516 . 5 1 1 A 52 52 ARG H H 194 8.891 8.444 0.447 1 1 517 . 5 1 1 A 52 52 ARG HA H 194 4.613 4.973 -0.360 1 1 521 . 5 1 1 A 52 52 ARG C C 194 174.936 175.529 -0.593 1 1 522 . 5 1 1 A 52 52 ARG CA C 194 54.127 53.825 0.302 1 1 523 . 5 1 1 A 52 52 ARG CB C 194 34.156 33.695 0.461 1 1 524 . 5 1 1 A 52 52 ARG N N 194 124.468 125.269 -0.801 1 1 525 . 5 1 1 A 53 53 ALA H H 195 8.677 8.536 0.141 1 1 526 . 5 1 1 A 53 53 ALA HA H 195 3.682 4.001 -0.319 1 1 530 . 5 1 1 A 53 53 ALA C C 195 178.524 178.172 0.352 1 1 531 . 5 1 1 A 53 53 ALA CA C 195 53.523 53.142 0.381 1 1 532 . 5 1 1 A 53 53 ALA CB C 195 17.963 19.005 -1.042 1 1 533 . 5 1 1 A 53 53 ALA N N 195 122.213 127.268 -5.055 1 1 534 . 5 1 1 A 54 54 GLN H H 196 9.490 8.886 0.604 1 1 535 . 5 1 1 A 54 54 GLN HA H 196 4.032 4.368 -0.336 1 1 541 . 5 1 1 A 54 54 GLN C C 196 174.503 174.579 -0.076 1 1 542 . 5 1 1 A 54 54 GLN CA C 196 58.036 57.751 0.285 1 1 543 . 5 1 1 A 54 54 GLN CB C 196 26.208 27.053 -0.845 1 1 544 . 5 1 1 A 54 54 GLN N N 196 115.882 116.131 -0.249 1 1 546 . 5 1 1 A 55 55 ASP H H 197 7.798 7.863 -0.065 1 1 547 . 5 1 1 A 55 55 ASP HA H 197 4.757 4.835 -0.078 1 1 550 . 5 1 1 A 55 55 ASP C C 197 174.629 175.599 -0.970 1 1 551 . 5 1 1 A 55 55 ASP CA C 197 55.315 54.117 1.198 1 1 552 . 5 1 1 A 55 55 ASP CB C 197 41.416 41.513 -0.097 1 1 553 . 5 1 1 A 55 55 ASP N N 197 121.039 119.640 1.399 1 1 554 . 5 1 1 A 56 56 ARG H H 198 8.938 8.646 0.292 1 1 555 . 5 1 1 A 56 56 ARG HA H 198 4.430 4.413 0.017 1 1 557 . 5 1 1 A 56 56 ARG C C 198 174.400 175.344 -0.944 1 1 558 . 5 1 1 A 56 56 ARG CA C 198 54.273 55.416 -1.143 1 1 559 . 5 1 1 A 56 56 ARG CB C 198 32.499 30.654 1.845 1 1 560 . 5 1 1 A 56 56 ARG N N 198 122.032 122.059 -0.027 1 1 561 . 5 1 1 A 57 57 ILE H H 199 8.179 9.032 -0.853 1 1 562 . 5 1 1 A 57 57 ILE HA H 199 3.746 4.161 -0.415 1 1 572 . 5 1 1 A 57 57 ILE C C 199 174.272 175.767 -1.495 1 1 573 . 5 1 1 A 57 57 ILE CA C 199 62.349 62.132 0.217 1 1 574 . 5 1 1 A 57 57 ILE CB C 199 38.071 37.471 0.600 1 1 578 . 5 1 1 A 57 57 ILE N N 199 124.246 126.343 -2.097 1 1 579 . 5 1 1 A 58 58 VAL H H 200 9.389 9.823 -0.434 1 1 580 . 5 1 1 A 58 58 VAL HA H 200 4.107 4.106 0.001 1 1 588 . 5 1 1 A 58 58 VAL C C 200 176.755 176.328 0.427 1 1 589 . 5 1 1 A 58 58 VAL CA C 200 63.067 63.874 -0.807 1 1 590 . 5 1 1 A 58 58 VAL CB C 200 32.894 32.604 0.290 1 1 592 . 5 1 1 A 58 58 VAL N N 200 127.780 128.674 -0.894 1 1 593 . 5 1 1 A 59 59 GLU H H 201 7.850 7.456 0.394 1 1 594 . 5 1 1 A 59 59 GLU HA H 201 5.126 5.076 0.050 1 1 598 . 5 1 1 A 59 59 GLU C C 201 175.123 173.875 1.248 1 1 599 . 5 1 1 A 59 59 GLU CA C 201 54.610 54.799 -0.189 1 1 600 . 5 1 1 A 59 59 GLU CB C 201 34.407 32.830 1.577 1 1 602 . 5 1 1 A 59 59 GLU N N 201 116.847 115.752 1.095 1 1 603 . 5 1 1 A 60 60 VAL H H 202 8.110 8.446 -0.336 1 1 604 . 5 1 1 A 60 60 VAL HA H 202 4.433 4.447 -0.014 1 1 612 . 5 1 1 A 60 60 VAL C C 202 175.772 176.209 -0.437 1 1 613 . 5 1 1 A 60 60 VAL CA C 202 60.952 61.533 -0.581 1 1 614 . 5 1 1 A 60 60 VAL CB C 202 33.802 34.218 -0.416 1 1 616 . 5 1 1 A 60 60 VAL N N 202 118.751 119.458 -0.707 1 1 617 . 5 1 1 A 61 61 ASN H H 203 9.900 10.012 -0.112 1 1 618 . 5 1 1 A 61 61 ASN HA H 203 4.312 4.418 -0.106 1 1 621 . 5 1 1 A 61 61 ASN C C 203 174.718 174.470 0.248 1 1 622 . 5 1 1 A 61 61 ASN CA C 203 54.260 54.142 0.118 1 1 623 . 5 1 1 A 61 61 ASN CB C 203 36.965 37.495 -0.530 1 1 624 . 5 1 1 A 61 61 ASN N N 203 128.765 125.707 3.058 1 1 625 . 5 1 1 A 62 62 GLY H H 204 9.192 8.298 0.894 1 1 626 . 5 1 1 A 62 62 GLY HA2 H 204 3.979 3.942 0.037 1 1 627 . 5 1 1 A 62 62 GLY HA3 H 204 3.734 3.942 -0.208 1 1 628 . 5 1 1 A 62 62 GLY C C 204 173.240 174.522 -1.282 1 1 629 . 5 1 1 A 62 62 GLY CA C 204 44.996 45.114 -0.118 1 1 630 . 5 1 1 A 62 62 GLY N N 204 103.295 104.618 -1.323 1 1 631 . 5 1 1 A 63 63 VAL H H 205 7.792 7.412 0.380 1 1 632 . 5 1 1 A 63 63 VAL HA H 205 4.085 4.218 -0.133 1 1 637 . 5 1 1 A 63 63 VAL C C 205 174.605 174.639 -0.034 1 1 638 . 5 1 1 A 63 63 VAL CA C 205 61.373 61.356 0.017 1 1 639 . 5 1 1 A 63 63 VAL CB C 205 32.623 31.571 1.052 1 1 642 . 5 1 1 A 63 63 VAL N N 205 122.193 119.336 2.857 1 1 643 . 5 1 1 A 64 64 CYS H H 206 8.878 8.969 -0.091 1 1 644 . 5 1 1 A 64 64 CYS HA H 206 4.265 4.740 -0.475 1 1 647 . 5 1 1 A 64 64 CYS C C 206 176.086 173.960 2.126 1 1 648 . 5 1 1 A 64 64 CYS CA C 206 61.148 58.252 2.896 1 1 649 . 5 1 1 A 64 64 CYS CB C 206 27.938 27.980 -0.042 1 1 650 . 5 1 1 A 64 64 CYS N N 206 128.575 127.945 0.630 1 1 651 . 5 1 1 A 65 65 MET H H 207 8.413 8.728 -0.315 1 1 652 . 5 1 1 A 65 65 MET HA H 207 4.877 5.169 -0.292 1 1 654 . 5 1 1 A 65 65 MET CA C 207 52.697 54.437 -1.740 1 1 655 . 5 1 1 A 65 65 MET CB C 207 33.908 34.872 -0.964 1 1 656 . 5 1 1 A 65 65 MET N N 207 125.926 127.225 -1.299 1 1 657 . 5 1 1 A 66 66 GLU H H 208 8.768 8.761 0.007 1 1 658 . 5 1 1 A 66 66 GLU HA H 208 4.187 4.108 0.079 1 1 662 . 5 1 1 A 66 66 GLU C C 208 177.644 176.992 0.652 1 1 663 . 5 1 1 A 66 66 GLU CA C 208 58.586 58.038 0.548 1 1 664 . 5 1 1 A 66 66 GLU CB C 208 28.916 29.604 -0.688 1 1 665 . 5 1 1 A 67 67 GLY H H 209 9.144 8.933 0.211 1 1 666 . 5 1 1 A 67 67 GLY HA2 H 209 4.156 4.027 0.129 1 1 667 . 5 1 1 A 67 67 GLY HA3 H 209 3.746 4.047 -0.301 1 1 668 . 5 1 1 A 67 67 GLY C C 209 173.880 174.818 -0.938 1 1 669 . 5 1 1 A 67 67 GLY CA C 209 45.339 45.144 0.195 1 1 670 . 5 1 1 A 67 67 GLY N N 209 114.503 114.733 -0.230 1 1 671 . 5 1 1 A 68 68 LYS H H 210 7.585 7.243 0.342 1 1 672 . 5 1 1 A 68 68 LYS HA H 210 4.550 4.252 0.298 1 1 675 . 5 1 1 A 68 68 LYS C C 210 176.239 175.857 0.382 1 1 676 . 5 1 1 A 68 68 LYS CA C 210 54.802 56.591 -1.789 1 1 677 . 5 1 1 A 68 68 LYS CB C 210 32.493 33.739 -1.246 1 1 679 . 5 1 1 A 68 68 LYS N N 210 119.299 120.348 -1.049 1 1 680 . 5 1 1 A 69 69 GLN H H 211 9.176 8.902 0.274 1 1 681 . 5 1 1 A 69 69 GLN HA H 211 4.534 4.475 0.059 1 1 688 . 5 1 1 A 69 69 GLN C C 211 176.499 177.429 -0.930 1 1 689 . 5 1 1 A 69 69 GLN CA C 211 54.286 54.752 -0.466 1 1 690 . 5 1 1 A 69 69 GLN CB C 211 30.414 29.694 0.720 1 1 692 . 5 1 1 A 69 69 GLN N N 211 119.518 120.916 -1.398 1 1 694 . 5 1 1 A 70 70 HIS H H 212 9.097 9.084 0.013 1 1 695 . 5 1 1 A 70 70 HIS HA H 212 3.866 4.074 -0.208 1 1 698 . 5 1 1 A 70 70 HIS C C 212 176.987 177.119 -0.132 1 1 699 . 5 1 1 A 70 70 HIS CA C 212 61.326 59.575 1.751 1 1 700 . 5 1 1 A 70 70 HIS CB C 212 30.480 30.354 0.126 1 1 701 . 5 1 1 A 70 70 HIS N N 212 122.474 123.038 -0.564 1 1 702 . 5 1 1 A 71 71 GLY H H 213 9.138 8.540 0.598 1 1 703 . 5 1 1 A 71 71 GLY HA2 H 213 3.930 3.575 0.355 1 1 704 . 5 1 1 A 71 71 GLY HA3 H 213 3.693 3.593 0.100 1 1 705 . 5 1 1 A 71 71 GLY C C 213 176.374 175.841 0.533 1 1 706 . 5 1 1 A 71 71 GLY CA C 213 46.837 47.031 -0.194 1 1 707 . 5 1 1 A 71 71 GLY N N 213 103.821 106.578 -2.757 1 1 708 . 5 1 1 A 72 72 ASP H H 214 7.344 7.932 -0.588 1 1 709 . 5 1 1 A 72 72 ASP HA H 214 4.499 4.391 0.108 1 1 712 . 5 1 1 A 72 72 ASP C C 214 178.391 178.670 -0.279 1 1 713 . 5 1 1 A 72 72 ASP CA C 214 56.650 56.946 -0.296 1 1 714 . 5 1 1 A 72 72 ASP CB C 214 41.284 40.876 0.408 1 1 715 . 5 1 1 A 72 72 ASP N N 214 120.357 123.469 -3.112 1 1 716 . 5 1 1 A 73 73 VAL H H 215 7.697 8.478 -0.781 1 1 717 . 5 1 1 A 73 73 VAL HA H 215 3.804 3.597 0.207 1 1 725 . 5 1 1 A 73 73 VAL C C 215 177.258 178.853 -1.595 1 1 726 . 5 1 1 A 73 73 VAL CA C 215 65.957 66.493 -0.536 1 1 727 . 5 1 1 A 73 73 VAL CB C 215 31.411 31.585 -0.174 1 1 730 . 5 1 1 A 73 73 VAL N N 215 123.318 120.258 3.060 1 1 731 . 5 1 1 A 74 74 VAL H H 216 8.144 8.432 -0.288 1 1 732 . 5 1 1 A 74 74 VAL HA H 216 3.474 3.500 -0.026 1 1 740 . 5 1 1 A 74 74 VAL C C 216 178.839 177.924 0.915 1 1 741 . 5 1 1 A 74 74 VAL CA C 216 66.866 66.514 0.352 1 1 742 . 5 1 1 A 74 74 VAL CB C 216 31.496 31.428 0.068 1 1 745 . 5 1 1 A 74 74 VAL N N 216 118.785 121.307 -2.522 1 1 746 . 5 1 1 A 75 75 SER H H 217 8.153 8.792 -0.639 1 1 747 . 5 1 1 A 75 75 SER HA H 217 4.131 4.071 0.060 1 1 750 . 5 1 1 A 75 75 SER C C 217 176.246 176.347 -0.101 1 1 751 . 5 1 1 A 75 75 SER CA C 217 62.198 62.118 0.080 1 1 752 . 5 1 1 A 75 75 SER CB C 217 65.986 62.911 3.075 1 1 753 . 5 1 1 A 75 75 SER N N 217 115.428 115.380 0.048 1 1 754 . 5 1 1 A 76 76 ALA H H 218 7.873 8.158 -0.285 1 1 755 . 5 1 1 A 76 76 ALA HA H 218 4.220 4.150 0.070 1 1 759 . 5 1 1 A 76 76 ALA C C 218 180.251 179.942 0.309 1 1 760 . 5 1 1 A 76 76 ALA CA C 218 54.649 55.220 -0.571 1 1 761 . 5 1 1 A 76 76 ALA CB C 218 17.519 18.170 -0.651 1 1 762 . 5 1 1 A 76 76 ALA N N 218 125.449 123.033 2.416 1 1 763 . 5 1 1 A 77 77 ILE H H 219 8.357 8.018 0.339 1 1 764 . 5 1 1 A 77 77 ILE HA H 219 3.511 3.641 -0.130 1 1 774 . 5 1 1 A 77 77 ILE C C 219 181.394 178.006 3.388 1 1 775 . 5 1 1 A 77 77 ILE CA C 219 65.003 65.236 -0.233 1 1 776 . 5 1 1 A 77 77 ILE CB C 219 38.374 37.557 0.817 1 1 779 . 5 1 1 A 77 77 ILE N N 219 119.293 117.855 1.438 1 1 780 . 5 1 1 A 78 78 ARG H H 220 8.817 7.961 0.856 1 1 781 . 5 1 1 A 78 78 ARG HA H 220 4.162 3.995 0.167 1 1 786 . 5 1 1 A 78 78 ARG C C 220 178.163 178.136 0.027 1 1 787 . 5 1 1 A 78 78 ARG CA C 220 59.499 59.807 -0.308 1 1 788 . 5 1 1 A 78 78 ARG CB C 220 30.018 30.145 -0.127 1 1 790 . 5 1 1 A 78 78 ARG N N 220 124.633 122.717 1.916 1 1 791 . 5 1 1 A 79 79 ALA H H 221 8.207 8.042 0.165 1 1 792 . 5 1 1 A 79 79 ALA HA H 221 4.223 4.235 -0.012 1 1 796 . 5 1 1 A 79 79 ALA C C 221 178.343 178.209 0.134 1 1 797 . 5 1 1 A 79 79 ALA CA C 221 54.107 52.780 1.327 1 1 798 . 5 1 1 A 79 79 ALA CB C 221 18.055 18.713 -0.658 1 1 799 . 5 1 1 A 79 79 ALA N N 221 120.984 120.441 0.543 1 1 800 . 5 1 1 A 80 80 GLY H H 222 7.239 7.708 -0.469 1 1 801 . 5 1 1 A 80 80 GLY HA2 H 222 4.287 3.999 0.288 1 1 802 . 5 1 1 A 80 80 GLY C C 222 174.203 174.543 -0.340 1 1 803 . 5 1 1 A 80 80 GLY CA C 222 44.921 45.289 -0.368 1 1 804 . 5 1 1 A 80 80 GLY N N 222 102.308 107.464 -5.156 1 1 805 . 5 1 1 A 81 81 GLY H H 223 7.873 8.201 -0.328 1 1 806 . 5 1 1 A 81 81 GLY HA2 H 223 4.229 3.848 0.381 1 1 807 . 5 1 1 A 81 81 GLY HA3 H 223 3.735 3.849 -0.114 1 1 808 . 5 1 1 A 81 81 GLY C C 223 174.031 175.003 -0.972 1 1 809 . 5 1 1 A 81 81 GLY CA C 223 46.465 46.672 -0.207 1 1 810 . 5 1 1 A 81 81 GLY N N 223 107.624 106.949 0.675 1 1 811 . 5 1 1 A 82 82 ASP H H 224 9.157 8.735 0.422 1 1 812 . 5 1 1 A 82 82 ASP HA H 224 4.625 4.642 -0.017 1 1 815 . 5 1 1 A 82 82 ASP C C 224 173.254 175.767 -2.513 1 1 816 . 5 1 1 A 82 82 ASP CA C 224 54.408 54.555 -0.147 1 1 817 . 5 1 1 A 82 82 ASP CB C 224 40.829 41.659 -0.830 1 1 818 . 5 1 1 A 82 82 ASP N N 224 128.466 126.251 2.215 1 1 819 . 5 1 1 A 83 83 GLU H H 225 7.479 7.659 -0.180 1 1 820 . 5 1 1 A 83 83 GLU HA H 225 5.454 4.841 0.613 1 1 825 . 5 1 1 A 83 83 GLU C C 225 175.120 175.248 -0.128 1 1 826 . 5 1 1 A 83 83 GLU CA C 225 54.723 55.557 -0.834 1 1 827 . 5 1 1 A 83 83 GLU CB C 225 33.927 31.549 2.378 1 1 829 . 5 1 1 A 83 83 GLU N N 225 118.419 120.009 -1.590 1 1 830 . 5 1 1 A 84 84 THR H H 226 8.759 9.231 -0.472 1 1 831 . 5 1 1 A 84 84 THR HA H 226 4.680 4.854 -0.174 1 1 836 . 5 1 1 A 84 84 THR C C 226 170.497 173.528 -3.031 1 1 837 . 5 1 1 A 84 84 THR CA C 226 62.538 61.974 0.564 1 1 838 . 5 1 1 A 84 84 THR CB C 226 70.389 70.670 -0.281 1 1 840 . 5 1 1 A 84 84 THR N N 226 116.177 122.074 -5.897 1 1 841 . 5 1 1 A 85 85 LYS H H 227 7.829 8.980 -1.151 1 1 842 . 5 1 1 A 85 85 LYS HA H 227 5.085 4.661 0.424 1 1 847 . 5 1 1 A 85 85 LYS C C 227 174.884 175.159 -0.275 1 1 848 . 5 1 1 A 85 85 LYS CA C 227 54.338 55.923 -1.585 1 1 849 . 5 1 1 A 85 85 LYS CB C 227 34.154 32.566 1.588 1 1 853 . 5 1 1 A 85 85 LYS N N 227 125.540 127.469 -1.929 1 1 854 . 5 1 1 A 86 86 LEU H H 228 8.977 8.990 -0.013 1 1 855 . 5 1 1 A 86 86 LEU HA H 228 5.049 5.090 -0.041 1 1 864 . 5 1 1 A 86 86 LEU C C 228 174.337 175.515 -1.178 1 1 865 . 5 1 1 A 86 86 LEU CA C 228 52.201 53.372 -1.171 1 1 866 . 5 1 1 A 86 86 LEU CB C 228 44.238 44.853 -0.615 1 1 867 . 5 1 1 A 86 86 LEU N N 228 125.294 126.311 -1.017 1 1 868 . 5 1 1 A 87 87 LEU H H 229 8.619 8.565 0.054 1 1 869 . 5 1 1 A 87 87 LEU HA H 229 5.244 5.230 0.014 1 1 875 . 5 1 1 A 87 87 LEU C C 229 175.951 175.651 0.300 1 1 876 . 5 1 1 A 87 87 LEU CA C 229 53.857 53.574 0.283 1 1 877 . 5 1 1 A 87 87 LEU CB C 229 43.711 44.555 -0.844 1 1 878 . 5 1 1 A 87 87 LEU N N 229 128.223 126.937 1.286 1 1 879 . 5 1 1 A 88 88 VAL H H 230 9.291 8.731 0.560 1 1 880 . 5 1 1 A 88 88 VAL HA H 230 5.627 5.457 0.170 1 1 888 . 5 1 1 A 88 88 VAL C C 230 174.077 174.666 -0.589 1 1 889 . 5 1 1 A 88 88 VAL CA C 230 58.217 59.978 -1.761 1 1 890 . 5 1 1 A 88 88 VAL CB C 230 36.697 35.419 1.278 1 1 893 . 5 1 1 A 88 88 VAL N N 230 120.780 121.604 -0.824 1 1 894 . 5 1 1 A 89 89 VAL H H 231 8.241 8.225 0.016 1 1 895 . 5 1 1 A 89 89 VAL HA H 231 4.814 4.675 0.139 1 1 903 . 5 1 1 A 89 89 VAL C C 231 174.661 174.485 0.176 1 1 904 . 5 1 1 A 89 89 VAL CA C 231 58.524 59.862 -1.338 1 1 905 . 5 1 1 A 89 89 VAL CB C 231 35.588 35.515 0.073 1 1 908 . 5 1 1 A 89 89 VAL N N 231 110.935 120.760 -9.825 1 1 909 . 5 1 1 A 90 90 ASP H H 232 7.841 8.596 -0.755 1 1 910 . 5 1 1 A 90 90 ASP HA H 232 4.883 4.603 0.280 1 1 913 . 5 1 1 A 90 90 ASP C C 232 175.406 176.899 -1.493 1 1 914 . 5 1 1 A 90 90 ASP CA C 232 52.420 54.028 -1.608 1 1 915 . 5 1 1 A 90 90 ASP CB C 232 41.621 40.911 0.710 1 1 916 . 5 1 1 A 90 90 ASP N N 232 122.442 125.802 -3.360 1 1 917 . 5 1 1 A 91 91 ARG H H 233 8.780 8.875 -0.095 1 1 918 . 5 1 1 A 91 91 ARG HA H 233 4.228 4.374 -0.146 1 1 921 . 5 1 1 A 91 91 ARG C C 233 177.865 178.608 -0.743 1 1 922 . 5 1 1 A 91 91 ARG CA C 233 58.821 57.962 0.859 1 1 923 . 5 1 1 A 91 91 ARG CB C 233 29.977 30.207 -0.230 1 1 925 . 5 1 1 A 91 91 ARG N N 233 120.292 127.099 -6.807 1 1 926 . 5 1 1 A 92 92 GLU H H 234 8.663 7.687 0.976 1 1 927 . 5 1 1 A 92 92 GLU HA H 234 4.071 4.044 0.027 1 1 932 . 5 1 1 A 92 92 GLU C C 234 178.395 178.777 -0.382 1 1 933 . 5 1 1 A 92 92 GLU CA C 234 59.115 59.360 -0.245 1 1 934 . 5 1 1 A 92 92 GLU CB C 234 29.131 29.341 -0.210 1 1 936 . 5 1 1 A 92 92 GLU N N 234 119.448 119.210 0.238 1 1 937 . 5 1 1 A 93 93 THR H H 235 8.255 7.770 0.485 1 1 938 . 5 1 1 A 93 93 THR HA H 235 3.975 4.278 -0.303 1 1 943 . 5 1 1 A 93 93 THR C C 235 175.146 176.130 -0.984 1 1 944 . 5 1 1 A 93 93 THR CA C 235 65.516 64.767 0.749 1 1 945 . 5 1 1 A 93 93 THR CB C 235 68.363 69.034 -0.671 1 1 947 . 5 1 1 A 93 93 THR N N 235 117.260 117.165 0.095 1 1 948 . 5 1 1 A 94 94 ASP H H 236 8.302 8.198 0.104 1 1 949 . 5 1 1 A 94 94 ASP HA H 236 4.557 4.283 0.274 1 1 952 . 5 1 1 A 94 94 ASP C C 236 177.739 177.713 0.026 1 1 953 . 5 1 1 A 94 94 ASP CA C 236 55.460 57.768 -2.308 1 1 954 . 5 1 1 A 94 94 ASP CB C 236 41.093 41.614 -0.521 1 1 955 . 5 1 1 A 94 94 ASP N N 236 122.075 121.770 0.305 1 1 956 . 5 1 1 A 95 95 GLU H H 237 8.084 8.025 0.059 1 1 957 . 5 1 1 A 95 95 GLU HA H 237 4.032 4.458 -0.426 1 1 961 . 5 1 1 A 95 95 GLU C C 237 176.899 178.458 -1.559 1 1 962 . 5 1 1 A 95 95 GLU CA C 237 57.612 58.175 -0.563 1 1 963 . 5 1 1 A 95 95 GLU CB C 237 29.393 31.039 -1.646 1 1 965 . 5 1 1 A 95 95 GLU N N 237 117.733 117.151 0.582 1 1 966 . 5 1 1 A 96 96 PHE H H 238 7.927 8.230 -0.303 1 1 967 . 5 1 1 A 96 96 PHE HA H 238 4.363 4.164 0.199 1 1 974 . 5 1 1 A 96 96 PHE C C 238 175.655 177.435 -1.780 1 1 975 . 5 1 1 A 96 96 PHE CA C 238 59.139 61.893 -2.754 1 1 976 . 5 1 1 A 96 96 PHE CB C 238 39.723 39.324 0.399 1 1 977 . 5 1 1 A 96 96 PHE N N 238 119.312 121.709 -2.397 1 1 978 . 5 1 1 A 97 97 PHE H H 239 7.896 8.528 -0.632 1 1 979 . 5 1 1 A 97 97 PHE HA H 239 4.506 4.296 0.210 1 1 986 . 5 1 1 A 97 97 PHE C C 239 174.173 177.445 -3.272 1 1 987 . 5 1 1 A 97 97 PHE CA C 239 58.034 60.728 -2.694 1 1 988 . 5 1 1 A 97 97 PHE CB C 239 39.447 39.463 -0.016 1 1 989 . 5 1 1 A 97 97 PHE N N 239 119.260 120.240 -0.980 1 1 1 . 6 1 1 A 2 2 ILE HA H 144 4.171 4.582 -0.411 1 1 11 . 6 1 1 A 2 2 ILE C C 144 175.446 175.109 0.337 1 1 12 . 6 1 1 A 2 2 ILE CA C 144 60.547 60.081 0.466 1 1 13 . 6 1 1 A 2 2 ILE CB C 144 38.500 40.152 -1.652 1 1 17 . 6 1 1 A 3 3 ASP H H 145 8.584 8.328 0.256 1 1 18 . 6 1 1 A 3 3 ASP HA H 145 4.879 4.657 0.222 1 1 21 . 6 1 1 A 3 3 ASP CA C 145 51.583 52.145 -0.562 1 1 22 . 6 1 1 A 3 3 ASP CB C 145 41.044 41.728 -0.684 1 1 23 . 6 1 1 A 3 3 ASP N N 145 127.098 128.975 -1.877 1 1 24 . 6 1 1 A 4 4 PRO HA H 146 4.290 4.350 -0.060 1 1 31 . 6 1 1 A 4 4 PRO C C 146 176.840 178.287 -1.447 1 1 32 . 6 1 1 A 4 4 PRO CA C 146 63.386 65.824 -2.438 1 1 33 . 6 1 1 A 4 4 PRO CB C 146 31.799 31.517 0.282 1 1 36 . 6 1 1 A 5 5 PHE H H 147 8.323 7.870 0.453 1 1 37 . 6 1 1 A 5 5 PHE HA H 147 4.550 4.658 -0.108 1 1 44 . 6 1 1 A 5 5 PHE C C 147 176.081 175.022 1.059 1 1 45 . 6 1 1 A 5 5 PHE CA C 147 58.224 60.370 -2.146 1 1 46 . 6 1 1 A 5 5 PHE CB C 147 38.571 41.106 -2.535 1 1 47 . 6 1 1 A 5 5 PHE N N 147 118.510 117.404 1.106 1 1 48 . 6 1 1 A 6 6 THR H H 148 7.769 7.894 -0.125 1 1 49 . 6 1 1 A 6 6 THR HA H 148 4.195 4.590 -0.395 1 1 54 . 6 1 1 A 6 6 THR C C 148 173.870 174.349 -0.479 1 1 55 . 6 1 1 A 6 6 THR CA C 148 62.114 59.551 2.563 1 1 56 . 6 1 1 A 6 6 THR CB C 148 69.325 71.644 -2.319 1 1 58 . 6 1 1 A 6 6 THR N N 148 114.321 109.354 4.967 1 1 59 . 6 1 1 A 7 7 MET H H 149 8.101 8.740 -0.639 1 1 60 . 6 1 1 A 7 7 MET HA H 149 4.438 4.705 -0.267 1 1 65 . 6 1 1 A 7 7 MET C C 149 175.544 176.405 -0.861 1 1 66 . 6 1 1 A 7 7 MET CA C 149 55.218 55.757 -0.539 1 1 67 . 6 1 1 A 7 7 MET CB C 149 32.224 34.215 -1.991 1 1 69 . 6 1 1 A 7 7 MET N N 149 121.779 119.185 2.594 1 1 70 . 6 1 1 A 8 8 LEU H H 150 8.110 8.006 0.104 1 1 71 . 6 1 1 A 8 8 LEU HA H 150 4.467 4.033 0.434 1 1 81 . 6 1 1 A 8 8 LEU C C 150 175.439 176.534 -1.095 1 1 82 . 6 1 1 A 8 8 LEU CA C 150 54.333 57.361 -3.028 1 1 83 . 6 1 1 A 8 8 LEU CB C 150 40.631 41.538 -0.907 1 1 86 . 6 1 1 A 8 8 LEU N N 150 123.383 121.525 1.858 1 1 87 . 6 1 1 A 9 9 ARG H H 151 7.900 7.461 0.439 1 1 88 . 6 1 1 A 9 9 ARG HA H 151 4.769 4.406 0.363 1 1 93 . 6 1 1 A 9 9 ARG CA C 151 52.792 55.556 -2.764 1 1 94 . 6 1 1 A 9 9 ARG CB C 151 30.717 30.234 0.483 1 1 96 . 6 1 1 A 9 9 ARG N N 151 119.907 118.252 1.655 1 1 97 . 6 1 1 A 10 10 PRO HA H 152 4.546 4.499 0.047 1 1 104 . 6 1 1 A 10 10 PRO C C 152 175.520 175.816 -0.296 1 1 105 . 6 1 1 A 10 10 PRO CA C 152 62.580 63.127 -0.547 1 1 106 . 6 1 1 A 10 10 PRO CB C 152 31.507 32.447 -0.940 1 1 109 . 6 1 1 A 11 11 ARG H H 153 8.987 8.747 0.240 1 1 110 . 6 1 1 A 11 11 ARG HA H 153 4.462 4.836 -0.374 1 1 113 . 6 1 1 A 11 11 ARG C C 153 173.260 174.399 -1.139 1 1 114 . 6 1 1 A 11 11 ARG CA C 153 54.652 54.409 0.243 1 1 115 . 6 1 1 A 11 11 ARG CB C 153 32.449 34.081 -1.632 1 1 116 . 6 1 1 A 11 11 ARG N N 153 122.642 120.786 1.856 1 1 117 . 6 1 1 A 12 12 LEU H H 154 8.675 8.619 0.056 1 1 118 . 6 1 1 A 12 12 LEU HA H 154 4.926 4.807 0.119 1 1 127 . 6 1 1 A 12 12 LEU C C 154 176.282 175.301 0.981 1 1 128 . 6 1 1 A 12 12 LEU CA C 154 53.222 54.271 -1.049 1 1 129 . 6 1 1 A 12 12 LEU CB C 154 42.382 44.126 -1.744 1 1 132 . 6 1 1 A 12 12 LEU N N 154 125.776 124.700 1.076 1 1 133 . 6 1 1 A 13 13 CYS H H 155 9.509 9.432 0.077 1 1 134 . 6 1 1 A 13 13 CYS HA H 155 4.762 5.354 -0.592 1 1 137 . 6 1 1 A 13 13 CYS C C 155 173.211 173.318 -0.107 1 1 138 . 6 1 1 A 13 13 CYS CA C 155 57.646 57.290 0.356 1 1 139 . 6 1 1 A 13 13 CYS CB C 155 28.495 31.054 -2.559 1 1 140 . 6 1 1 A 13 13 CYS N N 155 130.053 125.943 4.110 1 1 141 . 6 1 1 A 14 14 THR H H 156 8.979 9.685 -0.706 1 1 142 . 6 1 1 A 14 14 THR HA H 156 4.927 5.099 -0.172 1 1 147 . 6 1 1 A 14 14 THR C C 156 172.990 173.745 -0.755 1 1 148 . 6 1 1 A 14 14 THR CA C 156 61.216 61.585 -0.369 1 1 149 . 6 1 1 A 14 14 THR CB C 156 69.306 71.085 -1.779 1 1 151 . 6 1 1 A 14 14 THR N N 156 122.811 120.951 1.860 1 1 152 . 6 1 1 A 15 15 MET H H 157 8.889 9.377 -0.488 1 1 153 . 6 1 1 A 15 15 MET HA H 157 5.006 5.423 -0.417 1 1 157 . 6 1 1 A 15 15 MET C C 157 176.000 175.181 0.819 1 1 158 . 6 1 1 A 15 15 MET CA C 157 54.167 53.150 1.017 1 1 159 . 6 1 1 A 15 15 MET CB C 157 39.030 35.110 3.920 1 1 160 . 6 1 1 A 15 15 MET N N 157 121.855 124.517 -2.662 1 1 161 . 6 1 1 A 16 16 LYS H H 158 8.614 8.687 -0.073 1 1 162 . 6 1 1 A 16 16 LYS HA H 158 5.262 4.710 0.552 1 1 167 . 6 1 1 A 16 16 LYS C C 158 175.677 176.850 -1.173 1 1 168 . 6 1 1 A 16 16 LYS CA C 158 54.283 55.305 -1.022 1 1 169 . 6 1 1 A 16 16 LYS CB C 158 34.677 33.510 1.167 1 1 172 . 6 1 1 A 16 16 LYS N N 158 122.373 121.665 0.708 1 1 173 . 6 1 1 A 17 17 LYS H H 159 8.519 9.418 -0.899 1 1 174 . 6 1 1 A 17 17 LYS HA H 159 3.208 3.408 -0.200 1 1 179 . 6 1 1 A 17 17 LYS C C 159 176.799 176.256 0.543 1 1 180 . 6 1 1 A 17 17 LYS CA C 159 58.532 59.239 -0.707 1 1 181 . 6 1 1 A 17 17 LYS CB C 159 33.471 32.230 1.241 1 1 184 . 6 1 1 A 17 17 LYS N N 159 123.623 127.103 -3.480 1 1 185 . 6 1 1 A 18 18 GLY H H 160 7.222 7.705 -0.483 1 1 186 . 6 1 1 A 18 18 GLY HA2 H 160 4.578 3.937 0.641 1 1 187 . 6 1 1 A 18 18 GLY HA3 H 160 3.950 3.948 0.002 1 1 188 . 6 1 1 A 18 18 GLY CA C 160 44.160 45.020 -0.860 1 1 189 . 6 1 1 A 18 18 GLY N N 160 111.304 107.192 4.112 1 1 190 . 6 1 1 A 19 19 PRO HA H 161 4.307 4.489 -0.182 1 1 197 . 6 1 1 A 19 19 PRO C C 161 177.523 176.990 0.533 1 1 198 . 6 1 1 A 19 19 PRO CA C 161 64.766 64.201 0.565 1 1 199 . 6 1 1 A 19 19 PRO CB C 161 31.509 31.827 -0.318 1 1 202 . 6 1 1 A 20 20 SER H H 162 8.462 7.683 0.779 1 1 203 . 6 1 1 A 20 20 SER HA H 162 4.708 4.417 0.291 1 1 206 . 6 1 1 A 20 20 SER C C 162 173.887 174.363 -0.476 1 1 207 . 6 1 1 A 20 20 SER CA C 162 56.541 58.751 -2.210 1 1 208 . 6 1 1 A 20 20 SER CB C 162 63.086 64.841 -1.755 1 1 209 . 6 1 1 A 20 20 SER N N 162 111.594 110.082 1.512 1 1 210 . 6 1 1 A 21 21 GLY H H 163 7.730 8.396 -0.666 1 1 211 . 6 1 1 A 21 21 GLY HA2 H 163 4.477 3.591 0.886 1 1 212 . 6 1 1 A 21 21 GLY HA3 H 163 3.242 3.773 -0.531 1 1 213 . 6 1 1 A 21 21 GLY CA C 163 43.895 46.623 -2.728 1 1 214 . 6 1 1 A 21 21 GLY N N 163 108.656 109.369 -0.713 1 1 215 . 6 1 1 A 22 22 TYR H H 164 7.210 8.450 -1.240 1 1 216 . 6 1 1 A 22 22 TYR HA H 164 4.366 4.251 0.115 1 1 223 . 6 1 1 A 22 22 TYR C C 164 176.198 176.265 -0.067 1 1 224 . 6 1 1 A 22 22 TYR CA C 164 60.930 58.711 2.219 1 1 225 . 6 1 1 A 22 22 TYR CB C 164 40.660 38.969 1.691 1 1 226 . 6 1 1 A 23 23 GLY H H 165 8.600 8.361 0.239 1 1 227 . 6 1 1 A 23 23 GLY HA2 H 165 4.511 3.829 0.682 1 1 228 . 6 1 1 A 23 23 GLY HA3 H 165 3.886 3.883 0.003 1 1 229 . 6 1 1 A 23 23 GLY C C 165 172.930 173.753 -0.823 1 1 230 . 6 1 1 A 23 23 GLY CA C 165 45.013 45.874 -0.861 1 1 231 . 6 1 1 A 23 23 GLY N N 165 103.183 107.803 -4.620 1 1 232 . 6 1 1 A 24 24 PHE H H 166 6.855 7.667 -0.812 1 1 233 . 6 1 1 A 24 24 PHE HA H 166 5.629 5.152 0.477 1 1 241 . 6 1 1 A 24 24 PHE C C 166 172.417 173.624 -1.207 1 1 242 . 6 1 1 A 24 24 PHE CA C 166 54.693 55.425 -0.732 1 1 243 . 6 1 1 A 24 24 PHE CB C 166 42.235 41.803 0.432 1 1 244 . 6 1 1 A 24 24 PHE N N 166 111.547 115.588 -4.041 1 1 245 . 6 1 1 A 25 25 ASN H H 167 8.121 9.635 -1.514 1 1 246 . 6 1 1 A 25 25 ASN HA H 167 5.097 5.656 -0.559 1 1 251 . 6 1 1 A 25 25 ASN C C 167 174.068 174.420 -0.352 1 1 252 . 6 1 1 A 25 25 ASN CA C 167 51.521 52.328 -0.807 1 1 253 . 6 1 1 A 25 25 ASN CB C 167 41.155 42.419 -1.264 1 1 254 . 6 1 1 A 25 25 ASN N N 167 117.619 117.521 0.098 1 1 256 . 6 1 1 A 26 26 LEU H H 168 9.287 8.849 0.438 1 1 257 . 6 1 1 A 26 26 LEU HA H 168 5.369 5.273 0.096 1 1 266 . 6 1 1 A 26 26 LEU C C 168 176.491 175.803 0.688 1 1 267 . 6 1 1 A 26 26 LEU CA C 168 54.171 53.784 0.387 1 1 268 . 6 1 1 A 26 26 LEU CB C 168 44.783 45.774 -0.991 1 1 272 . 6 1 1 A 26 26 LEU N N 168 123.933 121.102 2.831 1 1 273 . 6 1 1 A 27 27 HIS H H 169 9.466 9.311 0.155 1 1 274 . 6 1 1 A 27 27 HIS HA H 169 4.922 5.783 -0.861 1 1 276 . 6 1 1 A 27 27 HIS CA C 169 56.019 53.550 2.469 1 1 277 . 6 1 1 A 27 27 HIS CB C 169 33.352 32.888 0.464 1 1 278 . 6 1 1 A 27 27 HIS N N 169 119.976 120.093 -0.117 1 1 279 . 6 1 1 A 28 28 SER HA H 170 4.703 4.862 -0.159 1 1 282 . 6 1 1 A 28 28 SER C C 170 172.451 172.906 -0.455 1 1 283 . 6 1 1 A 28 28 SER CA C 170 57.104 56.182 0.922 1 1 284 . 6 1 1 A 28 28 SER CB C 170 63.937 65.728 -1.791 1 1 285 . 6 1 1 A 29 29 ASP H H 171 9.230 8.660 0.570 1 1 286 . 6 1 1 A 29 29 ASP HA H 171 4.591 4.560 0.031 1 1 289 . 6 1 1 A 29 29 ASP CA C 171 53.406 55.499 -2.093 1 1 290 . 6 1 1 A 29 29 ASP CB C 171 43.831 42.579 1.252 1 1 291 . 6 1 1 A 29 29 ASP N N 171 123.447 124.663 -1.216 1 1 292 . 6 1 1 A 30 30 LYS HA H 172 4.148 4.545 -0.397 1 1 298 . 6 1 1 A 30 30 LYS C C 172 176.768 176.619 0.149 1 1 299 . 6 1 1 A 30 30 LYS CA C 172 57.755 54.954 2.801 1 1 300 . 6 1 1 A 30 30 LYS CB C 172 31.872 33.678 -1.806 1 1 301 . 6 1 1 A 31 31 SER H H 173 8.803 8.674 0.129 1 1 302 . 6 1 1 A 31 31 SER HA H 173 4.419 4.767 -0.348 1 1 304 . 6 1 1 A 31 31 SER C C 173 173.570 174.654 -1.084 1 1 305 . 6 1 1 A 31 31 SER CA C 173 59.354 57.804 1.550 1 1 306 . 6 1 1 A 31 31 SER CB C 173 64.113 63.641 0.472 1 1 307 . 6 1 1 A 31 31 SER N N 173 115.001 117.422 -2.421 1 1 308 . 6 1 1 A 32 32 LYS H H 174 7.893 7.864 0.029 1 1 309 . 6 1 1 A 32 32 LYS HA H 174 4.804 4.416 0.388 1 1 316 . 6 1 1 A 32 32 LYS CA C 174 53.258 58.136 -4.878 1 1 317 . 6 1 1 A 32 32 LYS CB C 174 33.448 33.814 -0.366 1 1 321 . 6 1 1 A 32 32 LYS N N 174 122.863 120.341 2.522 1 1 322 . 6 1 1 A 33 33 PRO HA H 175 4.592 4.276 0.316 1 1 329 . 6 1 1 A 33 33 PRO C C 175 176.188 177.063 -0.875 1 1 330 . 6 1 1 A 33 33 PRO CA C 175 62.823 65.433 -2.610 1 1 331 . 6 1 1 A 33 33 PRO CB C 175 32.076 31.627 0.449 1 1 334 . 6 1 1 A 34 34 GLY H H 176 8.328 7.718 0.610 1 1 335 . 6 1 1 A 34 34 GLY HA2 H 176 4.179 4.127 0.052 1 1 336 . 6 1 1 A 34 34 GLY HA3 H 176 3.713 4.183 -0.470 1 1 337 . 6 1 1 A 34 34 GLY C C 176 172.298 172.586 -0.288 1 1 338 . 6 1 1 A 34 34 GLY CA C 176 43.770 44.572 -0.802 1 1 339 . 6 1 1 A 34 34 GLY N N 176 108.419 104.527 3.892 1 1 340 . 6 1 1 A 35 35 GLN H H 177 8.673 8.322 0.351 1 1 341 . 6 1 1 A 35 35 GLN HA H 177 4.761 4.851 -0.090 1 1 347 . 6 1 1 A 35 35 GLN C C 177 173.569 175.150 -1.581 1 1 348 . 6 1 1 A 35 35 GLN CA C 177 53.731 55.683 -1.952 1 1 349 . 6 1 1 A 35 35 GLN CB C 177 29.555 30.006 -0.451 1 1 351 . 6 1 1 A 35 35 GLN N N 177 117.933 121.638 -3.705 1 1 353 . 6 1 1 A 36 36 PHE H H 178 8.799 8.871 -0.072 1 1 354 . 6 1 1 A 36 36 PHE HA H 178 5.447 5.071 0.376 1 1 361 . 6 1 1 A 36 36 PHE C C 178 175.427 175.107 0.320 1 1 362 . 6 1 1 A 36 36 PHE CA C 178 55.349 56.867 -1.518 1 1 363 . 6 1 1 A 36 36 PHE CB C 178 42.486 42.903 -0.417 1 1 364 . 6 1 1 A 36 36 PHE N N 178 120.404 124.038 -3.634 1 1 365 . 6 1 1 A 37 37 ILE H H 179 9.203 8.696 0.507 1 1 366 . 6 1 1 A 37 37 ILE HA H 179 4.322 4.412 -0.090 1 1 376 . 6 1 1 A 37 37 ILE C C 179 176.207 176.341 -0.134 1 1 377 . 6 1 1 A 37 37 ILE CA C 179 58.611 60.252 -1.641 1 1 378 . 6 1 1 A 37 37 ILE CB C 179 34.911 38.577 -3.666 1 1 380 . 6 1 1 A 37 37 ILE N N 179 120.720 123.934 -3.214 1 1 381 . 6 1 1 A 38 38 ARG H H 180 9.453 8.597 0.856 1 1 382 . 6 1 1 A 38 38 ARG HA H 180 3.951 4.010 -0.059 1 1 389 . 6 1 1 A 38 38 ARG C C 180 175.332 176.119 -0.787 1 1 390 . 6 1 1 A 38 38 ARG CA C 180 58.035 56.375 1.660 1 1 391 . 6 1 1 A 38 38 ARG CB C 180 30.593 31.360 -0.767 1 1 393 . 6 1 1 A 38 38 ARG N N 180 132.453 124.449 8.004 1 1 394 . 6 1 1 A 39 39 SER H H 181 7.529 7.626 -0.097 1 1 395 . 6 1 1 A 39 39 SER HA H 181 4.553 4.737 -0.184 1 1 397 . 6 1 1 A 39 39 SER C C 181 170.792 172.154 -1.362 1 1 398 . 6 1 1 A 39 39 SER CA C 181 56.629 57.455 -0.826 1 1 399 . 6 1 1 A 39 39 SER CB C 181 64.756 65.158 -0.402 1 1 400 . 6 1 1 A 39 39 SER N N 181 109.145 113.390 -4.245 1 1 401 . 6 1 1 A 40 40 VAL H H 182 8.595 8.565 0.030 1 1 402 . 6 1 1 A 40 40 VAL HA H 182 4.609 4.831 -0.222 1 1 410 . 6 1 1 A 40 40 VAL C C 182 175.150 174.155 0.995 1 1 411 . 6 1 1 A 40 40 VAL CA C 182 60.603 60.405 0.198 1 1 412 . 6 1 1 A 40 40 VAL CB C 182 34.480 35.605 -1.125 1 1 415 . 6 1 1 A 40 40 VAL N N 182 119.939 123.428 -3.489 1 1 416 . 6 1 1 A 41 41 ASP H H 183 9.410 9.042 0.368 1 1 417 . 6 1 1 A 41 41 ASP HA H 183 4.770 4.815 -0.045 1 1 420 . 6 1 1 A 41 41 ASP CA C 183 52.418 51.479 0.939 1 1 421 . 6 1 1 A 41 41 ASP CB C 183 39.357 42.071 -2.714 1 1 422 . 6 1 1 A 41 41 ASP N N 183 129.870 127.169 2.701 1 1 423 . 6 1 1 A 42 42 PRO HA H 184 4.551 4.338 0.213 1 1 429 . 6 1 1 A 42 42 PRO C C 184 176.520 177.139 -0.619 1 1 430 . 6 1 1 A 42 42 PRO CA C 184 62.915 63.774 -0.859 1 1 431 . 6 1 1 A 42 42 PRO CB C 184 31.844 31.541 0.303 1 1 434 . 6 1 1 A 43 43 ASP H H 185 9.250 8.922 0.328 1 1 435 . 6 1 1 A 43 43 ASP HA H 185 4.356 4.272 0.084 1 1 438 . 6 1 1 A 43 43 ASP C C 185 173.959 174.728 -0.769 1 1 439 . 6 1 1 A 43 43 ASP CA C 185 55.638 55.617 0.021 1 1 440 . 6 1 1 A 43 43 ASP CB C 185 39.100 40.340 -1.240 1 1 441 . 6 1 1 A 43 43 ASP N N 185 118.710 122.562 -3.852 1 1 442 . 6 1 1 A 44 44 SER H H 186 7.336 7.624 -0.288 1 1 443 . 6 1 1 A 44 44 SER HA H 186 4.953 4.852 0.101 1 1 445 . 6 1 1 A 44 44 SER CA C 186 56.329 56.360 -0.031 1 1 446 . 6 1 1 A 44 44 SER CB C 186 65.440 63.625 1.815 1 1 447 . 6 1 1 A 44 44 SER N N 186 111.769 114.513 -2.744 1 1 448 . 6 1 1 A 45 45 PRO HA H 187 4.522 4.181 0.341 1 1 455 . 6 1 1 A 45 45 PRO C C 187 179.929 177.995 1.934 1 1 456 . 6 1 1 A 45 45 PRO CA C 187 65.133 65.687 -0.554 1 1 457 . 6 1 1 A 45 45 PRO CB C 187 32.682 31.680 1.002 1 1 459 . 6 1 1 A 46 46 ALA H H 188 8.492 7.981 0.511 1 1 460 . 6 1 1 A 46 46 ALA HA H 188 4.378 4.056 0.322 1 1 464 . 6 1 1 A 46 46 ALA C C 188 175.528 179.992 -4.464 1 1 465 . 6 1 1 A 46 46 ALA CA C 188 54.584 55.465 -0.881 1 1 466 . 6 1 1 A 46 46 ALA CB C 188 19.714 18.076 1.638 1 1 467 . 6 1 1 A 46 46 ALA N N 188 118.684 118.784 -0.100 1 1 468 . 6 1 1 A 47 47 GLU H H 189 8.266 8.044 0.222 1 1 469 . 6 1 1 A 47 47 GLU HA H 189 3.881 3.983 -0.102 1 1 472 . 6 1 1 A 47 47 GLU C C 189 173.891 178.307 -4.416 1 1 473 . 6 1 1 A 47 47 GLU CA C 189 59.881 59.369 0.512 1 1 474 . 6 1 1 A 47 47 GLU CB C 189 29.830 29.644 0.186 1 1 475 . 6 1 1 A 47 47 GLU N N 189 122.834 118.431 4.403 1 1 476 . 6 1 1 A 48 48 ALA H H 190 8.378 8.755 -0.377 1 1 477 . 6 1 1 A 48 48 ALA HA H 190 4.228 4.073 0.155 1 1 481 . 6 1 1 A 48 48 ALA C C 190 178.612 179.857 -1.245 1 1 482 . 6 1 1 A 48 48 ALA CA C 190 54.522 54.556 -0.034 1 1 483 . 6 1 1 A 48 48 ALA CB C 190 17.980 18.503 -0.523 1 1 484 . 6 1 1 A 48 48 ALA N N 190 122.847 122.045 0.802 1 1 485 . 6 1 1 A 49 49 SER H H 191 7.949 7.307 0.642 1 1 486 . 6 1 1 A 49 49 SER HA H 191 4.544 4.509 0.035 1 1 489 . 6 1 1 A 49 49 SER C C 191 174.409 174.617 -0.208 1 1 490 . 6 1 1 A 49 49 SER CA C 191 59.717 58.861 0.856 1 1 491 . 6 1 1 A 49 49 SER CB C 191 64.762 63.721 1.041 1 1 492 . 6 1 1 A 49 49 SER N N 191 112.314 110.598 1.716 1 1 493 . 6 1 1 A 50 50 GLY H H 192 7.604 7.998 -0.394 1 1 494 . 6 1 1 A 50 50 GLY HA2 H 192 4.427 4.097 0.330 1 1 495 . 6 1 1 A 50 50 GLY HA3 H 192 3.714 4.097 -0.383 1 1 496 . 6 1 1 A 50 50 GLY C C 192 173.516 174.536 -1.020 1 1 497 . 6 1 1 A 50 50 GLY CA C 192 44.654 45.000 -0.346 1 1 498 . 6 1 1 A 50 50 GLY N N 192 107.849 108.787 -0.938 1 1 499 . 6 1 1 A 51 51 LEU H H 193 7.268 8.056 -0.788 1 1 500 . 6 1 1 A 51 51 LEU HA H 193 3.969 4.546 -0.577 1 1 510 . 6 1 1 A 51 51 LEU C C 193 174.799 175.993 -1.194 1 1 511 . 6 1 1 A 51 51 LEU CA C 193 55.198 54.874 0.324 1 1 512 . 6 1 1 A 51 51 LEU CB C 193 43.724 43.052 0.672 1 1 515 . 6 1 1 A 51 51 LEU N N 193 124.317 123.401 0.916 1 1 516 . 6 1 1 A 52 52 ARG H H 194 8.891 8.601 0.290 1 1 517 . 6 1 1 A 52 52 ARG HA H 194 4.613 5.016 -0.403 1 1 521 . 6 1 1 A 52 52 ARG C C 194 174.936 175.480 -0.544 1 1 522 . 6 1 1 A 52 52 ARG CA C 194 54.127 53.924 0.203 1 1 523 . 6 1 1 A 52 52 ARG CB C 194 34.156 33.955 0.201 1 1 524 . 6 1 1 A 52 52 ARG N N 194 124.468 125.210 -0.742 1 1 525 . 6 1 1 A 53 53 ALA H H 195 8.677 8.566 0.111 1 1 526 . 6 1 1 A 53 53 ALA HA H 195 3.682 4.054 -0.372 1 1 530 . 6 1 1 A 53 53 ALA C C 195 178.524 178.087 0.437 1 1 531 . 6 1 1 A 53 53 ALA CA C 195 53.523 52.515 1.008 1 1 532 . 6 1 1 A 53 53 ALA CB C 195 17.963 19.489 -1.526 1 1 533 . 6 1 1 A 53 53 ALA N N 195 122.213 127.492 -5.279 1 1 534 . 6 1 1 A 54 54 GLN H H 196 9.490 8.823 0.667 1 1 535 . 6 1 1 A 54 54 GLN HA H 196 4.032 4.081 -0.049 1 1 541 . 6 1 1 A 54 54 GLN C C 196 174.503 174.465 0.038 1 1 542 . 6 1 1 A 54 54 GLN CA C 196 58.036 57.943 0.093 1 1 543 . 6 1 1 A 54 54 GLN CB C 196 26.208 27.016 -0.808 1 1 544 . 6 1 1 A 54 54 GLN N N 196 115.882 115.438 0.444 1 1 546 . 6 1 1 A 55 55 ASP H H 197 7.798 7.562 0.236 1 1 547 . 6 1 1 A 55 55 ASP HA H 197 4.757 5.135 -0.378 1 1 550 . 6 1 1 A 55 55 ASP C C 197 174.629 175.226 -0.597 1 1 551 . 6 1 1 A 55 55 ASP CA C 197 55.315 53.158 2.157 1 1 552 . 6 1 1 A 55 55 ASP CB C 197 41.416 42.507 -1.091 1 1 553 . 6 1 1 A 55 55 ASP N N 197 121.039 119.866 1.173 1 1 554 . 6 1 1 A 56 56 ARG H H 198 8.938 9.068 -0.130 1 1 555 . 6 1 1 A 56 56 ARG HA H 198 4.430 4.479 -0.049 1 1 557 . 6 1 1 A 56 56 ARG C C 198 174.400 175.413 -1.013 1 1 558 . 6 1 1 A 56 56 ARG CA C 198 54.273 54.850 -0.577 1 1 559 . 6 1 1 A 56 56 ARG CB C 198 32.499 31.660 0.839 1 1 560 . 6 1 1 A 56 56 ARG N N 198 122.032 120.695 1.337 1 1 561 . 6 1 1 A 57 57 ILE H H 199 8.179 8.664 -0.485 1 1 562 . 6 1 1 A 57 57 ILE HA H 199 3.746 4.041 -0.295 1 1 572 . 6 1 1 A 57 57 ILE C C 199 174.272 175.427 -1.155 1 1 573 . 6 1 1 A 57 57 ILE CA C 199 62.349 61.797 0.552 1 1 574 . 6 1 1 A 57 57 ILE CB C 199 38.071 36.709 1.362 1 1 578 . 6 1 1 A 57 57 ILE N N 199 124.246 125.482 -1.236 1 1 579 . 6 1 1 A 58 58 VAL H H 200 9.389 9.439 -0.050 1 1 580 . 6 1 1 A 58 58 VAL HA H 200 4.107 3.934 0.173 1 1 588 . 6 1 1 A 58 58 VAL C C 200 176.755 176.199 0.556 1 1 589 . 6 1 1 A 58 58 VAL CA C 200 63.067 64.186 -1.119 1 1 590 . 6 1 1 A 58 58 VAL CB C 200 32.894 32.585 0.309 1 1 592 . 6 1 1 A 58 58 VAL N N 200 127.780 129.340 -1.560 1 1 593 . 6 1 1 A 59 59 GLU H H 201 7.850 7.472 0.378 1 1 594 . 6 1 1 A 59 59 GLU HA H 201 5.126 5.073 0.053 1 1 598 . 6 1 1 A 59 59 GLU C C 201 175.123 174.090 1.033 1 1 599 . 6 1 1 A 59 59 GLU CA C 201 54.610 54.699 -0.089 1 1 600 . 6 1 1 A 59 59 GLU CB C 201 34.407 32.926 1.481 1 1 602 . 6 1 1 A 59 59 GLU N N 201 116.847 115.792 1.055 1 1 603 . 6 1 1 A 60 60 VAL H H 202 8.110 8.445 -0.335 1 1 604 . 6 1 1 A 60 60 VAL HA H 202 4.433 4.443 -0.010 1 1 612 . 6 1 1 A 60 60 VAL C C 202 175.772 176.202 -0.430 1 1 613 . 6 1 1 A 60 60 VAL CA C 202 60.952 61.469 -0.517 1 1 614 . 6 1 1 A 60 60 VAL CB C 202 33.802 34.188 -0.386 1 1 616 . 6 1 1 A 60 60 VAL N N 202 118.751 119.443 -0.692 1 1 617 . 6 1 1 A 61 61 ASN H H 203 9.900 9.994 -0.094 1 1 618 . 6 1 1 A 61 61 ASN HA H 203 4.312 4.425 -0.113 1 1 621 . 6 1 1 A 61 61 ASN C C 203 174.718 174.471 0.247 1 1 622 . 6 1 1 A 61 61 ASN CA C 203 54.260 54.146 0.114 1 1 623 . 6 1 1 A 61 61 ASN CB C 203 36.965 37.497 -0.532 1 1 624 . 6 1 1 A 61 61 ASN N N 203 128.765 125.736 3.029 1 1 625 . 6 1 1 A 62 62 GLY H H 204 9.192 7.802 1.390 1 1 626 . 6 1 1 A 62 62 GLY HA2 H 204 3.979 3.930 0.049 1 1 627 . 6 1 1 A 62 62 GLY HA3 H 204 3.734 3.931 -0.197 1 1 628 . 6 1 1 A 62 62 GLY C C 204 173.240 174.461 -1.221 1 1 629 . 6 1 1 A 62 62 GLY CA C 204 44.996 45.103 -0.107 1 1 630 . 6 1 1 A 62 62 GLY N N 204 103.295 104.634 -1.339 1 1 631 . 6 1 1 A 63 63 VAL H H 205 7.792 7.407 0.385 1 1 632 . 6 1 1 A 63 63 VAL HA H 205 4.085 4.206 -0.121 1 1 637 . 6 1 1 A 63 63 VAL C C 205 174.605 174.617 -0.012 1 1 638 . 6 1 1 A 63 63 VAL CA C 205 61.373 61.297 0.076 1 1 639 . 6 1 1 A 63 63 VAL CB C 205 32.623 31.564 1.059 1 1 642 . 6 1 1 A 63 63 VAL N N 205 122.193 119.292 2.901 1 1 643 . 6 1 1 A 64 64 CYS H H 206 8.878 8.932 -0.054 1 1 644 . 6 1 1 A 64 64 CYS HA H 206 4.265 4.732 -0.467 1 1 647 . 6 1 1 A 64 64 CYS C C 206 176.086 173.934 2.152 1 1 648 . 6 1 1 A 64 64 CYS CA C 206 61.148 58.129 3.019 1 1 649 . 6 1 1 A 64 64 CYS CB C 206 27.938 27.933 0.005 1 1 650 . 6 1 1 A 64 64 CYS N N 206 128.575 127.814 0.761 1 1 651 . 6 1 1 A 65 65 MET H H 207 8.413 8.604 -0.191 1 1 652 . 6 1 1 A 65 65 MET HA H 207 4.877 5.147 -0.270 1 1 654 . 6 1 1 A 65 65 MET CA C 207 52.697 54.410 -1.713 1 1 655 . 6 1 1 A 65 65 MET CB C 207 33.908 34.846 -0.938 1 1 656 . 6 1 1 A 65 65 MET N N 207 125.926 127.192 -1.266 1 1 657 . 6 1 1 A 66 66 GLU H H 208 8.768 8.729 0.039 1 1 658 . 6 1 1 A 66 66 GLU HA H 208 4.187 4.053 0.134 1 1 662 . 6 1 1 A 66 66 GLU C C 208 177.644 176.967 0.677 1 1 663 . 6 1 1 A 66 66 GLU CA C 208 58.586 58.016 0.570 1 1 664 . 6 1 1 A 66 66 GLU CB C 208 28.916 29.557 -0.641 1 1 665 . 6 1 1 A 67 67 GLY H H 209 9.144 8.903 0.241 1 1 666 . 6 1 1 A 67 67 GLY HA2 H 209 4.156 4.008 0.148 1 1 667 . 6 1 1 A 67 67 GLY HA3 H 209 3.746 4.016 -0.270 1 1 668 . 6 1 1 A 67 67 GLY C C 209 173.880 174.705 -0.825 1 1 669 . 6 1 1 A 67 67 GLY CA C 209 45.339 45.042 0.297 1 1 670 . 6 1 1 A 67 67 GLY N N 209 114.503 114.649 -0.146 1 1 671 . 6 1 1 A 68 68 LYS H H 210 7.585 7.204 0.381 1 1 672 . 6 1 1 A 68 68 LYS HA H 210 4.550 4.229 0.321 1 1 675 . 6 1 1 A 68 68 LYS C C 210 176.239 175.904 0.335 1 1 676 . 6 1 1 A 68 68 LYS CA C 210 54.802 56.824 -2.022 1 1 677 . 6 1 1 A 68 68 LYS CB C 210 32.493 33.850 -1.357 1 1 679 . 6 1 1 A 68 68 LYS N N 210 119.299 120.576 -1.277 1 1 680 . 6 1 1 A 69 69 GLN H H 211 9.176 8.929 0.247 1 1 681 . 6 1 1 A 69 69 GLN HA H 211 4.534 4.524 0.010 1 1 688 . 6 1 1 A 69 69 GLN C C 211 176.499 177.340 -0.841 1 1 689 . 6 1 1 A 69 69 GLN CA C 211 54.286 54.962 -0.676 1 1 690 . 6 1 1 A 69 69 GLN CB C 211 30.414 29.588 0.826 1 1 692 . 6 1 1 A 69 69 GLN N N 211 119.518 121.482 -1.964 1 1 694 . 6 1 1 A 70 70 HIS H H 212 9.097 9.134 -0.037 1 1 695 . 6 1 1 A 70 70 HIS HA H 212 3.866 4.103 -0.237 1 1 698 . 6 1 1 A 70 70 HIS C C 212 176.987 177.035 -0.048 1 1 699 . 6 1 1 A 70 70 HIS CA C 212 61.326 59.672 1.654 1 1 700 . 6 1 1 A 70 70 HIS CB C 212 30.480 30.339 0.141 1 1 701 . 6 1 1 A 70 70 HIS N N 212 122.474 123.080 -0.606 1 1 702 . 6 1 1 A 71 71 GLY H H 213 9.138 8.615 0.523 1 1 703 . 6 1 1 A 71 71 GLY HA2 H 213 3.930 3.706 0.224 1 1 704 . 6 1 1 A 71 71 GLY HA3 H 213 3.693 3.722 -0.029 1 1 705 . 6 1 1 A 71 71 GLY C C 213 176.374 175.971 0.403 1 1 706 . 6 1 1 A 71 71 GLY CA C 213 46.837 47.065 -0.228 1 1 707 . 6 1 1 A 71 71 GLY N N 213 103.821 106.555 -2.734 1 1 708 . 6 1 1 A 72 72 ASP H H 214 7.344 7.913 -0.569 1 1 709 . 6 1 1 A 72 72 ASP HA H 214 4.499 4.348 0.151 1 1 712 . 6 1 1 A 72 72 ASP C C 214 178.391 178.681 -0.290 1 1 713 . 6 1 1 A 72 72 ASP CA C 214 56.650 56.785 -0.135 1 1 714 . 6 1 1 A 72 72 ASP CB C 214 41.284 40.864 0.420 1 1 715 . 6 1 1 A 72 72 ASP N N 214 120.357 122.659 -2.302 1 1 716 . 6 1 1 A 73 73 VAL H H 215 7.697 8.330 -0.633 1 1 717 . 6 1 1 A 73 73 VAL HA H 215 3.804 3.567 0.237 1 1 725 . 6 1 1 A 73 73 VAL C C 215 177.258 178.473 -1.215 1 1 726 . 6 1 1 A 73 73 VAL CA C 215 65.957 66.326 -0.369 1 1 727 . 6 1 1 A 73 73 VAL CB C 215 31.411 31.507 -0.096 1 1 730 . 6 1 1 A 73 73 VAL N N 215 123.318 120.415 2.903 1 1 731 . 6 1 1 A 74 74 VAL H H 216 8.144 8.662 -0.518 1 1 732 . 6 1 1 A 74 74 VAL HA H 216 3.474 3.470 0.004 1 1 740 . 6 1 1 A 74 74 VAL C C 216 178.839 178.097 0.742 1 1 741 . 6 1 1 A 74 74 VAL CA C 216 66.866 66.336 0.530 1 1 742 . 6 1 1 A 74 74 VAL CB C 216 31.496 31.506 -0.010 1 1 745 . 6 1 1 A 74 74 VAL N N 216 118.785 121.197 -2.412 1 1 746 . 6 1 1 A 75 75 SER H H 217 8.153 8.551 -0.398 1 1 747 . 6 1 1 A 75 75 SER HA H 217 4.131 4.187 -0.056 1 1 750 . 6 1 1 A 75 75 SER C C 217 176.246 176.237 0.009 1 1 751 . 6 1 1 A 75 75 SER CA C 217 62.198 61.832 0.366 1 1 752 . 6 1 1 A 75 75 SER CB C 217 65.986 63.228 2.758 1 1 753 . 6 1 1 A 75 75 SER N N 217 115.428 115.857 -0.429 1 1 754 . 6 1 1 A 76 76 ALA H H 218 7.873 8.355 -0.482 1 1 755 . 6 1 1 A 76 76 ALA HA H 218 4.220 4.173 0.047 1 1 759 . 6 1 1 A 76 76 ALA C C 218 180.251 180.041 0.210 1 1 760 . 6 1 1 A 76 76 ALA CA C 218 54.649 55.158 -0.509 1 1 761 . 6 1 1 A 76 76 ALA CB C 218 17.519 18.062 -0.543 1 1 762 . 6 1 1 A 76 76 ALA N N 218 125.449 122.937 2.512 1 1 763 . 6 1 1 A 77 77 ILE H H 219 8.357 8.229 0.128 1 1 764 . 6 1 1 A 77 77 ILE HA H 219 3.511 3.665 -0.154 1 1 774 . 6 1 1 A 77 77 ILE C C 219 181.394 178.274 3.120 1 1 775 . 6 1 1 A 77 77 ILE CA C 219 65.003 65.009 -0.006 1 1 776 . 6 1 1 A 77 77 ILE CB C 219 38.374 37.311 1.063 1 1 779 . 6 1 1 A 77 77 ILE N N 219 119.293 117.842 1.451 1 1 780 . 6 1 1 A 78 78 ARG H H 220 8.817 7.738 1.079 1 1 781 . 6 1 1 A 78 78 ARG HA H 220 4.162 4.119 0.043 1 1 786 . 6 1 1 A 78 78 ARG C C 220 178.163 178.044 0.119 1 1 787 . 6 1 1 A 78 78 ARG CA C 220 59.499 59.401 0.098 1 1 788 . 6 1 1 A 78 78 ARG CB C 220 30.018 30.102 -0.084 1 1 790 . 6 1 1 A 78 78 ARG N N 220 124.633 123.418 1.215 1 1 791 . 6 1 1 A 79 79 ALA H H 221 8.207 8.135 0.072 1 1 792 . 6 1 1 A 79 79 ALA HA H 221 4.223 4.242 -0.019 1 1 796 . 6 1 1 A 79 79 ALA C C 221 178.343 178.521 -0.178 1 1 797 . 6 1 1 A 79 79 ALA CA C 221 54.107 52.758 1.349 1 1 798 . 6 1 1 A 79 79 ALA CB C 221 18.055 18.717 -0.662 1 1 799 . 6 1 1 A 79 79 ALA N N 221 120.984 120.666 0.318 1 1 800 . 6 1 1 A 80 80 GLY H H 222 7.239 8.043 -0.804 1 1 801 . 6 1 1 A 80 80 GLY HA2 H 222 4.287 3.993 0.294 1 1 802 . 6 1 1 A 80 80 GLY C C 222 174.203 174.547 -0.344 1 1 803 . 6 1 1 A 80 80 GLY CA C 222 44.921 45.266 -0.345 1 1 804 . 6 1 1 A 80 80 GLY N N 222 102.308 107.734 -5.426 1 1 805 . 6 1 1 A 81 81 GLY H H 223 7.873 8.215 -0.342 1 1 806 . 6 1 1 A 81 81 GLY HA2 H 223 4.229 3.832 0.397 1 1 807 . 6 1 1 A 81 81 GLY HA3 H 223 3.735 3.835 -0.100 1 1 808 . 6 1 1 A 81 81 GLY C C 223 174.031 174.786 -0.755 1 1 809 . 6 1 1 A 81 81 GLY CA C 223 46.465 46.959 -0.494 1 1 810 . 6 1 1 A 81 81 GLY N N 223 107.624 107.480 0.144 1 1 811 . 6 1 1 A 82 82 ASP H H 224 9.157 8.741 0.416 1 1 812 . 6 1 1 A 82 82 ASP HA H 224 4.625 4.590 0.035 1 1 815 . 6 1 1 A 82 82 ASP C C 224 173.254 175.922 -2.668 1 1 816 . 6 1 1 A 82 82 ASP CA C 224 54.408 54.539 -0.131 1 1 817 . 6 1 1 A 82 82 ASP CB C 224 40.829 41.800 -0.971 1 1 818 . 6 1 1 A 82 82 ASP N N 224 128.466 126.401 2.065 1 1 819 . 6 1 1 A 83 83 GLU H H 225 7.479 7.591 -0.112 1 1 820 . 6 1 1 A 83 83 GLU HA H 225 5.454 4.791 0.663 1 1 825 . 6 1 1 A 83 83 GLU C C 225 175.120 175.503 -0.383 1 1 826 . 6 1 1 A 83 83 GLU CA C 225 54.723 55.701 -0.978 1 1 827 . 6 1 1 A 83 83 GLU CB C 225 33.927 31.673 2.254 1 1 829 . 6 1 1 A 83 83 GLU N N 225 118.419 120.016 -1.597 1 1 830 . 6 1 1 A 84 84 THR H H 226 8.759 9.413 -0.654 1 1 831 . 6 1 1 A 84 84 THR HA H 226 4.680 4.858 -0.178 1 1 836 . 6 1 1 A 84 84 THR C C 226 170.497 173.644 -3.147 1 1 837 . 6 1 1 A 84 84 THR CA C 226 62.538 61.911 0.627 1 1 838 . 6 1 1 A 84 84 THR CB C 226 70.389 69.507 0.882 1 1 840 . 6 1 1 A 84 84 THR N N 226 116.177 122.364 -6.187 1 1 841 . 6 1 1 A 85 85 LYS H H 227 7.829 8.969 -1.140 1 1 842 . 6 1 1 A 85 85 LYS HA H 227 5.085 4.741 0.344 1 1 847 . 6 1 1 A 85 85 LYS C C 227 174.884 175.240 -0.356 1 1 848 . 6 1 1 A 85 85 LYS CA C 227 54.338 55.832 -1.494 1 1 849 . 6 1 1 A 85 85 LYS CB C 227 34.154 32.534 1.620 1 1 853 . 6 1 1 A 85 85 LYS N N 227 125.540 127.475 -1.935 1 1 854 . 6 1 1 A 86 86 LEU H H 228 8.977 9.197 -0.220 1 1 855 . 6 1 1 A 86 86 LEU HA H 228 5.049 5.159 -0.110 1 1 864 . 6 1 1 A 86 86 LEU C C 228 174.337 175.531 -1.194 1 1 865 . 6 1 1 A 86 86 LEU CA C 228 52.201 53.499 -1.298 1 1 866 . 6 1 1 A 86 86 LEU CB C 228 44.238 44.498 -0.260 1 1 867 . 6 1 1 A 86 86 LEU N N 228 125.294 126.439 -1.145 1 1 868 . 6 1 1 A 87 87 LEU H H 229 8.619 8.575 0.044 1 1 869 . 6 1 1 A 87 87 LEU HA H 229 5.244 5.224 0.020 1 1 875 . 6 1 1 A 87 87 LEU C C 229 175.951 175.610 0.341 1 1 876 . 6 1 1 A 87 87 LEU CA C 229 53.857 53.639 0.218 1 1 877 . 6 1 1 A 87 87 LEU CB C 229 43.711 44.497 -0.786 1 1 878 . 6 1 1 A 87 87 LEU N N 229 128.223 127.487 0.736 1 1 879 . 6 1 1 A 88 88 VAL H H 230 9.291 8.753 0.538 1 1 880 . 6 1 1 A 88 88 VAL HA H 230 5.627 5.541 0.086 1 1 888 . 6 1 1 A 88 88 VAL C C 230 174.077 174.745 -0.668 1 1 889 . 6 1 1 A 88 88 VAL CA C 230 58.217 59.433 -1.216 1 1 890 . 6 1 1 A 88 88 VAL CB C 230 36.697 36.206 0.491 1 1 893 . 6 1 1 A 88 88 VAL N N 230 120.780 121.138 -0.358 1 1 894 . 6 1 1 A 89 89 VAL H H 231 8.241 8.156 0.085 1 1 895 . 6 1 1 A 89 89 VAL HA H 231 4.814 4.560 0.254 1 1 903 . 6 1 1 A 89 89 VAL C C 231 174.661 174.571 0.090 1 1 904 . 6 1 1 A 89 89 VAL CA C 231 58.524 60.469 -1.945 1 1 905 . 6 1 1 A 89 89 VAL CB C 231 35.588 35.694 -0.106 1 1 908 . 6 1 1 A 89 89 VAL N N 231 110.935 120.846 -9.911 1 1 909 . 6 1 1 A 90 90 ASP H H 232 7.841 8.719 -0.878 1 1 910 . 6 1 1 A 90 90 ASP HA H 232 4.883 4.697 0.186 1 1 913 . 6 1 1 A 90 90 ASP C C 232 175.406 176.794 -1.388 1 1 914 . 6 1 1 A 90 90 ASP CA C 232 52.420 54.306 -1.886 1 1 915 . 6 1 1 A 90 90 ASP CB C 232 41.621 41.295 0.326 1 1 916 . 6 1 1 A 90 90 ASP N N 232 122.442 126.395 -3.953 1 1 917 . 6 1 1 A 91 91 ARG H H 233 8.780 8.604 0.176 1 1 918 . 6 1 1 A 91 91 ARG HA H 233 4.228 4.432 -0.204 1 1 921 . 6 1 1 A 91 91 ARG C C 233 177.865 178.436 -0.571 1 1 922 . 6 1 1 A 91 91 ARG CA C 233 58.821 58.042 0.779 1 1 923 . 6 1 1 A 91 91 ARG CB C 233 29.977 30.536 -0.559 1 1 925 . 6 1 1 A 91 91 ARG N N 233 120.292 127.646 -7.354 1 1 926 . 6 1 1 A 92 92 GLU H H 234 8.663 7.937 0.726 1 1 927 . 6 1 1 A 92 92 GLU HA H 234 4.071 4.213 -0.142 1 1 932 . 6 1 1 A 92 92 GLU C C 234 178.395 179.317 -0.922 1 1 933 . 6 1 1 A 92 92 GLU CA C 234 59.115 58.908 0.207 1 1 934 . 6 1 1 A 92 92 GLU CB C 234 29.131 30.313 -1.182 1 1 936 . 6 1 1 A 92 92 GLU N N 234 119.448 119.195 0.253 1 1 937 . 6 1 1 A 93 93 THR H H 235 8.255 8.337 -0.082 1 1 938 . 6 1 1 A 93 93 THR HA H 235 3.975 4.131 -0.156 1 1 943 . 6 1 1 A 93 93 THR C C 235 175.146 175.958 -0.812 1 1 944 . 6 1 1 A 93 93 THR CA C 235 65.516 66.350 -0.834 1 1 945 . 6 1 1 A 93 93 THR CB C 235 68.363 68.403 -0.040 1 1 947 . 6 1 1 A 93 93 THR N N 235 117.260 118.856 -1.596 1 1 948 . 6 1 1 A 94 94 ASP H H 236 8.302 8.385 -0.083 1 1 949 . 6 1 1 A 94 94 ASP HA H 236 4.557 4.422 0.135 1 1 952 . 6 1 1 A 94 94 ASP C C 236 177.739 177.493 0.246 1 1 953 . 6 1 1 A 94 94 ASP CA C 236 55.460 57.836 -2.376 1 1 954 . 6 1 1 A 94 94 ASP CB C 236 41.093 41.352 -0.259 1 1 955 . 6 1 1 A 94 94 ASP N N 236 122.075 121.392 0.683 1 1 956 . 6 1 1 A 95 95 GLU H H 237 8.084 8.167 -0.083 1 1 957 . 6 1 1 A 95 95 GLU HA H 237 4.032 4.560 -0.528 1 1 961 . 6 1 1 A 95 95 GLU C C 237 176.899 178.283 -1.384 1 1 962 . 6 1 1 A 95 95 GLU CA C 237 57.612 58.760 -1.148 1 1 963 . 6 1 1 A 95 95 GLU CB C 237 29.393 31.072 -1.679 1 1 965 . 6 1 1 A 95 95 GLU N N 237 117.733 117.335 0.398 1 1 966 . 6 1 1 A 96 96 PHE H H 238 7.927 8.682 -0.755 1 1 967 . 6 1 1 A 96 96 PHE HA H 238 4.363 4.261 0.102 1 1 974 . 6 1 1 A 96 96 PHE C C 238 175.655 177.672 -2.017 1 1 975 . 6 1 1 A 96 96 PHE CA C 238 59.139 61.855 -2.716 1 1 976 . 6 1 1 A 96 96 PHE CB C 238 39.723 39.803 -0.080 1 1 977 . 6 1 1 A 96 96 PHE N N 238 119.312 121.457 -2.145 1 1 978 . 6 1 1 A 97 97 PHE H H 239 7.896 8.383 -0.487 1 1 979 . 6 1 1 A 97 97 PHE HA H 239 4.506 3.874 0.632 1 1 986 . 6 1 1 A 97 97 PHE C C 239 174.173 177.465 -3.292 1 1 987 . 6 1 1 A 97 97 PHE CA C 239 58.034 60.812 -2.778 1 1 988 . 6 1 1 A 97 97 PHE CB C 239 39.447 39.284 0.163 1 1 989 . 6 1 1 A 97 97 PHE N N 239 119.260 119.909 -0.649 1 1 1 . 7 1 1 A 2 2 ILE HA H 144 4.171 4.876 -0.705 1 1 11 . 7 1 1 A 2 2 ILE C C 144 175.446 174.102 1.344 1 1 12 . 7 1 1 A 2 2 ILE CA C 144 60.547 59.294 1.253 1 1 13 . 7 1 1 A 2 2 ILE CB C 144 38.500 40.893 -2.393 1 1 17 . 7 1 1 A 3 3 ASP H H 145 8.584 8.544 0.040 1 1 18 . 7 1 1 A 3 3 ASP HA H 145 4.879 4.623 0.256 1 1 21 . 7 1 1 A 3 3 ASP CA C 145 51.583 52.229 -0.646 1 1 22 . 7 1 1 A 3 3 ASP CB C 145 41.044 41.755 -0.711 1 1 23 . 7 1 1 A 3 3 ASP N N 145 127.098 128.582 -1.484 1 1 24 . 7 1 1 A 4 4 PRO HA H 146 4.290 4.364 -0.074 1 1 31 . 7 1 1 A 4 4 PRO C C 146 176.840 178.362 -1.522 1 1 32 . 7 1 1 A 4 4 PRO CA C 146 63.386 65.766 -2.380 1 1 33 . 7 1 1 A 4 4 PRO CB C 146 31.799 31.815 -0.016 1 1 36 . 7 1 1 A 5 5 PHE H H 147 8.323 8.073 0.250 1 1 37 . 7 1 1 A 5 5 PHE HA H 147 4.550 4.333 0.217 1 1 44 . 7 1 1 A 5 5 PHE C C 147 176.081 175.589 0.492 1 1 45 . 7 1 1 A 5 5 PHE CA C 147 58.224 60.766 -2.542 1 1 46 . 7 1 1 A 5 5 PHE CB C 147 38.571 40.617 -2.046 1 1 47 . 7 1 1 A 5 5 PHE N N 147 118.510 118.341 0.169 1 1 48 . 7 1 1 A 6 6 THR H H 148 7.769 7.553 0.216 1 1 49 . 7 1 1 A 6 6 THR HA H 148 4.195 4.549 -0.354 1 1 54 . 7 1 1 A 6 6 THR C C 148 173.870 172.992 0.878 1 1 55 . 7 1 1 A 6 6 THR CA C 148 62.114 61.271 0.843 1 1 56 . 7 1 1 A 6 6 THR CB C 148 69.325 70.407 -1.082 1 1 58 . 7 1 1 A 6 6 THR N N 148 114.321 106.819 7.502 1 1 59 . 7 1 1 A 7 7 MET H H 149 8.101 8.903 -0.802 1 1 60 . 7 1 1 A 7 7 MET HA H 149 4.438 4.679 -0.241 1 1 65 . 7 1 1 A 7 7 MET C C 149 175.544 176.321 -0.777 1 1 66 . 7 1 1 A 7 7 MET CA C 149 55.218 56.359 -1.141 1 1 67 . 7 1 1 A 7 7 MET CB C 149 32.224 35.081 -2.857 1 1 69 . 7 1 1 A 7 7 MET N N 149 121.779 120.866 0.913 1 1 70 . 7 1 1 A 8 8 LEU H H 150 8.110 8.103 0.007 1 1 71 . 7 1 1 A 8 8 LEU HA H 150 4.467 4.618 -0.151 1 1 81 . 7 1 1 A 8 8 LEU C C 150 175.439 176.233 -0.794 1 1 82 . 7 1 1 A 8 8 LEU CA C 150 54.333 55.155 -0.822 1 1 83 . 7 1 1 A 8 8 LEU CB C 150 40.631 44.548 -3.917 1 1 86 . 7 1 1 A 8 8 LEU N N 150 123.383 118.761 4.622 1 1 87 . 7 1 1 A 9 9 ARG H H 151 7.900 7.376 0.524 1 1 88 . 7 1 1 A 9 9 ARG HA H 151 4.769 4.421 0.348 1 1 93 . 7 1 1 A 9 9 ARG CA C 151 52.792 55.377 -2.585 1 1 94 . 7 1 1 A 9 9 ARG CB C 151 30.717 30.148 0.569 1 1 96 . 7 1 1 A 9 9 ARG N N 151 119.907 117.078 2.829 1 1 97 . 7 1 1 A 10 10 PRO HA H 152 4.546 4.599 -0.053 1 1 104 . 7 1 1 A 10 10 PRO C C 152 175.520 175.276 0.244 1 1 105 . 7 1 1 A 10 10 PRO CA C 152 62.580 62.440 0.140 1 1 106 . 7 1 1 A 10 10 PRO CB C 152 31.507 32.982 -1.475 1 1 109 . 7 1 1 A 11 11 ARG H H 153 8.987 9.201 -0.214 1 1 110 . 7 1 1 A 11 11 ARG HA H 153 4.462 4.827 -0.365 1 1 113 . 7 1 1 A 11 11 ARG C C 153 173.260 174.483 -1.223 1 1 114 . 7 1 1 A 11 11 ARG CA C 153 54.652 54.185 0.467 1 1 115 . 7 1 1 A 11 11 ARG CB C 153 32.449 34.289 -1.840 1 1 116 . 7 1 1 A 11 11 ARG N N 153 122.642 120.580 2.062 1 1 117 . 7 1 1 A 12 12 LEU H H 154 8.675 8.536 0.139 1 1 118 . 7 1 1 A 12 12 LEU HA H 154 4.926 4.784 0.142 1 1 127 . 7 1 1 A 12 12 LEU C C 154 176.282 175.271 1.011 1 1 128 . 7 1 1 A 12 12 LEU CA C 154 53.222 54.613 -1.391 1 1 129 . 7 1 1 A 12 12 LEU CB C 154 42.382 43.995 -1.613 1 1 132 . 7 1 1 A 12 12 LEU N N 154 125.776 124.479 1.297 1 1 133 . 7 1 1 A 13 13 CYS H H 155 9.509 9.200 0.309 1 1 134 . 7 1 1 A 13 13 CYS HA H 155 4.762 5.280 -0.518 1 1 137 . 7 1 1 A 13 13 CYS C C 155 173.211 173.254 -0.043 1 1 138 . 7 1 1 A 13 13 CYS CA C 155 57.646 57.250 0.396 1 1 139 . 7 1 1 A 13 13 CYS CB C 155 28.495 31.000 -2.505 1 1 140 . 7 1 1 A 13 13 CYS N N 155 130.053 125.756 4.297 1 1 141 . 7 1 1 A 14 14 THR H H 156 8.979 9.565 -0.586 1 1 142 . 7 1 1 A 14 14 THR HA H 156 4.927 5.102 -0.175 1 1 147 . 7 1 1 A 14 14 THR C C 156 172.990 173.677 -0.687 1 1 148 . 7 1 1 A 14 14 THR CA C 156 61.216 61.540 -0.324 1 1 149 . 7 1 1 A 14 14 THR CB C 156 69.306 70.927 -1.621 1 1 151 . 7 1 1 A 14 14 THR N N 156 122.811 121.053 1.758 1 1 152 . 7 1 1 A 15 15 MET H H 157 8.889 8.792 0.097 1 1 153 . 7 1 1 A 15 15 MET HA H 157 5.006 5.538 -0.532 1 1 157 . 7 1 1 A 15 15 MET C C 157 176.000 175.071 0.929 1 1 158 . 7 1 1 A 15 15 MET CA C 157 54.167 53.366 0.801 1 1 159 . 7 1 1 A 15 15 MET CB C 157 39.030 35.253 3.777 1 1 160 . 7 1 1 A 15 15 MET N N 157 121.855 123.752 -1.897 1 1 161 . 7 1 1 A 16 16 LYS H H 158 8.614 8.869 -0.255 1 1 162 . 7 1 1 A 16 16 LYS HA H 158 5.262 4.977 0.285 1 1 167 . 7 1 1 A 16 16 LYS C C 158 175.677 176.916 -1.239 1 1 168 . 7 1 1 A 16 16 LYS CA C 158 54.283 54.910 -0.627 1 1 169 . 7 1 1 A 16 16 LYS CB C 158 34.677 34.179 0.498 1 1 172 . 7 1 1 A 16 16 LYS N N 158 122.373 121.244 1.129 1 1 173 . 7 1 1 A 17 17 LYS H H 159 8.519 9.556 -1.037 1 1 174 . 7 1 1 A 17 17 LYS HA H 159 3.208 3.605 -0.397 1 1 179 . 7 1 1 A 17 17 LYS C C 159 176.799 176.298 0.501 1 1 180 . 7 1 1 A 17 17 LYS CA C 159 58.532 59.145 -0.613 1 1 181 . 7 1 1 A 17 17 LYS CB C 159 33.471 32.246 1.225 1 1 184 . 7 1 1 A 17 17 LYS N N 159 123.623 126.053 -2.430 1 1 185 . 7 1 1 A 18 18 GLY H H 160 7.222 7.801 -0.579 1 1 186 . 7 1 1 A 18 18 GLY HA2 H 160 4.578 3.968 0.610 1 1 187 . 7 1 1 A 18 18 GLY HA3 H 160 3.950 3.972 -0.022 1 1 188 . 7 1 1 A 18 18 GLY CA C 160 44.160 44.928 -0.768 1 1 189 . 7 1 1 A 18 18 GLY N N 160 111.304 107.144 4.160 1 1 190 . 7 1 1 A 19 19 PRO HA H 161 4.307 4.481 -0.174 1 1 197 . 7 1 1 A 19 19 PRO C C 161 177.523 176.974 0.549 1 1 198 . 7 1 1 A 19 19 PRO CA C 161 64.766 63.948 0.818 1 1 199 . 7 1 1 A 19 19 PRO CB C 161 31.509 32.549 -1.040 1 1 202 . 7 1 1 A 20 20 SER H H 162 8.462 7.632 0.830 1 1 203 . 7 1 1 A 20 20 SER HA H 162 4.708 4.467 0.241 1 1 206 . 7 1 1 A 20 20 SER C C 162 173.887 174.356 -0.469 1 1 207 . 7 1 1 A 20 20 SER CA C 162 56.541 58.576 -2.035 1 1 208 . 7 1 1 A 20 20 SER CB C 162 63.086 65.392 -2.306 1 1 209 . 7 1 1 A 20 20 SER N N 162 111.594 111.903 -0.309 1 1 210 . 7 1 1 A 21 21 GLY H H 163 7.730 8.128 -0.398 1 1 211 . 7 1 1 A 21 21 GLY HA2 H 163 4.477 3.548 0.929 1 1 212 . 7 1 1 A 21 21 GLY HA3 H 163 3.242 3.741 -0.499 1 1 213 . 7 1 1 A 21 21 GLY CA C 163 43.895 44.887 -0.992 1 1 214 . 7 1 1 A 21 21 GLY N N 163 108.656 109.131 -0.475 1 1 215 . 7 1 1 A 22 22 TYR H H 164 7.210 8.233 -1.023 1 1 216 . 7 1 1 A 22 22 TYR HA H 164 4.366 4.593 -0.227 1 1 223 . 7 1 1 A 22 22 TYR C C 164 176.198 176.373 -0.175 1 1 224 . 7 1 1 A 22 22 TYR CA C 164 60.930 58.233 2.697 1 1 225 . 7 1 1 A 22 22 TYR CB C 164 40.660 39.735 0.925 1 1 226 . 7 1 1 A 23 23 GLY H H 165 8.600 8.356 0.244 1 1 227 . 7 1 1 A 23 23 GLY HA2 H 165 4.511 3.842 0.669 1 1 228 . 7 1 1 A 23 23 GLY HA3 H 165 3.886 3.893 -0.007 1 1 229 . 7 1 1 A 23 23 GLY C C 165 172.930 173.854 -0.924 1 1 230 . 7 1 1 A 23 23 GLY CA C 165 45.013 45.993 -0.980 1 1 231 . 7 1 1 A 23 23 GLY N N 165 103.183 108.510 -5.327 1 1 232 . 7 1 1 A 24 24 PHE H H 166 6.855 7.257 -0.402 1 1 233 . 7 1 1 A 24 24 PHE HA H 166 5.629 5.130 0.499 1 1 241 . 7 1 1 A 24 24 PHE C C 166 172.417 173.729 -1.312 1 1 242 . 7 1 1 A 24 24 PHE CA C 166 54.693 55.493 -0.800 1 1 243 . 7 1 1 A 24 24 PHE CB C 166 42.235 41.766 0.469 1 1 244 . 7 1 1 A 24 24 PHE N N 166 111.547 115.408 -3.861 1 1 245 . 7 1 1 A 25 25 ASN H H 167 8.121 9.495 -1.374 1 1 246 . 7 1 1 A 25 25 ASN HA H 167 5.097 5.689 -0.592 1 1 251 . 7 1 1 A 25 25 ASN C C 167 174.068 174.411 -0.343 1 1 252 . 7 1 1 A 25 25 ASN CA C 167 51.521 52.598 -1.077 1 1 253 . 7 1 1 A 25 25 ASN CB C 167 41.155 42.703 -1.548 1 1 254 . 7 1 1 A 25 25 ASN N N 167 117.619 117.905 -0.286 1 1 256 . 7 1 1 A 26 26 LEU H H 168 9.287 8.887 0.400 1 1 257 . 7 1 1 A 26 26 LEU HA H 168 5.369 5.302 0.067 1 1 266 . 7 1 1 A 26 26 LEU C C 168 176.491 175.506 0.985 1 1 267 . 7 1 1 A 26 26 LEU CA C 168 54.171 53.911 0.260 1 1 268 . 7 1 1 A 26 26 LEU CB C 168 44.783 45.678 -0.895 1 1 272 . 7 1 1 A 26 26 LEU N N 168 123.933 120.876 3.057 1 1 273 . 7 1 1 A 27 27 HIS H H 169 9.466 9.541 -0.075 1 1 274 . 7 1 1 A 27 27 HIS HA H 169 4.922 5.534 -0.612 1 1 276 . 7 1 1 A 27 27 HIS CA C 169 56.019 54.041 1.978 1 1 277 . 7 1 1 A 27 27 HIS CB C 169 33.352 33.545 -0.193 1 1 278 . 7 1 1 A 27 27 HIS N N 169 119.976 119.440 0.536 1 1 279 . 7 1 1 A 28 28 SER HA H 170 4.703 4.807 -0.104 1 1 282 . 7 1 1 A 28 28 SER C C 170 172.451 173.087 -0.636 1 1 283 . 7 1 1 A 28 28 SER CA C 170 57.104 56.014 1.090 1 1 284 . 7 1 1 A 28 28 SER CB C 170 63.937 65.045 -1.108 1 1 285 . 7 1 1 A 29 29 ASP H H 171 9.230 9.077 0.153 1 1 286 . 7 1 1 A 29 29 ASP HA H 171 4.591 4.726 -0.135 1 1 289 . 7 1 1 A 29 29 ASP CA C 171 53.406 55.660 -2.254 1 1 290 . 7 1 1 A 29 29 ASP CB C 171 43.831 42.802 1.029 1 1 291 . 7 1 1 A 29 29 ASP N N 171 123.447 123.706 -0.259 1 1 292 . 7 1 1 A 30 30 LYS HA H 172 4.148 4.606 -0.458 1 1 298 . 7 1 1 A 30 30 LYS C C 172 176.768 176.658 0.110 1 1 299 . 7 1 1 A 30 30 LYS CA C 172 57.755 55.021 2.734 1 1 300 . 7 1 1 A 30 30 LYS CB C 172 31.872 33.672 -1.800 1 1 301 . 7 1 1 A 31 31 SER H H 173 8.803 8.621 0.182 1 1 302 . 7 1 1 A 31 31 SER HA H 173 4.419 4.724 -0.305 1 1 304 . 7 1 1 A 31 31 SER C C 173 173.570 174.640 -1.070 1 1 305 . 7 1 1 A 31 31 SER CA C 173 59.354 57.791 1.563 1 1 306 . 7 1 1 A 31 31 SER CB C 173 64.113 63.872 0.241 1 1 307 . 7 1 1 A 31 31 SER N N 173 115.001 116.532 -1.531 1 1 308 . 7 1 1 A 32 32 LYS H H 174 7.893 7.884 0.009 1 1 309 . 7 1 1 A 32 32 LYS HA H 174 4.804 4.357 0.447 1 1 316 . 7 1 1 A 32 32 LYS CA C 174 53.258 58.923 -5.665 1 1 317 . 7 1 1 A 32 32 LYS CB C 174 33.448 33.252 0.196 1 1 321 . 7 1 1 A 32 32 LYS N N 174 122.863 121.068 1.795 1 1 322 . 7 1 1 A 33 33 PRO HA H 175 4.592 4.331 0.261 1 1 329 . 7 1 1 A 33 33 PRO C C 175 176.188 176.769 -0.581 1 1 330 . 7 1 1 A 33 33 PRO CA C 175 62.823 65.625 -2.802 1 1 331 . 7 1 1 A 33 33 PRO CB C 175 32.076 31.642 0.434 1 1 334 . 7 1 1 A 34 34 GLY H H 176 8.328 7.238 1.090 1 1 335 . 7 1 1 A 34 34 GLY HA2 H 176 4.179 3.954 0.225 1 1 336 . 7 1 1 A 34 34 GLY HA3 H 176 3.713 3.969 -0.256 1 1 337 . 7 1 1 A 34 34 GLY C C 176 172.298 170.795 1.503 1 1 338 . 7 1 1 A 34 34 GLY CA C 176 43.770 44.852 -1.082 1 1 339 . 7 1 1 A 34 34 GLY N N 176 108.419 104.002 4.417 1 1 340 . 7 1 1 A 35 35 GLN H H 177 8.673 8.193 0.480 1 1 341 . 7 1 1 A 35 35 GLN HA H 177 4.761 4.528 0.233 1 1 347 . 7 1 1 A 35 35 GLN C C 177 173.569 174.026 -0.457 1 1 348 . 7 1 1 A 35 35 GLN CA C 177 53.731 54.415 -0.684 1 1 349 . 7 1 1 A 35 35 GLN CB C 177 29.555 31.056 -1.501 1 1 351 . 7 1 1 A 35 35 GLN N N 177 117.933 120.049 -2.116 1 1 353 . 7 1 1 A 36 36 PHE H H 178 8.799 8.260 0.539 1 1 354 . 7 1 1 A 36 36 PHE HA H 178 5.447 4.802 0.645 1 1 361 . 7 1 1 A 36 36 PHE C C 178 175.427 175.413 0.014 1 1 362 . 7 1 1 A 36 36 PHE CA C 178 55.349 56.709 -1.360 1 1 363 . 7 1 1 A 36 36 PHE CB C 178 42.486 43.456 -0.970 1 1 364 . 7 1 1 A 36 36 PHE N N 178 120.404 123.206 -2.802 1 1 365 . 7 1 1 A 37 37 ILE H H 179 9.203 8.686 0.517 1 1 366 . 7 1 1 A 37 37 ILE HA H 179 4.322 4.487 -0.165 1 1 376 . 7 1 1 A 37 37 ILE C C 179 176.207 177.398 -1.191 1 1 377 . 7 1 1 A 37 37 ILE CA C 179 58.611 62.291 -3.680 1 1 378 . 7 1 1 A 37 37 ILE CB C 179 34.911 38.236 -3.325 1 1 380 . 7 1 1 A 37 37 ILE N N 179 120.720 124.055 -3.335 1 1 381 . 7 1 1 A 38 38 ARG H H 180 9.453 9.500 -0.047 1 1 382 . 7 1 1 A 38 38 ARG HA H 180 3.951 4.207 -0.256 1 1 389 . 7 1 1 A 38 38 ARG C C 180 175.332 176.107 -0.775 1 1 390 . 7 1 1 A 38 38 ARG CA C 180 58.035 56.697 1.338 1 1 391 . 7 1 1 A 38 38 ARG CB C 180 30.593 31.410 -0.817 1 1 393 . 7 1 1 A 38 38 ARG N N 180 132.453 124.406 8.047 1 1 394 . 7 1 1 A 39 39 SER H H 181 7.529 7.778 -0.249 1 1 395 . 7 1 1 A 39 39 SER HA H 181 4.553 4.751 -0.198 1 1 397 . 7 1 1 A 39 39 SER C C 181 170.792 172.179 -1.387 1 1 398 . 7 1 1 A 39 39 SER CA C 181 56.629 57.465 -0.836 1 1 399 . 7 1 1 A 39 39 SER CB C 181 64.756 65.340 -0.584 1 1 400 . 7 1 1 A 39 39 SER N N 181 109.145 113.382 -4.237 1 1 401 . 7 1 1 A 40 40 VAL H H 182 8.595 8.674 -0.079 1 1 402 . 7 1 1 A 40 40 VAL HA H 182 4.609 4.809 -0.200 1 1 410 . 7 1 1 A 40 40 VAL C C 182 175.150 174.405 0.745 1 1 411 . 7 1 1 A 40 40 VAL CA C 182 60.603 60.547 0.056 1 1 412 . 7 1 1 A 40 40 VAL CB C 182 34.480 35.276 -0.796 1 1 415 . 7 1 1 A 40 40 VAL N N 182 119.939 123.320 -3.381 1 1 416 . 7 1 1 A 41 41 ASP H H 183 9.410 9.209 0.201 1 1 417 . 7 1 1 A 41 41 ASP HA H 183 4.770 4.789 -0.019 1 1 420 . 7 1 1 A 41 41 ASP CA C 183 52.418 51.456 0.962 1 1 421 . 7 1 1 A 41 41 ASP CB C 183 39.357 41.826 -2.469 1 1 422 . 7 1 1 A 41 41 ASP N N 183 129.870 127.928 1.942 1 1 423 . 7 1 1 A 42 42 PRO HA H 184 4.551 4.350 0.201 1 1 429 . 7 1 1 A 42 42 PRO C C 184 176.520 177.157 -0.637 1 1 430 . 7 1 1 A 42 42 PRO CA C 184 62.915 63.790 -0.875 1 1 431 . 7 1 1 A 42 42 PRO CB C 184 31.844 31.552 0.292 1 1 434 . 7 1 1 A 43 43 ASP H H 185 9.250 8.940 0.310 1 1 435 . 7 1 1 A 43 43 ASP HA H 185 4.356 4.294 0.062 1 1 438 . 7 1 1 A 43 43 ASP C C 185 173.959 174.759 -0.800 1 1 439 . 7 1 1 A 43 43 ASP CA C 185 55.638 55.640 -0.002 1 1 440 . 7 1 1 A 43 43 ASP CB C 185 39.100 40.366 -1.266 1 1 441 . 7 1 1 A 43 43 ASP N N 185 118.710 122.725 -4.015 1 1 442 . 7 1 1 A 44 44 SER H H 186 7.336 7.708 -0.372 1 1 443 . 7 1 1 A 44 44 SER HA H 186 4.953 4.880 0.073 1 1 445 . 7 1 1 A 44 44 SER CA C 186 56.329 56.480 -0.151 1 1 446 . 7 1 1 A 44 44 SER CB C 186 65.440 63.837 1.603 1 1 447 . 7 1 1 A 44 44 SER N N 186 111.769 114.789 -3.020 1 1 448 . 7 1 1 A 45 45 PRO HA H 187 4.522 4.202 0.320 1 1 455 . 7 1 1 A 45 45 PRO C C 187 179.929 178.309 1.620 1 1 456 . 7 1 1 A 45 45 PRO CA C 187 65.133 65.650 -0.517 1 1 457 . 7 1 1 A 45 45 PRO CB C 187 32.682 31.829 0.853 1 1 459 . 7 1 1 A 46 46 ALA H H 188 8.492 8.279 0.213 1 1 460 . 7 1 1 A 46 46 ALA HA H 188 4.378 4.199 0.179 1 1 464 . 7 1 1 A 46 46 ALA C C 188 175.528 180.102 -4.574 1 1 465 . 7 1 1 A 46 46 ALA CA C 188 54.584 55.617 -1.033 1 1 466 . 7 1 1 A 46 46 ALA CB C 188 19.714 18.324 1.390 1 1 467 . 7 1 1 A 46 46 ALA N N 188 118.684 118.862 -0.178 1 1 468 . 7 1 1 A 47 47 GLU H H 189 8.266 8.174 0.092 1 1 469 . 7 1 1 A 47 47 GLU HA H 189 3.881 4.001 -0.120 1 1 472 . 7 1 1 A 47 47 GLU C C 189 173.891 178.290 -4.399 1 1 473 . 7 1 1 A 47 47 GLU CA C 189 59.881 59.388 0.493 1 1 474 . 7 1 1 A 47 47 GLU CB C 189 29.830 29.686 0.144 1 1 475 . 7 1 1 A 47 47 GLU N N 189 122.834 118.461 4.373 1 1 476 . 7 1 1 A 48 48 ALA H H 190 8.378 8.877 -0.499 1 1 477 . 7 1 1 A 48 48 ALA HA H 190 4.228 4.075 0.153 1 1 481 . 7 1 1 A 48 48 ALA C C 190 178.612 179.907 -1.295 1 1 482 . 7 1 1 A 48 48 ALA CA C 190 54.522 54.883 -0.361 1 1 483 . 7 1 1 A 48 48 ALA CB C 190 17.980 18.503 -0.523 1 1 484 . 7 1 1 A 48 48 ALA N N 190 122.847 122.173 0.674 1 1 485 . 7 1 1 A 49 49 SER H H 191 7.949 7.341 0.608 1 1 486 . 7 1 1 A 49 49 SER HA H 191 4.544 4.524 0.020 1 1 489 . 7 1 1 A 49 49 SER C C 191 174.409 174.606 -0.197 1 1 490 . 7 1 1 A 49 49 SER CA C 191 59.717 58.868 0.849 1 1 491 . 7 1 1 A 49 49 SER CB C 191 64.762 63.670 1.092 1 1 492 . 7 1 1 A 49 49 SER N N 191 112.314 110.618 1.696 1 1 493 . 7 1 1 A 50 50 GLY H H 192 7.604 8.116 -0.512 1 1 494 . 7 1 1 A 50 50 GLY HA2 H 192 4.427 4.072 0.355 1 1 495 . 7 1 1 A 50 50 GLY HA3 H 192 3.714 4.079 -0.365 1 1 496 . 7 1 1 A 50 50 GLY C C 192 173.516 174.503 -0.987 1 1 497 . 7 1 1 A 50 50 GLY CA C 192 44.654 45.067 -0.413 1 1 498 . 7 1 1 A 50 50 GLY N N 192 107.849 108.663 -0.814 1 1 499 . 7 1 1 A 51 51 LEU H H 193 7.268 8.027 -0.759 1 1 500 . 7 1 1 A 51 51 LEU HA H 193 3.969 4.563 -0.594 1 1 510 . 7 1 1 A 51 51 LEU C C 193 174.799 175.800 -1.001 1 1 511 . 7 1 1 A 51 51 LEU CA C 193 55.198 54.828 0.370 1 1 512 . 7 1 1 A 51 51 LEU CB C 193 43.724 43.055 0.669 1 1 515 . 7 1 1 A 51 51 LEU N N 193 124.317 123.237 1.080 1 1 516 . 7 1 1 A 52 52 ARG H H 194 8.891 9.035 -0.144 1 1 517 . 7 1 1 A 52 52 ARG HA H 194 4.613 4.945 -0.332 1 1 521 . 7 1 1 A 52 52 ARG C C 194 174.936 175.415 -0.479 1 1 522 . 7 1 1 A 52 52 ARG CA C 194 54.127 53.973 0.154 1 1 523 . 7 1 1 A 52 52 ARG CB C 194 34.156 34.007 0.149 1 1 524 . 7 1 1 A 52 52 ARG N N 194 124.468 125.096 -0.628 1 1 525 . 7 1 1 A 53 53 ALA H H 195 8.677 8.517 0.160 1 1 526 . 7 1 1 A 53 53 ALA HA H 195 3.682 4.042 -0.360 1 1 530 . 7 1 1 A 53 53 ALA C C 195 178.524 178.147 0.377 1 1 531 . 7 1 1 A 53 53 ALA CA C 195 53.523 52.630 0.893 1 1 532 . 7 1 1 A 53 53 ALA CB C 195 17.963 19.230 -1.267 1 1 533 . 7 1 1 A 53 53 ALA N N 195 122.213 127.125 -4.912 1 1 534 . 7 1 1 A 54 54 GLN H H 196 9.490 9.112 0.378 1 1 535 . 7 1 1 A 54 54 GLN HA H 196 4.032 4.154 -0.122 1 1 541 . 7 1 1 A 54 54 GLN C C 196 174.503 174.469 0.034 1 1 542 . 7 1 1 A 54 54 GLN CA C 196 58.036 57.731 0.305 1 1 543 . 7 1 1 A 54 54 GLN CB C 196 26.208 27.025 -0.817 1 1 544 . 7 1 1 A 54 54 GLN N N 196 115.882 115.858 0.024 1 1 546 . 7 1 1 A 55 55 ASP H H 197 7.798 7.686 0.112 1 1 547 . 7 1 1 A 55 55 ASP HA H 197 4.757 5.038 -0.281 1 1 550 . 7 1 1 A 55 55 ASP C C 197 174.629 175.806 -1.177 1 1 551 . 7 1 1 A 55 55 ASP CA C 197 55.315 54.252 1.063 1 1 552 . 7 1 1 A 55 55 ASP CB C 197 41.416 41.807 -0.391 1 1 553 . 7 1 1 A 55 55 ASP N N 197 121.039 119.028 2.011 1 1 554 . 7 1 1 A 56 56 ARG H H 198 8.938 8.451 0.487 1 1 555 . 7 1 1 A 56 56 ARG HA H 198 4.430 4.829 -0.399 1 1 557 . 7 1 1 A 56 56 ARG C C 198 174.400 175.442 -1.042 1 1 558 . 7 1 1 A 56 56 ARG CA C 198 54.273 55.869 -1.596 1 1 559 . 7 1 1 A 56 56 ARG CB C 198 32.499 30.789 1.710 1 1 560 . 7 1 1 A 56 56 ARG N N 198 122.032 122.436 -0.404 1 1 561 . 7 1 1 A 57 57 ILE H H 199 8.179 8.518 -0.339 1 1 562 . 7 1 1 A 57 57 ILE HA H 199 3.746 4.099 -0.353 1 1 572 . 7 1 1 A 57 57 ILE C C 199 174.272 175.807 -1.535 1 1 573 . 7 1 1 A 57 57 ILE CA C 199 62.349 62.111 0.238 1 1 574 . 7 1 1 A 57 57 ILE CB C 199 38.071 37.682 0.389 1 1 578 . 7 1 1 A 57 57 ILE N N 199 124.246 126.153 -1.907 1 1 579 . 7 1 1 A 58 58 VAL H H 200 9.389 9.735 -0.346 1 1 580 . 7 1 1 A 58 58 VAL HA H 200 4.107 4.107 0.000 1 1 588 . 7 1 1 A 58 58 VAL C C 200 176.755 176.224 0.531 1 1 589 . 7 1 1 A 58 58 VAL CA C 200 63.067 63.712 -0.645 1 1 590 . 7 1 1 A 58 58 VAL CB C 200 32.894 32.830 0.064 1 1 592 . 7 1 1 A 58 58 VAL N N 200 127.780 127.647 0.133 1 1 593 . 7 1 1 A 59 59 GLU H H 201 7.850 7.464 0.386 1 1 594 . 7 1 1 A 59 59 GLU HA H 201 5.126 4.942 0.184 1 1 598 . 7 1 1 A 59 59 GLU C C 201 175.123 173.808 1.315 1 1 599 . 7 1 1 A 59 59 GLU CA C 201 54.610 54.974 -0.364 1 1 600 . 7 1 1 A 59 59 GLU CB C 201 34.407 32.618 1.789 1 1 602 . 7 1 1 A 59 59 GLU N N 201 116.847 115.859 0.988 1 1 603 . 7 1 1 A 60 60 VAL H H 202 8.110 8.344 -0.234 1 1 604 . 7 1 1 A 60 60 VAL HA H 202 4.433 4.353 0.080 1 1 612 . 7 1 1 A 60 60 VAL C C 202 175.772 176.157 -0.385 1 1 613 . 7 1 1 A 60 60 VAL CA C 202 60.952 61.498 -0.546 1 1 614 . 7 1 1 A 60 60 VAL CB C 202 33.802 34.194 -0.392 1 1 616 . 7 1 1 A 60 60 VAL N N 202 118.751 119.019 -0.268 1 1 617 . 7 1 1 A 61 61 ASN H H 203 9.900 9.961 -0.061 1 1 618 . 7 1 1 A 61 61 ASN HA H 203 4.312 4.394 -0.082 1 1 621 . 7 1 1 A 61 61 ASN C C 203 174.718 174.453 0.265 1 1 622 . 7 1 1 A 61 61 ASN CA C 203 54.260 54.112 0.148 1 1 623 . 7 1 1 A 61 61 ASN CB C 203 36.965 37.450 -0.485 1 1 624 . 7 1 1 A 61 61 ASN N N 203 128.765 125.681 3.084 1 1 625 . 7 1 1 A 62 62 GLY H H 204 9.192 8.270 0.922 1 1 626 . 7 1 1 A 62 62 GLY HA2 H 204 3.979 3.923 0.056 1 1 627 . 7 1 1 A 62 62 GLY HA3 H 204 3.734 3.925 -0.191 1 1 628 . 7 1 1 A 62 62 GLY C C 204 173.240 174.511 -1.271 1 1 629 . 7 1 1 A 62 62 GLY CA C 204 44.996 45.097 -0.101 1 1 630 . 7 1 1 A 62 62 GLY N N 204 103.295 104.616 -1.321 1 1 631 . 7 1 1 A 63 63 VAL H H 205 7.792 7.395 0.397 1 1 632 . 7 1 1 A 63 63 VAL HA H 205 4.085 4.134 -0.049 1 1 637 . 7 1 1 A 63 63 VAL C C 205 174.605 174.649 -0.044 1 1 638 . 7 1 1 A 63 63 VAL CA C 205 61.373 61.299 0.074 1 1 639 . 7 1 1 A 63 63 VAL CB C 205 32.623 31.330 1.293 1 1 642 . 7 1 1 A 63 63 VAL N N 205 122.193 119.351 2.842 1 1 643 . 7 1 1 A 64 64 CYS H H 206 8.878 8.491 0.387 1 1 644 . 7 1 1 A 64 64 CYS HA H 206 4.265 4.698 -0.433 1 1 647 . 7 1 1 A 64 64 CYS C C 206 176.086 173.952 2.134 1 1 648 . 7 1 1 A 64 64 CYS CA C 206 61.148 58.091 3.057 1 1 649 . 7 1 1 A 64 64 CYS CB C 206 27.938 27.744 0.194 1 1 650 . 7 1 1 A 64 64 CYS N N 206 128.575 127.776 0.799 1 1 651 . 7 1 1 A 65 65 MET H H 207 8.413 8.587 -0.174 1 1 652 . 7 1 1 A 65 65 MET HA H 207 4.877 5.123 -0.246 1 1 654 . 7 1 1 A 65 65 MET CA C 207 52.697 54.403 -1.706 1 1 655 . 7 1 1 A 65 65 MET CB C 207 33.908 34.835 -0.927 1 1 656 . 7 1 1 A 65 65 MET N N 207 125.926 126.976 -1.050 1 1 657 . 7 1 1 A 66 66 GLU H H 208 8.768 8.730 0.038 1 1 658 . 7 1 1 A 66 66 GLU HA H 208 4.187 4.026 0.161 1 1 662 . 7 1 1 A 66 66 GLU C C 208 177.644 176.963 0.681 1 1 663 . 7 1 1 A 66 66 GLU CA C 208 58.586 58.166 0.420 1 1 664 . 7 1 1 A 66 66 GLU CB C 208 28.916 29.353 -0.437 1 1 665 . 7 1 1 A 67 67 GLY H H 209 9.144 8.897 0.247 1 1 666 . 7 1 1 A 67 67 GLY HA2 H 209 4.156 3.975 0.181 1 1 667 . 7 1 1 A 67 67 GLY HA3 H 209 3.746 3.985 -0.239 1 1 668 . 7 1 1 A 67 67 GLY C C 209 173.880 174.785 -0.905 1 1 669 . 7 1 1 A 67 67 GLY CA C 209 45.339 45.024 0.315 1 1 670 . 7 1 1 A 67 67 GLY N N 209 114.503 114.657 -0.154 1 1 671 . 7 1 1 A 68 68 LYS H H 210 7.585 7.158 0.427 1 1 672 . 7 1 1 A 68 68 LYS HA H 210 4.550 4.196 0.354 1 1 675 . 7 1 1 A 68 68 LYS C C 210 176.239 175.758 0.481 1 1 676 . 7 1 1 A 68 68 LYS CA C 210 54.802 56.727 -1.925 1 1 677 . 7 1 1 A 68 68 LYS CB C 210 32.493 33.551 -1.058 1 1 679 . 7 1 1 A 68 68 LYS N N 210 119.299 120.337 -1.038 1 1 680 . 7 1 1 A 69 69 GLN H H 211 9.176 8.796 0.380 1 1 681 . 7 1 1 A 69 69 GLN HA H 211 4.534 4.417 0.117 1 1 688 . 7 1 1 A 69 69 GLN C C 211 176.499 177.303 -0.804 1 1 689 . 7 1 1 A 69 69 GLN CA C 211 54.286 55.312 -1.026 1 1 690 . 7 1 1 A 69 69 GLN CB C 211 30.414 29.468 0.946 1 1 692 . 7 1 1 A 69 69 GLN N N 211 119.518 121.764 -2.246 1 1 694 . 7 1 1 A 70 70 HIS H H 212 9.097 8.987 0.110 1 1 695 . 7 1 1 A 70 70 HIS HA H 212 3.866 4.057 -0.191 1 1 698 . 7 1 1 A 70 70 HIS C C 212 176.987 177.078 -0.091 1 1 699 . 7 1 1 A 70 70 HIS CA C 212 61.326 59.570 1.756 1 1 700 . 7 1 1 A 70 70 HIS CB C 212 30.480 30.366 0.114 1 1 701 . 7 1 1 A 70 70 HIS N N 212 122.474 123.001 -0.527 1 1 702 . 7 1 1 A 71 71 GLY H H 213 9.138 8.575 0.563 1 1 703 . 7 1 1 A 71 71 GLY HA2 H 213 3.930 3.549 0.381 1 1 704 . 7 1 1 A 71 71 GLY HA3 H 213 3.693 3.656 0.037 1 1 705 . 7 1 1 A 71 71 GLY C C 213 176.374 176.017 0.357 1 1 706 . 7 1 1 A 71 71 GLY CA C 213 46.837 46.965 -0.128 1 1 707 . 7 1 1 A 71 71 GLY N N 213 103.821 106.333 -2.512 1 1 708 . 7 1 1 A 72 72 ASP H H 214 7.344 7.784 -0.440 1 1 709 . 7 1 1 A 72 72 ASP HA H 214 4.499 4.313 0.186 1 1 712 . 7 1 1 A 72 72 ASP C C 214 178.391 178.814 -0.423 1 1 713 . 7 1 1 A 72 72 ASP CA C 214 56.650 56.602 0.048 1 1 714 . 7 1 1 A 72 72 ASP CB C 214 41.284 40.847 0.437 1 1 715 . 7 1 1 A 72 72 ASP N N 214 120.357 122.284 -1.927 1 1 716 . 7 1 1 A 73 73 VAL H H 215 7.697 8.550 -0.853 1 1 717 . 7 1 1 A 73 73 VAL HA H 215 3.804 3.573 0.231 1 1 725 . 7 1 1 A 73 73 VAL C C 215 177.258 178.518 -1.260 1 1 726 . 7 1 1 A 73 73 VAL CA C 215 65.957 66.277 -0.320 1 1 727 . 7 1 1 A 73 73 VAL CB C 215 31.411 31.499 -0.088 1 1 730 . 7 1 1 A 73 73 VAL N N 215 123.318 120.189 3.129 1 1 731 . 7 1 1 A 74 74 VAL H H 216 8.144 8.762 -0.618 1 1 732 . 7 1 1 A 74 74 VAL HA H 216 3.474 3.508 -0.034 1 1 740 . 7 1 1 A 74 74 VAL C C 216 178.839 178.097 0.742 1 1 741 . 7 1 1 A 74 74 VAL CA C 216 66.866 66.238 0.628 1 1 742 . 7 1 1 A 74 74 VAL CB C 216 31.496 31.277 0.219 1 1 745 . 7 1 1 A 74 74 VAL N N 216 118.785 121.263 -2.478 1 1 746 . 7 1 1 A 75 75 SER H H 217 8.153 8.189 -0.036 1 1 747 . 7 1 1 A 75 75 SER HA H 217 4.131 4.101 0.030 1 1 750 . 7 1 1 A 75 75 SER C C 217 176.246 176.386 -0.140 1 1 751 . 7 1 1 A 75 75 SER CA C 217 62.198 61.967 0.231 1 1 752 . 7 1 1 A 75 75 SER CB C 217 65.986 62.961 3.025 1 1 753 . 7 1 1 A 75 75 SER N N 217 115.428 115.790 -0.362 1 1 754 . 7 1 1 A 76 76 ALA H H 218 7.873 8.045 -0.172 1 1 755 . 7 1 1 A 76 76 ALA HA H 218 4.220 4.073 0.147 1 1 759 . 7 1 1 A 76 76 ALA C C 218 180.251 179.856 0.395 1 1 760 . 7 1 1 A 76 76 ALA CA C 218 54.649 55.237 -0.588 1 1 761 . 7 1 1 A 76 76 ALA CB C 218 17.519 18.162 -0.643 1 1 762 . 7 1 1 A 76 76 ALA N N 218 125.449 122.925 2.524 1 1 763 . 7 1 1 A 77 77 ILE H H 219 8.357 7.648 0.709 1 1 764 . 7 1 1 A 77 77 ILE HA H 219 3.511 3.535 -0.024 1 1 774 . 7 1 1 A 77 77 ILE C C 219 181.394 178.049 3.345 1 1 775 . 7 1 1 A 77 77 ILE CA C 219 65.003 65.228 -0.225 1 1 776 . 7 1 1 A 77 77 ILE CB C 219 38.374 37.408 0.966 1 1 779 . 7 1 1 A 77 77 ILE N N 219 119.293 118.096 1.197 1 1 780 . 7 1 1 A 78 78 ARG H H 220 8.817 7.765 1.052 1 1 781 . 7 1 1 A 78 78 ARG HA H 220 4.162 4.019 0.143 1 1 786 . 7 1 1 A 78 78 ARG C C 220 178.163 178.106 0.057 1 1 787 . 7 1 1 A 78 78 ARG CA C 220 59.499 59.636 -0.137 1 1 788 . 7 1 1 A 78 78 ARG CB C 220 30.018 30.093 -0.075 1 1 790 . 7 1 1 A 78 78 ARG N N 220 124.633 122.895 1.738 1 1 791 . 7 1 1 A 79 79 ALA H H 221 8.207 8.031 0.176 1 1 792 . 7 1 1 A 79 79 ALA HA H 221 4.223 4.234 -0.011 1 1 796 . 7 1 1 A 79 79 ALA C C 221 178.343 178.678 -0.335 1 1 797 . 7 1 1 A 79 79 ALA CA C 221 54.107 52.740 1.367 1 1 798 . 7 1 1 A 79 79 ALA CB C 221 18.055 18.638 -0.583 1 1 799 . 7 1 1 A 79 79 ALA N N 221 120.984 120.595 0.389 1 1 800 . 7 1 1 A 80 80 GLY H H 222 7.239 7.799 -0.560 1 1 801 . 7 1 1 A 80 80 GLY HA2 H 222 4.287 3.956 0.331 1 1 802 . 7 1 1 A 80 80 GLY C C 222 174.203 174.605 -0.402 1 1 803 . 7 1 1 A 80 80 GLY CA C 222 44.921 45.264 -0.343 1 1 804 . 7 1 1 A 80 80 GLY N N 222 102.308 107.703 -5.395 1 1 805 . 7 1 1 A 81 81 GLY H H 223 7.873 8.184 -0.311 1 1 806 . 7 1 1 A 81 81 GLY HA2 H 223 4.229 3.870 0.359 1 1 807 . 7 1 1 A 81 81 GLY HA3 H 223 3.735 3.872 -0.137 1 1 808 . 7 1 1 A 81 81 GLY C C 223 174.031 175.018 -0.987 1 1 809 . 7 1 1 A 81 81 GLY CA C 223 46.465 46.806 -0.341 1 1 810 . 7 1 1 A 81 81 GLY N N 223 107.624 107.256 0.368 1 1 811 . 7 1 1 A 82 82 ASP H H 224 9.157 8.753 0.404 1 1 812 . 7 1 1 A 82 82 ASP HA H 224 4.625 4.619 0.006 1 1 815 . 7 1 1 A 82 82 ASP C C 224 173.254 175.843 -2.589 1 1 816 . 7 1 1 A 82 82 ASP CA C 224 54.408 55.083 -0.675 1 1 817 . 7 1 1 A 82 82 ASP CB C 224 40.829 41.628 -0.799 1 1 818 . 7 1 1 A 82 82 ASP N N 224 128.466 126.381 2.085 1 1 819 . 7 1 1 A 83 83 GLU H H 225 7.479 7.672 -0.193 1 1 820 . 7 1 1 A 83 83 GLU HA H 225 5.454 4.841 0.613 1 1 825 . 7 1 1 A 83 83 GLU C C 225 175.120 175.228 -0.108 1 1 826 . 7 1 1 A 83 83 GLU CA C 225 54.723 55.319 -0.596 1 1 827 . 7 1 1 A 83 83 GLU CB C 225 33.927 31.621 2.306 1 1 829 . 7 1 1 A 83 83 GLU N N 225 118.419 120.174 -1.755 1 1 830 . 7 1 1 A 84 84 THR H H 226 8.759 9.342 -0.583 1 1 831 . 7 1 1 A 84 84 THR HA H 226 4.680 4.806 -0.126 1 1 836 . 7 1 1 A 84 84 THR C C 226 170.497 173.749 -3.252 1 1 837 . 7 1 1 A 84 84 THR CA C 226 62.538 61.861 0.677 1 1 838 . 7 1 1 A 84 84 THR CB C 226 70.389 68.947 1.442 1 1 840 . 7 1 1 A 84 84 THR N N 226 116.177 122.139 -5.962 1 1 841 . 7 1 1 A 85 85 LYS H H 227 7.829 8.863 -1.034 1 1 842 . 7 1 1 A 85 85 LYS HA H 227 5.085 4.603 0.482 1 1 847 . 7 1 1 A 85 85 LYS C C 227 174.884 175.233 -0.349 1 1 848 . 7 1 1 A 85 85 LYS CA C 227 54.338 56.139 -1.801 1 1 849 . 7 1 1 A 85 85 LYS CB C 227 34.154 32.331 1.823 1 1 853 . 7 1 1 A 85 85 LYS N N 227 125.540 127.135 -1.595 1 1 854 . 7 1 1 A 86 86 LEU H H 228 8.977 8.897 0.080 1 1 855 . 7 1 1 A 86 86 LEU HA H 228 5.049 5.069 -0.020 1 1 864 . 7 1 1 A 86 86 LEU C C 228 174.337 175.093 -0.756 1 1 865 . 7 1 1 A 86 86 LEU CA C 228 52.201 53.506 -1.305 1 1 866 . 7 1 1 A 86 86 LEU CB C 228 44.238 43.523 0.715 1 1 867 . 7 1 1 A 86 86 LEU N N 228 125.294 126.701 -1.407 1 1 868 . 7 1 1 A 87 87 LEU H H 229 8.619 8.545 0.074 1 1 869 . 7 1 1 A 87 87 LEU HA H 229 5.244 5.137 0.107 1 1 875 . 7 1 1 A 87 87 LEU C C 229 175.951 175.734 0.217 1 1 876 . 7 1 1 A 87 87 LEU CA C 229 53.857 53.542 0.315 1 1 877 . 7 1 1 A 87 87 LEU CB C 229 43.711 44.256 -0.545 1 1 878 . 7 1 1 A 87 87 LEU N N 229 128.223 127.706 0.517 1 1 879 . 7 1 1 A 88 88 VAL H H 230 9.291 8.884 0.407 1 1 880 . 7 1 1 A 88 88 VAL HA H 230 5.627 5.426 0.201 1 1 888 . 7 1 1 A 88 88 VAL C C 230 174.077 174.699 -0.622 1 1 889 . 7 1 1 A 88 88 VAL CA C 230 58.217 59.749 -1.532 1 1 890 . 7 1 1 A 88 88 VAL CB C 230 36.697 35.623 1.074 1 1 893 . 7 1 1 A 88 88 VAL N N 230 120.780 121.436 -0.656 1 1 894 . 7 1 1 A 89 89 VAL H H 231 8.241 8.559 -0.318 1 1 895 . 7 1 1 A 89 89 VAL HA H 231 4.814 4.817 -0.003 1 1 903 . 7 1 1 A 89 89 VAL C C 231 174.661 173.678 0.983 1 1 904 . 7 1 1 A 89 89 VAL CA C 231 58.524 60.270 -1.746 1 1 905 . 7 1 1 A 89 89 VAL CB C 231 35.588 35.206 0.382 1 1 908 . 7 1 1 A 89 89 VAL N N 231 110.935 121.126 -10.191 1 1 909 . 7 1 1 A 90 90 ASP H H 232 7.841 8.665 -0.824 1 1 910 . 7 1 1 A 90 90 ASP HA H 232 4.883 4.724 0.159 1 1 913 . 7 1 1 A 90 90 ASP C C 232 175.406 176.790 -1.384 1 1 914 . 7 1 1 A 90 90 ASP CA C 232 52.420 53.090 -0.670 1 1 915 . 7 1 1 A 90 90 ASP CB C 232 41.621 40.883 0.738 1 1 916 . 7 1 1 A 90 90 ASP N N 232 122.442 125.011 -2.569 1 1 917 . 7 1 1 A 91 91 ARG H H 233 8.780 8.887 -0.107 1 1 918 . 7 1 1 A 91 91 ARG HA H 233 4.228 4.409 -0.181 1 1 921 . 7 1 1 A 91 91 ARG C C 233 177.865 178.499 -0.634 1 1 922 . 7 1 1 A 91 91 ARG CA C 233 58.821 57.967 0.854 1 1 923 . 7 1 1 A 91 91 ARG CB C 233 29.977 30.403 -0.426 1 1 925 . 7 1 1 A 91 91 ARG N N 233 120.292 126.795 -6.503 1 1 926 . 7 1 1 A 92 92 GLU H H 234 8.663 7.762 0.901 1 1 927 . 7 1 1 A 92 92 GLU HA H 234 4.071 4.069 0.002 1 1 932 . 7 1 1 A 92 92 GLU C C 234 178.395 179.139 -0.744 1 1 933 . 7 1 1 A 92 92 GLU CA C 234 59.115 59.047 0.068 1 1 934 . 7 1 1 A 92 92 GLU CB C 234 29.131 29.426 -0.295 1 1 936 . 7 1 1 A 92 92 GLU N N 234 119.448 119.450 -0.002 1 1 937 . 7 1 1 A 93 93 THR H H 235 8.255 8.343 -0.088 1 1 938 . 7 1 1 A 93 93 THR HA H 235 3.975 4.179 -0.204 1 1 943 . 7 1 1 A 93 93 THR C C 235 175.146 176.095 -0.949 1 1 944 . 7 1 1 A 93 93 THR CA C 235 65.516 66.185 -0.669 1 1 945 . 7 1 1 A 93 93 THR CB C 235 68.363 68.364 -0.001 1 1 947 . 7 1 1 A 93 93 THR N N 235 117.260 116.436 0.824 1 1 948 . 7 1 1 A 94 94 ASP H H 236 8.302 8.354 -0.052 1 1 949 . 7 1 1 A 94 94 ASP HA H 236 4.557 4.359 0.198 1 1 952 . 7 1 1 A 94 94 ASP C C 236 177.739 177.532 0.207 1 1 953 . 7 1 1 A 94 94 ASP CA C 236 55.460 57.957 -2.497 1 1 954 . 7 1 1 A 94 94 ASP CB C 236 41.093 41.615 -0.522 1 1 955 . 7 1 1 A 94 94 ASP N N 236 122.075 121.555 0.520 1 1 956 . 7 1 1 A 95 95 GLU H H 237 8.084 7.970 0.114 1 1 957 . 7 1 1 A 95 95 GLU HA H 237 4.032 4.519 -0.487 1 1 961 . 7 1 1 A 95 95 GLU C C 237 176.899 178.513 -1.614 1 1 962 . 7 1 1 A 95 95 GLU CA C 237 57.612 58.425 -0.813 1 1 963 . 7 1 1 A 95 95 GLU CB C 237 29.393 31.135 -1.742 1 1 965 . 7 1 1 A 95 95 GLU N N 237 117.733 117.274 0.459 1 1 966 . 7 1 1 A 96 96 PHE H H 238 7.927 8.739 -0.812 1 1 967 . 7 1 1 A 96 96 PHE HA H 238 4.363 4.218 0.145 1 1 974 . 7 1 1 A 96 96 PHE C C 238 175.655 177.267 -1.612 1 1 975 . 7 1 1 A 96 96 PHE CA C 238 59.139 61.972 -2.833 1 1 976 . 7 1 1 A 96 96 PHE CB C 238 39.723 39.638 0.085 1 1 977 . 7 1 1 A 96 96 PHE N N 238 119.312 121.639 -2.327 1 1 978 . 7 1 1 A 97 97 PHE H H 239 7.896 8.522 -0.626 1 1 979 . 7 1 1 A 97 97 PHE HA H 239 4.506 3.952 0.554 1 1 986 . 7 1 1 A 97 97 PHE C C 239 174.173 177.435 -3.262 1 1 987 . 7 1 1 A 97 97 PHE CA C 239 58.034 61.452 -3.418 1 1 988 . 7 1 1 A 97 97 PHE CB C 239 39.447 39.154 0.293 1 1 989 . 7 1 1 A 97 97 PHE N N 239 119.260 120.016 -0.756 1 1 1 . 8 1 1 A 2 2 ILE HA H 144 4.171 4.866 -0.695 1 1 11 . 8 1 1 A 2 2 ILE C C 144 175.446 174.047 1.399 1 1 12 . 8 1 1 A 2 2 ILE CA C 144 60.547 59.219 1.328 1 1 13 . 8 1 1 A 2 2 ILE CB C 144 38.500 41.161 -2.661 1 1 17 . 8 1 1 A 3 3 ASP H H 145 8.584 8.561 0.023 1 1 18 . 8 1 1 A 3 3 ASP HA H 145 4.879 4.618 0.261 1 1 21 . 8 1 1 A 3 3 ASP CA C 145 51.583 52.279 -0.696 1 1 22 . 8 1 1 A 3 3 ASP CB C 145 41.044 41.829 -0.785 1 1 23 . 8 1 1 A 3 3 ASP N N 145 127.098 128.625 -1.527 1 1 24 . 8 1 1 A 4 4 PRO HA H 146 4.290 4.332 -0.042 1 1 31 . 8 1 1 A 4 4 PRO C C 146 176.840 178.424 -1.584 1 1 32 . 8 1 1 A 4 4 PRO CA C 146 63.386 65.938 -2.552 1 1 33 . 8 1 1 A 4 4 PRO CB C 146 31.799 31.516 0.283 1 1 36 . 8 1 1 A 5 5 PHE H H 147 8.323 8.072 0.251 1 1 37 . 8 1 1 A 5 5 PHE HA H 147 4.550 4.378 0.172 1 1 44 . 8 1 1 A 5 5 PHE C C 147 176.081 175.376 0.705 1 1 45 . 8 1 1 A 5 5 PHE CA C 147 58.224 60.326 -2.102 1 1 46 . 8 1 1 A 5 5 PHE CB C 147 38.571 40.835 -2.264 1 1 47 . 8 1 1 A 5 5 PHE N N 147 118.510 118.091 0.419 1 1 48 . 8 1 1 A 6 6 THR H H 148 7.769 7.838 -0.069 1 1 49 . 8 1 1 A 6 6 THR HA H 148 4.195 4.711 -0.516 1 1 54 . 8 1 1 A 6 6 THR C C 148 173.870 173.033 0.837 1 1 55 . 8 1 1 A 6 6 THR CA C 148 62.114 61.478 0.636 1 1 56 . 8 1 1 A 6 6 THR CB C 148 69.325 71.068 -1.743 1 1 58 . 8 1 1 A 6 6 THR N N 148 114.321 107.279 7.042 1 1 59 . 8 1 1 A 7 7 MET H H 149 8.101 8.915 -0.814 1 1 60 . 8 1 1 A 7 7 MET HA H 149 4.438 4.687 -0.249 1 1 65 . 8 1 1 A 7 7 MET C C 149 175.544 176.335 -0.791 1 1 66 . 8 1 1 A 7 7 MET CA C 149 55.218 56.449 -1.231 1 1 67 . 8 1 1 A 7 7 MET CB C 149 32.224 34.595 -2.371 1 1 69 . 8 1 1 A 7 7 MET N N 149 121.779 121.083 0.696 1 1 70 . 8 1 1 A 8 8 LEU H H 150 8.110 8.027 0.083 1 1 71 . 8 1 1 A 8 8 LEU HA H 150 4.467 4.563 -0.096 1 1 81 . 8 1 1 A 8 8 LEU C C 150 175.439 175.986 -0.547 1 1 82 . 8 1 1 A 8 8 LEU CA C 150 54.333 54.060 0.273 1 1 83 . 8 1 1 A 8 8 LEU CB C 150 40.631 44.086 -3.455 1 1 86 . 8 1 1 A 8 8 LEU N N 150 123.383 118.098 5.285 1 1 87 . 8 1 1 A 9 9 ARG H H 151 7.900 7.454 0.446 1 1 88 . 8 1 1 A 9 9 ARG HA H 151 4.769 4.431 0.338 1 1 93 . 8 1 1 A 9 9 ARG CA C 151 52.792 55.462 -2.670 1 1 94 . 8 1 1 A 9 9 ARG CB C 151 30.717 30.501 0.216 1 1 96 . 8 1 1 A 9 9 ARG N N 151 119.907 118.277 1.630 1 1 97 . 8 1 1 A 10 10 PRO HA H 152 4.546 4.651 -0.105 1 1 104 . 8 1 1 A 10 10 PRO C C 152 175.520 175.332 0.188 1 1 105 . 8 1 1 A 10 10 PRO CA C 152 62.580 62.265 0.315 1 1 106 . 8 1 1 A 10 10 PRO CB C 152 31.507 32.978 -1.471 1 1 109 . 8 1 1 A 11 11 ARG H H 153 8.987 9.108 -0.121 1 1 110 . 8 1 1 A 11 11 ARG HA H 153 4.462 4.911 -0.449 1 1 113 . 8 1 1 A 11 11 ARG C C 153 173.260 174.033 -0.773 1 1 114 . 8 1 1 A 11 11 ARG CA C 153 54.652 54.305 0.347 1 1 115 . 8 1 1 A 11 11 ARG CB C 153 32.449 34.493 -2.044 1 1 116 . 8 1 1 A 11 11 ARG N N 153 122.642 120.305 2.337 1 1 117 . 8 1 1 A 12 12 LEU H H 154 8.675 8.864 -0.189 1 1 118 . 8 1 1 A 12 12 LEU HA H 154 4.926 4.946 -0.020 1 1 127 . 8 1 1 A 12 12 LEU C C 154 176.282 174.999 1.283 1 1 128 . 8 1 1 A 12 12 LEU CA C 154 53.222 53.796 -0.574 1 1 129 . 8 1 1 A 12 12 LEU CB C 154 42.382 44.219 -1.837 1 1 132 . 8 1 1 A 12 12 LEU N N 154 125.776 124.847 0.929 1 1 133 . 8 1 1 A 13 13 CYS H H 155 9.509 9.348 0.161 1 1 134 . 8 1 1 A 13 13 CYS HA H 155 4.762 5.260 -0.498 1 1 137 . 8 1 1 A 13 13 CYS C C 155 173.211 173.222 -0.011 1 1 138 . 8 1 1 A 13 13 CYS CA C 155 57.646 57.208 0.438 1 1 139 . 8 1 1 A 13 13 CYS CB C 155 28.495 30.887 -2.392 1 1 140 . 8 1 1 A 13 13 CYS N N 155 130.053 125.847 4.206 1 1 141 . 8 1 1 A 14 14 THR H H 156 8.979 9.489 -0.510 1 1 142 . 8 1 1 A 14 14 THR HA H 156 4.927 5.021 -0.094 1 1 147 . 8 1 1 A 14 14 THR C C 156 172.990 173.624 -0.634 1 1 148 . 8 1 1 A 14 14 THR CA C 156 61.216 61.566 -0.350 1 1 149 . 8 1 1 A 14 14 THR CB C 156 69.306 70.814 -1.508 1 1 151 . 8 1 1 A 14 14 THR N N 156 122.811 121.038 1.773 1 1 152 . 8 1 1 A 15 15 MET H H 157 8.889 8.812 0.077 1 1 153 . 8 1 1 A 15 15 MET HA H 157 5.006 5.496 -0.490 1 1 157 . 8 1 1 A 15 15 MET C C 157 176.000 174.653 1.347 1 1 158 . 8 1 1 A 15 15 MET CA C 157 54.167 53.304 0.863 1 1 159 . 8 1 1 A 15 15 MET CB C 157 39.030 35.184 3.846 1 1 160 . 8 1 1 A 15 15 MET N N 157 121.855 123.967 -2.112 1 1 161 . 8 1 1 A 16 16 LYS H H 158 8.614 8.939 -0.325 1 1 162 . 8 1 1 A 16 16 LYS HA H 158 5.262 4.902 0.360 1 1 167 . 8 1 1 A 16 16 LYS C C 158 175.677 177.261 -1.584 1 1 168 . 8 1 1 A 16 16 LYS CA C 158 54.283 55.324 -1.041 1 1 169 . 8 1 1 A 16 16 LYS CB C 158 34.677 33.505 1.172 1 1 172 . 8 1 1 A 16 16 LYS N N 158 122.373 121.854 0.519 1 1 173 . 8 1 1 A 17 17 LYS H H 159 8.519 9.284 -0.765 1 1 174 . 8 1 1 A 17 17 LYS HA H 159 3.208 4.294 -1.086 1 1 179 . 8 1 1 A 17 17 LYS C C 159 176.799 176.450 0.349 1 1 180 . 8 1 1 A 17 17 LYS CA C 159 58.532 59.556 -1.024 1 1 181 . 8 1 1 A 17 17 LYS CB C 159 33.471 32.473 0.998 1 1 184 . 8 1 1 A 17 17 LYS N N 159 123.623 126.987 -3.364 1 1 185 . 8 1 1 A 18 18 GLY H H 160 7.222 7.835 -0.613 1 1 186 . 8 1 1 A 18 18 GLY HA2 H 160 4.578 4.018 0.560 1 1 187 . 8 1 1 A 18 18 GLY HA3 H 160 3.950 4.020 -0.070 1 1 188 . 8 1 1 A 18 18 GLY CA C 160 44.160 44.984 -0.824 1 1 189 . 8 1 1 A 18 18 GLY N N 160 111.304 107.249 4.055 1 1 190 . 8 1 1 A 19 19 PRO HA H 161 4.307 4.508 -0.201 1 1 197 . 8 1 1 A 19 19 PRO C C 161 177.523 177.004 0.519 1 1 198 . 8 1 1 A 19 19 PRO CA C 161 64.766 64.066 0.700 1 1 199 . 8 1 1 A 19 19 PRO CB C 161 31.509 32.568 -1.059 1 1 202 . 8 1 1 A 20 20 SER H H 162 8.462 7.254 1.208 1 1 203 . 8 1 1 A 20 20 SER HA H 162 4.708 4.438 0.270 1 1 206 . 8 1 1 A 20 20 SER C C 162 173.887 174.229 -0.342 1 1 207 . 8 1 1 A 20 20 SER CA C 162 56.541 58.794 -2.253 1 1 208 . 8 1 1 A 20 20 SER CB C 162 63.086 64.916 -1.830 1 1 209 . 8 1 1 A 20 20 SER N N 162 111.594 112.414 -0.820 1 1 210 . 8 1 1 A 21 21 GLY H H 163 7.730 7.813 -0.083 1 1 211 . 8 1 1 A 21 21 GLY HA2 H 163 4.477 3.710 0.767 1 1 212 . 8 1 1 A 21 21 GLY HA3 H 163 3.242 3.777 -0.535 1 1 213 . 8 1 1 A 21 21 GLY CA C 163 43.895 46.173 -2.278 1 1 214 . 8 1 1 A 21 21 GLY N N 163 108.656 109.774 -1.118 1 1 215 . 8 1 1 A 22 22 TYR H H 164 7.210 8.278 -1.068 1 1 216 . 8 1 1 A 22 22 TYR HA H 164 4.366 4.646 -0.280 1 1 223 . 8 1 1 A 22 22 TYR C C 164 176.198 176.495 -0.297 1 1 224 . 8 1 1 A 22 22 TYR CA C 164 60.930 59.311 1.619 1 1 225 . 8 1 1 A 22 22 TYR CB C 164 40.660 39.781 0.879 1 1 226 . 8 1 1 A 23 23 GLY H H 165 8.600 8.180 0.420 1 1 227 . 8 1 1 A 23 23 GLY HA2 H 165 4.511 3.965 0.546 1 1 228 . 8 1 1 A 23 23 GLY HA3 H 165 3.886 4.042 -0.156 1 1 229 . 8 1 1 A 23 23 GLY C C 165 172.930 173.732 -0.802 1 1 230 . 8 1 1 A 23 23 GLY CA C 165 45.013 45.377 -0.364 1 1 231 . 8 1 1 A 23 23 GLY N N 165 103.183 107.896 -4.713 1 1 232 . 8 1 1 A 24 24 PHE H H 166 6.855 7.528 -0.673 1 1 233 . 8 1 1 A 24 24 PHE HA H 166 5.629 5.213 0.416 1 1 241 . 8 1 1 A 24 24 PHE C C 166 172.417 173.394 -0.977 1 1 242 . 8 1 1 A 24 24 PHE CA C 166 54.693 55.488 -0.795 1 1 243 . 8 1 1 A 24 24 PHE CB C 166 42.235 41.873 0.362 1 1 244 . 8 1 1 A 24 24 PHE N N 166 111.547 115.733 -4.186 1 1 245 . 8 1 1 A 25 25 ASN H H 167 8.121 9.878 -1.757 1 1 246 . 8 1 1 A 25 25 ASN HA H 167 5.097 5.570 -0.473 1 1 251 . 8 1 1 A 25 25 ASN C C 167 174.068 174.439 -0.371 1 1 252 . 8 1 1 A 25 25 ASN CA C 167 51.521 52.126 -0.605 1 1 253 . 8 1 1 A 25 25 ASN CB C 167 41.155 42.214 -1.059 1 1 254 . 8 1 1 A 25 25 ASN N N 167 117.619 117.670 -0.051 1 1 256 . 8 1 1 A 26 26 LEU H H 168 9.287 8.804 0.483 1 1 257 . 8 1 1 A 26 26 LEU HA H 168 5.369 5.302 0.067 1 1 266 . 8 1 1 A 26 26 LEU C C 168 176.491 175.604 0.887 1 1 267 . 8 1 1 A 26 26 LEU CA C 168 54.171 53.908 0.263 1 1 268 . 8 1 1 A 26 26 LEU CB C 168 44.783 46.011 -1.228 1 1 272 . 8 1 1 A 26 26 LEU N N 168 123.933 120.725 3.208 1 1 273 . 8 1 1 A 27 27 HIS H H 169 9.466 9.093 0.373 1 1 274 . 8 1 1 A 27 27 HIS HA H 169 4.922 5.834 -0.912 1 1 276 . 8 1 1 A 27 27 HIS CA C 169 56.019 53.720 2.299 1 1 277 . 8 1 1 A 27 27 HIS CB C 169 33.352 33.907 -0.555 1 1 278 . 8 1 1 A 27 27 HIS N N 169 119.976 119.282 0.694 1 1 279 . 8 1 1 A 28 28 SER HA H 170 4.703 4.958 -0.255 1 1 282 . 8 1 1 A 28 28 SER C C 170 172.451 173.329 -0.878 1 1 283 . 8 1 1 A 28 28 SER CA C 170 57.104 56.438 0.666 1 1 284 . 8 1 1 A 28 28 SER CB C 170 63.937 64.948 -1.011 1 1 285 . 8 1 1 A 29 29 ASP H H 171 9.230 8.980 0.250 1 1 286 . 8 1 1 A 29 29 ASP HA H 171 4.591 4.787 -0.196 1 1 289 . 8 1 1 A 29 29 ASP CA C 171 53.406 55.588 -2.182 1 1 290 . 8 1 1 A 29 29 ASP CB C 171 43.831 42.707 1.124 1 1 291 . 8 1 1 A 29 29 ASP N N 171 123.447 124.581 -1.134 1 1 292 . 8 1 1 A 30 30 LYS HA H 172 4.148 4.596 -0.448 1 1 298 . 8 1 1 A 30 30 LYS C C 172 176.768 176.661 0.107 1 1 299 . 8 1 1 A 30 30 LYS CA C 172 57.755 55.100 2.655 1 1 300 . 8 1 1 A 30 30 LYS CB C 172 31.872 33.581 -1.709 1 1 301 . 8 1 1 A 31 31 SER H H 173 8.803 8.807 -0.004 1 1 302 . 8 1 1 A 31 31 SER HA H 173 4.419 4.753 -0.334 1 1 304 . 8 1 1 A 31 31 SER C C 173 173.570 174.631 -1.061 1 1 305 . 8 1 1 A 31 31 SER CA C 173 59.354 58.138 1.216 1 1 306 . 8 1 1 A 31 31 SER CB C 173 64.113 63.597 0.516 1 1 307 . 8 1 1 A 31 31 SER N N 173 115.001 118.005 -3.004 1 1 308 . 8 1 1 A 32 32 LYS H H 174 7.893 7.819 0.074 1 1 309 . 8 1 1 A 32 32 LYS HA H 174 4.804 4.382 0.422 1 1 316 . 8 1 1 A 32 32 LYS CA C 174 53.258 58.215 -4.957 1 1 317 . 8 1 1 A 32 32 LYS CB C 174 33.448 33.569 -0.121 1 1 321 . 8 1 1 A 32 32 LYS N N 174 122.863 120.034 2.829 1 1 322 . 8 1 1 A 33 33 PRO HA H 175 4.592 4.323 0.269 1 1 329 . 8 1 1 A 33 33 PRO C C 175 176.188 177.013 -0.825 1 1 330 . 8 1 1 A 33 33 PRO CA C 175 62.823 65.689 -2.866 1 1 331 . 8 1 1 A 33 33 PRO CB C 175 32.076 31.647 0.429 1 1 334 . 8 1 1 A 34 34 GLY H H 176 8.328 7.289 1.039 1 1 335 . 8 1 1 A 34 34 GLY HA2 H 176 4.179 4.055 0.124 1 1 336 . 8 1 1 A 34 34 GLY HA3 H 176 3.713 4.125 -0.412 1 1 337 . 8 1 1 A 34 34 GLY C C 176 172.298 170.964 1.334 1 1 338 . 8 1 1 A 34 34 GLY CA C 176 43.770 44.973 -1.203 1 1 339 . 8 1 1 A 34 34 GLY N N 176 108.419 103.037 5.382 1 1 340 . 8 1 1 A 35 35 GLN H H 177 8.673 8.382 0.291 1 1 341 . 8 1 1 A 35 35 GLN HA H 177 4.761 4.650 0.111 1 1 347 . 8 1 1 A 35 35 GLN C C 177 173.569 174.508 -0.939 1 1 348 . 8 1 1 A 35 35 GLN CA C 177 53.731 54.551 -0.820 1 1 349 . 8 1 1 A 35 35 GLN CB C 177 29.555 31.303 -1.748 1 1 351 . 8 1 1 A 35 35 GLN N N 177 117.933 120.198 -2.265 1 1 353 . 8 1 1 A 36 36 PHE H H 178 8.799 8.389 0.410 1 1 354 . 8 1 1 A 36 36 PHE HA H 178 5.447 4.923 0.524 1 1 361 . 8 1 1 A 36 36 PHE C C 178 175.427 175.301 0.126 1 1 362 . 8 1 1 A 36 36 PHE CA C 178 55.349 56.984 -1.635 1 1 363 . 8 1 1 A 36 36 PHE CB C 178 42.486 43.302 -0.816 1 1 364 . 8 1 1 A 36 36 PHE N N 178 120.404 123.869 -3.465 1 1 365 . 8 1 1 A 37 37 ILE H H 179 9.203 8.841 0.362 1 1 366 . 8 1 1 A 37 37 ILE HA H 179 4.322 4.436 -0.114 1 1 376 . 8 1 1 A 37 37 ILE C C 179 176.207 176.744 -0.537 1 1 377 . 8 1 1 A 37 37 ILE CA C 179 58.611 60.918 -2.307 1 1 378 . 8 1 1 A 37 37 ILE CB C 179 34.911 38.255 -3.344 1 1 380 . 8 1 1 A 37 37 ILE N N 179 120.720 123.303 -2.583 1 1 381 . 8 1 1 A 38 38 ARG H H 180 9.453 9.179 0.274 1 1 382 . 8 1 1 A 38 38 ARG HA H 180 3.951 4.860 -0.909 1 1 389 . 8 1 1 A 38 38 ARG C C 180 175.332 176.385 -1.053 1 1 390 . 8 1 1 A 38 38 ARG CA C 180 58.035 56.937 1.098 1 1 391 . 8 1 1 A 38 38 ARG CB C 180 30.593 31.836 -1.243 1 1 393 . 8 1 1 A 38 38 ARG N N 180 132.453 123.771 8.682 1 1 394 . 8 1 1 A 39 39 SER H H 181 7.529 7.842 -0.313 1 1 395 . 8 1 1 A 39 39 SER HA H 181 4.553 4.847 -0.294 1 1 397 . 8 1 1 A 39 39 SER C C 181 170.792 172.270 -1.478 1 1 398 . 8 1 1 A 39 39 SER CA C 181 56.629 57.387 -0.758 1 1 399 . 8 1 1 A 39 39 SER CB C 181 64.756 65.764 -1.008 1 1 400 . 8 1 1 A 39 39 SER N N 181 109.145 113.593 -4.448 1 1 401 . 8 1 1 A 40 40 VAL H H 182 8.595 8.729 -0.134 1 1 402 . 8 1 1 A 40 40 VAL HA H 182 4.609 4.900 -0.291 1 1 410 . 8 1 1 A 40 40 VAL C C 182 175.150 173.729 1.421 1 1 411 . 8 1 1 A 40 40 VAL CA C 182 60.603 60.517 0.086 1 1 412 . 8 1 1 A 40 40 VAL CB C 182 34.480 35.511 -1.031 1 1 415 . 8 1 1 A 40 40 VAL N N 182 119.939 123.333 -3.394 1 1 416 . 8 1 1 A 41 41 ASP H H 183 9.410 9.247 0.163 1 1 417 . 8 1 1 A 41 41 ASP HA H 183 4.770 5.113 -0.343 1 1 420 . 8 1 1 A 41 41 ASP CA C 183 52.418 50.877 1.541 1 1 421 . 8 1 1 A 41 41 ASP CB C 183 39.357 42.632 -3.275 1 1 422 . 8 1 1 A 41 41 ASP N N 183 129.870 127.566 2.304 1 1 423 . 8 1 1 A 42 42 PRO HA H 184 4.551 4.362 0.189 1 1 429 . 8 1 1 A 42 42 PRO C C 184 176.520 177.167 -0.647 1 1 430 . 8 1 1 A 42 42 PRO CA C 184 62.915 63.787 -0.872 1 1 431 . 8 1 1 A 42 42 PRO CB C 184 31.844 31.721 0.123 1 1 434 . 8 1 1 A 43 43 ASP H H 185 9.250 8.956 0.294 1 1 435 . 8 1 1 A 43 43 ASP HA H 185 4.356 4.347 0.009 1 1 438 . 8 1 1 A 43 43 ASP C C 185 173.959 174.790 -0.831 1 1 439 . 8 1 1 A 43 43 ASP CA C 185 55.638 55.620 0.018 1 1 440 . 8 1 1 A 43 43 ASP CB C 185 39.100 40.420 -1.320 1 1 441 . 8 1 1 A 43 43 ASP N N 185 118.710 122.477 -3.767 1 1 442 . 8 1 1 A 44 44 SER H H 186 7.336 7.649 -0.313 1 1 443 . 8 1 1 A 44 44 SER HA H 186 4.953 4.791 0.162 1 1 445 . 8 1 1 A 44 44 SER CA C 186 56.329 56.893 -0.564 1 1 446 . 8 1 1 A 44 44 SER CB C 186 65.440 63.824 1.616 1 1 447 . 8 1 1 A 44 44 SER N N 186 111.769 114.986 -3.217 1 1 448 . 8 1 1 A 45 45 PRO HA H 187 4.522 4.267 0.255 1 1 455 . 8 1 1 A 45 45 PRO C C 187 179.929 178.128 1.801 1 1 456 . 8 1 1 A 45 45 PRO CA C 187 65.133 65.804 -0.671 1 1 457 . 8 1 1 A 45 45 PRO CB C 187 32.682 31.829 0.853 1 1 459 . 8 1 1 A 46 46 ALA H H 188 8.492 8.000 0.492 1 1 460 . 8 1 1 A 46 46 ALA HA H 188 4.378 4.100 0.278 1 1 464 . 8 1 1 A 46 46 ALA C C 188 175.528 180.071 -4.543 1 1 465 . 8 1 1 A 46 46 ALA CA C 188 54.584 55.564 -0.980 1 1 466 . 8 1 1 A 46 46 ALA CB C 188 19.714 18.215 1.499 1 1 467 . 8 1 1 A 46 46 ALA N N 188 118.684 118.921 -0.237 1 1 468 . 8 1 1 A 47 47 GLU H H 189 8.266 8.110 0.156 1 1 469 . 8 1 1 A 47 47 GLU HA H 189 3.881 3.968 -0.087 1 1 472 . 8 1 1 A 47 47 GLU C C 189 173.891 178.206 -4.315 1 1 473 . 8 1 1 A 47 47 GLU CA C 189 59.881 59.312 0.569 1 1 474 . 8 1 1 A 47 47 GLU CB C 189 29.830 29.721 0.109 1 1 475 . 8 1 1 A 47 47 GLU N N 189 122.834 118.374 4.460 1 1 476 . 8 1 1 A 48 48 ALA H H 190 8.378 8.588 -0.210 1 1 477 . 8 1 1 A 48 48 ALA HA H 190 4.228 4.081 0.147 1 1 481 . 8 1 1 A 48 48 ALA C C 190 178.612 179.910 -1.298 1 1 482 . 8 1 1 A 48 48 ALA CA C 190 54.522 54.993 -0.471 1 1 483 . 8 1 1 A 48 48 ALA CB C 190 17.980 18.460 -0.480 1 1 484 . 8 1 1 A 48 48 ALA N N 190 122.847 122.141 0.706 1 1 485 . 8 1 1 A 49 49 SER H H 191 7.949 7.307 0.642 1 1 486 . 8 1 1 A 49 49 SER HA H 191 4.544 4.480 0.064 1 1 489 . 8 1 1 A 49 49 SER C C 191 174.409 174.554 -0.145 1 1 490 . 8 1 1 A 49 49 SER CA C 191 59.717 58.980 0.737 1 1 491 . 8 1 1 A 49 49 SER CB C 191 64.762 63.740 1.022 1 1 492 . 8 1 1 A 49 49 SER N N 191 112.314 110.472 1.842 1 1 493 . 8 1 1 A 50 50 GLY H H 192 7.604 8.024 -0.420 1 1 494 . 8 1 1 A 50 50 GLY HA2 H 192 4.427 4.025 0.402 1 1 495 . 8 1 1 A 50 50 GLY HA3 H 192 3.714 4.030 -0.316 1 1 496 . 8 1 1 A 50 50 GLY C C 192 173.516 174.459 -0.943 1 1 497 . 8 1 1 A 50 50 GLY CA C 192 44.654 45.135 -0.481 1 1 498 . 8 1 1 A 50 50 GLY N N 192 107.849 108.668 -0.819 1 1 499 . 8 1 1 A 51 51 LEU H H 193 7.268 7.858 -0.590 1 1 500 . 8 1 1 A 51 51 LEU HA H 193 3.969 4.467 -0.498 1 1 510 . 8 1 1 A 51 51 LEU C C 193 174.799 175.739 -0.940 1 1 511 . 8 1 1 A 51 51 LEU CA C 193 55.198 54.795 0.403 1 1 512 . 8 1 1 A 51 51 LEU CB C 193 43.724 42.841 0.883 1 1 515 . 8 1 1 A 51 51 LEU N N 193 124.317 123.232 1.085 1 1 516 . 8 1 1 A 52 52 ARG H H 194 8.891 8.886 0.005 1 1 517 . 8 1 1 A 52 52 ARG HA H 194 4.613 5.008 -0.395 1 1 521 . 8 1 1 A 52 52 ARG C C 194 174.936 175.599 -0.663 1 1 522 . 8 1 1 A 52 52 ARG CA C 194 54.127 53.803 0.324 1 1 523 . 8 1 1 A 52 52 ARG CB C 194 34.156 33.666 0.490 1 1 524 . 8 1 1 A 52 52 ARG N N 194 124.468 125.047 -0.579 1 1 525 . 8 1 1 A 53 53 ALA H H 195 8.677 8.563 0.114 1 1 526 . 8 1 1 A 53 53 ALA HA H 195 3.682 4.060 -0.378 1 1 530 . 8 1 1 A 53 53 ALA C C 195 178.524 178.164 0.360 1 1 531 . 8 1 1 A 53 53 ALA CA C 195 53.523 52.652 0.871 1 1 532 . 8 1 1 A 53 53 ALA CB C 195 17.963 19.440 -1.477 1 1 533 . 8 1 1 A 53 53 ALA N N 195 122.213 127.287 -5.074 1 1 534 . 8 1 1 A 54 54 GLN H H 196 9.490 9.110 0.380 1 1 535 . 8 1 1 A 54 54 GLN HA H 196 4.032 4.277 -0.245 1 1 541 . 8 1 1 A 54 54 GLN C C 196 174.503 174.781 -0.278 1 1 542 . 8 1 1 A 54 54 GLN CA C 196 58.036 57.941 0.095 1 1 543 . 8 1 1 A 54 54 GLN CB C 196 26.208 26.887 -0.679 1 1 544 . 8 1 1 A 54 54 GLN N N 196 115.882 115.805 0.077 1 1 546 . 8 1 1 A 55 55 ASP H H 197 7.798 7.755 0.043 1 1 547 . 8 1 1 A 55 55 ASP HA H 197 4.757 4.853 -0.096 1 1 550 . 8 1 1 A 55 55 ASP C C 197 174.629 175.760 -1.131 1 1 551 . 8 1 1 A 55 55 ASP CA C 197 55.315 54.794 0.521 1 1 552 . 8 1 1 A 55 55 ASP CB C 197 41.416 41.594 -0.178 1 1 553 . 8 1 1 A 55 55 ASP N N 197 121.039 120.490 0.549 1 1 554 . 8 1 1 A 56 56 ARG H H 198 8.938 8.517 0.421 1 1 555 . 8 1 1 A 56 56 ARG HA H 198 4.430 4.750 -0.320 1 1 557 . 8 1 1 A 56 56 ARG C C 198 174.400 175.583 -1.183 1 1 558 . 8 1 1 A 56 56 ARG CA C 198 54.273 55.837 -1.564 1 1 559 . 8 1 1 A 56 56 ARG CB C 198 32.499 30.845 1.654 1 1 560 . 8 1 1 A 56 56 ARG N N 198 122.032 122.401 -0.369 1 1 561 . 8 1 1 A 57 57 ILE H H 199 8.179 9.255 -1.076 1 1 562 . 8 1 1 A 57 57 ILE HA H 199 3.746 4.113 -0.367 1 1 572 . 8 1 1 A 57 57 ILE C C 199 174.272 175.866 -1.594 1 1 573 . 8 1 1 A 57 57 ILE CA C 199 62.349 62.207 0.142 1 1 574 . 8 1 1 A 57 57 ILE CB C 199 38.071 37.853 0.218 1 1 578 . 8 1 1 A 57 57 ILE N N 199 124.246 126.525 -2.279 1 1 579 . 8 1 1 A 58 58 VAL H H 200 9.389 9.499 -0.110 1 1 580 . 8 1 1 A 58 58 VAL HA H 200 4.107 4.179 -0.072 1 1 588 . 8 1 1 A 58 58 VAL C C 200 176.755 176.232 0.523 1 1 589 . 8 1 1 A 58 58 VAL CA C 200 63.067 63.619 -0.552 1 1 590 . 8 1 1 A 58 58 VAL CB C 200 32.894 33.124 -0.230 1 1 592 . 8 1 1 A 58 58 VAL N N 200 127.780 127.091 0.689 1 1 593 . 8 1 1 A 59 59 GLU H H 201 7.850 7.543 0.307 1 1 594 . 8 1 1 A 59 59 GLU HA H 201 5.126 5.020 0.106 1 1 598 . 8 1 1 A 59 59 GLU C C 201 175.123 173.838 1.285 1 1 599 . 8 1 1 A 59 59 GLU CA C 201 54.610 55.007 -0.397 1 1 600 . 8 1 1 A 59 59 GLU CB C 201 34.407 32.637 1.770 1 1 602 . 8 1 1 A 59 59 GLU N N 201 116.847 116.017 0.830 1 1 603 . 8 1 1 A 60 60 VAL H H 202 8.110 8.356 -0.246 1 1 604 . 8 1 1 A 60 60 VAL HA H 202 4.433 4.396 0.037 1 1 612 . 8 1 1 A 60 60 VAL C C 202 175.772 176.169 -0.397 1 1 613 . 8 1 1 A 60 60 VAL CA C 202 60.952 61.477 -0.525 1 1 614 . 8 1 1 A 60 60 VAL CB C 202 33.802 34.179 -0.377 1 1 616 . 8 1 1 A 60 60 VAL N N 202 118.751 119.422 -0.671 1 1 617 . 8 1 1 A 61 61 ASN H H 203 9.900 9.974 -0.074 1 1 618 . 8 1 1 A 61 61 ASN HA H 203 4.312 4.392 -0.080 1 1 621 . 8 1 1 A 61 61 ASN C C 203 174.718 174.444 0.274 1 1 622 . 8 1 1 A 61 61 ASN CA C 203 54.260 54.114 0.146 1 1 623 . 8 1 1 A 61 61 ASN CB C 203 36.965 37.466 -0.501 1 1 624 . 8 1 1 A 61 61 ASN N N 203 128.765 125.708 3.057 1 1 625 . 8 1 1 A 62 62 GLY H H 204 9.192 8.271 0.921 1 1 626 . 8 1 1 A 62 62 GLY HA2 H 204 3.979 3.926 0.053 1 1 627 . 8 1 1 A 62 62 GLY HA3 H 204 3.734 3.927 -0.193 1 1 628 . 8 1 1 A 62 62 GLY C C 204 173.240 174.519 -1.279 1 1 629 . 8 1 1 A 62 62 GLY CA C 204 44.996 45.095 -0.099 1 1 630 . 8 1 1 A 62 62 GLY N N 204 103.295 104.599 -1.304 1 1 631 . 8 1 1 A 63 63 VAL H H 205 7.792 7.411 0.381 1 1 632 . 8 1 1 A 63 63 VAL HA H 205 4.085 4.142 -0.057 1 1 637 . 8 1 1 A 63 63 VAL C C 205 174.605 174.665 -0.060 1 1 638 . 8 1 1 A 63 63 VAL CA C 205 61.373 61.445 -0.072 1 1 639 . 8 1 1 A 63 63 VAL CB C 205 32.623 31.261 1.362 1 1 642 . 8 1 1 A 63 63 VAL N N 205 122.193 119.342 2.851 1 1 643 . 8 1 1 A 64 64 CYS H H 206 8.878 8.583 0.295 1 1 644 . 8 1 1 A 64 64 CYS HA H 206 4.265 4.735 -0.470 1 1 647 . 8 1 1 A 64 64 CYS C C 206 176.086 173.964 2.122 1 1 648 . 8 1 1 A 64 64 CYS CA C 206 61.148 57.932 3.216 1 1 649 . 8 1 1 A 64 64 CYS CB C 206 27.938 28.102 -0.164 1 1 650 . 8 1 1 A 64 64 CYS N N 206 128.575 127.782 0.793 1 1 651 . 8 1 1 A 65 65 MET H H 207 8.413 8.594 -0.181 1 1 652 . 8 1 1 A 65 65 MET HA H 207 4.877 5.107 -0.230 1 1 654 . 8 1 1 A 65 65 MET CA C 207 52.697 54.427 -1.730 1 1 655 . 8 1 1 A 65 65 MET CB C 207 33.908 34.787 -0.879 1 1 656 . 8 1 1 A 65 65 MET N N 207 125.926 126.991 -1.065 1 1 657 . 8 1 1 A 66 66 GLU H H 208 8.768 8.742 0.026 1 1 658 . 8 1 1 A 66 66 GLU HA H 208 4.187 4.078 0.109 1 1 662 . 8 1 1 A 66 66 GLU C C 208 177.644 176.975 0.669 1 1 663 . 8 1 1 A 66 66 GLU CA C 208 58.586 57.858 0.728 1 1 664 . 8 1 1 A 66 66 GLU CB C 208 28.916 29.449 -0.533 1 1 665 . 8 1 1 A 67 67 GLY H H 209 9.144 8.898 0.246 1 1 666 . 8 1 1 A 67 67 GLY HA2 H 209 4.156 4.005 0.151 1 1 667 . 8 1 1 A 67 67 GLY HA3 H 209 3.746 4.009 -0.263 1 1 668 . 8 1 1 A 67 67 GLY C C 209 173.880 174.907 -1.027 1 1 669 . 8 1 1 A 67 67 GLY CA C 209 45.339 45.153 0.186 1 1 670 . 8 1 1 A 67 67 GLY N N 209 114.503 114.714 -0.211 1 1 671 . 8 1 1 A 68 68 LYS H H 210 7.585 7.187 0.398 1 1 672 . 8 1 1 A 68 68 LYS HA H 210 4.550 4.217 0.333 1 1 675 . 8 1 1 A 68 68 LYS C C 210 176.239 175.844 0.395 1 1 676 . 8 1 1 A 68 68 LYS CA C 210 54.802 56.740 -1.938 1 1 677 . 8 1 1 A 68 68 LYS CB C 210 32.493 33.773 -1.280 1 1 679 . 8 1 1 A 68 68 LYS N N 210 119.299 120.388 -1.089 1 1 680 . 8 1 1 A 69 69 GLN H H 211 9.176 8.881 0.295 1 1 681 . 8 1 1 A 69 69 GLN HA H 211 4.534 4.486 0.048 1 1 688 . 8 1 1 A 69 69 GLN C C 211 176.499 177.290 -0.791 1 1 689 . 8 1 1 A 69 69 GLN CA C 211 54.286 54.841 -0.555 1 1 690 . 8 1 1 A 69 69 GLN CB C 211 30.414 29.638 0.776 1 1 692 . 8 1 1 A 69 69 GLN N N 211 119.518 120.928 -1.410 1 1 694 . 8 1 1 A 70 70 HIS H H 212 9.097 9.103 -0.006 1 1 695 . 8 1 1 A 70 70 HIS HA H 212 3.866 4.069 -0.203 1 1 698 . 8 1 1 A 70 70 HIS C C 212 176.987 177.084 -0.097 1 1 699 . 8 1 1 A 70 70 HIS CA C 212 61.326 59.589 1.737 1 1 700 . 8 1 1 A 70 70 HIS CB C 212 30.480 30.339 0.141 1 1 701 . 8 1 1 A 70 70 HIS N N 212 122.474 123.046 -0.572 1 1 702 . 8 1 1 A 71 71 GLY H H 213 9.138 8.662 0.476 1 1 703 . 8 1 1 A 71 71 GLY HA2 H 213 3.930 3.755 0.175 1 1 704 . 8 1 1 A 71 71 GLY HA3 H 213 3.693 3.792 -0.099 1 1 705 . 8 1 1 A 71 71 GLY C C 213 176.374 176.095 0.279 1 1 706 . 8 1 1 A 71 71 GLY CA C 213 46.837 47.109 -0.272 1 1 707 . 8 1 1 A 71 71 GLY N N 213 103.821 106.664 -2.843 1 1 708 . 8 1 1 A 72 72 ASP H H 214 7.344 7.821 -0.477 1 1 709 . 8 1 1 A 72 72 ASP HA H 214 4.499 4.336 0.163 1 1 712 . 8 1 1 A 72 72 ASP C C 214 178.391 178.769 -0.378 1 1 713 . 8 1 1 A 72 72 ASP CA C 214 56.650 56.659 -0.009 1 1 714 . 8 1 1 A 72 72 ASP CB C 214 41.284 41.106 0.178 1 1 715 . 8 1 1 A 72 72 ASP N N 214 120.357 122.460 -2.103 1 1 716 . 8 1 1 A 73 73 VAL H H 215 7.697 8.263 -0.566 1 1 717 . 8 1 1 A 73 73 VAL HA H 215 3.804 3.591 0.213 1 1 725 . 8 1 1 A 73 73 VAL C C 215 177.258 178.374 -1.116 1 1 726 . 8 1 1 A 73 73 VAL CA C 215 65.957 66.118 -0.161 1 1 727 . 8 1 1 A 73 73 VAL CB C 215 31.411 31.516 -0.105 1 1 730 . 8 1 1 A 73 73 VAL N N 215 123.318 120.311 3.007 1 1 731 . 8 1 1 A 74 74 VAL H H 216 8.144 8.410 -0.266 1 1 732 . 8 1 1 A 74 74 VAL HA H 216 3.474 3.459 0.015 1 1 740 . 8 1 1 A 74 74 VAL C C 216 178.839 178.360 0.479 1 1 741 . 8 1 1 A 74 74 VAL CA C 216 66.866 66.175 0.691 1 1 742 . 8 1 1 A 74 74 VAL CB C 216 31.496 31.352 0.144 1 1 745 . 8 1 1 A 74 74 VAL N N 216 118.785 121.216 -2.431 1 1 746 . 8 1 1 A 75 75 SER H H 217 8.153 8.439 -0.286 1 1 747 . 8 1 1 A 75 75 SER HA H 217 4.131 4.176 -0.045 1 1 750 . 8 1 1 A 75 75 SER C C 217 176.246 176.236 0.010 1 1 751 . 8 1 1 A 75 75 SER CA C 217 62.198 61.791 0.407 1 1 752 . 8 1 1 A 75 75 SER CB C 217 65.986 63.132 2.854 1 1 753 . 8 1 1 A 75 75 SER N N 217 115.428 115.828 -0.400 1 1 754 . 8 1 1 A 76 76 ALA H H 218 7.873 8.223 -0.350 1 1 755 . 8 1 1 A 76 76 ALA HA H 218 4.220 4.122 0.098 1 1 759 . 8 1 1 A 76 76 ALA C C 218 180.251 179.850 0.401 1 1 760 . 8 1 1 A 76 76 ALA CA C 218 54.649 55.145 -0.496 1 1 761 . 8 1 1 A 76 76 ALA CB C 218 17.519 18.201 -0.682 1 1 762 . 8 1 1 A 76 76 ALA N N 218 125.449 123.023 2.426 1 1 763 . 8 1 1 A 77 77 ILE H H 219 8.357 7.652 0.705 1 1 764 . 8 1 1 A 77 77 ILE HA H 219 3.511 3.502 0.009 1 1 774 . 8 1 1 A 77 77 ILE C C 219 181.394 178.057 3.337 1 1 775 . 8 1 1 A 77 77 ILE CA C 219 65.003 65.176 -0.173 1 1 776 . 8 1 1 A 77 77 ILE CB C 219 38.374 37.368 1.006 1 1 779 . 8 1 1 A 77 77 ILE N N 219 119.293 117.691 1.602 1 1 780 . 8 1 1 A 78 78 ARG H H 220 8.817 7.733 1.084 1 1 781 . 8 1 1 A 78 78 ARG HA H 220 4.162 4.056 0.106 1 1 786 . 8 1 1 A 78 78 ARG C C 220 178.163 178.124 0.039 1 1 787 . 8 1 1 A 78 78 ARG CA C 220 59.499 59.615 -0.116 1 1 788 . 8 1 1 A 78 78 ARG CB C 220 30.018 30.085 -0.067 1 1 790 . 8 1 1 A 78 78 ARG N N 220 124.633 122.693 1.940 1 1 791 . 8 1 1 A 79 79 ALA H H 221 8.207 8.093 0.114 1 1 792 . 8 1 1 A 79 79 ALA HA H 221 4.223 4.223 0.000 1 1 796 . 8 1 1 A 79 79 ALA C C 221 178.343 178.558 -0.215 1 1 797 . 8 1 1 A 79 79 ALA CA C 221 54.107 52.735 1.372 1 1 798 . 8 1 1 A 79 79 ALA CB C 221 18.055 18.582 -0.527 1 1 799 . 8 1 1 A 79 79 ALA N N 221 120.984 120.487 0.497 1 1 800 . 8 1 1 A 80 80 GLY H H 222 7.239 7.735 -0.496 1 1 801 . 8 1 1 A 80 80 GLY HA2 H 222 4.287 3.945 0.342 1 1 802 . 8 1 1 A 80 80 GLY C C 222 174.203 174.499 -0.296 1 1 803 . 8 1 1 A 80 80 GLY CA C 222 44.921 45.229 -0.308 1 1 804 . 8 1 1 A 80 80 GLY N N 222 102.308 107.487 -5.179 1 1 805 . 8 1 1 A 81 81 GLY H H 223 7.873 8.189 -0.316 1 1 806 . 8 1 1 A 81 81 GLY HA2 H 223 4.229 3.827 0.402 1 1 807 . 8 1 1 A 81 81 GLY HA3 H 223 3.735 3.831 -0.096 1 1 808 . 8 1 1 A 81 81 GLY C C 223 174.031 174.797 -0.766 1 1 809 . 8 1 1 A 81 81 GLY CA C 223 46.465 47.206 -0.741 1 1 810 . 8 1 1 A 81 81 GLY N N 223 107.624 107.394 0.230 1 1 811 . 8 1 1 A 82 82 ASP H H 224 9.157 8.756 0.401 1 1 812 . 8 1 1 A 82 82 ASP HA H 224 4.625 4.680 -0.055 1 1 815 . 8 1 1 A 82 82 ASP C C 224 173.254 175.845 -2.591 1 1 816 . 8 1 1 A 82 82 ASP CA C 224 54.408 54.548 -0.140 1 1 817 . 8 1 1 A 82 82 ASP CB C 224 40.829 41.879 -1.050 1 1 818 . 8 1 1 A 82 82 ASP N N 224 128.466 126.581 1.885 1 1 819 . 8 1 1 A 83 83 GLU H H 225 7.479 7.686 -0.207 1 1 820 . 8 1 1 A 83 83 GLU HA H 225 5.454 4.823 0.631 1 1 825 . 8 1 1 A 83 83 GLU C C 225 175.120 175.454 -0.334 1 1 826 . 8 1 1 A 83 83 GLU CA C 225 54.723 55.572 -0.849 1 1 827 . 8 1 1 A 83 83 GLU CB C 225 33.927 31.598 2.329 1 1 829 . 8 1 1 A 83 83 GLU N N 225 118.419 120.088 -1.669 1 1 830 . 8 1 1 A 84 84 THR H H 226 8.759 9.262 -0.503 1 1 831 . 8 1 1 A 84 84 THR HA H 226 4.680 4.748 -0.068 1 1 836 . 8 1 1 A 84 84 THR C C 226 170.497 173.710 -3.213 1 1 837 . 8 1 1 A 84 84 THR CA C 226 62.538 61.764 0.774 1 1 838 . 8 1 1 A 84 84 THR CB C 226 70.389 69.188 1.201 1 1 840 . 8 1 1 A 84 84 THR N N 226 116.177 121.908 -5.731 1 1 841 . 8 1 1 A 85 85 LYS H H 227 7.829 8.844 -1.015 1 1 842 . 8 1 1 A 85 85 LYS HA H 227 5.085 4.683 0.402 1 1 847 . 8 1 1 A 85 85 LYS C C 227 174.884 175.216 -0.332 1 1 848 . 8 1 1 A 85 85 LYS CA C 227 54.338 56.080 -1.742 1 1 849 . 8 1 1 A 85 85 LYS CB C 227 34.154 32.491 1.663 1 1 853 . 8 1 1 A 85 85 LYS N N 227 125.540 126.992 -1.452 1 1 854 . 8 1 1 A 86 86 LEU H H 228 8.977 9.005 -0.028 1 1 855 . 8 1 1 A 86 86 LEU HA H 228 5.049 5.103 -0.054 1 1 864 . 8 1 1 A 86 86 LEU C C 228 174.337 175.055 -0.718 1 1 865 . 8 1 1 A 86 86 LEU CA C 228 52.201 53.402 -1.201 1 1 866 . 8 1 1 A 86 86 LEU CB C 228 44.238 43.356 0.882 1 1 867 . 8 1 1 A 86 86 LEU N N 228 125.294 126.501 -1.207 1 1 868 . 8 1 1 A 87 87 LEU H H 229 8.619 8.485 0.134 1 1 869 . 8 1 1 A 87 87 LEU HA H 229 5.244 5.282 -0.038 1 1 875 . 8 1 1 A 87 87 LEU C C 229 175.951 175.921 0.030 1 1 876 . 8 1 1 A 87 87 LEU CA C 229 53.857 53.496 0.361 1 1 877 . 8 1 1 A 87 87 LEU CB C 229 43.711 44.589 -0.878 1 1 878 . 8 1 1 A 87 87 LEU N N 229 128.223 127.590 0.633 1 1 879 . 8 1 1 A 88 88 VAL H H 230 9.291 8.757 0.534 1 1 880 . 8 1 1 A 88 88 VAL HA H 230 5.627 5.500 0.127 1 1 888 . 8 1 1 A 88 88 VAL C C 230 174.077 174.820 -0.743 1 1 889 . 8 1 1 A 88 88 VAL CA C 230 58.217 60.042 -1.825 1 1 890 . 8 1 1 A 88 88 VAL CB C 230 36.697 34.769 1.928 1 1 893 . 8 1 1 A 88 88 VAL N N 230 120.780 122.166 -1.386 1 1 894 . 8 1 1 A 89 89 VAL H H 231 8.241 8.706 -0.465 1 1 895 . 8 1 1 A 89 89 VAL HA H 231 4.814 4.730 0.084 1 1 903 . 8 1 1 A 89 89 VAL C C 231 174.661 173.847 0.814 1 1 904 . 8 1 1 A 89 89 VAL CA C 231 58.524 59.551 -1.027 1 1 905 . 8 1 1 A 89 89 VAL CB C 231 35.588 35.479 0.109 1 1 908 . 8 1 1 A 89 89 VAL N N 231 110.935 120.636 -9.701 1 1 909 . 8 1 1 A 90 90 ASP H H 232 7.841 8.621 -0.780 1 1 910 . 8 1 1 A 90 90 ASP HA H 232 4.883 4.654 0.229 1 1 913 . 8 1 1 A 90 90 ASP C C 232 175.406 176.647 -1.241 1 1 914 . 8 1 1 A 90 90 ASP CA C 232 52.420 53.504 -1.084 1 1 915 . 8 1 1 A 90 90 ASP CB C 232 41.621 40.602 1.019 1 1 916 . 8 1 1 A 90 90 ASP N N 232 122.442 124.400 -1.958 1 1 917 . 8 1 1 A 91 91 ARG H H 233 8.780 8.892 -0.112 1 1 918 . 8 1 1 A 91 91 ARG HA H 233 4.228 4.298 -0.070 1 1 921 . 8 1 1 A 91 91 ARG C C 233 177.865 178.659 -0.794 1 1 922 . 8 1 1 A 91 91 ARG CA C 233 58.821 58.191 0.630 1 1 923 . 8 1 1 A 91 91 ARG CB C 233 29.977 30.285 -0.308 1 1 925 . 8 1 1 A 91 91 ARG N N 233 120.292 127.048 -6.756 1 1 926 . 8 1 1 A 92 92 GLU H H 234 8.663 7.621 1.042 1 1 927 . 8 1 1 A 92 92 GLU HA H 234 4.071 4.059 0.012 1 1 932 . 8 1 1 A 92 92 GLU C C 234 178.395 179.286 -0.891 1 1 933 . 8 1 1 A 92 92 GLU CA C 234 59.115 59.350 -0.235 1 1 934 . 8 1 1 A 92 92 GLU CB C 234 29.131 29.451 -0.320 1 1 936 . 8 1 1 A 92 92 GLU N N 234 119.448 119.511 -0.063 1 1 937 . 8 1 1 A 93 93 THR H H 235 8.255 8.036 0.219 1 1 938 . 8 1 1 A 93 93 THR HA H 235 3.975 3.924 0.051 1 1 943 . 8 1 1 A 93 93 THR C C 235 175.146 175.604 -0.458 1 1 944 . 8 1 1 A 93 93 THR CA C 235 65.516 66.823 -1.307 1 1 945 . 8 1 1 A 93 93 THR CB C 235 68.363 67.882 0.481 1 1 947 . 8 1 1 A 93 93 THR N N 235 117.260 116.648 0.612 1 1 948 . 8 1 1 A 94 94 ASP H H 236 8.302 8.415 -0.113 1 1 949 . 8 1 1 A 94 94 ASP HA H 236 4.557 4.506 0.051 1 1 952 . 8 1 1 A 94 94 ASP C C 236 177.739 177.542 0.197 1 1 953 . 8 1 1 A 94 94 ASP CA C 236 55.460 57.408 -1.948 1 1 954 . 8 1 1 A 94 94 ASP CB C 236 41.093 41.292 -0.199 1 1 955 . 8 1 1 A 94 94 ASP N N 236 122.075 121.143 0.932 1 1 956 . 8 1 1 A 95 95 GLU H H 237 8.084 8.166 -0.082 1 1 957 . 8 1 1 A 95 95 GLU HA H 237 4.032 4.441 -0.409 1 1 961 . 8 1 1 A 95 95 GLU C C 237 176.899 178.784 -1.885 1 1 962 . 8 1 1 A 95 95 GLU CA C 237 57.612 57.430 0.182 1 1 963 . 8 1 1 A 95 95 GLU CB C 237 29.393 30.542 -1.149 1 1 965 . 8 1 1 A 95 95 GLU N N 237 117.733 116.653 1.080 1 1 966 . 8 1 1 A 96 96 PHE H H 238 7.927 8.750 -0.823 1 1 967 . 8 1 1 A 96 96 PHE HA H 238 4.363 4.282 0.081 1 1 974 . 8 1 1 A 96 96 PHE C C 238 175.655 177.618 -1.963 1 1 975 . 8 1 1 A 96 96 PHE CA C 238 59.139 61.454 -2.315 1 1 976 . 8 1 1 A 96 96 PHE CB C 238 39.723 38.920 0.803 1 1 977 . 8 1 1 A 96 96 PHE N N 238 119.312 122.197 -2.885 1 1 978 . 8 1 1 A 97 97 PHE H H 239 7.896 8.339 -0.443 1 1 979 . 8 1 1 A 97 97 PHE HA H 239 4.506 4.148 0.358 1 1 986 . 8 1 1 A 97 97 PHE C C 239 174.173 177.340 -3.167 1 1 987 . 8 1 1 A 97 97 PHE CA C 239 58.034 61.259 -3.225 1 1 988 . 8 1 1 A 97 97 PHE CB C 239 39.447 39.403 0.044 1 1 989 . 8 1 1 A 97 97 PHE N N 239 119.260 120.455 -1.195 1 1 1 . 9 1 1 A 2 2 ILE HA H 144 4.171 4.913 -0.742 1 1 11 . 9 1 1 A 2 2 ILE C C 144 175.446 173.478 1.968 1 1 12 . 9 1 1 A 2 2 ILE CA C 144 60.547 59.400 1.147 1 1 13 . 9 1 1 A 2 2 ILE CB C 144 38.500 41.743 -3.243 1 1 17 . 9 1 1 A 3 3 ASP H H 145 8.584 8.541 0.043 1 1 18 . 9 1 1 A 3 3 ASP HA H 145 4.879 4.784 0.095 1 1 21 . 9 1 1 A 3 3 ASP CA C 145 51.583 52.090 -0.507 1 1 22 . 9 1 1 A 3 3 ASP CB C 145 41.044 41.868 -0.824 1 1 23 . 9 1 1 A 3 3 ASP N N 145 127.098 128.668 -1.570 1 1 24 . 9 1 1 A 4 4 PRO HA H 146 4.290 4.358 -0.068 1 1 31 . 9 1 1 A 4 4 PRO C C 146 176.840 178.107 -1.267 1 1 32 . 9 1 1 A 4 4 PRO CA C 146 63.386 65.908 -2.522 1 1 33 . 9 1 1 A 4 4 PRO CB C 146 31.799 31.579 0.220 1 1 36 . 9 1 1 A 5 5 PHE H H 147 8.323 7.998 0.325 1 1 37 . 9 1 1 A 5 5 PHE HA H 147 4.550 4.279 0.271 1 1 44 . 9 1 1 A 5 5 PHE C C 147 176.081 175.551 0.530 1 1 45 . 9 1 1 A 5 5 PHE CA C 147 58.224 60.888 -2.664 1 1 46 . 9 1 1 A 5 5 PHE CB C 147 38.571 40.737 -2.166 1 1 47 . 9 1 1 A 5 5 PHE N N 147 118.510 118.345 0.165 1 1 48 . 9 1 1 A 6 6 THR H H 148 7.769 8.058 -0.289 1 1 49 . 9 1 1 A 6 6 THR HA H 148 4.195 4.688 -0.493 1 1 54 . 9 1 1 A 6 6 THR C C 148 173.870 172.978 0.892 1 1 55 . 9 1 1 A 6 6 THR CA C 148 62.114 61.378 0.736 1 1 56 . 9 1 1 A 6 6 THR CB C 148 69.325 70.555 -1.230 1 1 58 . 9 1 1 A 6 6 THR N N 148 114.321 107.041 7.280 1 1 59 . 9 1 1 A 7 7 MET H H 149 8.101 8.908 -0.807 1 1 60 . 9 1 1 A 7 7 MET HA H 149 4.438 4.650 -0.212 1 1 65 . 9 1 1 A 7 7 MET C C 149 175.544 176.310 -0.766 1 1 66 . 9 1 1 A 7 7 MET CA C 149 55.218 56.413 -1.195 1 1 67 . 9 1 1 A 7 7 MET CB C 149 32.224 34.551 -2.327 1 1 69 . 9 1 1 A 7 7 MET N N 149 121.779 120.613 1.166 1 1 70 . 9 1 1 A 8 8 LEU H H 150 8.110 8.022 0.088 1 1 71 . 9 1 1 A 8 8 LEU HA H 150 4.467 4.590 -0.123 1 1 81 . 9 1 1 A 8 8 LEU C C 150 175.439 175.988 -0.549 1 1 82 . 9 1 1 A 8 8 LEU CA C 150 54.333 54.038 0.295 1 1 83 . 9 1 1 A 8 8 LEU CB C 150 40.631 43.846 -3.215 1 1 86 . 9 1 1 A 8 8 LEU N N 150 123.383 118.322 5.061 1 1 87 . 9 1 1 A 9 9 ARG H H 151 7.900 7.433 0.467 1 1 88 . 9 1 1 A 9 9 ARG HA H 151 4.769 4.398 0.371 1 1 93 . 9 1 1 A 9 9 ARG CA C 151 52.792 55.507 -2.715 1 1 94 . 9 1 1 A 9 9 ARG CB C 151 30.717 30.634 0.083 1 1 96 . 9 1 1 A 9 9 ARG N N 151 119.907 118.591 1.316 1 1 97 . 9 1 1 A 10 10 PRO HA H 152 4.546 4.716 -0.170 1 1 104 . 9 1 1 A 10 10 PRO C C 152 175.520 176.336 -0.816 1 1 105 . 9 1 1 A 10 10 PRO CA C 152 62.580 62.487 0.093 1 1 106 . 9 1 1 A 10 10 PRO CB C 152 31.507 32.572 -1.065 1 1 109 . 9 1 1 A 11 11 ARG H H 153 8.987 9.346 -0.359 1 1 110 . 9 1 1 A 11 11 ARG HA H 153 4.462 4.729 -0.267 1 1 113 . 9 1 1 A 11 11 ARG C C 153 173.260 174.597 -1.337 1 1 114 . 9 1 1 A 11 11 ARG CA C 153 54.652 55.565 -0.913 1 1 115 . 9 1 1 A 11 11 ARG CB C 153 32.449 32.192 0.257 1 1 116 . 9 1 1 A 11 11 ARG N N 153 122.642 121.567 1.075 1 1 117 . 9 1 1 A 12 12 LEU H H 154 8.675 8.759 -0.084 1 1 118 . 9 1 1 A 12 12 LEU HA H 154 4.926 4.928 -0.002 1 1 127 . 9 1 1 A 12 12 LEU C C 154 176.282 174.919 1.363 1 1 128 . 9 1 1 A 12 12 LEU CA C 154 53.222 53.978 -0.756 1 1 129 . 9 1 1 A 12 12 LEU CB C 154 42.382 43.781 -1.399 1 1 132 . 9 1 1 A 12 12 LEU N N 154 125.776 124.927 0.849 1 1 133 . 9 1 1 A 13 13 CYS H H 155 9.509 9.697 -0.188 1 1 134 . 9 1 1 A 13 13 CYS HA H 155 4.762 5.275 -0.513 1 1 137 . 9 1 1 A 13 13 CYS C C 155 173.211 173.467 -0.256 1 1 138 . 9 1 1 A 13 13 CYS CA C 155 57.646 56.694 0.952 1 1 139 . 9 1 1 A 13 13 CYS CB C 155 28.495 30.584 -2.089 1 1 140 . 9 1 1 A 13 13 CYS N N 155 130.053 127.101 2.952 1 1 141 . 9 1 1 A 14 14 THR H H 156 8.979 9.096 -0.117 1 1 142 . 9 1 1 A 14 14 THR HA H 156 4.927 5.011 -0.084 1 1 147 . 9 1 1 A 14 14 THR C C 156 172.990 173.641 -0.651 1 1 148 . 9 1 1 A 14 14 THR CA C 156 61.216 61.886 -0.670 1 1 149 . 9 1 1 A 14 14 THR CB C 156 69.306 70.918 -1.612 1 1 151 . 9 1 1 A 14 14 THR N N 156 122.811 121.688 1.123 1 1 152 . 9 1 1 A 15 15 MET H H 157 8.889 8.891 -0.002 1 1 153 . 9 1 1 A 15 15 MET HA H 157 5.006 5.456 -0.450 1 1 157 . 9 1 1 A 15 15 MET C C 157 176.000 175.219 0.781 1 1 158 . 9 1 1 A 15 15 MET CA C 157 54.167 53.175 0.992 1 1 159 . 9 1 1 A 15 15 MET CB C 157 39.030 35.142 3.888 1 1 160 . 9 1 1 A 15 15 MET N N 157 121.855 124.343 -2.488 1 1 161 . 9 1 1 A 16 16 LYS H H 158 8.614 8.764 -0.150 1 1 162 . 9 1 1 A 16 16 LYS HA H 158 5.262 4.965 0.297 1 1 167 . 9 1 1 A 16 16 LYS C C 158 175.677 176.842 -1.165 1 1 168 . 9 1 1 A 16 16 LYS CA C 158 54.283 55.306 -1.023 1 1 169 . 9 1 1 A 16 16 LYS CB C 158 34.677 33.458 1.219 1 1 172 . 9 1 1 A 16 16 LYS N N 158 122.373 121.739 0.634 1 1 173 . 9 1 1 A 17 17 LYS H H 159 8.519 8.949 -0.430 1 1 174 . 9 1 1 A 17 17 LYS HA H 159 3.208 4.058 -0.850 1 1 179 . 9 1 1 A 17 17 LYS C C 159 176.799 176.391 0.408 1 1 180 . 9 1 1 A 17 17 LYS CA C 159 58.532 59.453 -0.921 1 1 181 . 9 1 1 A 17 17 LYS CB C 159 33.471 32.444 1.027 1 1 184 . 9 1 1 A 17 17 LYS N N 159 123.623 127.575 -3.952 1 1 185 . 9 1 1 A 18 18 GLY H H 160 7.222 7.809 -0.587 1 1 186 . 9 1 1 A 18 18 GLY HA2 H 160 4.578 3.957 0.621 1 1 187 . 9 1 1 A 18 18 GLY HA3 H 160 3.950 3.962 -0.012 1 1 188 . 9 1 1 A 18 18 GLY CA C 160 44.160 45.159 -0.999 1 1 189 . 9 1 1 A 18 18 GLY N N 160 111.304 107.205 4.099 1 1 190 . 9 1 1 A 19 19 PRO HA H 161 4.307 4.479 -0.172 1 1 197 . 9 1 1 A 19 19 PRO C C 161 177.523 176.867 0.656 1 1 198 . 9 1 1 A 19 19 PRO CA C 161 64.766 63.991 0.775 1 1 199 . 9 1 1 A 19 19 PRO CB C 161 31.509 32.629 -1.120 1 1 202 . 9 1 1 A 20 20 SER H H 162 8.462 7.288 1.174 1 1 203 . 9 1 1 A 20 20 SER HA H 162 4.708 4.351 0.357 1 1 206 . 9 1 1 A 20 20 SER C C 162 173.887 174.165 -0.278 1 1 207 . 9 1 1 A 20 20 SER CA C 162 56.541 59.038 -2.497 1 1 208 . 9 1 1 A 20 20 SER CB C 162 63.086 64.546 -1.460 1 1 209 . 9 1 1 A 20 20 SER N N 162 111.594 112.252 -0.658 1 1 210 . 9 1 1 A 21 21 GLY H H 163 7.730 7.395 0.335 1 1 211 . 9 1 1 A 21 21 GLY HA2 H 163 4.477 3.576 0.901 1 1 212 . 9 1 1 A 21 21 GLY HA3 H 163 3.242 3.724 -0.482 1 1 213 . 9 1 1 A 21 21 GLY CA C 163 43.895 44.408 -0.513 1 1 214 . 9 1 1 A 21 21 GLY N N 163 108.656 108.771 -0.115 1 1 215 . 9 1 1 A 22 22 TYR H H 164 7.210 8.075 -0.865 1 1 216 . 9 1 1 A 22 22 TYR HA H 164 4.366 4.203 0.163 1 1 223 . 9 1 1 A 22 22 TYR C C 164 176.198 176.124 0.074 1 1 224 . 9 1 1 A 22 22 TYR CA C 164 60.930 58.362 2.568 1 1 225 . 9 1 1 A 22 22 TYR CB C 164 40.660 39.336 1.324 1 1 226 . 9 1 1 A 23 23 GLY H H 165 8.600 8.500 0.100 1 1 227 . 9 1 1 A 23 23 GLY HA2 H 165 4.511 3.868 0.643 1 1 228 . 9 1 1 A 23 23 GLY HA3 H 165 3.886 3.900 -0.014 1 1 229 . 9 1 1 A 23 23 GLY C C 165 172.930 173.651 -0.721 1 1 230 . 9 1 1 A 23 23 GLY CA C 165 45.013 46.224 -1.211 1 1 231 . 9 1 1 A 23 23 GLY N N 165 103.183 108.435 -5.252 1 1 232 . 9 1 1 A 24 24 PHE H H 166 6.855 7.532 -0.677 1 1 233 . 9 1 1 A 24 24 PHE HA H 166 5.629 5.219 0.410 1 1 241 . 9 1 1 A 24 24 PHE C C 166 172.417 173.313 -0.896 1 1 242 . 9 1 1 A 24 24 PHE CA C 166 54.693 55.759 -1.066 1 1 243 . 9 1 1 A 24 24 PHE CB C 166 42.235 41.894 0.341 1 1 244 . 9 1 1 A 24 24 PHE N N 166 111.547 115.093 -3.546 1 1 245 . 9 1 1 A 25 25 ASN H H 167 8.121 9.337 -1.216 1 1 246 . 9 1 1 A 25 25 ASN HA H 167 5.097 5.582 -0.485 1 1 251 . 9 1 1 A 25 25 ASN C C 167 174.068 174.524 -0.456 1 1 252 . 9 1 1 A 25 25 ASN CA C 167 51.521 52.421 -0.900 1 1 253 . 9 1 1 A 25 25 ASN CB C 167 41.155 42.801 -1.646 1 1 254 . 9 1 1 A 25 25 ASN N N 167 117.619 117.638 -0.019 1 1 256 . 9 1 1 A 26 26 LEU H H 168 9.287 8.919 0.368 1 1 257 . 9 1 1 A 26 26 LEU HA H 168 5.369 5.209 0.160 1 1 266 . 9 1 1 A 26 26 LEU C C 168 176.491 175.437 1.054 1 1 267 . 9 1 1 A 26 26 LEU CA C 168 54.171 54.006 0.165 1 1 268 . 9 1 1 A 26 26 LEU CB C 168 44.783 45.891 -1.108 1 1 272 . 9 1 1 A 26 26 LEU N N 168 123.933 121.074 2.859 1 1 273 . 9 1 1 A 27 27 HIS H H 169 9.466 9.184 0.282 1 1 274 . 9 1 1 A 27 27 HIS HA H 169 4.922 5.669 -0.747 1 1 276 . 9 1 1 A 27 27 HIS CA C 169 56.019 53.833 2.186 1 1 277 . 9 1 1 A 27 27 HIS CB C 169 33.352 33.530 -0.178 1 1 278 . 9 1 1 A 27 27 HIS N N 169 119.976 119.355 0.621 1 1 279 . 9 1 1 A 28 28 SER HA H 170 4.703 4.646 0.057 1 1 282 . 9 1 1 A 28 28 SER C C 170 172.451 172.512 -0.061 1 1 283 . 9 1 1 A 28 28 SER CA C 170 57.104 56.236 0.868 1 1 284 . 9 1 1 A 28 28 SER CB C 170 63.937 65.923 -1.986 1 1 285 . 9 1 1 A 29 29 ASP H H 171 9.230 8.989 0.241 1 1 286 . 9 1 1 A 29 29 ASP HA H 171 4.591 4.738 -0.147 1 1 289 . 9 1 1 A 29 29 ASP CA C 171 53.406 55.615 -2.209 1 1 290 . 9 1 1 A 29 29 ASP CB C 171 43.831 42.323 1.508 1 1 291 . 9 1 1 A 29 29 ASP N N 171 123.447 123.146 0.301 1 1 292 . 9 1 1 A 30 30 LYS HA H 172 4.148 4.583 -0.435 1 1 298 . 9 1 1 A 30 30 LYS C C 172 176.768 176.746 0.022 1 1 299 . 9 1 1 A 30 30 LYS CA C 172 57.755 54.948 2.807 1 1 300 . 9 1 1 A 30 30 LYS CB C 172 31.872 33.728 -1.856 1 1 301 . 9 1 1 A 31 31 SER H H 173 8.803 8.599 0.204 1 1 302 . 9 1 1 A 31 31 SER HA H 173 4.419 4.715 -0.296 1 1 304 . 9 1 1 A 31 31 SER C C 173 173.570 174.660 -1.090 1 1 305 . 9 1 1 A 31 31 SER CA C 173 59.354 57.792 1.562 1 1 306 . 9 1 1 A 31 31 SER CB C 173 64.113 63.854 0.259 1 1 307 . 9 1 1 A 31 31 SER N N 173 115.001 116.000 -0.999 1 1 308 . 9 1 1 A 32 32 LYS H H 174 7.893 7.776 0.117 1 1 309 . 9 1 1 A 32 32 LYS HA H 174 4.804 4.369 0.435 1 1 316 . 9 1 1 A 32 32 LYS CA C 174 53.258 58.328 -5.070 1 1 317 . 9 1 1 A 32 32 LYS CB C 174 33.448 33.561 -0.113 1 1 321 . 9 1 1 A 32 32 LYS N N 174 122.863 120.362 2.501 1 1 322 . 9 1 1 A 33 33 PRO HA H 175 4.592 4.337 0.255 1 1 329 . 9 1 1 A 33 33 PRO C C 175 176.188 176.953 -0.765 1 1 330 . 9 1 1 A 33 33 PRO CA C 175 62.823 65.531 -2.708 1 1 331 . 9 1 1 A 33 33 PRO CB C 175 32.076 31.695 0.381 1 1 334 . 9 1 1 A 34 34 GLY H H 176 8.328 7.210 1.118 1 1 335 . 9 1 1 A 34 34 GLY HA2 H 176 4.179 3.971 0.208 1 1 336 . 9 1 1 A 34 34 GLY HA3 H 176 3.713 4.050 -0.337 1 1 337 . 9 1 1 A 34 34 GLY C C 176 172.298 171.525 0.773 1 1 338 . 9 1 1 A 34 34 GLY CA C 176 43.770 44.218 -0.448 1 1 339 . 9 1 1 A 34 34 GLY N N 176 108.419 103.923 4.496 1 1 340 . 9 1 1 A 35 35 GLN H H 177 8.673 8.265 0.408 1 1 341 . 9 1 1 A 35 35 GLN HA H 177 4.761 4.278 0.483 1 1 347 . 9 1 1 A 35 35 GLN C C 177 173.569 174.563 -0.994 1 1 348 . 9 1 1 A 35 35 GLN CA C 177 53.731 54.911 -1.180 1 1 349 . 9 1 1 A 35 35 GLN CB C 177 29.555 29.698 -0.143 1 1 351 . 9 1 1 A 35 35 GLN N N 177 117.933 120.051 -2.118 1 1 353 . 9 1 1 A 36 36 PHE H H 178 8.799 8.071 0.728 1 1 354 . 9 1 1 A 36 36 PHE HA H 178 5.447 4.838 0.609 1 1 361 . 9 1 1 A 36 36 PHE C C 178 175.427 175.471 -0.044 1 1 362 . 9 1 1 A 36 36 PHE CA C 178 55.349 56.808 -1.459 1 1 363 . 9 1 1 A 36 36 PHE CB C 178 42.486 42.886 -0.400 1 1 364 . 9 1 1 A 36 36 PHE N N 178 120.404 123.857 -3.453 1 1 365 . 9 1 1 A 37 37 ILE H H 179 9.203 8.689 0.514 1 1 366 . 9 1 1 A 37 37 ILE HA H 179 4.322 4.163 0.159 1 1 376 . 9 1 1 A 37 37 ILE C C 179 176.207 177.324 -1.117 1 1 377 . 9 1 1 A 37 37 ILE CA C 179 58.611 61.586 -2.975 1 1 378 . 9 1 1 A 37 37 ILE CB C 179 34.911 38.151 -3.240 1 1 380 . 9 1 1 A 37 37 ILE N N 179 120.720 124.669 -3.949 1 1 381 . 9 1 1 A 38 38 ARG H H 180 9.453 9.036 0.417 1 1 382 . 9 1 1 A 38 38 ARG HA H 180 3.951 4.267 -0.316 1 1 389 . 9 1 1 A 38 38 ARG C C 180 175.332 176.135 -0.803 1 1 390 . 9 1 1 A 38 38 ARG CA C 180 58.035 56.775 1.260 1 1 391 . 9 1 1 A 38 38 ARG CB C 180 30.593 31.376 -0.783 1 1 393 . 9 1 1 A 38 38 ARG N N 180 132.453 124.830 7.623 1 1 394 . 9 1 1 A 39 39 SER H H 181 7.529 7.731 -0.202 1 1 395 . 9 1 1 A 39 39 SER HA H 181 4.553 4.761 -0.208 1 1 397 . 9 1 1 A 39 39 SER C C 181 170.792 172.224 -1.432 1 1 398 . 9 1 1 A 39 39 SER CA C 181 56.629 57.459 -0.830 1 1 399 . 9 1 1 A 39 39 SER CB C 181 64.756 65.449 -0.693 1 1 400 . 9 1 1 A 39 39 SER N N 181 109.145 113.388 -4.243 1 1 401 . 9 1 1 A 40 40 VAL H H 182 8.595 8.665 -0.070 1 1 402 . 9 1 1 A 40 40 VAL HA H 182 4.609 4.847 -0.238 1 1 410 . 9 1 1 A 40 40 VAL C C 182 175.150 173.987 1.163 1 1 411 . 9 1 1 A 40 40 VAL CA C 182 60.603 60.573 0.030 1 1 412 . 9 1 1 A 40 40 VAL CB C 182 34.480 35.684 -1.204 1 1 415 . 9 1 1 A 40 40 VAL N N 182 119.939 123.141 -3.202 1 1 416 . 9 1 1 A 41 41 ASP H H 183 9.410 9.478 -0.068 1 1 417 . 9 1 1 A 41 41 ASP HA H 183 4.770 5.074 -0.304 1 1 420 . 9 1 1 A 41 41 ASP CA C 183 52.418 50.754 1.664 1 1 421 . 9 1 1 A 41 41 ASP CB C 183 39.357 42.315 -2.958 1 1 422 . 9 1 1 A 41 41 ASP N N 183 129.870 127.617 2.253 1 1 423 . 9 1 1 A 42 42 PRO HA H 184 4.551 4.321 0.230 1 1 429 . 9 1 1 A 42 42 PRO C C 184 176.520 177.013 -0.493 1 1 430 . 9 1 1 A 42 42 PRO CA C 184 62.915 63.768 -0.853 1 1 431 . 9 1 1 A 42 42 PRO CB C 184 31.844 31.921 -0.077 1 1 434 . 9 1 1 A 43 43 ASP H H 185 9.250 8.957 0.293 1 1 435 . 9 1 1 A 43 43 ASP HA H 185 4.356 4.288 0.068 1 1 438 . 9 1 1 A 43 43 ASP C C 185 173.959 174.712 -0.753 1 1 439 . 9 1 1 A 43 43 ASP CA C 185 55.638 55.659 -0.021 1 1 440 . 9 1 1 A 43 43 ASP CB C 185 39.100 40.378 -1.278 1 1 441 . 9 1 1 A 43 43 ASP N N 185 118.710 122.449 -3.739 1 1 442 . 9 1 1 A 44 44 SER H H 186 7.336 7.640 -0.304 1 1 443 . 9 1 1 A 44 44 SER HA H 186 4.953 4.876 0.077 1 1 445 . 9 1 1 A 44 44 SER CA C 186 56.329 56.082 0.247 1 1 446 . 9 1 1 A 44 44 SER CB C 186 65.440 63.883 1.557 1 1 447 . 9 1 1 A 44 44 SER N N 186 111.769 114.723 -2.954 1 1 448 . 9 1 1 A 45 45 PRO HA H 187 4.522 4.165 0.357 1 1 455 . 9 1 1 A 45 45 PRO C C 187 179.929 178.191 1.738 1 1 456 . 9 1 1 A 45 45 PRO CA C 187 65.133 65.579 -0.446 1 1 457 . 9 1 1 A 45 45 PRO CB C 187 32.682 31.684 0.998 1 1 459 . 9 1 1 A 46 46 ALA H H 188 8.492 7.998 0.494 1 1 460 . 9 1 1 A 46 46 ALA HA H 188 4.378 4.113 0.265 1 1 464 . 9 1 1 A 46 46 ALA C C 188 175.528 179.859 -4.331 1 1 465 . 9 1 1 A 46 46 ALA CA C 188 54.584 55.495 -0.911 1 1 466 . 9 1 1 A 46 46 ALA CB C 188 19.714 18.564 1.150 1 1 467 . 9 1 1 A 46 46 ALA N N 188 118.684 118.658 0.026 1 1 468 . 9 1 1 A 47 47 GLU H H 189 8.266 8.215 0.051 1 1 469 . 9 1 1 A 47 47 GLU HA H 189 3.881 4.012 -0.131 1 1 472 . 9 1 1 A 47 47 GLU C C 189 173.891 178.525 -4.634 1 1 473 . 9 1 1 A 47 47 GLU CA C 189 59.881 59.475 0.406 1 1 474 . 9 1 1 A 47 47 GLU CB C 189 29.830 29.581 0.249 1 1 475 . 9 1 1 A 47 47 GLU N N 189 122.834 118.438 4.396 1 1 476 . 9 1 1 A 48 48 ALA H H 190 8.378 8.340 0.038 1 1 477 . 9 1 1 A 48 48 ALA HA H 190 4.228 4.130 0.098 1 1 481 . 9 1 1 A 48 48 ALA C C 190 178.612 179.795 -1.183 1 1 482 . 9 1 1 A 48 48 ALA CA C 190 54.522 54.487 0.035 1 1 483 . 9 1 1 A 48 48 ALA CB C 190 17.980 18.540 -0.560 1 1 484 . 9 1 1 A 48 48 ALA N N 190 122.847 122.140 0.707 1 1 485 . 9 1 1 A 49 49 SER H H 191 7.949 7.559 0.390 1 1 486 . 9 1 1 A 49 49 SER HA H 191 4.544 4.522 0.022 1 1 489 . 9 1 1 A 49 49 SER C C 191 174.409 174.733 -0.324 1 1 490 . 9 1 1 A 49 49 SER CA C 191 59.717 58.667 1.050 1 1 491 . 9 1 1 A 49 49 SER CB C 191 64.762 63.728 1.034 1 1 492 . 9 1 1 A 49 49 SER N N 191 112.314 110.757 1.557 1 1 493 . 9 1 1 A 50 50 GLY H H 192 7.604 8.289 -0.685 1 1 494 . 9 1 1 A 50 50 GLY HA2 H 192 4.427 4.038 0.389 1 1 495 . 9 1 1 A 50 50 GLY HA3 H 192 3.714 4.038 -0.324 1 1 496 . 9 1 1 A 50 50 GLY C C 192 173.516 174.402 -0.886 1 1 497 . 9 1 1 A 50 50 GLY CA C 192 44.654 45.250 -0.596 1 1 498 . 9 1 1 A 50 50 GLY N N 192 107.849 109.360 -1.511 1 1 499 . 9 1 1 A 51 51 LEU H H 193 7.268 8.499 -1.231 1 1 500 . 9 1 1 A 51 51 LEU HA H 193 3.969 4.527 -0.558 1 1 510 . 9 1 1 A 51 51 LEU C C 193 174.799 175.668 -0.869 1 1 511 . 9 1 1 A 51 51 LEU CA C 193 55.198 55.079 0.119 1 1 512 . 9 1 1 A 51 51 LEU CB C 193 43.724 42.857 0.867 1 1 515 . 9 1 1 A 51 51 LEU N N 193 124.317 123.348 0.969 1 1 516 . 9 1 1 A 52 52 ARG H H 194 8.891 8.629 0.262 1 1 517 . 9 1 1 A 52 52 ARG HA H 194 4.613 5.008 -0.395 1 1 521 . 9 1 1 A 52 52 ARG C C 194 174.936 175.394 -0.458 1 1 522 . 9 1 1 A 52 52 ARG CA C 194 54.127 53.938 0.189 1 1 523 . 9 1 1 A 52 52 ARG CB C 194 34.156 33.926 0.230 1 1 524 . 9 1 1 A 52 52 ARG N N 194 124.468 125.292 -0.824 1 1 525 . 9 1 1 A 53 53 ALA H H 195 8.677 8.579 0.098 1 1 526 . 9 1 1 A 53 53 ALA HA H 195 3.682 4.043 -0.361 1 1 530 . 9 1 1 A 53 53 ALA C C 195 178.524 178.270 0.254 1 1 531 . 9 1 1 A 53 53 ALA CA C 195 53.523 52.813 0.710 1 1 532 . 9 1 1 A 53 53 ALA CB C 195 17.963 19.207 -1.244 1 1 533 . 9 1 1 A 53 53 ALA N N 195 122.213 127.503 -5.290 1 1 534 . 9 1 1 A 54 54 GLN H H 196 9.490 9.263 0.227 1 1 535 . 9 1 1 A 54 54 GLN HA H 196 4.032 4.083 -0.051 1 1 541 . 9 1 1 A 54 54 GLN C C 196 174.503 174.633 -0.130 1 1 542 . 9 1 1 A 54 54 GLN CA C 196 58.036 57.822 0.214 1 1 543 . 9 1 1 A 54 54 GLN CB C 196 26.208 27.011 -0.803 1 1 544 . 9 1 1 A 54 54 GLN N N 196 115.882 115.978 -0.096 1 1 546 . 9 1 1 A 55 55 ASP H H 197 7.798 7.828 -0.030 1 1 547 . 9 1 1 A 55 55 ASP HA H 197 4.757 4.902 -0.145 1 1 550 . 9 1 1 A 55 55 ASP C C 197 174.629 175.795 -1.166 1 1 551 . 9 1 1 A 55 55 ASP CA C 197 55.315 54.367 0.948 1 1 552 . 9 1 1 A 55 55 ASP CB C 197 41.416 41.757 -0.341 1 1 553 . 9 1 1 A 55 55 ASP N N 197 121.039 119.763 1.276 1 1 554 . 9 1 1 A 56 56 ARG H H 198 8.938 8.292 0.646 1 1 555 . 9 1 1 A 56 56 ARG HA H 198 4.430 4.722 -0.292 1 1 557 . 9 1 1 A 56 56 ARG C C 198 174.400 175.531 -1.131 1 1 558 . 9 1 1 A 56 56 ARG CA C 198 54.273 55.799 -1.526 1 1 559 . 9 1 1 A 56 56 ARG CB C 198 32.499 30.779 1.720 1 1 560 . 9 1 1 A 56 56 ARG N N 198 122.032 122.458 -0.426 1 1 561 . 9 1 1 A 57 57 ILE H H 199 8.179 8.675 -0.496 1 1 562 . 9 1 1 A 57 57 ILE HA H 199 3.746 4.135 -0.389 1 1 572 . 9 1 1 A 57 57 ILE C C 199 174.272 175.827 -1.555 1 1 573 . 9 1 1 A 57 57 ILE CA C 199 62.349 62.270 0.079 1 1 574 . 9 1 1 A 57 57 ILE CB C 199 38.071 37.648 0.423 1 1 578 . 9 1 1 A 57 57 ILE N N 199 124.246 126.317 -2.071 1 1 579 . 9 1 1 A 58 58 VAL H H 200 9.389 9.196 0.193 1 1 580 . 9 1 1 A 58 58 VAL HA H 200 4.107 4.162 -0.055 1 1 588 . 9 1 1 A 58 58 VAL C C 200 176.755 176.154 0.601 1 1 589 . 9 1 1 A 58 58 VAL CA C 200 63.067 63.705 -0.638 1 1 590 . 9 1 1 A 58 58 VAL CB C 200 32.894 32.960 -0.066 1 1 592 . 9 1 1 A 58 58 VAL N N 200 127.780 127.763 0.017 1 1 593 . 9 1 1 A 59 59 GLU H H 201 7.850 7.545 0.305 1 1 594 . 9 1 1 A 59 59 GLU HA H 201 5.126 4.937 0.189 1 1 598 . 9 1 1 A 59 59 GLU C C 201 175.123 173.841 1.282 1 1 599 . 9 1 1 A 59 59 GLU CA C 201 54.610 55.033 -0.423 1 1 600 . 9 1 1 A 59 59 GLU CB C 201 34.407 32.757 1.650 1 1 602 . 9 1 1 A 59 59 GLU N N 201 116.847 115.853 0.994 1 1 603 . 9 1 1 A 60 60 VAL H H 202 8.110 8.340 -0.230 1 1 604 . 9 1 1 A 60 60 VAL HA H 202 4.433 4.399 0.034 1 1 612 . 9 1 1 A 60 60 VAL C C 202 175.772 176.155 -0.383 1 1 613 . 9 1 1 A 60 60 VAL CA C 202 60.952 61.502 -0.550 1 1 614 . 9 1 1 A 60 60 VAL CB C 202 33.802 34.300 -0.498 1 1 616 . 9 1 1 A 60 60 VAL N N 202 118.751 119.434 -0.683 1 1 617 . 9 1 1 A 61 61 ASN H H 203 9.900 10.181 -0.281 1 1 618 . 9 1 1 A 61 61 ASN HA H 203 4.312 4.405 -0.093 1 1 621 . 9 1 1 A 61 61 ASN C C 203 174.718 174.483 0.235 1 1 622 . 9 1 1 A 61 61 ASN CA C 203 54.260 54.122 0.138 1 1 623 . 9 1 1 A 61 61 ASN CB C 203 36.965 37.451 -0.486 1 1 624 . 9 1 1 A 61 61 ASN N N 203 128.765 125.643 3.122 1 1 625 . 9 1 1 A 62 62 GLY H H 204 9.192 8.322 0.870 1 1 626 . 9 1 1 A 62 62 GLY HA2 H 204 3.979 3.921 0.058 1 1 627 . 9 1 1 A 62 62 GLY HA3 H 204 3.734 3.922 -0.188 1 1 628 . 9 1 1 A 62 62 GLY C C 204 173.240 174.488 -1.248 1 1 629 . 9 1 1 A 62 62 GLY CA C 204 44.996 45.047 -0.051 1 1 630 . 9 1 1 A 62 62 GLY N N 204 103.295 104.754 -1.459 1 1 631 . 9 1 1 A 63 63 VAL H H 205 7.792 7.412 0.380 1 1 632 . 9 1 1 A 63 63 VAL HA H 205 4.085 4.187 -0.102 1 1 637 . 9 1 1 A 63 63 VAL C C 205 174.605 174.425 0.180 1 1 638 . 9 1 1 A 63 63 VAL CA C 205 61.373 61.316 0.057 1 1 639 . 9 1 1 A 63 63 VAL CB C 205 32.623 31.310 1.313 1 1 642 . 9 1 1 A 63 63 VAL N N 205 122.193 119.344 2.849 1 1 643 . 9 1 1 A 64 64 CYS H H 206 8.878 8.610 0.268 1 1 644 . 9 1 1 A 64 64 CYS HA H 206 4.265 4.729 -0.464 1 1 647 . 9 1 1 A 64 64 CYS C C 206 176.086 173.879 2.207 1 1 648 . 9 1 1 A 64 64 CYS CA C 206 61.148 57.643 3.505 1 1 649 . 9 1 1 A 64 64 CYS CB C 206 27.938 28.118 -0.180 1 1 650 . 9 1 1 A 64 64 CYS N N 206 128.575 127.466 1.109 1 1 651 . 9 1 1 A 65 65 MET H H 207 8.413 8.494 -0.081 1 1 652 . 9 1 1 A 65 65 MET HA H 207 4.877 5.101 -0.224 1 1 654 . 9 1 1 A 65 65 MET CA C 207 52.697 54.425 -1.728 1 1 655 . 9 1 1 A 65 65 MET CB C 207 33.908 34.890 -0.982 1 1 656 . 9 1 1 A 65 65 MET N N 207 125.926 127.181 -1.255 1 1 657 . 9 1 1 A 66 66 GLU H H 208 8.768 8.735 0.033 1 1 658 . 9 1 1 A 66 66 GLU HA H 208 4.187 4.099 0.088 1 1 662 . 9 1 1 A 66 66 GLU C C 208 177.644 176.949 0.695 1 1 663 . 9 1 1 A 66 66 GLU CA C 208 58.586 57.800 0.786 1 1 664 . 9 1 1 A 66 66 GLU CB C 208 28.916 29.536 -0.620 1 1 665 . 9 1 1 A 67 67 GLY H H 209 9.144 8.474 0.670 1 1 666 . 9 1 1 A 67 67 GLY HA2 H 209 4.156 4.001 0.155 1 1 667 . 9 1 1 A 67 67 GLY HA3 H 209 3.746 4.001 -0.255 1 1 668 . 9 1 1 A 67 67 GLY C C 209 173.880 175.016 -1.136 1 1 669 . 9 1 1 A 67 67 GLY CA C 209 45.339 45.153 0.186 1 1 670 . 9 1 1 A 67 67 GLY N N 209 114.503 114.563 -0.060 1 1 671 . 9 1 1 A 68 68 LYS H H 210 7.585 7.182 0.403 1 1 672 . 9 1 1 A 68 68 LYS HA H 210 4.550 4.232 0.318 1 1 675 . 9 1 1 A 68 68 LYS C C 210 176.239 175.834 0.405 1 1 676 . 9 1 1 A 68 68 LYS CA C 210 54.802 56.603 -1.801 1 1 677 . 9 1 1 A 68 68 LYS CB C 210 32.493 33.694 -1.201 1 1 679 . 9 1 1 A 68 68 LYS N N 210 119.299 120.072 -0.773 1 1 680 . 9 1 1 A 69 69 GLN H H 211 9.176 8.729 0.447 1 1 681 . 9 1 1 A 69 69 GLN HA H 211 4.534 4.466 0.068 1 1 688 . 9 1 1 A 69 69 GLN C C 211 176.499 177.320 -0.821 1 1 689 . 9 1 1 A 69 69 GLN CA C 211 54.286 55.047 -0.761 1 1 690 . 9 1 1 A 69 69 GLN CB C 211 30.414 29.526 0.888 1 1 692 . 9 1 1 A 69 69 GLN N N 211 119.518 119.517 0.001 1 1 694 . 9 1 1 A 70 70 HIS H H 212 9.097 9.087 0.010 1 1 695 . 9 1 1 A 70 70 HIS HA H 212 3.866 3.995 -0.129 1 1 698 . 9 1 1 A 70 70 HIS C C 212 176.987 177.188 -0.201 1 1 699 . 9 1 1 A 70 70 HIS CA C 212 61.326 59.585 1.741 1 1 700 . 9 1 1 A 70 70 HIS CB C 212 30.480 30.409 0.071 1 1 701 . 9 1 1 A 70 70 HIS N N 212 122.474 123.000 -0.526 1 1 702 . 9 1 1 A 71 71 GLY H H 213 9.138 8.583 0.555 1 1 703 . 9 1 1 A 71 71 GLY HA2 H 213 3.930 3.764 0.166 1 1 704 . 9 1 1 A 71 71 GLY HA3 H 213 3.693 3.822 -0.129 1 1 705 . 9 1 1 A 71 71 GLY C C 213 176.374 176.164 0.210 1 1 706 . 9 1 1 A 71 71 GLY CA C 213 46.837 46.890 -0.053 1 1 707 . 9 1 1 A 71 71 GLY N N 213 103.821 106.389 -2.568 1 1 708 . 9 1 1 A 72 72 ASP H H 214 7.344 7.812 -0.468 1 1 709 . 9 1 1 A 72 72 ASP HA H 214 4.499 4.317 0.182 1 1 712 . 9 1 1 A 72 72 ASP C C 214 178.391 178.580 -0.189 1 1 713 . 9 1 1 A 72 72 ASP CA C 214 56.650 56.612 0.038 1 1 714 . 9 1 1 A 72 72 ASP CB C 214 41.284 40.941 0.343 1 1 715 . 9 1 1 A 72 72 ASP N N 214 120.357 121.576 -1.219 1 1 716 . 9 1 1 A 73 73 VAL H H 215 7.697 8.342 -0.645 1 1 717 . 9 1 1 A 73 73 VAL HA H 215 3.804 3.582 0.222 1 1 725 . 9 1 1 A 73 73 VAL C C 215 177.258 178.285 -1.027 1 1 726 . 9 1 1 A 73 73 VAL CA C 215 65.957 65.917 0.040 1 1 727 . 9 1 1 A 73 73 VAL CB C 215 31.411 31.349 0.062 1 1 730 . 9 1 1 A 73 73 VAL N N 215 123.318 119.975 3.343 1 1 731 . 9 1 1 A 74 74 VAL H H 216 8.144 8.425 -0.281 1 1 732 . 9 1 1 A 74 74 VAL HA H 216 3.474 3.438 0.036 1 1 740 . 9 1 1 A 74 74 VAL C C 216 178.839 178.209 0.630 1 1 741 . 9 1 1 A 74 74 VAL CA C 216 66.866 65.933 0.933 1 1 742 . 9 1 1 A 74 74 VAL CB C 216 31.496 31.173 0.323 1 1 745 . 9 1 1 A 74 74 VAL N N 216 118.785 121.227 -2.442 1 1 746 . 9 1 1 A 75 75 SER H H 217 8.153 8.097 0.056 1 1 747 . 9 1 1 A 75 75 SER HA H 217 4.131 4.147 -0.016 1 1 750 . 9 1 1 A 75 75 SER C C 217 176.246 176.211 0.035 1 1 751 . 9 1 1 A 75 75 SER CA C 217 62.198 61.683 0.515 1 1 752 . 9 1 1 A 75 75 SER CB C 217 65.986 63.148 2.838 1 1 753 . 9 1 1 A 75 75 SER N N 217 115.428 116.010 -0.582 1 1 754 . 9 1 1 A 76 76 ALA H H 218 7.873 8.096 -0.223 1 1 755 . 9 1 1 A 76 76 ALA HA H 218 4.220 4.113 0.107 1 1 759 . 9 1 1 A 76 76 ALA C C 218 180.251 179.890 0.361 1 1 760 . 9 1 1 A 76 76 ALA CA C 218 54.649 55.121 -0.472 1 1 761 . 9 1 1 A 76 76 ALA CB C 218 17.519 18.110 -0.591 1 1 762 . 9 1 1 A 76 76 ALA N N 218 125.449 122.992 2.457 1 1 763 . 9 1 1 A 77 77 ILE H H 219 8.357 7.602 0.755 1 1 764 . 9 1 1 A 77 77 ILE HA H 219 3.511 3.513 -0.002 1 1 774 . 9 1 1 A 77 77 ILE C C 219 181.394 178.011 3.383 1 1 775 . 9 1 1 A 77 77 ILE CA C 219 65.003 65.290 -0.287 1 1 776 . 9 1 1 A 77 77 ILE CB C 219 38.374 37.721 0.653 1 1 779 . 9 1 1 A 77 77 ILE N N 219 119.293 117.907 1.386 1 1 780 . 9 1 1 A 78 78 ARG H H 220 8.817 7.454 1.363 1 1 781 . 9 1 1 A 78 78 ARG HA H 220 4.162 3.848 0.314 1 1 786 . 9 1 1 A 78 78 ARG C C 220 178.163 177.861 0.302 1 1 787 . 9 1 1 A 78 78 ARG CA C 220 59.499 59.229 0.270 1 1 788 . 9 1 1 A 78 78 ARG CB C 220 30.018 29.678 0.340 1 1 790 . 9 1 1 A 78 78 ARG N N 220 124.633 121.659 2.974 1 1 791 . 9 1 1 A 79 79 ALA H H 221 8.207 8.423 -0.216 1 1 792 . 9 1 1 A 79 79 ALA HA H 221 4.223 4.324 -0.101 1 1 796 . 9 1 1 A 79 79 ALA C C 221 178.343 179.036 -0.693 1 1 797 . 9 1 1 A 79 79 ALA CA C 221 54.107 52.649 1.458 1 1 798 . 9 1 1 A 79 79 ALA CB C 221 18.055 18.869 -0.814 1 1 799 . 9 1 1 A 79 79 ALA N N 221 120.984 121.150 -0.166 1 1 800 . 9 1 1 A 80 80 GLY H H 222 7.239 8.132 -0.893 1 1 801 . 9 1 1 A 80 80 GLY HA2 H 222 4.287 3.937 0.350 1 1 802 . 9 1 1 A 80 80 GLY C C 222 174.203 174.668 -0.465 1 1 803 . 9 1 1 A 80 80 GLY CA C 222 44.921 45.650 -0.729 1 1 804 . 9 1 1 A 80 80 GLY N N 222 102.308 107.671 -5.363 1 1 805 . 9 1 1 A 81 81 GLY H H 223 7.873 8.144 -0.271 1 1 806 . 9 1 1 A 81 81 GLY HA2 H 223 4.229 3.849 0.380 1 1 807 . 9 1 1 A 81 81 GLY HA3 H 223 3.735 3.866 -0.131 1 1 808 . 9 1 1 A 81 81 GLY C C 223 174.031 174.985 -0.954 1 1 809 . 9 1 1 A 81 81 GLY CA C 223 46.465 47.189 -0.724 1 1 810 . 9 1 1 A 81 81 GLY N N 223 107.624 107.182 0.442 1 1 811 . 9 1 1 A 82 82 ASP H H 224 9.157 8.779 0.378 1 1 812 . 9 1 1 A 82 82 ASP HA H 224 4.625 4.639 -0.014 1 1 815 . 9 1 1 A 82 82 ASP C C 224 173.254 176.245 -2.991 1 1 816 . 9 1 1 A 82 82 ASP CA C 224 54.408 54.992 -0.584 1 1 817 . 9 1 1 A 82 82 ASP CB C 224 40.829 41.784 -0.955 1 1 818 . 9 1 1 A 82 82 ASP N N 224 128.466 126.605 1.861 1 1 819 . 9 1 1 A 83 83 GLU H H 225 7.479 7.672 -0.193 1 1 820 . 9 1 1 A 83 83 GLU HA H 225 5.454 4.912 0.542 1 1 825 . 9 1 1 A 83 83 GLU C C 225 175.120 175.125 -0.005 1 1 826 . 9 1 1 A 83 83 GLU CA C 225 54.723 55.064 -0.341 1 1 827 . 9 1 1 A 83 83 GLU CB C 225 33.927 32.112 1.815 1 1 829 . 9 1 1 A 83 83 GLU N N 225 118.419 119.885 -1.466 1 1 830 . 9 1 1 A 84 84 THR H H 226 8.759 9.460 -0.701 1 1 831 . 9 1 1 A 84 84 THR HA H 226 4.680 4.848 -0.168 1 1 836 . 9 1 1 A 84 84 THR C C 226 170.497 173.578 -3.081 1 1 837 . 9 1 1 A 84 84 THR CA C 226 62.538 61.852 0.686 1 1 838 . 9 1 1 A 84 84 THR CB C 226 70.389 69.247 1.142 1 1 840 . 9 1 1 A 84 84 THR N N 226 116.177 122.139 -5.962 1 1 841 . 9 1 1 A 85 85 LYS H H 227 7.829 8.899 -1.070 1 1 842 . 9 1 1 A 85 85 LYS HA H 227 5.085 4.708 0.377 1 1 847 . 9 1 1 A 85 85 LYS C C 227 174.884 175.021 -0.137 1 1 848 . 9 1 1 A 85 85 LYS CA C 227 54.338 56.027 -1.689 1 1 849 . 9 1 1 A 85 85 LYS CB C 227 34.154 32.149 2.005 1 1 853 . 9 1 1 A 85 85 LYS N N 227 125.540 127.340 -1.800 1 1 854 . 9 1 1 A 86 86 LEU H H 228 8.977 9.277 -0.300 1 1 855 . 9 1 1 A 86 86 LEU HA H 228 5.049 5.049 0.000 1 1 864 . 9 1 1 A 86 86 LEU C C 228 174.337 175.283 -0.946 1 1 865 . 9 1 1 A 86 86 LEU CA C 228 52.201 53.386 -1.185 1 1 866 . 9 1 1 A 86 86 LEU CB C 228 44.238 44.894 -0.656 1 1 867 . 9 1 1 A 86 86 LEU N N 228 125.294 126.449 -1.155 1 1 868 . 9 1 1 A 87 87 LEU H H 229 8.619 8.591 0.028 1 1 869 . 9 1 1 A 87 87 LEU HA H 229 5.244 5.321 -0.077 1 1 875 . 9 1 1 A 87 87 LEU C C 229 175.951 175.744 0.207 1 1 876 . 9 1 1 A 87 87 LEU CA C 229 53.857 53.668 0.189 1 1 877 . 9 1 1 A 87 87 LEU CB C 229 43.711 44.433 -0.722 1 1 878 . 9 1 1 A 87 87 LEU N N 229 128.223 127.244 0.979 1 1 879 . 9 1 1 A 88 88 VAL H H 230 9.291 8.899 0.392 1 1 880 . 9 1 1 A 88 88 VAL HA H 230 5.627 5.508 0.119 1 1 888 . 9 1 1 A 88 88 VAL C C 230 174.077 174.930 -0.853 1 1 889 . 9 1 1 A 88 88 VAL CA C 230 58.217 60.009 -1.792 1 1 890 . 9 1 1 A 88 88 VAL CB C 230 36.697 35.359 1.338 1 1 893 . 9 1 1 A 88 88 VAL N N 230 120.780 121.303 -0.523 1 1 894 . 9 1 1 A 89 89 VAL H H 231 8.241 8.562 -0.321 1 1 895 . 9 1 1 A 89 89 VAL HA H 231 4.814 4.776 0.038 1 1 903 . 9 1 1 A 89 89 VAL C C 231 174.661 173.684 0.977 1 1 904 . 9 1 1 A 89 89 VAL CA C 231 58.524 59.811 -1.287 1 1 905 . 9 1 1 A 89 89 VAL CB C 231 35.588 34.935 0.653 1 1 908 . 9 1 1 A 89 89 VAL N N 231 110.935 121.056 -10.121 1 1 909 . 9 1 1 A 90 90 ASP H H 232 7.841 8.649 -0.808 1 1 910 . 9 1 1 A 90 90 ASP HA H 232 4.883 4.728 0.155 1 1 913 . 9 1 1 A 90 90 ASP C C 232 175.406 176.813 -1.407 1 1 914 . 9 1 1 A 90 90 ASP CA C 232 52.420 53.110 -0.690 1 1 915 . 9 1 1 A 90 90 ASP CB C 232 41.621 40.611 1.010 1 1 916 . 9 1 1 A 90 90 ASP N N 232 122.442 124.199 -1.757 1 1 917 . 9 1 1 A 91 91 ARG H H 233 8.780 8.890 -0.110 1 1 918 . 9 1 1 A 91 91 ARG HA H 233 4.228 4.368 -0.140 1 1 921 . 9 1 1 A 91 91 ARG C C 233 177.865 178.567 -0.702 1 1 922 . 9 1 1 A 91 91 ARG CA C 233 58.821 58.230 0.591 1 1 923 . 9 1 1 A 91 91 ARG CB C 233 29.977 30.284 -0.307 1 1 925 . 9 1 1 A 91 91 ARG N N 233 120.292 127.236 -6.944 1 1 926 . 9 1 1 A 92 92 GLU H H 234 8.663 7.538 1.125 1 1 927 . 9 1 1 A 92 92 GLU HA H 234 4.071 4.071 0.000 1 1 932 . 9 1 1 A 92 92 GLU C C 234 178.395 179.463 -1.068 1 1 933 . 9 1 1 A 92 92 GLU CA C 234 59.115 59.323 -0.208 1 1 934 . 9 1 1 A 92 92 GLU CB C 234 29.131 29.652 -0.521 1 1 936 . 9 1 1 A 92 92 GLU N N 234 119.448 119.534 -0.086 1 1 937 . 9 1 1 A 93 93 THR H H 235 8.255 8.231 0.024 1 1 938 . 9 1 1 A 93 93 THR HA H 235 3.975 4.008 -0.033 1 1 943 . 9 1 1 A 93 93 THR C C 235 175.146 175.713 -0.567 1 1 944 . 9 1 1 A 93 93 THR CA C 235 65.516 66.694 -1.178 1 1 945 . 9 1 1 A 93 93 THR CB C 235 68.363 67.992 0.371 1 1 947 . 9 1 1 A 93 93 THR N N 235 117.260 116.713 0.547 1 1 948 . 9 1 1 A 94 94 ASP H H 236 8.302 8.425 -0.123 1 1 949 . 9 1 1 A 94 94 ASP HA H 236 4.557 4.486 0.071 1 1 952 . 9 1 1 A 94 94 ASP C C 236 177.739 177.614 0.125 1 1 953 . 9 1 1 A 94 94 ASP CA C 236 55.460 56.851 -1.391 1 1 954 . 9 1 1 A 94 94 ASP CB C 236 41.093 41.146 -0.053 1 1 955 . 9 1 1 A 94 94 ASP N N 236 122.075 121.389 0.686 1 1 956 . 9 1 1 A 95 95 GLU H H 237 8.084 8.104 -0.020 1 1 957 . 9 1 1 A 95 95 GLU HA H 237 4.032 4.380 -0.348 1 1 961 . 9 1 1 A 95 95 GLU C C 237 176.899 178.593 -1.694 1 1 962 . 9 1 1 A 95 95 GLU CA C 237 57.612 57.914 -0.302 1 1 963 . 9 1 1 A 95 95 GLU CB C 237 29.393 30.738 -1.345 1 1 965 . 9 1 1 A 95 95 GLU N N 237 117.733 117.219 0.514 1 1 966 . 9 1 1 A 96 96 PHE H H 238 7.927 8.288 -0.361 1 1 967 . 9 1 1 A 96 96 PHE HA H 238 4.363 4.318 0.045 1 1 974 . 9 1 1 A 96 96 PHE C C 238 175.655 177.187 -1.532 1 1 975 . 9 1 1 A 96 96 PHE CA C 238 59.139 61.654 -2.515 1 1 976 . 9 1 1 A 96 96 PHE CB C 238 39.723 39.855 -0.132 1 1 977 . 9 1 1 A 96 96 PHE N N 238 119.312 122.331 -3.019 1 1 978 . 9 1 1 A 97 97 PHE H H 239 7.896 8.359 -0.463 1 1 979 . 9 1 1 A 97 97 PHE HA H 239 4.506 4.225 0.281 1 1 986 . 9 1 1 A 97 97 PHE C C 239 174.173 177.376 -3.203 1 1 987 . 9 1 1 A 97 97 PHE CA C 239 58.034 61.835 -3.801 1 1 988 . 9 1 1 A 97 97 PHE CB C 239 39.447 39.097 0.350 1 1 989 . 9 1 1 A 97 97 PHE N N 239 119.260 120.180 -0.920 1 1 1 . 10 1 1 A 2 2 ILE HA H 144 4.171 4.943 -0.772 1 1 11 . 10 1 1 A 2 2 ILE C C 144 175.446 173.082 2.364 1 1 12 . 10 1 1 A 2 2 ILE CA C 144 60.547 58.897 1.650 1 1 13 . 10 1 1 A 2 2 ILE CB C 144 38.500 42.123 -3.623 1 1 17 . 10 1 1 A 3 3 ASP H H 145 8.584 8.645 -0.061 1 1 18 . 10 1 1 A 3 3 ASP HA H 145 4.879 4.603 0.276 1 1 21 . 10 1 1 A 3 3 ASP CA C 145 51.583 52.281 -0.698 1 1 22 . 10 1 1 A 3 3 ASP CB C 145 41.044 41.686 -0.642 1 1 23 . 10 1 1 A 3 3 ASP N N 145 127.098 128.330 -1.232 1 1 24 . 10 1 1 A 4 4 PRO HA H 146 4.290 4.401 -0.111 1 1 31 . 10 1 1 A 4 4 PRO C C 146 176.840 178.399 -1.559 1 1 32 . 10 1 1 A 4 4 PRO CA C 146 63.386 65.828 -2.442 1 1 33 . 10 1 1 A 4 4 PRO CB C 146 31.799 31.677 0.122 1 1 36 . 10 1 1 A 5 5 PHE H H 147 8.323 8.158 0.165 1 1 37 . 10 1 1 A 5 5 PHE HA H 147 4.550 4.487 0.063 1 1 44 . 10 1 1 A 5 5 PHE C C 147 176.081 175.254 0.827 1 1 45 . 10 1 1 A 5 5 PHE CA C 147 58.224 60.174 -1.950 1 1 46 . 10 1 1 A 5 5 PHE CB C 147 38.571 41.104 -2.533 1 1 47 . 10 1 1 A 5 5 PHE N N 147 118.510 117.860 0.650 1 1 48 . 10 1 1 A 6 6 THR H H 148 7.769 7.667 0.102 1 1 49 . 10 1 1 A 6 6 THR HA H 148 4.195 4.597 -0.402 1 1 54 . 10 1 1 A 6 6 THR C C 148 173.870 172.998 0.872 1 1 55 . 10 1 1 A 6 6 THR CA C 148 62.114 61.324 0.790 1 1 56 . 10 1 1 A 6 6 THR CB C 148 69.325 70.590 -1.265 1 1 58 . 10 1 1 A 6 6 THR N N 148 114.321 107.237 7.084 1 1 59 . 10 1 1 A 7 7 MET H H 149 8.101 8.797 -0.696 1 1 60 . 10 1 1 A 7 7 MET HA H 149 4.438 4.696 -0.258 1 1 65 . 10 1 1 A 7 7 MET C C 149 175.544 176.337 -0.793 1 1 66 . 10 1 1 A 7 7 MET CA C 149 55.218 56.409 -1.191 1 1 67 . 10 1 1 A 7 7 MET CB C 149 32.224 34.589 -2.365 1 1 69 . 10 1 1 A 7 7 MET N N 149 121.779 120.914 0.865 1 1 70 . 10 1 1 A 8 8 LEU H H 150 8.110 8.052 0.058 1 1 71 . 10 1 1 A 8 8 LEU HA H 150 4.467 4.574 -0.107 1 1 81 . 10 1 1 A 8 8 LEU C C 150 175.439 176.109 -0.670 1 1 82 . 10 1 1 A 8 8 LEU CA C 150 54.333 54.299 0.034 1 1 83 . 10 1 1 A 8 8 LEU CB C 150 40.631 44.312 -3.681 1 1 86 . 10 1 1 A 8 8 LEU N N 150 123.383 118.161 5.222 1 1 87 . 10 1 1 A 9 9 ARG H H 151 7.900 7.396 0.504 1 1 88 . 10 1 1 A 9 9 ARG HA H 151 4.769 4.496 0.273 1 1 93 . 10 1 1 A 9 9 ARG CA C 151 52.792 55.335 -2.543 1 1 94 . 10 1 1 A 9 9 ARG CB C 151 30.717 30.551 0.166 1 1 96 . 10 1 1 A 9 9 ARG N N 151 119.907 118.168 1.739 1 1 97 . 10 1 1 A 10 10 PRO HA H 152 4.546 4.587 -0.041 1 1 104 . 10 1 1 A 10 10 PRO C C 152 175.520 175.248 0.272 1 1 105 . 10 1 1 A 10 10 PRO CA C 152 62.580 62.442 0.138 1 1 106 . 10 1 1 A 10 10 PRO CB C 152 31.507 32.886 -1.379 1 1 109 . 10 1 1 A 11 11 ARG H H 153 8.987 9.007 -0.020 1 1 110 . 10 1 1 A 11 11 ARG HA H 153 4.462 4.774 -0.312 1 1 113 . 10 1 1 A 11 11 ARG C C 153 173.260 174.249 -0.989 1 1 114 . 10 1 1 A 11 11 ARG CA C 153 54.652 54.229 0.423 1 1 115 . 10 1 1 A 11 11 ARG CB C 153 32.449 34.672 -2.223 1 1 116 . 10 1 1 A 11 11 ARG N N 153 122.642 120.773 1.869 1 1 117 . 10 1 1 A 12 12 LEU H H 154 8.675 8.525 0.150 1 1 118 . 10 1 1 A 12 12 LEU HA H 154 4.926 4.880 0.046 1 1 127 . 10 1 1 A 12 12 LEU C C 154 176.282 175.022 1.260 1 1 128 . 10 1 1 A 12 12 LEU CA C 154 53.222 54.089 -0.867 1 1 129 . 10 1 1 A 12 12 LEU CB C 154 42.382 44.027 -1.645 1 1 132 . 10 1 1 A 12 12 LEU N N 154 125.776 123.407 2.369 1 1 133 . 10 1 1 A 13 13 CYS H H 155 9.509 9.585 -0.076 1 1 134 . 10 1 1 A 13 13 CYS HA H 155 4.762 5.325 -0.563 1 1 137 . 10 1 1 A 13 13 CYS C C 155 173.211 173.273 -0.062 1 1 138 . 10 1 1 A 13 13 CYS CA C 155 57.646 57.051 0.595 1 1 139 . 10 1 1 A 13 13 CYS CB C 155 28.495 30.640 -2.145 1 1 140 . 10 1 1 A 13 13 CYS N N 155 130.053 126.650 3.403 1 1 141 . 10 1 1 A 14 14 THR H H 156 8.979 9.611 -0.632 1 1 142 . 10 1 1 A 14 14 THR HA H 156 4.927 5.035 -0.108 1 1 147 . 10 1 1 A 14 14 THR C C 156 172.990 173.630 -0.640 1 1 148 . 10 1 1 A 14 14 THR CA C 156 61.216 61.584 -0.368 1 1 149 . 10 1 1 A 14 14 THR CB C 156 69.306 70.933 -1.627 1 1 151 . 10 1 1 A 14 14 THR N N 156 122.811 120.903 1.908 1 1 152 . 10 1 1 A 15 15 MET H H 157 8.889 8.749 0.140 1 1 153 . 10 1 1 A 15 15 MET HA H 157 5.006 5.308 -0.302 1 1 157 . 10 1 1 A 15 15 MET C C 157 176.000 174.894 1.106 1 1 158 . 10 1 1 A 15 15 MET CA C 157 54.167 53.392 0.775 1 1 159 . 10 1 1 A 15 15 MET CB C 157 39.030 34.236 4.794 1 1 160 . 10 1 1 A 15 15 MET N N 157 121.855 124.393 -2.538 1 1 161 . 10 1 1 A 16 16 LYS H H 158 8.614 8.902 -0.288 1 1 162 . 10 1 1 A 16 16 LYS HA H 158 5.262 4.579 0.683 1 1 167 . 10 1 1 A 16 16 LYS C C 158 175.677 177.126 -1.449 1 1 168 . 10 1 1 A 16 16 LYS CA C 158 54.283 55.817 -1.534 1 1 169 . 10 1 1 A 16 16 LYS CB C 158 34.677 32.856 1.821 1 1 172 . 10 1 1 A 16 16 LYS N N 158 122.373 123.401 -1.028 1 1 173 . 10 1 1 A 17 17 LYS H H 159 8.519 9.703 -1.184 1 1 174 . 10 1 1 A 17 17 LYS HA H 159 3.208 3.985 -0.777 1 1 179 . 10 1 1 A 17 17 LYS C C 159 176.799 176.311 0.488 1 1 180 . 10 1 1 A 17 17 LYS CA C 159 58.532 59.348 -0.816 1 1 181 . 10 1 1 A 17 17 LYS CB C 159 33.471 32.255 1.216 1 1 184 . 10 1 1 A 17 17 LYS N N 159 123.623 127.270 -3.647 1 1 185 . 10 1 1 A 18 18 GLY H H 160 7.222 7.741 -0.519 1 1 186 . 10 1 1 A 18 18 GLY HA2 H 160 4.578 3.959 0.619 1 1 187 . 10 1 1 A 18 18 GLY HA3 H 160 3.950 3.962 -0.012 1 1 188 . 10 1 1 A 18 18 GLY CA C 160 44.160 44.991 -0.831 1 1 189 . 10 1 1 A 18 18 GLY N N 160 111.304 107.152 4.152 1 1 190 . 10 1 1 A 19 19 PRO HA H 161 4.307 4.491 -0.184 1 1 197 . 10 1 1 A 19 19 PRO C C 161 177.523 176.998 0.525 1 1 198 . 10 1 1 A 19 19 PRO CA C 161 64.766 64.046 0.720 1 1 199 . 10 1 1 A 19 19 PRO CB C 161 31.509 32.376 -0.867 1 1 202 . 10 1 1 A 20 20 SER H H 162 8.462 7.208 1.254 1 1 203 . 10 1 1 A 20 20 SER HA H 162 4.708 4.456 0.252 1 1 206 . 10 1 1 A 20 20 SER C C 162 173.887 174.305 -0.418 1 1 207 . 10 1 1 A 20 20 SER CA C 162 56.541 58.698 -2.157 1 1 208 . 10 1 1 A 20 20 SER CB C 162 63.086 65.073 -1.987 1 1 209 . 10 1 1 A 20 20 SER N N 162 111.594 112.273 -0.679 1 1 210 . 10 1 1 A 21 21 GLY H H 163 7.730 7.824 -0.094 1 1 211 . 10 1 1 A 21 21 GLY HA2 H 163 4.477 3.687 0.790 1 1 212 . 10 1 1 A 21 21 GLY HA3 H 163 3.242 3.855 -0.613 1 1 213 . 10 1 1 A 21 21 GLY CA C 163 43.895 45.003 -1.108 1 1 214 . 10 1 1 A 21 21 GLY N N 163 108.656 109.245 -0.589 1 1 215 . 10 1 1 A 22 22 TYR H H 164 7.210 8.405 -1.195 1 1 216 . 10 1 1 A 22 22 TYR HA H 164 4.366 4.271 0.095 1 1 223 . 10 1 1 A 22 22 TYR C C 164 176.198 176.358 -0.160 1 1 224 . 10 1 1 A 22 22 TYR CA C 164 60.930 59.728 1.202 1 1 225 . 10 1 1 A 22 22 TYR CB C 164 40.660 39.218 1.442 1 1 226 . 10 1 1 A 23 23 GLY H H 165 8.600 8.808 -0.208 1 1 227 . 10 1 1 A 23 23 GLY HA2 H 165 4.511 3.922 0.589 1 1 228 . 10 1 1 A 23 23 GLY HA3 H 165 3.886 3.980 -0.094 1 1 229 . 10 1 1 A 23 23 GLY C C 165 172.930 173.643 -0.713 1 1 230 . 10 1 1 A 23 23 GLY CA C 165 45.013 46.139 -1.126 1 1 231 . 10 1 1 A 23 23 GLY N N 165 103.183 108.044 -4.861 1 1 232 . 10 1 1 A 24 24 PHE H H 166 6.855 7.984 -1.129 1 1 233 . 10 1 1 A 24 24 PHE HA H 166 5.629 5.219 0.410 1 1 241 . 10 1 1 A 24 24 PHE C C 166 172.417 173.013 -0.596 1 1 242 . 10 1 1 A 24 24 PHE CA C 166 54.693 56.040 -1.347 1 1 243 . 10 1 1 A 24 24 PHE CB C 166 42.235 41.393 0.842 1 1 244 . 10 1 1 A 24 24 PHE N N 166 111.547 115.045 -3.498 1 1 245 . 10 1 1 A 25 25 ASN H H 167 8.121 9.513 -1.392 1 1 246 . 10 1 1 A 25 25 ASN HA H 167 5.097 5.373 -0.276 1 1 251 . 10 1 1 A 25 25 ASN C C 167 174.068 174.269 -0.201 1 1 252 . 10 1 1 A 25 25 ASN CA C 167 51.521 52.212 -0.691 1 1 253 . 10 1 1 A 25 25 ASN CB C 167 41.155 42.748 -1.593 1 1 254 . 10 1 1 A 25 25 ASN N N 167 117.619 117.376 0.243 1 1 256 . 10 1 1 A 26 26 LEU H H 168 9.287 8.708 0.579 1 1 257 . 10 1 1 A 26 26 LEU HA H 168 5.369 4.948 0.421 1 1 266 . 10 1 1 A 26 26 LEU C C 168 176.491 175.506 0.985 1 1 267 . 10 1 1 A 26 26 LEU CA C 168 54.171 53.648 0.523 1 1 268 . 10 1 1 A 26 26 LEU CB C 168 44.783 45.744 -0.961 1 1 272 . 10 1 1 A 26 26 LEU N N 168 123.933 120.578 3.355 1 1 273 . 10 1 1 A 27 27 HIS H H 169 9.466 8.625 0.841 1 1 274 . 10 1 1 A 27 27 HIS HA H 169 4.922 5.796 -0.874 1 1 276 . 10 1 1 A 27 27 HIS CA C 169 56.019 53.570 2.449 1 1 277 . 10 1 1 A 27 27 HIS CB C 169 33.352 33.611 -0.259 1 1 278 . 10 1 1 A 27 27 HIS N N 169 119.976 119.209 0.767 1 1 279 . 10 1 1 A 28 28 SER HA H 170 4.703 5.142 -0.439 1 1 282 . 10 1 1 A 28 28 SER C C 170 172.451 173.141 -0.690 1 1 283 . 10 1 1 A 28 28 SER CA C 170 57.104 56.546 0.558 1 1 284 . 10 1 1 A 28 28 SER CB C 170 63.937 64.964 -1.027 1 1 285 . 10 1 1 A 29 29 ASP H H 171 9.230 9.052 0.178 1 1 286 . 10 1 1 A 29 29 ASP HA H 171 4.591 4.745 -0.154 1 1 289 . 10 1 1 A 29 29 ASP CA C 171 53.406 55.704 -2.298 1 1 290 . 10 1 1 A 29 29 ASP CB C 171 43.831 43.024 0.807 1 1 291 . 10 1 1 A 29 29 ASP N N 171 123.447 124.569 -1.122 1 1 292 . 10 1 1 A 30 30 LYS HA H 172 4.148 4.601 -0.453 1 1 298 . 10 1 1 A 30 30 LYS C C 172 176.768 176.768 0.000 1 1 299 . 10 1 1 A 30 30 LYS CA C 172 57.755 55.190 2.565 1 1 300 . 10 1 1 A 30 30 LYS CB C 172 31.872 33.716 -1.844 1 1 301 . 10 1 1 A 31 31 SER H H 173 8.803 8.769 0.034 1 1 302 . 10 1 1 A 31 31 SER HA H 173 4.419 4.788 -0.369 1 1 304 . 10 1 1 A 31 31 SER C C 173 173.570 174.705 -1.135 1 1 305 . 10 1 1 A 31 31 SER CA C 173 59.354 57.979 1.375 1 1 306 . 10 1 1 A 31 31 SER CB C 173 64.113 63.647 0.466 1 1 307 . 10 1 1 A 31 31 SER N N 173 115.001 117.384 -2.383 1 1 308 . 10 1 1 A 32 32 LYS H H 174 7.893 7.839 0.054 1 1 309 . 10 1 1 A 32 32 LYS HA H 174 4.804 4.386 0.418 1 1 316 . 10 1 1 A 32 32 LYS CA C 174 53.258 58.505 -5.247 1 1 317 . 10 1 1 A 32 32 LYS CB C 174 33.448 33.788 -0.340 1 1 321 . 10 1 1 A 32 32 LYS N N 174 122.863 120.716 2.147 1 1 322 . 10 1 1 A 33 33 PRO HA H 175 4.592 4.335 0.257 1 1 329 . 10 1 1 A 33 33 PRO C C 175 176.188 176.854 -0.666 1 1 330 . 10 1 1 A 33 33 PRO CA C 175 62.823 65.668 -2.845 1 1 331 . 10 1 1 A 33 33 PRO CB C 175 32.076 31.537 0.539 1 1 334 . 10 1 1 A 34 34 GLY H H 176 8.328 7.491 0.837 1 1 335 . 10 1 1 A 34 34 GLY HA2 H 176 4.179 3.936 0.243 1 1 336 . 10 1 1 A 34 34 GLY HA3 H 176 3.713 4.059 -0.346 1 1 337 . 10 1 1 A 34 34 GLY C C 176 172.298 170.895 1.403 1 1 338 . 10 1 1 A 34 34 GLY CA C 176 43.770 45.158 -1.388 1 1 339 . 10 1 1 A 34 34 GLY N N 176 108.419 103.075 5.344 1 1 340 . 10 1 1 A 35 35 GLN H H 177 8.673 8.189 0.484 1 1 341 . 10 1 1 A 35 35 GLN HA H 177 4.761 5.084 -0.323 1 1 347 . 10 1 1 A 35 35 GLN C C 177 173.569 174.274 -0.705 1 1 348 . 10 1 1 A 35 35 GLN CA C 177 53.731 54.494 -0.763 1 1 349 . 10 1 1 A 35 35 GLN CB C 177 29.555 32.296 -2.741 1 1 351 . 10 1 1 A 35 35 GLN N N 177 117.933 120.667 -2.734 1 1 353 . 10 1 1 A 36 36 PHE H H 178 8.799 8.890 -0.091 1 1 354 . 10 1 1 A 36 36 PHE HA H 178 5.447 4.972 0.475 1 1 361 . 10 1 1 A 36 36 PHE C C 178 175.427 174.854 0.573 1 1 362 . 10 1 1 A 36 36 PHE CA C 178 55.349 56.828 -1.479 1 1 363 . 10 1 1 A 36 36 PHE CB C 178 42.486 43.074 -0.588 1 1 364 . 10 1 1 A 36 36 PHE N N 178 120.404 123.752 -3.348 1 1 365 . 10 1 1 A 37 37 ILE H H 179 9.203 8.514 0.689 1 1 366 . 10 1 1 A 37 37 ILE HA H 179 4.322 4.206 0.116 1 1 376 . 10 1 1 A 37 37 ILE C C 179 176.207 176.964 -0.757 1 1 377 . 10 1 1 A 37 37 ILE CA C 179 58.611 60.775 -2.164 1 1 378 . 10 1 1 A 37 37 ILE CB C 179 34.911 38.126 -3.215 1 1 380 . 10 1 1 A 37 37 ILE N N 179 120.720 122.542 -1.822 1 1 381 . 10 1 1 A 38 38 ARG H H 180 9.453 9.035 0.418 1 1 382 . 10 1 1 A 38 38 ARG HA H 180 3.951 4.768 -0.817 1 1 389 . 10 1 1 A 38 38 ARG C C 180 175.332 176.239 -0.907 1 1 390 . 10 1 1 A 38 38 ARG CA C 180 58.035 57.050 0.985 1 1 391 . 10 1 1 A 38 38 ARG CB C 180 30.593 31.640 -1.047 1 1 393 . 10 1 1 A 38 38 ARG N N 180 132.453 124.487 7.966 1 1 394 . 10 1 1 A 39 39 SER H H 181 7.529 7.701 -0.172 1 1 395 . 10 1 1 A 39 39 SER HA H 181 4.553 4.781 -0.228 1 1 397 . 10 1 1 A 39 39 SER C C 181 170.792 172.232 -1.440 1 1 398 . 10 1 1 A 39 39 SER CA C 181 56.629 57.452 -0.823 1 1 399 . 10 1 1 A 39 39 SER CB C 181 64.756 65.463 -0.707 1 1 400 . 10 1 1 A 39 39 SER N N 181 109.145 113.397 -4.252 1 1 401 . 10 1 1 A 40 40 VAL H H 182 8.595 8.553 0.042 1 1 402 . 10 1 1 A 40 40 VAL HA H 182 4.609 4.852 -0.243 1 1 410 . 10 1 1 A 40 40 VAL C C 182 175.150 174.109 1.041 1 1 411 . 10 1 1 A 40 40 VAL CA C 182 60.603 60.644 -0.041 1 1 412 . 10 1 1 A 40 40 VAL CB C 182 34.480 35.856 -1.376 1 1 415 . 10 1 1 A 40 40 VAL N N 182 119.939 122.670 -2.731 1 1 416 . 10 1 1 A 41 41 ASP H H 183 9.410 9.636 -0.226 1 1 417 . 10 1 1 A 41 41 ASP HA H 183 4.770 5.025 -0.255 1 1 420 . 10 1 1 A 41 41 ASP CA C 183 52.418 51.059 1.359 1 1 421 . 10 1 1 A 41 41 ASP CB C 183 39.357 42.142 -2.785 1 1 422 . 10 1 1 A 41 41 ASP N N 183 129.870 127.646 2.224 1 1 423 . 10 1 1 A 42 42 PRO HA H 184 4.551 4.345 0.206 1 1 429 . 10 1 1 A 42 42 PRO C C 184 176.520 177.090 -0.570 1 1 430 . 10 1 1 A 42 42 PRO CA C 184 62.915 63.799 -0.884 1 1 431 . 10 1 1 A 42 42 PRO CB C 184 31.844 31.860 -0.016 1 1 434 . 10 1 1 A 43 43 ASP H H 185 9.250 8.950 0.300 1 1 435 . 10 1 1 A 43 43 ASP HA H 185 4.356 4.337 0.019 1 1 438 . 10 1 1 A 43 43 ASP C C 185 173.959 174.748 -0.789 1 1 439 . 10 1 1 A 43 43 ASP CA C 185 55.638 55.662 -0.024 1 1 440 . 10 1 1 A 43 43 ASP CB C 185 39.100 40.414 -1.314 1 1 441 . 10 1 1 A 43 43 ASP N N 185 118.710 122.360 -3.650 1 1 442 . 10 1 1 A 44 44 SER H H 186 7.336 7.703 -0.367 1 1 443 . 10 1 1 A 44 44 SER HA H 186 4.953 4.809 0.144 1 1 445 . 10 1 1 A 44 44 SER CA C 186 56.329 56.582 -0.253 1 1 446 . 10 1 1 A 44 44 SER CB C 186 65.440 63.676 1.764 1 1 447 . 10 1 1 A 44 44 SER N N 186 111.769 114.942 -3.173 1 1 448 . 10 1 1 A 45 45 PRO HA H 187 4.522 4.148 0.374 1 1 455 . 10 1 1 A 45 45 PRO C C 187 179.929 178.120 1.809 1 1 456 . 10 1 1 A 45 45 PRO CA C 187 65.133 65.561 -0.428 1 1 457 . 10 1 1 A 45 45 PRO CB C 187 32.682 31.670 1.012 1 1 459 . 10 1 1 A 46 46 ALA H H 188 8.492 7.995 0.497 1 1 460 . 10 1 1 A 46 46 ALA HA H 188 4.378 3.961 0.417 1 1 464 . 10 1 1 A 46 46 ALA C C 188 175.528 180.133 -4.605 1 1 465 . 10 1 1 A 46 46 ALA CA C 188 54.584 55.372 -0.788 1 1 466 . 10 1 1 A 46 46 ALA CB C 188 19.714 18.199 1.515 1 1 467 . 10 1 1 A 46 46 ALA N N 188 118.684 118.632 0.052 1 1 468 . 10 1 1 A 47 47 GLU H H 189 8.266 8.095 0.171 1 1 469 . 10 1 1 A 47 47 GLU HA H 189 3.881 3.993 -0.112 1 1 472 . 10 1 1 A 47 47 GLU C C 189 173.891 178.192 -4.301 1 1 473 . 10 1 1 A 47 47 GLU CA C 189 59.881 59.354 0.527 1 1 474 . 10 1 1 A 47 47 GLU CB C 189 29.830 29.631 0.199 1 1 475 . 10 1 1 A 47 47 GLU N N 189 122.834 118.442 4.392 1 1 476 . 10 1 1 A 48 48 ALA H H 190 8.378 8.518 -0.140 1 1 477 . 10 1 1 A 48 48 ALA HA H 190 4.228 4.074 0.154 1 1 481 . 10 1 1 A 48 48 ALA C C 190 178.612 179.840 -1.228 1 1 482 . 10 1 1 A 48 48 ALA CA C 190 54.522 54.989 -0.467 1 1 483 . 10 1 1 A 48 48 ALA CB C 190 17.980 18.290 -0.310 1 1 484 . 10 1 1 A 48 48 ALA N N 190 122.847 122.124 0.723 1 1 485 . 10 1 1 A 49 49 SER H H 191 7.949 7.347 0.602 1 1 486 . 10 1 1 A 49 49 SER HA H 191 4.544 4.501 0.043 1 1 489 . 10 1 1 A 49 49 SER C C 191 174.409 174.637 -0.228 1 1 490 . 10 1 1 A 49 49 SER CA C 191 59.717 58.648 1.069 1 1 491 . 10 1 1 A 49 49 SER CB C 191 64.762 63.626 1.136 1 1 492 . 10 1 1 A 49 49 SER N N 191 112.314 110.675 1.639 1 1 493 . 10 1 1 A 50 50 GLY H H 192 7.604 8.201 -0.597 1 1 494 . 10 1 1 A 50 50 GLY HA2 H 192 4.427 4.075 0.352 1 1 495 . 10 1 1 A 50 50 GLY HA3 H 192 3.714 4.088 -0.374 1 1 496 . 10 1 1 A 50 50 GLY C C 192 173.516 174.504 -0.988 1 1 497 . 10 1 1 A 50 50 GLY CA C 192 44.654 45.088 -0.434 1 1 498 . 10 1 1 A 50 50 GLY N N 192 107.849 108.848 -0.999 1 1 499 . 10 1 1 A 51 51 LEU H H 193 7.268 8.328 -1.060 1 1 500 . 10 1 1 A 51 51 LEU HA H 193 3.969 4.581 -0.612 1 1 510 . 10 1 1 A 51 51 LEU C C 193 174.799 175.820 -1.021 1 1 511 . 10 1 1 A 51 51 LEU CA C 193 55.198 54.880 0.318 1 1 512 . 10 1 1 A 51 51 LEU CB C 193 43.724 42.976 0.748 1 1 515 . 10 1 1 A 51 51 LEU N N 193 124.317 123.234 1.083 1 1 516 . 10 1 1 A 52 52 ARG H H 194 8.891 8.604 0.287 1 1 517 . 10 1 1 A 52 52 ARG HA H 194 4.613 5.005 -0.392 1 1 521 . 10 1 1 A 52 52 ARG C C 194 174.936 175.607 -0.671 1 1 522 . 10 1 1 A 52 52 ARG CA C 194 54.127 54.014 0.113 1 1 523 . 10 1 1 A 52 52 ARG CB C 194 34.156 34.092 0.064 1 1 524 . 10 1 1 A 52 52 ARG N N 194 124.468 125.142 -0.674 1 1 525 . 10 1 1 A 53 53 ALA H H 195 8.677 8.588 0.089 1 1 526 . 10 1 1 A 53 53 ALA HA H 195 3.682 4.073 -0.391 1 1 530 . 10 1 1 A 53 53 ALA C C 195 178.524 178.217 0.307 1 1 531 . 10 1 1 A 53 53 ALA CA C 195 53.523 52.686 0.837 1 1 532 . 10 1 1 A 53 53 ALA CB C 195 17.963 19.296 -1.333 1 1 533 . 10 1 1 A 53 53 ALA N N 195 122.213 126.941 -4.728 1 1 534 . 10 1 1 A 54 54 GLN H H 196 9.490 9.200 0.290 1 1 535 . 10 1 1 A 54 54 GLN HA H 196 4.032 4.239 -0.207 1 1 541 . 10 1 1 A 54 54 GLN C C 196 174.503 174.492 0.011 1 1 542 . 10 1 1 A 54 54 GLN CA C 196 58.036 57.767 0.269 1 1 543 . 10 1 1 A 54 54 GLN CB C 196 26.208 27.123 -0.915 1 1 544 . 10 1 1 A 54 54 GLN N N 196 115.882 115.873 0.009 1 1 546 . 10 1 1 A 55 55 ASP H H 197 7.798 7.698 0.100 1 1 547 . 10 1 1 A 55 55 ASP HA H 197 4.757 5.251 -0.494 1 1 550 . 10 1 1 A 55 55 ASP C C 197 174.629 175.950 -1.321 1 1 551 . 10 1 1 A 55 55 ASP CA C 197 55.315 54.126 1.189 1 1 552 . 10 1 1 A 55 55 ASP CB C 197 41.416 41.756 -0.340 1 1 553 . 10 1 1 A 55 55 ASP N N 197 121.039 119.142 1.897 1 1 554 . 10 1 1 A 56 56 ARG H H 198 8.938 8.667 0.271 1 1 555 . 10 1 1 A 56 56 ARG HA H 198 4.430 4.639 -0.209 1 1 557 . 10 1 1 A 56 56 ARG C C 198 174.400 175.362 -0.962 1 1 558 . 10 1 1 A 56 56 ARG CA C 198 54.273 55.923 -1.650 1 1 559 . 10 1 1 A 56 56 ARG CB C 198 32.499 30.843 1.656 1 1 560 . 10 1 1 A 56 56 ARG N N 198 122.032 122.469 -0.437 1 1 561 . 10 1 1 A 57 57 ILE H H 199 8.179 8.673 -0.494 1 1 562 . 10 1 1 A 57 57 ILE HA H 199 3.746 4.087 -0.341 1 1 572 . 10 1 1 A 57 57 ILE C C 199 174.272 175.719 -1.447 1 1 573 . 10 1 1 A 57 57 ILE CA C 199 62.349 62.106 0.243 1 1 574 . 10 1 1 A 57 57 ILE CB C 199 38.071 37.497 0.574 1 1 578 . 10 1 1 A 57 57 ILE N N 199 124.246 126.060 -1.814 1 1 579 . 10 1 1 A 58 58 VAL H H 200 9.389 9.514 -0.125 1 1 580 . 10 1 1 A 58 58 VAL HA H 200 4.107 4.105 0.002 1 1 588 . 10 1 1 A 58 58 VAL C C 200 176.755 176.180 0.575 1 1 589 . 10 1 1 A 58 58 VAL CA C 200 63.067 63.642 -0.575 1 1 590 . 10 1 1 A 58 58 VAL CB C 200 32.894 32.975 -0.081 1 1 592 . 10 1 1 A 58 58 VAL N N 200 127.780 127.700 0.080 1 1 593 . 10 1 1 A 59 59 GLU H H 201 7.850 7.522 0.328 1 1 594 . 10 1 1 A 59 59 GLU HA H 201 5.126 4.831 0.295 1 1 598 . 10 1 1 A 59 59 GLU C C 201 175.123 173.740 1.383 1 1 599 . 10 1 1 A 59 59 GLU CA C 201 54.610 54.882 -0.272 1 1 600 . 10 1 1 A 59 59 GLU CB C 201 34.407 32.611 1.796 1 1 602 . 10 1 1 A 59 59 GLU N N 201 116.847 116.027 0.820 1 1 603 . 10 1 1 A 60 60 VAL H H 202 8.110 8.263 -0.153 1 1 604 . 10 1 1 A 60 60 VAL HA H 202 4.433 4.425 0.008 1 1 612 . 10 1 1 A 60 60 VAL C C 202 175.772 176.179 -0.407 1 1 613 . 10 1 1 A 60 60 VAL CA C 202 60.952 61.478 -0.526 1 1 614 . 10 1 1 A 60 60 VAL CB C 202 33.802 34.182 -0.380 1 1 616 . 10 1 1 A 60 60 VAL N N 202 118.751 119.238 -0.487 1 1 617 . 10 1 1 A 61 61 ASN H H 203 9.900 9.945 -0.045 1 1 618 . 10 1 1 A 61 61 ASN HA H 203 4.312 4.396 -0.084 1 1 621 . 10 1 1 A 61 61 ASN C C 203 174.718 174.467 0.251 1 1 622 . 10 1 1 A 61 61 ASN CA C 203 54.260 54.118 0.142 1 1 623 . 10 1 1 A 61 61 ASN CB C 203 36.965 37.449 -0.484 1 1 624 . 10 1 1 A 61 61 ASN N N 203 128.765 125.739 3.026 1 1 625 . 10 1 1 A 62 62 GLY H H 204 9.192 7.804 1.388 1 1 626 . 10 1 1 A 62 62 GLY HA2 H 204 3.979 3.901 0.078 1 1 627 . 10 1 1 A 62 62 GLY HA3 H 204 3.734 3.902 -0.168 1 1 628 . 10 1 1 A 62 62 GLY C C 204 173.240 174.525 -1.285 1 1 629 . 10 1 1 A 62 62 GLY CA C 204 44.996 45.035 -0.039 1 1 630 . 10 1 1 A 62 62 GLY N N 204 103.295 104.632 -1.337 1 1 631 . 10 1 1 A 63 63 VAL H H 205 7.792 7.400 0.392 1 1 632 . 10 1 1 A 63 63 VAL HA H 205 4.085 4.175 -0.090 1 1 637 . 10 1 1 A 63 63 VAL C C 205 174.605 174.620 -0.015 1 1 638 . 10 1 1 A 63 63 VAL CA C 205 61.373 61.333 0.040 1 1 639 . 10 1 1 A 63 63 VAL CB C 205 32.623 31.124 1.499 1 1 642 . 10 1 1 A 63 63 VAL N N 205 122.193 119.565 2.628 1 1 643 . 10 1 1 A 64 64 CYS H H 206 8.878 8.549 0.329 1 1 644 . 10 1 1 A 64 64 CYS HA H 206 4.265 4.641 -0.376 1 1 647 . 10 1 1 A 64 64 CYS C C 206 176.086 173.977 2.109 1 1 648 . 10 1 1 A 64 64 CYS CA C 206 61.148 58.424 2.724 1 1 649 . 10 1 1 A 64 64 CYS CB C 206 27.938 27.890 0.048 1 1 650 . 10 1 1 A 64 64 CYS N N 206 128.575 127.428 1.147 1 1 651 . 10 1 1 A 65 65 MET H H 207 8.413 8.509 -0.096 1 1 652 . 10 1 1 A 65 65 MET HA H 207 4.877 5.119 -0.242 1 1 654 . 10 1 1 A 65 65 MET CA C 207 52.697 54.399 -1.702 1 1 655 . 10 1 1 A 65 65 MET CB C 207 33.908 35.016 -1.108 1 1 656 . 10 1 1 A 65 65 MET N N 207 125.926 126.972 -1.046 1 1 657 . 10 1 1 A 66 66 GLU H H 208 8.768 8.743 0.025 1 1 658 . 10 1 1 A 66 66 GLU HA H 208 4.187 4.018 0.169 1 1 662 . 10 1 1 A 66 66 GLU C C 208 177.644 177.224 0.420 1 1 663 . 10 1 1 A 66 66 GLU CA C 208 58.586 58.121 0.465 1 1 664 . 10 1 1 A 66 66 GLU CB C 208 28.916 29.585 -0.669 1 1 665 . 10 1 1 A 67 67 GLY H H 209 9.144 8.966 0.178 1 1 666 . 10 1 1 A 67 67 GLY HA2 H 209 4.156 3.895 0.261 1 1 667 . 10 1 1 A 67 67 GLY HA3 H 209 3.746 3.904 -0.158 1 1 668 . 10 1 1 A 67 67 GLY C C 209 173.880 174.619 -0.739 1 1 669 . 10 1 1 A 67 67 GLY CA C 209 45.339 45.282 0.057 1 1 670 . 10 1 1 A 67 67 GLY N N 209 114.503 115.051 -0.548 1 1 671 . 10 1 1 A 68 68 LYS H H 210 7.585 7.181 0.404 1 1 672 . 10 1 1 A 68 68 LYS HA H 210 4.550 4.226 0.324 1 1 675 . 10 1 1 A 68 68 LYS C C 210 176.239 175.839 0.400 1 1 676 . 10 1 1 A 68 68 LYS CA C 210 54.802 56.495 -1.693 1 1 677 . 10 1 1 A 68 68 LYS CB C 210 32.493 33.755 -1.262 1 1 679 . 10 1 1 A 68 68 LYS N N 210 119.299 120.599 -1.300 1 1 680 . 10 1 1 A 69 69 GLN H H 211 9.176 8.817 0.359 1 1 681 . 10 1 1 A 69 69 GLN HA H 211 4.534 4.488 0.046 1 1 688 . 10 1 1 A 69 69 GLN C C 211 176.499 177.440 -0.941 1 1 689 . 10 1 1 A 69 69 GLN CA C 211 54.286 54.767 -0.481 1 1 690 . 10 1 1 A 69 69 GLN CB C 211 30.414 29.666 0.748 1 1 692 . 10 1 1 A 69 69 GLN N N 211 119.518 120.105 -0.587 1 1 694 . 10 1 1 A 70 70 HIS H H 212 9.097 9.127 -0.030 1 1 695 . 10 1 1 A 70 70 HIS HA H 212 3.866 4.083 -0.217 1 1 698 . 10 1 1 A 70 70 HIS C C 212 176.987 177.102 -0.115 1 1 699 . 10 1 1 A 70 70 HIS CA C 212 61.326 59.611 1.715 1 1 700 . 10 1 1 A 70 70 HIS CB C 212 30.480 30.484 -0.004 1 1 701 . 10 1 1 A 70 70 HIS N N 212 122.474 123.054 -0.580 1 1 702 . 10 1 1 A 71 71 GLY H H 213 9.138 8.569 0.569 1 1 703 . 10 1 1 A 71 71 GLY HA2 H 213 3.930 3.570 0.360 1 1 704 . 10 1 1 A 71 71 GLY HA3 H 213 3.693 3.664 0.029 1 1 705 . 10 1 1 A 71 71 GLY C C 213 176.374 176.092 0.282 1 1 706 . 10 1 1 A 71 71 GLY CA C 213 46.837 46.849 -0.012 1 1 707 . 10 1 1 A 71 71 GLY N N 213 103.821 106.258 -2.437 1 1 708 . 10 1 1 A 72 72 ASP H H 214 7.344 7.658 -0.314 1 1 709 . 10 1 1 A 72 72 ASP HA H 214 4.499 4.317 0.182 1 1 712 . 10 1 1 A 72 72 ASP C C 214 178.391 178.636 -0.245 1 1 713 . 10 1 1 A 72 72 ASP CA C 214 56.650 56.618 0.032 1 1 714 . 10 1 1 A 72 72 ASP CB C 214 41.284 40.910 0.374 1 1 715 . 10 1 1 A 72 72 ASP N N 214 120.357 122.314 -1.957 1 1 716 . 10 1 1 A 73 73 VAL H H 215 7.697 8.128 -0.431 1 1 717 . 10 1 1 A 73 73 VAL HA H 215 3.804 3.611 0.193 1 1 725 . 10 1 1 A 73 73 VAL C C 215 177.258 178.373 -1.115 1 1 726 . 10 1 1 A 73 73 VAL CA C 215 65.957 66.076 -0.119 1 1 727 . 10 1 1 A 73 73 VAL CB C 215 31.411 31.441 -0.030 1 1 730 . 10 1 1 A 73 73 VAL N N 215 123.318 119.985 3.333 1 1 731 . 10 1 1 A 74 74 VAL H H 216 8.144 8.340 -0.196 1 1 732 . 10 1 1 A 74 74 VAL HA H 216 3.474 3.478 -0.004 1 1 740 . 10 1 1 A 74 74 VAL C C 216 178.839 178.024 0.815 1 1 741 . 10 1 1 A 74 74 VAL CA C 216 66.866 65.778 1.088 1 1 742 . 10 1 1 A 74 74 VAL CB C 216 31.496 31.193 0.303 1 1 745 . 10 1 1 A 74 74 VAL N N 216 118.785 121.191 -2.406 1 1 746 . 10 1 1 A 75 75 SER H H 217 8.153 8.406 -0.253 1 1 747 . 10 1 1 A 75 75 SER HA H 217 4.131 4.059 0.072 1 1 750 . 10 1 1 A 75 75 SER C C 217 176.246 176.272 -0.026 1 1 751 . 10 1 1 A 75 75 SER CA C 217 62.198 62.080 0.118 1 1 752 . 10 1 1 A 75 75 SER CB C 217 65.986 62.907 3.079 1 1 753 . 10 1 1 A 75 75 SER N N 217 115.428 115.779 -0.351 1 1 754 . 10 1 1 A 76 76 ALA H H 218 7.873 7.979 -0.106 1 1 755 . 10 1 1 A 76 76 ALA HA H 218 4.220 4.080 0.140 1 1 759 . 10 1 1 A 76 76 ALA C C 218 180.251 179.746 0.505 1 1 760 . 10 1 1 A 76 76 ALA CA C 218 54.649 55.229 -0.580 1 1 761 . 10 1 1 A 76 76 ALA CB C 218 17.519 18.175 -0.656 1 1 762 . 10 1 1 A 76 76 ALA N N 218 125.449 122.986 2.463 1 1 763 . 10 1 1 A 77 77 ILE H H 219 8.357 7.467 0.890 1 1 764 . 10 1 1 A 77 77 ILE HA H 219 3.511 3.670 -0.159 1 1 774 . 10 1 1 A 77 77 ILE C C 219 181.394 178.032 3.362 1 1 775 . 10 1 1 A 77 77 ILE CA C 219 65.003 65.098 -0.095 1 1 776 . 10 1 1 A 77 77 ILE CB C 219 38.374 37.153 1.221 1 1 779 . 10 1 1 A 77 77 ILE N N 219 119.293 118.274 1.019 1 1 780 . 10 1 1 A 78 78 ARG H H 220 8.817 7.649 1.168 1 1 781 . 10 1 1 A 78 78 ARG HA H 220 4.162 4.031 0.131 1 1 786 . 10 1 1 A 78 78 ARG C C 220 178.163 178.045 0.118 1 1 787 . 10 1 1 A 78 78 ARG CA C 220 59.499 59.557 -0.058 1 1 788 . 10 1 1 A 78 78 ARG CB C 220 30.018 30.115 -0.097 1 1 790 . 10 1 1 A 78 78 ARG N N 220 124.633 123.405 1.228 1 1 791 . 10 1 1 A 79 79 ALA H H 221 8.207 8.043 0.164 1 1 792 . 10 1 1 A 79 79 ALA HA H 221 4.223 4.218 0.005 1 1 796 . 10 1 1 A 79 79 ALA C C 221 178.343 178.575 -0.232 1 1 797 . 10 1 1 A 79 79 ALA CA C 221 54.107 52.804 1.303 1 1 798 . 10 1 1 A 79 79 ALA CB C 221 18.055 18.616 -0.561 1 1 799 . 10 1 1 A 79 79 ALA N N 221 120.984 120.422 0.562 1 1 800 . 10 1 1 A 80 80 GLY H H 222 7.239 7.927 -0.688 1 1 801 . 10 1 1 A 80 80 GLY HA2 H 222 4.287 3.951 0.336 1 1 802 . 10 1 1 A 80 80 GLY C C 222 174.203 174.483 -0.280 1 1 803 . 10 1 1 A 80 80 GLY CA C 222 44.921 45.230 -0.309 1 1 804 . 10 1 1 A 80 80 GLY N N 222 102.308 107.465 -5.157 1 1 805 . 10 1 1 A 81 81 GLY H H 223 7.873 8.173 -0.300 1 1 806 . 10 1 1 A 81 81 GLY HA2 H 223 4.229 3.824 0.405 1 1 807 . 10 1 1 A 81 81 GLY HA3 H 223 3.735 3.828 -0.093 1 1 808 . 10 1 1 A 81 81 GLY C C 223 174.031 174.889 -0.858 1 1 809 . 10 1 1 A 81 81 GLY CA C 223 46.465 46.881 -0.416 1 1 810 . 10 1 1 A 81 81 GLY N N 223 107.624 107.353 0.271 1 1 811 . 10 1 1 A 82 82 ASP H H 224 9.157 8.746 0.411 1 1 812 . 10 1 1 A 82 82 ASP HA H 224 4.625 4.590 0.035 1 1 815 . 10 1 1 A 82 82 ASP C C 224 173.254 176.031 -2.777 1 1 816 . 10 1 1 A 82 82 ASP CA C 224 54.408 54.622 -0.214 1 1 817 . 10 1 1 A 82 82 ASP CB C 224 40.829 41.557 -0.728 1 1 818 . 10 1 1 A 82 82 ASP N N 224 128.466 126.378 2.088 1 1 819 . 10 1 1 A 83 83 GLU H H 225 7.479 7.588 -0.109 1 1 820 . 10 1 1 A 83 83 GLU HA H 225 5.454 4.784 0.670 1 1 825 . 10 1 1 A 83 83 GLU C C 225 175.120 175.379 -0.259 1 1 826 . 10 1 1 A 83 83 GLU CA C 225 54.723 55.650 -0.927 1 1 827 . 10 1 1 A 83 83 GLU CB C 225 33.927 31.422 2.505 1 1 829 . 10 1 1 A 83 83 GLU N N 225 118.419 120.067 -1.648 1 1 830 . 10 1 1 A 84 84 THR H H 226 8.759 8.928 -0.169 1 1 831 . 10 1 1 A 84 84 THR HA H 226 4.680 4.803 -0.123 1 1 836 . 10 1 1 A 84 84 THR C C 226 170.497 173.467 -2.970 1 1 837 . 10 1 1 A 84 84 THR CA C 226 62.538 61.936 0.602 1 1 838 . 10 1 1 A 84 84 THR CB C 226 70.389 69.147 1.242 1 1 840 . 10 1 1 A 84 84 THR N N 226 116.177 122.261 -6.084 1 1 841 . 10 1 1 A 85 85 LYS H H 227 7.829 8.962 -1.133 1 1 842 . 10 1 1 A 85 85 LYS HA H 227 5.085 4.762 0.323 1 1 847 . 10 1 1 A 85 85 LYS C C 227 174.884 175.116 -0.232 1 1 848 . 10 1 1 A 85 85 LYS CA C 227 54.338 55.831 -1.493 1 1 849 . 10 1 1 A 85 85 LYS CB C 227 34.154 32.084 2.070 1 1 853 . 10 1 1 A 85 85 LYS N N 227 125.540 127.487 -1.947 1 1 854 . 10 1 1 A 86 86 LEU H H 228 8.977 9.044 -0.067 1 1 855 . 10 1 1 A 86 86 LEU HA H 228 5.049 5.085 -0.036 1 1 864 . 10 1 1 A 86 86 LEU C C 228 174.337 175.518 -1.181 1 1 865 . 10 1 1 A 86 86 LEU CA C 228 52.201 53.595 -1.394 1 1 866 . 10 1 1 A 86 86 LEU CB C 228 44.238 44.247 -0.009 1 1 867 . 10 1 1 A 86 86 LEU N N 228 125.294 126.582 -1.288 1 1 868 . 10 1 1 A 87 87 LEU H H 229 8.619 8.632 -0.013 1 1 869 . 10 1 1 A 87 87 LEU HA H 229 5.244 5.388 -0.144 1 1 875 . 10 1 1 A 87 87 LEU C C 229 175.951 175.728 0.223 1 1 876 . 10 1 1 A 87 87 LEU CA C 229 53.857 53.570 0.287 1 1 877 . 10 1 1 A 87 87 LEU CB C 229 43.711 44.247 -0.536 1 1 878 . 10 1 1 A 87 87 LEU N N 229 128.223 127.666 0.557 1 1 879 . 10 1 1 A 88 88 VAL H H 230 9.291 8.764 0.527 1 1 880 . 10 1 1 A 88 88 VAL HA H 230 5.627 5.696 -0.069 1 1 888 . 10 1 1 A 88 88 VAL C C 230 174.077 174.875 -0.798 1 1 889 . 10 1 1 A 88 88 VAL CA C 230 58.217 59.486 -1.269 1 1 890 . 10 1 1 A 88 88 VAL CB C 230 36.697 36.269 0.428 1 1 893 . 10 1 1 A 88 88 VAL N N 230 120.780 120.706 0.074 1 1 894 . 10 1 1 A 89 89 VAL H H 231 8.241 8.505 -0.264 1 1 895 . 10 1 1 A 89 89 VAL HA H 231 4.814 4.859 -0.045 1 1 903 . 10 1 1 A 89 89 VAL C C 231 174.661 173.994 0.667 1 1 904 . 10 1 1 A 89 89 VAL CA C 231 58.524 60.773 -2.249 1 1 905 . 10 1 1 A 89 89 VAL CB C 231 35.588 35.031 0.557 1 1 908 . 10 1 1 A 89 89 VAL N N 231 110.935 120.965 -10.030 1 1 909 . 10 1 1 A 90 90 ASP H H 232 7.841 8.774 -0.933 1 1 910 . 10 1 1 A 90 90 ASP HA H 232 4.883 4.799 0.084 1 1 913 . 10 1 1 A 90 90 ASP C C 232 175.406 176.816 -1.410 1 1 914 . 10 1 1 A 90 90 ASP CA C 232 52.420 52.877 -0.457 1 1 915 . 10 1 1 A 90 90 ASP CB C 232 41.621 41.148 0.473 1 1 916 . 10 1 1 A 90 90 ASP N N 232 122.442 126.542 -4.100 1 1 917 . 10 1 1 A 91 91 ARG H H 233 8.780 9.040 -0.260 1 1 918 . 10 1 1 A 91 91 ARG HA H 233 4.228 4.469 -0.241 1 1 921 . 10 1 1 A 91 91 ARG C C 233 177.865 178.072 -0.207 1 1 922 . 10 1 1 A 91 91 ARG CA C 233 58.821 57.933 0.888 1 1 923 . 10 1 1 A 91 91 ARG CB C 233 29.977 30.817 -0.840 1 1 925 . 10 1 1 A 91 91 ARG N N 233 120.292 126.894 -6.602 1 1 926 . 10 1 1 A 92 92 GLU H H 234 8.663 7.821 0.842 1 1 927 . 10 1 1 A 92 92 GLU HA H 234 4.071 4.255 -0.184 1 1 932 . 10 1 1 A 92 92 GLU C C 234 178.395 178.577 -0.182 1 1 933 . 10 1 1 A 92 92 GLU CA C 234 59.115 58.650 0.465 1 1 934 . 10 1 1 A 92 92 GLU CB C 234 29.131 30.275 -1.144 1 1 936 . 10 1 1 A 92 92 GLU N N 234 119.448 118.695 0.753 1 1 937 . 10 1 1 A 93 93 THR H H 235 8.255 8.416 -0.161 1 1 938 . 10 1 1 A 93 93 THR HA H 235 3.975 4.221 -0.246 1 1 943 . 10 1 1 A 93 93 THR C C 235 175.146 175.915 -0.769 1 1 944 . 10 1 1 A 93 93 THR CA C 235 65.516 65.915 -0.399 1 1 945 . 10 1 1 A 93 93 THR CB C 235 68.363 68.541 -0.178 1 1 947 . 10 1 1 A 93 93 THR N N 235 117.260 117.462 -0.202 1 1 948 . 10 1 1 A 94 94 ASP H H 236 8.302 8.358 -0.056 1 1 949 . 10 1 1 A 94 94 ASP HA H 236 4.557 4.398 0.159 1 1 952 . 10 1 1 A 94 94 ASP C C 236 177.739 177.352 0.387 1 1 953 . 10 1 1 A 94 94 ASP CA C 236 55.460 57.202 -1.742 1 1 954 . 10 1 1 A 94 94 ASP CB C 236 41.093 40.855 0.238 1 1 955 . 10 1 1 A 94 94 ASP N N 236 122.075 121.839 0.236 1 1 956 . 10 1 1 A 95 95 GLU H H 237 8.084 7.910 0.174 1 1 957 . 10 1 1 A 95 95 GLU HA H 237 4.032 4.534 -0.502 1 1 961 . 10 1 1 A 95 95 GLU C C 237 176.899 178.978 -2.079 1 1 962 . 10 1 1 A 95 95 GLU CA C 237 57.612 57.105 0.507 1 1 963 . 10 1 1 A 95 95 GLU CB C 237 29.393 30.607 -1.214 1 1 965 . 10 1 1 A 95 95 GLU N N 237 117.733 116.193 1.540 1 1 966 . 10 1 1 A 96 96 PHE H H 238 7.927 8.312 -0.385 1 1 967 . 10 1 1 A 96 96 PHE HA H 238 4.363 4.320 0.043 1 1 974 . 10 1 1 A 96 96 PHE C C 238 175.655 178.127 -2.472 1 1 975 . 10 1 1 A 96 96 PHE CA C 238 59.139 61.756 -2.617 1 1 976 . 10 1 1 A 96 96 PHE CB C 238 39.723 39.976 -0.253 1 1 977 . 10 1 1 A 96 96 PHE N N 238 119.312 121.879 -2.567 1 1 978 . 10 1 1 A 97 97 PHE H H 239 7.896 7.850 0.046 1 1 979 . 10 1 1 A 97 97 PHE HA H 239 4.506 4.040 0.466 1 1 986 . 10 1 1 A 97 97 PHE C C 239 174.173 177.440 -3.267 1 1 987 . 10 1 1 A 97 97 PHE CA C 239 58.034 59.720 -1.686 1 1 988 . 10 1 1 A 97 97 PHE CB C 239 39.447 39.760 -0.313 1 1 989 . 10 1 1 A 97 97 PHE N N 239 119.260 119.503 -0.243 1 1 1 . 11 1 1 A 2 2 ILE HA H 144 4.171 4.857 -0.686 1 1 11 . 11 1 1 A 2 2 ILE C C 144 175.446 172.582 2.864 1 1 12 . 11 1 1 A 2 2 ILE CA C 144 60.547 59.673 0.874 1 1 13 . 11 1 1 A 2 2 ILE CB C 144 38.500 41.372 -2.872 1 1 17 . 11 1 1 A 3 3 ASP H H 145 8.584 8.713 -0.129 1 1 18 . 11 1 1 A 3 3 ASP HA H 145 4.879 4.967 -0.088 1 1 21 . 11 1 1 A 3 3 ASP CA C 145 51.583 51.422 0.161 1 1 22 . 11 1 1 A 3 3 ASP CB C 145 41.044 42.836 -1.792 1 1 23 . 11 1 1 A 3 3 ASP N N 145 127.098 129.466 -2.368 1 1 24 . 11 1 1 A 4 4 PRO HA H 146 4.290 4.392 -0.102 1 1 31 . 11 1 1 A 4 4 PRO C C 146 176.840 178.211 -1.371 1 1 32 . 11 1 1 A 4 4 PRO CA C 146 63.386 65.910 -2.524 1 1 33 . 11 1 1 A 4 4 PRO CB C 146 31.799 31.545 0.254 1 1 36 . 11 1 1 A 5 5 PHE H H 147 8.323 8.237 0.086 1 1 37 . 11 1 1 A 5 5 PHE HA H 147 4.550 4.690 -0.140 1 1 44 . 11 1 1 A 5 5 PHE C C 147 176.081 175.335 0.746 1 1 45 . 11 1 1 A 5 5 PHE CA C 147 58.224 59.659 -1.435 1 1 46 . 11 1 1 A 5 5 PHE CB C 147 38.571 41.125 -2.554 1 1 47 . 11 1 1 A 5 5 PHE N N 147 118.510 117.621 0.889 1 1 48 . 11 1 1 A 6 6 THR H H 148 7.769 7.860 -0.091 1 1 49 . 11 1 1 A 6 6 THR HA H 148 4.195 4.856 -0.661 1 1 54 . 11 1 1 A 6 6 THR C C 148 173.870 173.048 0.822 1 1 55 . 11 1 1 A 6 6 THR CA C 148 62.114 61.313 0.801 1 1 56 . 11 1 1 A 6 6 THR CB C 148 69.325 70.548 -1.223 1 1 58 . 11 1 1 A 6 6 THR N N 148 114.321 106.897 7.424 1 1 59 . 11 1 1 A 7 7 MET H H 149 8.101 8.948 -0.847 1 1 60 . 11 1 1 A 7 7 MET HA H 149 4.438 4.744 -0.306 1 1 65 . 11 1 1 A 7 7 MET C C 149 175.544 176.205 -0.661 1 1 66 . 11 1 1 A 7 7 MET CA C 149 55.218 56.297 -1.079 1 1 67 . 11 1 1 A 7 7 MET CB C 149 32.224 35.354 -3.130 1 1 69 . 11 1 1 A 7 7 MET N N 149 121.779 120.622 1.157 1 1 70 . 11 1 1 A 8 8 LEU H H 150 8.110 8.020 0.090 1 1 71 . 11 1 1 A 8 8 LEU HA H 150 4.467 4.590 -0.123 1 1 81 . 11 1 1 A 8 8 LEU C C 150 175.439 176.075 -0.636 1 1 82 . 11 1 1 A 8 8 LEU CA C 150 54.333 55.061 -0.728 1 1 83 . 11 1 1 A 8 8 LEU CB C 150 40.631 44.904 -4.273 1 1 86 . 11 1 1 A 8 8 LEU N N 150 123.383 118.549 4.834 1 1 87 . 11 1 1 A 9 9 ARG H H 151 7.900 7.294 0.606 1 1 88 . 11 1 1 A 9 9 ARG HA H 151 4.769 4.152 0.617 1 1 93 . 11 1 1 A 9 9 ARG CA C 151 52.792 55.283 -2.491 1 1 94 . 11 1 1 A 9 9 ARG CB C 151 30.717 29.923 0.794 1 1 96 . 11 1 1 A 9 9 ARG N N 151 119.907 117.172 2.735 1 1 97 . 11 1 1 A 10 10 PRO HA H 152 4.546 4.445 0.101 1 1 104 . 11 1 1 A 10 10 PRO C C 152 175.520 175.975 -0.455 1 1 105 . 11 1 1 A 10 10 PRO CA C 152 62.580 63.148 -0.568 1 1 106 . 11 1 1 A 10 10 PRO CB C 152 31.507 32.125 -0.618 1 1 109 . 11 1 1 A 11 11 ARG H H 153 8.987 8.208 0.779 1 1 110 . 11 1 1 A 11 11 ARG HA H 153 4.462 4.801 -0.339 1 1 113 . 11 1 1 A 11 11 ARG C C 153 173.260 174.288 -1.028 1 1 114 . 11 1 1 A 11 11 ARG CA C 153 54.652 54.197 0.455 1 1 115 . 11 1 1 A 11 11 ARG CB C 153 32.449 34.430 -1.981 1 1 116 . 11 1 1 A 11 11 ARG N N 153 122.642 121.054 1.588 1 1 117 . 11 1 1 A 12 12 LEU H H 154 8.675 8.735 -0.060 1 1 118 . 11 1 1 A 12 12 LEU HA H 154 4.926 5.189 -0.263 1 1 127 . 11 1 1 A 12 12 LEU C C 154 176.282 174.554 1.728 1 1 128 . 11 1 1 A 12 12 LEU CA C 154 53.222 53.377 -0.155 1 1 129 . 11 1 1 A 12 12 LEU CB C 154 42.382 45.093 -2.711 1 1 132 . 11 1 1 A 12 12 LEU N N 154 125.776 123.305 2.471 1 1 133 . 11 1 1 A 13 13 CYS H H 155 9.509 9.752 -0.243 1 1 134 . 11 1 1 A 13 13 CYS HA H 155 4.762 5.327 -0.565 1 1 137 . 11 1 1 A 13 13 CYS C C 155 173.211 173.396 -0.185 1 1 138 . 11 1 1 A 13 13 CYS CA C 155 57.646 57.160 0.486 1 1 139 . 11 1 1 A 13 13 CYS CB C 155 28.495 30.611 -2.116 1 1 140 . 11 1 1 A 13 13 CYS N N 155 130.053 125.578 4.475 1 1 141 . 11 1 1 A 14 14 THR H H 156 8.979 9.291 -0.312 1 1 142 . 11 1 1 A 14 14 THR HA H 156 4.927 5.154 -0.227 1 1 147 . 11 1 1 A 14 14 THR C C 156 172.990 173.689 -0.699 1 1 148 . 11 1 1 A 14 14 THR CA C 156 61.216 61.895 -0.679 1 1 149 . 11 1 1 A 14 14 THR CB C 156 69.306 70.999 -1.693 1 1 151 . 11 1 1 A 14 14 THR N N 156 122.811 121.028 1.783 1 1 152 . 11 1 1 A 15 15 MET H H 157 8.889 8.971 -0.082 1 1 153 . 11 1 1 A 15 15 MET HA H 157 5.006 5.463 -0.457 1 1 157 . 11 1 1 A 15 15 MET C C 157 176.000 174.839 1.161 1 1 158 . 11 1 1 A 15 15 MET CA C 157 54.167 53.160 1.007 1 1 159 . 11 1 1 A 15 15 MET CB C 157 39.030 34.993 4.037 1 1 160 . 11 1 1 A 15 15 MET N N 157 121.855 124.070 -2.215 1 1 161 . 11 1 1 A 16 16 LYS H H 158 8.614 8.896 -0.282 1 1 162 . 11 1 1 A 16 16 LYS HA H 158 5.262 4.760 0.502 1 1 167 . 11 1 1 A 16 16 LYS C C 158 175.677 177.182 -1.505 1 1 168 . 11 1 1 A 16 16 LYS CA C 158 54.283 55.313 -1.030 1 1 169 . 11 1 1 A 16 16 LYS CB C 158 34.677 33.033 1.644 1 1 172 . 11 1 1 A 16 16 LYS N N 158 122.373 122.422 -0.049 1 1 173 . 11 1 1 A 17 17 LYS H H 159 8.519 9.375 -0.856 1 1 174 . 11 1 1 A 17 17 LYS HA H 159 3.208 3.687 -0.479 1 1 179 . 11 1 1 A 17 17 LYS C C 159 176.799 176.346 0.453 1 1 180 . 11 1 1 A 17 17 LYS CA C 159 58.532 59.623 -1.091 1 1 181 . 11 1 1 A 17 17 LYS CB C 159 33.471 32.115 1.356 1 1 184 . 11 1 1 A 17 17 LYS N N 159 123.623 128.136 -4.513 1 1 185 . 11 1 1 A 18 18 GLY H H 160 7.222 7.752 -0.530 1 1 186 . 11 1 1 A 18 18 GLY HA2 H 160 4.578 3.967 0.611 1 1 187 . 11 1 1 A 18 18 GLY HA3 H 160 3.950 3.970 -0.020 1 1 188 . 11 1 1 A 18 18 GLY CA C 160 44.160 44.941 -0.781 1 1 189 . 11 1 1 A 18 18 GLY N N 160 111.304 107.106 4.198 1 1 190 . 11 1 1 A 19 19 PRO HA H 161 4.307 4.509 -0.202 1 1 197 . 11 1 1 A 19 19 PRO C C 161 177.523 177.008 0.515 1 1 198 . 11 1 1 A 19 19 PRO CA C 161 64.766 63.970 0.796 1 1 199 . 11 1 1 A 19 19 PRO CB C 161 31.509 32.573 -1.064 1 1 202 . 11 1 1 A 20 20 SER H H 162 8.462 7.278 1.184 1 1 203 . 11 1 1 A 20 20 SER HA H 162 4.708 4.514 0.194 1 1 206 . 11 1 1 A 20 20 SER C C 162 173.887 174.503 -0.616 1 1 207 . 11 1 1 A 20 20 SER CA C 162 56.541 58.613 -2.072 1 1 208 . 11 1 1 A 20 20 SER CB C 162 63.086 65.388 -2.302 1 1 209 . 11 1 1 A 20 20 SER N N 162 111.594 112.400 -0.806 1 1 210 . 11 1 1 A 21 21 GLY H H 163 7.730 8.264 -0.534 1 1 211 . 11 1 1 A 21 21 GLY HA2 H 163 4.477 3.761 0.716 1 1 212 . 11 1 1 A 21 21 GLY HA3 H 163 3.242 3.887 -0.645 1 1 213 . 11 1 1 A 21 21 GLY CA C 163 43.895 46.852 -2.957 1 1 214 . 11 1 1 A 21 21 GLY N N 163 108.656 109.852 -1.196 1 1 215 . 11 1 1 A 22 22 TYR H H 164 7.210 8.754 -1.544 1 1 216 . 11 1 1 A 22 22 TYR HA H 164 4.366 4.089 0.277 1 1 223 . 11 1 1 A 22 22 TYR C C 164 176.198 175.781 0.417 1 1 224 . 11 1 1 A 22 22 TYR CA C 164 60.930 60.305 0.625 1 1 225 . 11 1 1 A 22 22 TYR CB C 164 40.660 38.777 1.883 1 1 226 . 11 1 1 A 23 23 GLY H H 165 8.600 8.280 0.320 1 1 227 . 11 1 1 A 23 23 GLY HA2 H 165 4.511 3.856 0.655 1 1 228 . 11 1 1 A 23 23 GLY HA3 H 165 3.886 3.865 0.021 1 1 229 . 11 1 1 A 23 23 GLY C C 165 172.930 173.621 -0.691 1 1 230 . 11 1 1 A 23 23 GLY CA C 165 45.013 45.353 -0.340 1 1 231 . 11 1 1 A 23 23 GLY N N 165 103.183 107.455 -4.272 1 1 232 . 11 1 1 A 24 24 PHE H H 166 6.855 7.142 -0.287 1 1 233 . 11 1 1 A 24 24 PHE HA H 166 5.629 5.165 0.464 1 1 241 . 11 1 1 A 24 24 PHE C C 166 172.417 173.691 -1.274 1 1 242 . 11 1 1 A 24 24 PHE CA C 166 54.693 55.371 -0.678 1 1 243 . 11 1 1 A 24 24 PHE CB C 166 42.235 41.943 0.292 1 1 244 . 11 1 1 A 24 24 PHE N N 166 111.547 116.107 -4.560 1 1 245 . 11 1 1 A 25 25 ASN H H 167 8.121 9.826 -1.705 1 1 246 . 11 1 1 A 25 25 ASN HA H 167 5.097 5.781 -0.684 1 1 251 . 11 1 1 A 25 25 ASN C C 167 174.068 174.525 -0.457 1 1 252 . 11 1 1 A 25 25 ASN CA C 167 51.521 52.254 -0.733 1 1 253 . 11 1 1 A 25 25 ASN CB C 167 41.155 42.274 -1.119 1 1 254 . 11 1 1 A 25 25 ASN N N 167 117.619 117.596 0.023 1 1 256 . 11 1 1 A 26 26 LEU H H 168 9.287 8.850 0.437 1 1 257 . 11 1 1 A 26 26 LEU HA H 168 5.369 5.603 -0.234 1 1 266 . 11 1 1 A 26 26 LEU C C 168 176.491 175.750 0.741 1 1 267 . 11 1 1 A 26 26 LEU CA C 168 54.171 53.872 0.299 1 1 268 . 11 1 1 A 26 26 LEU CB C 168 44.783 45.777 -0.994 1 1 272 . 11 1 1 A 26 26 LEU N N 168 123.933 120.698 3.235 1 1 273 . 11 1 1 A 27 27 HIS H H 169 9.466 9.110 0.356 1 1 274 . 11 1 1 A 27 27 HIS HA H 169 4.922 5.726 -0.804 1 1 276 . 11 1 1 A 27 27 HIS CA C 169 56.019 53.542 2.477 1 1 277 . 11 1 1 A 27 27 HIS CB C 169 33.352 33.734 -0.382 1 1 278 . 11 1 1 A 27 27 HIS N N 169 119.976 120.134 -0.158 1 1 279 . 11 1 1 A 28 28 SER HA H 170 4.703 4.330 0.373 1 1 282 . 11 1 1 A 28 28 SER C C 170 172.451 172.871 -0.420 1 1 283 . 11 1 1 A 28 28 SER CA C 170 57.104 55.971 1.133 1 1 284 . 11 1 1 A 28 28 SER CB C 170 63.937 64.381 -0.444 1 1 285 . 11 1 1 A 29 29 ASP H H 171 9.230 8.921 0.309 1 1 286 . 11 1 1 A 29 29 ASP HA H 171 4.591 4.685 -0.094 1 1 289 . 11 1 1 A 29 29 ASP CA C 171 53.406 55.608 -2.202 1 1 290 . 11 1 1 A 29 29 ASP CB C 171 43.831 43.209 0.622 1 1 291 . 11 1 1 A 29 29 ASP N N 171 123.447 123.154 0.293 1 1 292 . 11 1 1 A 30 30 LYS HA H 172 4.148 4.589 -0.441 1 1 298 . 11 1 1 A 30 30 LYS C C 172 176.768 176.772 -0.004 1 1 299 . 11 1 1 A 30 30 LYS CA C 172 57.755 54.959 2.796 1 1 300 . 11 1 1 A 30 30 LYS CB C 172 31.872 33.694 -1.822 1 1 301 . 11 1 1 A 31 31 SER H H 173 8.803 8.588 0.215 1 1 302 . 11 1 1 A 31 31 SER HA H 173 4.419 4.825 -0.406 1 1 304 . 11 1 1 A 31 31 SER C C 173 173.570 174.552 -0.982 1 1 305 . 11 1 1 A 31 31 SER CA C 173 59.354 57.717 1.637 1 1 306 . 11 1 1 A 31 31 SER CB C 173 64.113 63.761 0.352 1 1 307 . 11 1 1 A 31 31 SER N N 173 115.001 116.949 -1.948 1 1 308 . 11 1 1 A 32 32 LYS H H 174 7.893 7.960 -0.067 1 1 309 . 11 1 1 A 32 32 LYS HA H 174 4.804 4.384 0.420 1 1 316 . 11 1 1 A 32 32 LYS CA C 174 53.258 59.178 -5.920 1 1 317 . 11 1 1 A 32 32 LYS CB C 174 33.448 33.344 0.104 1 1 321 . 11 1 1 A 32 32 LYS N N 174 122.863 121.706 1.157 1 1 322 . 11 1 1 A 33 33 PRO HA H 175 4.592 4.448 0.144 1 1 329 . 11 1 1 A 33 33 PRO C C 175 176.188 177.054 -0.866 1 1 330 . 11 1 1 A 33 33 PRO CA C 175 62.823 65.291 -2.468 1 1 331 . 11 1 1 A 33 33 PRO CB C 175 32.076 31.857 0.219 1 1 334 . 11 1 1 A 34 34 GLY H H 176 8.328 7.446 0.882 1 1 335 . 11 1 1 A 34 34 GLY HA2 H 176 4.179 4.130 0.049 1 1 336 . 11 1 1 A 34 34 GLY HA3 H 176 3.713 4.188 -0.475 1 1 337 . 11 1 1 A 34 34 GLY C C 176 172.298 171.718 0.580 1 1 338 . 11 1 1 A 34 34 GLY CA C 176 43.770 44.542 -0.772 1 1 339 . 11 1 1 A 34 34 GLY N N 176 108.419 105.113 3.306 1 1 340 . 11 1 1 A 35 35 GLN H H 177 8.673 8.395 0.278 1 1 341 . 11 1 1 A 35 35 GLN HA H 177 4.761 4.635 0.126 1 1 347 . 11 1 1 A 35 35 GLN C C 177 173.569 174.849 -1.280 1 1 348 . 11 1 1 A 35 35 GLN CA C 177 53.731 54.638 -0.907 1 1 349 . 11 1 1 A 35 35 GLN CB C 177 29.555 31.220 -1.665 1 1 351 . 11 1 1 A 35 35 GLN N N 177 117.933 121.047 -3.114 1 1 353 . 11 1 1 A 36 36 PHE H H 178 8.799 8.315 0.484 1 1 354 . 11 1 1 A 36 36 PHE HA H 178 5.447 5.079 0.368 1 1 361 . 11 1 1 A 36 36 PHE C C 178 175.427 175.469 -0.042 1 1 362 . 11 1 1 A 36 36 PHE CA C 178 55.349 56.893 -1.544 1 1 363 . 11 1 1 A 36 36 PHE CB C 178 42.486 42.434 0.052 1 1 364 . 11 1 1 A 36 36 PHE N N 178 120.404 124.658 -4.254 1 1 365 . 11 1 1 A 37 37 ILE H H 179 9.203 8.813 0.390 1 1 366 . 11 1 1 A 37 37 ILE HA H 179 4.322 4.658 -0.336 1 1 376 . 11 1 1 A 37 37 ILE C C 179 176.207 176.435 -0.228 1 1 377 . 11 1 1 A 37 37 ILE CA C 179 58.611 60.319 -1.708 1 1 378 . 11 1 1 A 37 37 ILE CB C 179 34.911 39.063 -4.152 1 1 380 . 11 1 1 A 37 37 ILE N N 179 120.720 121.942 -1.222 1 1 381 . 11 1 1 A 38 38 ARG H H 180 9.453 8.866 0.587 1 1 382 . 11 1 1 A 38 38 ARG HA H 180 3.951 4.239 -0.288 1 1 389 . 11 1 1 A 38 38 ARG C C 180 175.332 176.130 -0.798 1 1 390 . 11 1 1 A 38 38 ARG CA C 180 58.035 56.469 1.566 1 1 391 . 11 1 1 A 38 38 ARG CB C 180 30.593 31.436 -0.843 1 1 393 . 11 1 1 A 38 38 ARG N N 180 132.453 124.184 8.269 1 1 394 . 11 1 1 A 39 39 SER H H 181 7.529 7.761 -0.232 1 1 395 . 11 1 1 A 39 39 SER HA H 181 4.553 4.776 -0.223 1 1 397 . 11 1 1 A 39 39 SER C C 181 170.792 172.209 -1.417 1 1 398 . 11 1 1 A 39 39 SER CA C 181 56.629 57.454 -0.825 1 1 399 . 11 1 1 A 39 39 SER CB C 181 64.756 65.357 -0.601 1 1 400 . 11 1 1 A 39 39 SER N N 181 109.145 113.467 -4.322 1 1 401 . 11 1 1 A 40 40 VAL H H 182 8.595 8.694 -0.099 1 1 402 . 11 1 1 A 40 40 VAL HA H 182 4.609 4.868 -0.259 1 1 410 . 11 1 1 A 40 40 VAL C C 182 175.150 174.015 1.135 1 1 411 . 11 1 1 A 40 40 VAL CA C 182 60.603 60.408 0.195 1 1 412 . 11 1 1 A 40 40 VAL CB C 182 34.480 35.627 -1.147 1 1 415 . 11 1 1 A 40 40 VAL N N 182 119.939 123.538 -3.599 1 1 416 . 11 1 1 A 41 41 ASP H H 183 9.410 9.226 0.184 1 1 417 . 11 1 1 A 41 41 ASP HA H 183 4.770 4.977 -0.207 1 1 420 . 11 1 1 A 41 41 ASP CA C 183 52.418 51.288 1.130 1 1 421 . 11 1 1 A 41 41 ASP CB C 183 39.357 42.138 -2.781 1 1 422 . 11 1 1 A 41 41 ASP N N 183 129.870 127.678 2.192 1 1 423 . 11 1 1 A 42 42 PRO HA H 184 4.551 4.359 0.192 1 1 429 . 11 1 1 A 42 42 PRO C C 184 176.520 177.155 -0.635 1 1 430 . 11 1 1 A 42 42 PRO CA C 184 62.915 63.794 -0.879 1 1 431 . 11 1 1 A 42 42 PRO CB C 184 31.844 31.696 0.148 1 1 434 . 11 1 1 A 43 43 ASP H H 185 9.250 8.949 0.301 1 1 435 . 11 1 1 A 43 43 ASP HA H 185 4.356 4.352 0.004 1 1 438 . 11 1 1 A 43 43 ASP C C 185 173.959 174.770 -0.811 1 1 439 . 11 1 1 A 43 43 ASP CA C 185 55.638 55.608 0.030 1 1 440 . 11 1 1 A 43 43 ASP CB C 185 39.100 40.407 -1.307 1 1 441 . 11 1 1 A 43 43 ASP N N 185 118.710 122.482 -3.772 1 1 442 . 11 1 1 A 44 44 SER H H 186 7.336 7.598 -0.262 1 1 443 . 11 1 1 A 44 44 SER HA H 186 4.953 4.790 0.163 1 1 445 . 11 1 1 A 44 44 SER CA C 186 56.329 56.597 -0.268 1 1 446 . 11 1 1 A 44 44 SER CB C 186 65.440 63.964 1.476 1 1 447 . 11 1 1 A 44 44 SER N N 186 111.769 114.957 -3.188 1 1 448 . 11 1 1 A 45 45 PRO HA H 187 4.522 4.221 0.301 1 1 455 . 11 1 1 A 45 45 PRO C C 187 179.929 178.053 1.876 1 1 456 . 11 1 1 A 45 45 PRO CA C 187 65.133 65.749 -0.616 1 1 457 . 11 1 1 A 45 45 PRO CB C 187 32.682 31.748 0.934 1 1 459 . 11 1 1 A 46 46 ALA H H 188 8.492 8.036 0.456 1 1 460 . 11 1 1 A 46 46 ALA HA H 188 4.378 4.173 0.205 1 1 464 . 11 1 1 A 46 46 ALA C C 188 175.528 179.922 -4.394 1 1 465 . 11 1 1 A 46 46 ALA CA C 188 54.584 55.555 -0.971 1 1 466 . 11 1 1 A 46 46 ALA CB C 188 19.714 18.686 1.028 1 1 467 . 11 1 1 A 46 46 ALA N N 188 118.684 118.871 -0.187 1 1 468 . 11 1 1 A 47 47 GLU H H 189 8.266 8.200 0.066 1 1 469 . 11 1 1 A 47 47 GLU HA H 189 3.881 4.042 -0.161 1 1 472 . 11 1 1 A 47 47 GLU C C 189 173.891 178.645 -4.754 1 1 473 . 11 1 1 A 47 47 GLU CA C 189 59.881 59.456 0.425 1 1 474 . 11 1 1 A 47 47 GLU CB C 189 29.830 29.470 0.360 1 1 475 . 11 1 1 A 47 47 GLU N N 189 122.834 118.049 4.785 1 1 476 . 11 1 1 A 48 48 ALA H H 190 8.378 8.227 0.151 1 1 477 . 11 1 1 A 48 48 ALA HA H 190 4.228 4.157 0.071 1 1 481 . 11 1 1 A 48 48 ALA C C 190 178.612 180.104 -1.492 1 1 482 . 11 1 1 A 48 48 ALA CA C 190 54.522 54.499 0.023 1 1 483 . 11 1 1 A 48 48 ALA CB C 190 17.980 18.530 -0.550 1 1 484 . 11 1 1 A 48 48 ALA N N 190 122.847 122.223 0.624 1 1 485 . 11 1 1 A 49 49 SER H H 191 7.949 7.616 0.333 1 1 486 . 11 1 1 A 49 49 SER HA H 191 4.544 4.524 0.020 1 1 489 . 11 1 1 A 49 49 SER C C 191 174.409 174.627 -0.218 1 1 490 . 11 1 1 A 49 49 SER CA C 191 59.717 58.589 1.128 1 1 491 . 11 1 1 A 49 49 SER CB C 191 64.762 63.694 1.068 1 1 492 . 11 1 1 A 49 49 SER N N 191 112.314 110.837 1.477 1 1 493 . 11 1 1 A 50 50 GLY H H 192 7.604 8.448 -0.844 1 1 494 . 11 1 1 A 50 50 GLY HA2 H 192 4.427 3.984 0.443 1 1 495 . 11 1 1 A 50 50 GLY HA3 H 192 3.714 3.986 -0.272 1 1 496 . 11 1 1 A 50 50 GLY C C 192 173.516 174.346 -0.830 1 1 497 . 11 1 1 A 50 50 GLY CA C 192 44.654 45.679 -1.025 1 1 498 . 11 1 1 A 50 50 GLY N N 192 107.849 109.343 -1.494 1 1 499 . 11 1 1 A 51 51 LEU H H 193 7.268 8.017 -0.749 1 1 500 . 11 1 1 A 51 51 LEU HA H 193 3.969 4.810 -0.841 1 1 510 . 11 1 1 A 51 51 LEU C C 193 174.799 175.540 -0.741 1 1 511 . 11 1 1 A 51 51 LEU CA C 193 55.198 54.179 1.019 1 1 512 . 11 1 1 A 51 51 LEU CB C 193 43.724 44.566 -0.842 1 1 515 . 11 1 1 A 51 51 LEU N N 193 124.317 122.418 1.899 1 1 516 . 11 1 1 A 52 52 ARG H H 194 8.891 8.691 0.200 1 1 517 . 11 1 1 A 52 52 ARG HA H 194 4.613 4.909 -0.296 1 1 521 . 11 1 1 A 52 52 ARG C C 194 174.936 175.562 -0.626 1 1 522 . 11 1 1 A 52 52 ARG CA C 194 54.127 53.958 0.169 1 1 523 . 11 1 1 A 52 52 ARG CB C 194 34.156 33.926 0.230 1 1 524 . 11 1 1 A 52 52 ARG N N 194 124.468 125.030 -0.562 1 1 525 . 11 1 1 A 53 53 ALA H H 195 8.677 8.575 0.102 1 1 526 . 11 1 1 A 53 53 ALA HA H 195 3.682 4.003 -0.321 1 1 530 . 11 1 1 A 53 53 ALA C C 195 178.524 178.158 0.366 1 1 531 . 11 1 1 A 53 53 ALA CA C 195 53.523 52.482 1.041 1 1 532 . 11 1 1 A 53 53 ALA CB C 195 17.963 19.609 -1.646 1 1 533 . 11 1 1 A 53 53 ALA N N 195 122.213 126.258 -4.045 1 1 534 . 11 1 1 A 54 54 GLN H H 196 9.490 9.548 -0.058 1 1 535 . 11 1 1 A 54 54 GLN HA H 196 4.032 4.029 0.003 1 1 541 . 11 1 1 A 54 54 GLN C C 196 174.503 174.774 -0.271 1 1 542 . 11 1 1 A 54 54 GLN CA C 196 58.036 57.867 0.169 1 1 543 . 11 1 1 A 54 54 GLN CB C 196 26.208 26.642 -0.434 1 1 544 . 11 1 1 A 54 54 GLN N N 196 115.882 115.790 0.092 1 1 546 . 11 1 1 A 55 55 ASP H H 197 7.798 7.648 0.150 1 1 547 . 11 1 1 A 55 55 ASP HA H 197 4.757 5.493 -0.736 1 1 550 . 11 1 1 A 55 55 ASP C C 197 174.629 175.713 -1.084 1 1 551 . 11 1 1 A 55 55 ASP CA C 197 55.315 54.665 0.650 1 1 552 . 11 1 1 A 55 55 ASP CB C 197 41.416 41.432 -0.016 1 1 553 . 11 1 1 A 55 55 ASP N N 197 121.039 120.505 0.534 1 1 554 . 11 1 1 A 56 56 ARG H H 198 8.938 9.692 -0.754 1 1 555 . 11 1 1 A 56 56 ARG HA H 198 4.430 4.654 -0.224 1 1 557 . 11 1 1 A 56 56 ARG C C 198 174.400 175.816 -1.416 1 1 558 . 11 1 1 A 56 56 ARG CA C 198 54.273 55.559 -1.286 1 1 559 . 11 1 1 A 56 56 ARG CB C 198 32.499 31.527 0.972 1 1 560 . 11 1 1 A 56 56 ARG N N 198 122.032 123.100 -1.068 1 1 561 . 11 1 1 A 57 57 ILE H H 199 8.179 8.879 -0.700 1 1 562 . 11 1 1 A 57 57 ILE HA H 199 3.746 4.113 -0.367 1 1 572 . 11 1 1 A 57 57 ILE C C 199 174.272 175.723 -1.451 1 1 573 . 11 1 1 A 57 57 ILE CA C 199 62.349 61.885 0.464 1 1 574 . 11 1 1 A 57 57 ILE CB C 199 38.071 37.105 0.966 1 1 578 . 11 1 1 A 57 57 ILE N N 199 124.246 125.157 -0.911 1 1 579 . 11 1 1 A 58 58 VAL H H 200 9.389 9.468 -0.079 1 1 580 . 11 1 1 A 58 58 VAL HA H 200 4.107 4.079 0.028 1 1 588 . 11 1 1 A 58 58 VAL C C 200 176.755 176.398 0.357 1 1 589 . 11 1 1 A 58 58 VAL CA C 200 63.067 63.865 -0.798 1 1 590 . 11 1 1 A 58 58 VAL CB C 200 32.894 32.537 0.357 1 1 592 . 11 1 1 A 58 58 VAL N N 200 127.780 128.679 -0.899 1 1 593 . 11 1 1 A 59 59 GLU H H 201 7.850 7.531 0.319 1 1 594 . 11 1 1 A 59 59 GLU HA H 201 5.126 5.077 0.049 1 1 598 . 11 1 1 A 59 59 GLU C C 201 175.123 174.029 1.094 1 1 599 . 11 1 1 A 59 59 GLU CA C 201 54.610 54.778 -0.168 1 1 600 . 11 1 1 A 59 59 GLU CB C 201 34.407 32.892 1.515 1 1 602 . 11 1 1 A 59 59 GLU N N 201 116.847 115.781 1.066 1 1 603 . 11 1 1 A 60 60 VAL H H 202 8.110 8.396 -0.286 1 1 604 . 11 1 1 A 60 60 VAL HA H 202 4.433 4.442 -0.009 1 1 612 . 11 1 1 A 60 60 VAL C C 202 175.772 176.203 -0.431 1 1 613 . 11 1 1 A 60 60 VAL CA C 202 60.952 61.517 -0.565 1 1 614 . 11 1 1 A 60 60 VAL CB C 202 33.802 34.251 -0.449 1 1 616 . 11 1 1 A 60 60 VAL N N 202 118.751 119.467 -0.716 1 1 617 . 11 1 1 A 61 61 ASN H H 203 9.900 10.126 -0.226 1 1 618 . 11 1 1 A 61 61 ASN HA H 203 4.312 4.409 -0.097 1 1 621 . 11 1 1 A 61 61 ASN C C 203 174.718 174.476 0.242 1 1 622 . 11 1 1 A 61 61 ASN CA C 203 54.260 54.134 0.126 1 1 623 . 11 1 1 A 61 61 ASN CB C 203 36.965 37.460 -0.495 1 1 624 . 11 1 1 A 61 61 ASN N N 203 128.765 125.756 3.009 1 1 625 . 11 1 1 A 62 62 GLY H H 204 9.192 8.323 0.869 1 1 626 . 11 1 1 A 62 62 GLY HA2 H 204 3.979 3.921 0.058 1 1 627 . 11 1 1 A 62 62 GLY HA3 H 204 3.734 3.922 -0.188 1 1 628 . 11 1 1 A 62 62 GLY C C 204 173.240 174.534 -1.294 1 1 629 . 11 1 1 A 62 62 GLY CA C 204 44.996 45.060 -0.064 1 1 630 . 11 1 1 A 62 62 GLY N N 204 103.295 104.635 -1.340 1 1 631 . 11 1 1 A 63 63 VAL H H 205 7.792 7.441 0.351 1 1 632 . 11 1 1 A 63 63 VAL HA H 205 4.085 4.159 -0.074 1 1 637 . 11 1 1 A 63 63 VAL C C 205 174.605 174.688 -0.083 1 1 638 . 11 1 1 A 63 63 VAL CA C 205 61.373 61.429 -0.056 1 1 639 . 11 1 1 A 63 63 VAL CB C 205 32.623 31.357 1.266 1 1 642 . 11 1 1 A 63 63 VAL N N 205 122.193 119.426 2.767 1 1 643 . 11 1 1 A 64 64 CYS H H 206 8.878 8.538 0.340 1 1 644 . 11 1 1 A 64 64 CYS HA H 206 4.265 4.765 -0.500 1 1 647 . 11 1 1 A 64 64 CYS C C 206 176.086 173.970 2.116 1 1 648 . 11 1 1 A 64 64 CYS CA C 206 61.148 57.977 3.171 1 1 649 . 11 1 1 A 64 64 CYS CB C 206 27.938 28.174 -0.236 1 1 650 . 11 1 1 A 64 64 CYS N N 206 128.575 127.802 0.773 1 1 651 . 11 1 1 A 65 65 MET H H 207 8.413 8.635 -0.222 1 1 652 . 11 1 1 A 65 65 MET HA H 207 4.877 5.181 -0.304 1 1 654 . 11 1 1 A 65 65 MET CA C 207 52.697 54.451 -1.754 1 1 655 . 11 1 1 A 65 65 MET CB C 207 33.908 35.012 -1.104 1 1 656 . 11 1 1 A 65 65 MET N N 207 125.926 127.250 -1.324 1 1 657 . 11 1 1 A 66 66 GLU H H 208 8.768 8.791 -0.023 1 1 658 . 11 1 1 A 66 66 GLU HA H 208 4.187 4.156 0.031 1 1 662 . 11 1 1 A 66 66 GLU C C 208 177.644 177.030 0.614 1 1 663 . 11 1 1 A 66 66 GLU CA C 208 58.586 58.161 0.425 1 1 664 . 11 1 1 A 66 66 GLU CB C 208 28.916 29.555 -0.639 1 1 665 . 11 1 1 A 67 67 GLY H H 209 9.144 9.010 0.134 1 1 666 . 11 1 1 A 67 67 GLY HA2 H 209 4.156 4.026 0.130 1 1 667 . 11 1 1 A 67 67 GLY HA3 H 209 3.746 4.044 -0.298 1 1 668 . 11 1 1 A 67 67 GLY C C 209 173.880 174.940 -1.060 1 1 669 . 11 1 1 A 67 67 GLY CA C 209 45.339 45.220 0.119 1 1 670 . 11 1 1 A 67 67 GLY N N 209 114.503 114.928 -0.425 1 1 671 . 11 1 1 A 68 68 LYS H H 210 7.585 7.283 0.302 1 1 672 . 11 1 1 A 68 68 LYS HA H 210 4.550 4.261 0.289 1 1 675 . 11 1 1 A 68 68 LYS C C 210 176.239 175.780 0.459 1 1 676 . 11 1 1 A 68 68 LYS CA C 210 54.802 56.608 -1.806 1 1 677 . 11 1 1 A 68 68 LYS CB C 210 32.493 33.803 -1.310 1 1 679 . 11 1 1 A 68 68 LYS N N 210 119.299 120.261 -0.962 1 1 680 . 11 1 1 A 69 69 GLN H H 211 9.176 8.869 0.307 1 1 681 . 11 1 1 A 69 69 GLN HA H 211 4.534 4.534 0.000 1 1 688 . 11 1 1 A 69 69 GLN C C 211 176.499 177.407 -0.908 1 1 689 . 11 1 1 A 69 69 GLN CA C 211 54.286 54.706 -0.420 1 1 690 . 11 1 1 A 69 69 GLN CB C 211 30.414 30.214 0.200 1 1 692 . 11 1 1 A 69 69 GLN N N 211 119.518 120.508 -0.990 1 1 694 . 11 1 1 A 70 70 HIS H H 212 9.097 9.102 -0.005 1 1 695 . 11 1 1 A 70 70 HIS HA H 212 3.866 4.062 -0.196 1 1 698 . 11 1 1 A 70 70 HIS C C 212 176.987 177.086 -0.099 1 1 699 . 11 1 1 A 70 70 HIS CA C 212 61.326 59.646 1.680 1 1 700 . 11 1 1 A 70 70 HIS CB C 212 30.480 30.361 0.119 1 1 701 . 11 1 1 A 70 70 HIS N N 212 122.474 123.060 -0.586 1 1 702 . 11 1 1 A 71 71 GLY H H 213 9.138 8.546 0.592 1 1 703 . 11 1 1 A 71 71 GLY HA2 H 213 3.930 3.483 0.447 1 1 704 . 11 1 1 A 71 71 GLY HA3 H 213 3.693 3.613 0.080 1 1 705 . 11 1 1 A 71 71 GLY C C 213 176.374 176.040 0.334 1 1 706 . 11 1 1 A 71 71 GLY CA C 213 46.837 46.885 -0.048 1 1 707 . 11 1 1 A 71 71 GLY N N 213 103.821 106.453 -2.632 1 1 708 . 11 1 1 A 72 72 ASP H H 214 7.344 7.793 -0.449 1 1 709 . 11 1 1 A 72 72 ASP HA H 214 4.499 4.327 0.172 1 1 712 . 11 1 1 A 72 72 ASP C C 214 178.391 178.808 -0.417 1 1 713 . 11 1 1 A 72 72 ASP CA C 214 56.650 56.667 -0.017 1 1 714 . 11 1 1 A 72 72 ASP CB C 214 41.284 41.076 0.208 1 1 715 . 11 1 1 A 72 72 ASP N N 214 120.357 122.699 -2.342 1 1 716 . 11 1 1 A 73 73 VAL H H 215 7.697 8.277 -0.580 1 1 717 . 11 1 1 A 73 73 VAL HA H 215 3.804 3.655 0.149 1 1 725 . 11 1 1 A 73 73 VAL C C 215 177.258 178.499 -1.241 1 1 726 . 11 1 1 A 73 73 VAL CA C 215 65.957 66.086 -0.129 1 1 727 . 11 1 1 A 73 73 VAL CB C 215 31.411 31.591 -0.180 1 1 730 . 11 1 1 A 73 73 VAL N N 215 123.318 120.431 2.887 1 1 731 . 11 1 1 A 74 74 VAL H H 216 8.144 8.375 -0.231 1 1 732 . 11 1 1 A 74 74 VAL HA H 216 3.474 3.555 -0.081 1 1 740 . 11 1 1 A 74 74 VAL C C 216 178.839 178.343 0.496 1 1 741 . 11 1 1 A 74 74 VAL CA C 216 66.866 66.035 0.831 1 1 742 . 11 1 1 A 74 74 VAL CB C 216 31.496 31.177 0.319 1 1 745 . 11 1 1 A 74 74 VAL N N 216 118.785 121.271 -2.486 1 1 746 . 11 1 1 A 75 75 SER H H 217 8.153 8.596 -0.443 1 1 747 . 11 1 1 A 75 75 SER HA H 217 4.131 4.190 -0.059 1 1 750 . 11 1 1 A 75 75 SER C C 217 176.246 176.323 -0.077 1 1 751 . 11 1 1 A 75 75 SER CA C 217 62.198 61.769 0.429 1 1 752 . 11 1 1 A 75 75 SER CB C 217 65.986 63.028 2.958 1 1 753 . 11 1 1 A 75 75 SER N N 217 115.428 115.826 -0.398 1 1 754 . 11 1 1 A 76 76 ALA H H 218 7.873 8.331 -0.458 1 1 755 . 11 1 1 A 76 76 ALA HA H 218 4.220 4.115 0.105 1 1 759 . 11 1 1 A 76 76 ALA C C 218 180.251 179.964 0.287 1 1 760 . 11 1 1 A 76 76 ALA CA C 218 54.649 55.233 -0.584 1 1 761 . 11 1 1 A 76 76 ALA CB C 218 17.519 18.119 -0.600 1 1 762 . 11 1 1 A 76 76 ALA N N 218 125.449 123.068 2.381 1 1 763 . 11 1 1 A 77 77 ILE H H 219 8.357 7.706 0.651 1 1 764 . 11 1 1 A 77 77 ILE HA H 219 3.511 3.589 -0.078 1 1 774 . 11 1 1 A 77 77 ILE C C 219 181.394 177.924 3.470 1 1 775 . 11 1 1 A 77 77 ILE CA C 219 65.003 65.413 -0.410 1 1 776 . 11 1 1 A 77 77 ILE CB C 219 38.374 37.905 0.469 1 1 779 . 11 1 1 A 77 77 ILE N N 219 119.293 118.079 1.214 1 1 780 . 11 1 1 A 78 78 ARG H H 220 8.817 7.968 0.849 1 1 781 . 11 1 1 A 78 78 ARG HA H 220 4.162 3.916 0.246 1 1 786 . 11 1 1 A 78 78 ARG C C 220 178.163 178.237 -0.074 1 1 787 . 11 1 1 A 78 78 ARG CA C 220 59.499 59.873 -0.374 1 1 788 . 11 1 1 A 78 78 ARG CB C 220 30.018 30.160 -0.142 1 1 790 . 11 1 1 A 78 78 ARG N N 220 124.633 121.948 2.685 1 1 791 . 11 1 1 A 79 79 ALA H H 221 8.207 7.903 0.304 1 1 792 . 11 1 1 A 79 79 ALA HA H 221 4.223 4.212 0.011 1 1 796 . 11 1 1 A 79 79 ALA C C 221 178.343 178.186 0.157 1 1 797 . 11 1 1 A 79 79 ALA CA C 221 54.107 52.760 1.347 1 1 798 . 11 1 1 A 79 79 ALA CB C 221 18.055 18.674 -0.619 1 1 799 . 11 1 1 A 79 79 ALA N N 221 120.984 120.553 0.431 1 1 800 . 11 1 1 A 80 80 GLY H H 222 7.239 7.905 -0.666 1 1 801 . 11 1 1 A 80 80 GLY HA2 H 222 4.287 3.971 0.316 1 1 802 . 11 1 1 A 80 80 GLY C C 222 174.203 174.530 -0.327 1 1 803 . 11 1 1 A 80 80 GLY CA C 222 44.921 45.234 -0.313 1 1 804 . 11 1 1 A 80 80 GLY N N 222 102.308 107.232 -4.924 1 1 805 . 11 1 1 A 81 81 GLY H H 223 7.873 8.173 -0.300 1 1 806 . 11 1 1 A 81 81 GLY HA2 H 223 4.229 3.803 0.426 1 1 807 . 11 1 1 A 81 81 GLY HA3 H 223 3.735 3.806 -0.071 1 1 808 . 11 1 1 A 81 81 GLY C C 223 174.031 174.904 -0.873 1 1 809 . 11 1 1 A 81 81 GLY CA C 223 46.465 46.839 -0.374 1 1 810 . 11 1 1 A 81 81 GLY N N 223 107.624 107.119 0.505 1 1 811 . 11 1 1 A 82 82 ASP H H 224 9.157 8.728 0.429 1 1 812 . 11 1 1 A 82 82 ASP HA H 224 4.625 4.589 0.036 1 1 815 . 11 1 1 A 82 82 ASP C C 224 173.254 175.992 -2.738 1 1 816 . 11 1 1 A 82 82 ASP CA C 224 54.408 54.549 -0.141 1 1 817 . 11 1 1 A 82 82 ASP CB C 224 40.829 41.787 -0.958 1 1 818 . 11 1 1 A 82 82 ASP N N 224 128.466 126.343 2.123 1 1 819 . 11 1 1 A 83 83 GLU H H 225 7.479 7.592 -0.113 1 1 820 . 11 1 1 A 83 83 GLU HA H 225 5.454 4.734 0.720 1 1 825 . 11 1 1 A 83 83 GLU C C 225 175.120 175.444 -0.324 1 1 826 . 11 1 1 A 83 83 GLU CA C 225 54.723 55.697 -0.974 1 1 827 . 11 1 1 A 83 83 GLU CB C 225 33.927 31.619 2.308 1 1 829 . 11 1 1 A 83 83 GLU N N 225 118.419 119.951 -1.532 1 1 830 . 11 1 1 A 84 84 THR H H 226 8.759 9.088 -0.329 1 1 831 . 11 1 1 A 84 84 THR HA H 226 4.680 4.800 -0.120 1 1 836 . 11 1 1 A 84 84 THR C C 226 170.497 173.607 -3.110 1 1 837 . 11 1 1 A 84 84 THR CA C 226 62.538 61.893 0.645 1 1 838 . 11 1 1 A 84 84 THR CB C 226 70.389 69.238 1.151 1 1 840 . 11 1 1 A 84 84 THR N N 226 116.177 122.346 -6.169 1 1 841 . 11 1 1 A 85 85 LYS H H 227 7.829 8.979 -1.150 1 1 842 . 11 1 1 A 85 85 LYS HA H 227 5.085 4.716 0.369 1 1 847 . 11 1 1 A 85 85 LYS C C 227 174.884 175.156 -0.272 1 1 848 . 11 1 1 A 85 85 LYS CA C 227 54.338 55.752 -1.414 1 1 849 . 11 1 1 A 85 85 LYS CB C 227 34.154 32.199 1.955 1 1 853 . 11 1 1 A 85 85 LYS N N 227 125.540 127.669 -2.129 1 1 854 . 11 1 1 A 86 86 LEU H H 228 8.977 9.191 -0.214 1 1 855 . 11 1 1 A 86 86 LEU HA H 228 5.049 5.055 -0.006 1 1 864 . 11 1 1 A 86 86 LEU C C 228 174.337 175.276 -0.939 1 1 865 . 11 1 1 A 86 86 LEU CA C 228 52.201 53.436 -1.235 1 1 866 . 11 1 1 A 86 86 LEU CB C 228 44.238 44.838 -0.600 1 1 867 . 11 1 1 A 86 86 LEU N N 228 125.294 126.326 -1.032 1 1 868 . 11 1 1 A 87 87 LEU H H 229 8.619 8.629 -0.010 1 1 869 . 11 1 1 A 87 87 LEU HA H 229 5.244 5.180 0.064 1 1 875 . 11 1 1 A 87 87 LEU C C 229 175.951 175.364 0.587 1 1 876 . 11 1 1 A 87 87 LEU CA C 229 53.857 53.553 0.304 1 1 877 . 11 1 1 A 87 87 LEU CB C 229 43.711 44.306 -0.595 1 1 878 . 11 1 1 A 87 87 LEU N N 229 128.223 127.103 1.120 1 1 879 . 11 1 1 A 88 88 VAL H H 230 9.291 8.765 0.526 1 1 880 . 11 1 1 A 88 88 VAL HA H 230 5.627 5.383 0.244 1 1 888 . 11 1 1 A 88 88 VAL C C 230 174.077 174.029 0.048 1 1 889 . 11 1 1 A 88 88 VAL CA C 230 58.217 58.856 -0.639 1 1 890 . 11 1 1 A 88 88 VAL CB C 230 36.697 35.254 1.443 1 1 893 . 11 1 1 A 88 88 VAL N N 230 120.780 121.208 -0.428 1 1 894 . 11 1 1 A 89 89 VAL H H 231 8.241 8.691 -0.450 1 1 895 . 11 1 1 A 89 89 VAL HA H 231 4.814 4.495 0.319 1 1 903 . 11 1 1 A 89 89 VAL C C 231 174.661 175.112 -0.451 1 1 904 . 11 1 1 A 89 89 VAL CA C 231 58.524 60.594 -2.070 1 1 905 . 11 1 1 A 89 89 VAL CB C 231 35.588 34.888 0.700 1 1 908 . 11 1 1 A 89 89 VAL N N 231 110.935 121.809 -10.874 1 1 909 . 11 1 1 A 90 90 ASP H H 232 7.841 8.532 -0.691 1 1 910 . 11 1 1 A 90 90 ASP HA H 232 4.883 4.424 0.459 1 1 913 . 11 1 1 A 90 90 ASP C C 232 175.406 177.500 -2.094 1 1 914 . 11 1 1 A 90 90 ASP CA C 232 52.420 54.597 -2.177 1 1 915 . 11 1 1 A 90 90 ASP CB C 232 41.621 42.863 -1.242 1 1 916 . 11 1 1 A 90 90 ASP N N 232 122.442 127.696 -5.254 1 1 917 . 11 1 1 A 91 91 ARG H H 233 8.780 8.855 -0.075 1 1 918 . 11 1 1 A 91 91 ARG HA H 233 4.228 3.828 0.400 1 1 921 . 11 1 1 A 91 91 ARG C C 233 177.865 177.995 -0.130 1 1 922 . 11 1 1 A 91 91 ARG CA C 233 58.821 58.938 -0.117 1 1 923 . 11 1 1 A 91 91 ARG CB C 233 29.977 29.791 0.186 1 1 925 . 11 1 1 A 91 91 ARG N N 233 120.292 125.685 -5.393 1 1 926 . 11 1 1 A 92 92 GLU H H 234 8.663 8.359 0.304 1 1 927 . 11 1 1 A 92 92 GLU HA H 234 4.071 4.034 0.037 1 1 932 . 11 1 1 A 92 92 GLU C C 234 178.395 178.208 0.187 1 1 933 . 11 1 1 A 92 92 GLU CA C 234 59.115 59.140 -0.025 1 1 934 . 11 1 1 A 92 92 GLU CB C 234 29.131 29.405 -0.274 1 1 936 . 11 1 1 A 92 92 GLU N N 234 119.448 118.224 1.224 1 1 937 . 11 1 1 A 93 93 THR H H 235 8.255 8.556 -0.301 1 1 938 . 11 1 1 A 93 93 THR HA H 235 3.975 4.227 -0.252 1 1 943 . 11 1 1 A 93 93 THR C C 235 175.146 175.866 -0.720 1 1 944 . 11 1 1 A 93 93 THR CA C 235 65.516 65.063 0.453 1 1 945 . 11 1 1 A 93 93 THR CB C 235 68.363 68.758 -0.395 1 1 947 . 11 1 1 A 93 93 THR N N 235 117.260 116.510 0.750 1 1 948 . 11 1 1 A 94 94 ASP H H 236 8.302 8.005 0.297 1 1 949 . 11 1 1 A 94 94 ASP HA H 236 4.557 4.392 0.165 1 1 952 . 11 1 1 A 94 94 ASP C C 236 177.739 178.289 -0.550 1 1 953 . 11 1 1 A 94 94 ASP CA C 236 55.460 57.480 -2.020 1 1 954 . 11 1 1 A 94 94 ASP CB C 236 41.093 41.940 -0.847 1 1 955 . 11 1 1 A 94 94 ASP N N 236 122.075 121.751 0.324 1 1 956 . 11 1 1 A 95 95 GLU H H 237 8.084 8.610 -0.526 1 1 957 . 11 1 1 A 95 95 GLU HA H 237 4.032 4.103 -0.071 1 1 961 . 11 1 1 A 95 95 GLU C C 237 176.899 178.833 -1.934 1 1 962 . 11 1 1 A 95 95 GLU CA C 237 57.612 59.217 -1.605 1 1 963 . 11 1 1 A 95 95 GLU CB C 237 29.393 29.281 0.112 1 1 965 . 11 1 1 A 95 95 GLU N N 237 117.733 117.437 0.296 1 1 966 . 11 1 1 A 96 96 PHE H H 238 7.927 8.833 -0.906 1 1 967 . 11 1 1 A 96 96 PHE HA H 238 4.363 4.200 0.163 1 1 974 . 11 1 1 A 96 96 PHE C C 238 175.655 177.826 -2.171 1 1 975 . 11 1 1 A 96 96 PHE CA C 238 59.139 61.632 -2.493 1 1 976 . 11 1 1 A 96 96 PHE CB C 238 39.723 39.293 0.430 1 1 977 . 11 1 1 A 96 96 PHE N N 238 119.312 121.245 -1.933 1 1 978 . 11 1 1 A 97 97 PHE H H 239 7.896 9.054 -1.158 1 1 979 . 11 1 1 A 97 97 PHE HA H 239 4.506 4.012 0.494 1 1 986 . 11 1 1 A 97 97 PHE C C 239 174.173 177.398 -3.225 1 1 987 . 11 1 1 A 97 97 PHE CA C 239 58.034 60.936 -2.902 1 1 988 . 11 1 1 A 97 97 PHE CB C 239 39.447 39.507 -0.060 1 1 989 . 11 1 1 A 97 97 PHE N N 239 119.260 120.145 -0.885 1 1 1 . 12 1 1 A 2 2 ILE HA H 144 4.171 4.743 -0.572 1 1 11 . 12 1 1 A 2 2 ILE C C 144 175.446 173.952 1.494 1 1 12 . 12 1 1 A 2 2 ILE CA C 144 60.547 60.310 0.237 1 1 13 . 12 1 1 A 2 2 ILE CB C 144 38.500 39.666 -1.166 1 1 17 . 12 1 1 A 3 3 ASP H H 145 8.584 8.508 0.076 1 1 18 . 12 1 1 A 3 3 ASP HA H 145 4.879 5.096 -0.217 1 1 21 . 12 1 1 A 3 3 ASP CA C 145 51.583 50.851 0.732 1 1 22 . 12 1 1 A 3 3 ASP CB C 145 41.044 42.990 -1.946 1 1 23 . 12 1 1 A 3 3 ASP N N 145 127.098 129.431 -2.333 1 1 24 . 12 1 1 A 4 4 PRO HA H 146 4.290 4.381 -0.091 1 1 31 . 12 1 1 A 4 4 PRO C C 146 176.840 178.288 -1.448 1 1 32 . 12 1 1 A 4 4 PRO CA C 146 63.386 65.801 -2.415 1 1 33 . 12 1 1 A 4 4 PRO CB C 146 31.799 31.815 -0.016 1 1 36 . 12 1 1 A 5 5 PHE H H 147 8.323 7.951 0.372 1 1 37 . 12 1 1 A 5 5 PHE HA H 147 4.550 4.213 0.337 1 1 44 . 12 1 1 A 5 5 PHE C C 147 176.081 175.144 0.937 1 1 45 . 12 1 1 A 5 5 PHE CA C 147 58.224 61.335 -3.111 1 1 46 . 12 1 1 A 5 5 PHE CB C 147 38.571 39.724 -1.153 1 1 47 . 12 1 1 A 5 5 PHE N N 147 118.510 118.406 0.104 1 1 48 . 12 1 1 A 6 6 THR H H 148 7.769 8.304 -0.535 1 1 49 . 12 1 1 A 6 6 THR HA H 148 4.195 4.713 -0.518 1 1 54 . 12 1 1 A 6 6 THR C C 148 173.870 174.744 -0.874 1 1 55 . 12 1 1 A 6 6 THR CA C 148 62.114 60.444 1.670 1 1 56 . 12 1 1 A 6 6 THR CB C 148 69.325 71.176 -1.851 1 1 58 . 12 1 1 A 6 6 THR N N 148 114.321 109.055 5.266 1 1 59 . 12 1 1 A 7 7 MET H H 149 8.101 8.773 -0.672 1 1 60 . 12 1 1 A 7 7 MET HA H 149 4.438 4.781 -0.343 1 1 65 . 12 1 1 A 7 7 MET C C 149 175.544 177.106 -1.562 1 1 66 . 12 1 1 A 7 7 MET CA C 149 55.218 55.659 -0.441 1 1 67 . 12 1 1 A 7 7 MET CB C 149 32.224 33.971 -1.747 1 1 69 . 12 1 1 A 7 7 MET N N 149 121.779 120.969 0.810 1 1 70 . 12 1 1 A 8 8 LEU H H 150 8.110 8.056 0.054 1 1 71 . 12 1 1 A 8 8 LEU HA H 150 4.467 4.215 0.252 1 1 81 . 12 1 1 A 8 8 LEU C C 150 175.439 176.452 -1.013 1 1 82 . 12 1 1 A 8 8 LEU CA C 150 54.333 56.638 -2.305 1 1 83 . 12 1 1 A 8 8 LEU CB C 150 40.631 42.213 -1.582 1 1 86 . 12 1 1 A 8 8 LEU N N 150 123.383 120.565 2.818 1 1 87 . 12 1 1 A 9 9 ARG H H 151 7.900 7.502 0.398 1 1 88 . 12 1 1 A 9 9 ARG HA H 151 4.769 4.435 0.334 1 1 93 . 12 1 1 A 9 9 ARG CA C 151 52.792 55.580 -2.788 1 1 94 . 12 1 1 A 9 9 ARG CB C 151 30.717 30.335 0.382 1 1 96 . 12 1 1 A 9 9 ARG N N 151 119.907 118.520 1.387 1 1 97 . 12 1 1 A 10 10 PRO HA H 152 4.546 4.655 -0.109 1 1 104 . 12 1 1 A 10 10 PRO C C 152 175.520 175.481 0.039 1 1 105 . 12 1 1 A 10 10 PRO CA C 152 62.580 62.615 -0.035 1 1 106 . 12 1 1 A 10 10 PRO CB C 152 31.507 32.673 -1.166 1 1 109 . 12 1 1 A 11 11 ARG H H 153 8.987 9.056 -0.069 1 1 110 . 12 1 1 A 11 11 ARG HA H 153 4.462 4.863 -0.401 1 1 113 . 12 1 1 A 11 11 ARG C C 153 173.260 174.161 -0.901 1 1 114 . 12 1 1 A 11 11 ARG CA C 153 54.652 54.272 0.380 1 1 115 . 12 1 1 A 11 11 ARG CB C 153 32.449 34.277 -1.828 1 1 116 . 12 1 1 A 11 11 ARG N N 153 122.642 120.553 2.089 1 1 117 . 12 1 1 A 12 12 LEU H H 154 8.675 8.755 -0.080 1 1 118 . 12 1 1 A 12 12 LEU HA H 154 4.926 4.932 -0.006 1 1 127 . 12 1 1 A 12 12 LEU C C 154 176.282 174.971 1.311 1 1 128 . 12 1 1 A 12 12 LEU CA C 154 53.222 53.966 -0.744 1 1 129 . 12 1 1 A 12 12 LEU CB C 154 42.382 44.048 -1.666 1 1 132 . 12 1 1 A 12 12 LEU N N 154 125.776 123.611 2.165 1 1 133 . 12 1 1 A 13 13 CYS H H 155 9.509 9.430 0.079 1 1 134 . 12 1 1 A 13 13 CYS HA H 155 4.762 5.257 -0.495 1 1 137 . 12 1 1 A 13 13 CYS C C 155 173.211 173.277 -0.066 1 1 138 . 12 1 1 A 13 13 CYS CA C 155 57.646 57.164 0.482 1 1 139 . 12 1 1 A 13 13 CYS CB C 155 28.495 30.656 -2.161 1 1 140 . 12 1 1 A 13 13 CYS N N 155 130.053 126.370 3.683 1 1 141 . 12 1 1 A 14 14 THR H H 156 8.979 9.521 -0.542 1 1 142 . 12 1 1 A 14 14 THR HA H 156 4.927 5.066 -0.139 1 1 147 . 12 1 1 A 14 14 THR C C 156 172.990 173.658 -0.668 1 1 148 . 12 1 1 A 14 14 THR CA C 156 61.216 61.408 -0.192 1 1 149 . 12 1 1 A 14 14 THR CB C 156 69.306 70.939 -1.633 1 1 151 . 12 1 1 A 14 14 THR N N 156 122.811 121.229 1.582 1 1 152 . 12 1 1 A 15 15 MET H H 157 8.889 8.738 0.151 1 1 153 . 12 1 1 A 15 15 MET HA H 157 5.006 5.414 -0.408 1 1 157 . 12 1 1 A 15 15 MET C C 157 176.000 174.750 1.250 1 1 158 . 12 1 1 A 15 15 MET CA C 157 54.167 53.350 0.817 1 1 159 . 12 1 1 A 15 15 MET CB C 157 39.030 34.727 4.303 1 1 160 . 12 1 1 A 15 15 MET N N 157 121.855 124.401 -2.546 1 1 161 . 12 1 1 A 16 16 LYS H H 158 8.614 8.933 -0.319 1 1 162 . 12 1 1 A 16 16 LYS HA H 158 5.262 4.705 0.557 1 1 167 . 12 1 1 A 16 16 LYS C C 158 175.677 177.222 -1.545 1 1 168 . 12 1 1 A 16 16 LYS CA C 158 54.283 55.381 -1.098 1 1 169 . 12 1 1 A 16 16 LYS CB C 158 34.677 33.331 1.346 1 1 172 . 12 1 1 A 16 16 LYS N N 158 122.373 123.178 -0.805 1 1 173 . 12 1 1 A 17 17 LYS H H 159 8.519 9.395 -0.876 1 1 174 . 12 1 1 A 17 17 LYS HA H 159 3.208 3.725 -0.517 1 1 179 . 12 1 1 A 17 17 LYS C C 159 176.799 176.336 0.463 1 1 180 . 12 1 1 A 17 17 LYS CA C 159 58.532 59.394 -0.862 1 1 181 . 12 1 1 A 17 17 LYS CB C 159 33.471 32.285 1.186 1 1 184 . 12 1 1 A 17 17 LYS N N 159 123.623 126.843 -3.220 1 1 185 . 12 1 1 A 18 18 GLY H H 160 7.222 7.767 -0.545 1 1 186 . 12 1 1 A 18 18 GLY HA2 H 160 4.578 3.977 0.601 1 1 187 . 12 1 1 A 18 18 GLY HA3 H 160 3.950 3.980 -0.030 1 1 188 . 12 1 1 A 18 18 GLY CA C 160 44.160 44.953 -0.793 1 1 189 . 12 1 1 A 18 18 GLY N N 160 111.304 107.182 4.122 1 1 190 . 12 1 1 A 19 19 PRO HA H 161 4.307 4.496 -0.189 1 1 197 . 12 1 1 A 19 19 PRO C C 161 177.523 177.007 0.516 1 1 198 . 12 1 1 A 19 19 PRO CA C 161 64.766 63.935 0.831 1 1 199 . 12 1 1 A 19 19 PRO CB C 161 31.509 32.574 -1.065 1 1 202 . 12 1 1 A 20 20 SER H H 162 8.462 7.218 1.244 1 1 203 . 12 1 1 A 20 20 SER HA H 162 4.708 4.441 0.267 1 1 206 . 12 1 1 A 20 20 SER C C 162 173.887 174.371 -0.484 1 1 207 . 12 1 1 A 20 20 SER CA C 162 56.541 58.800 -2.259 1 1 208 . 12 1 1 A 20 20 SER CB C 162 63.086 64.935 -1.849 1 1 209 . 12 1 1 A 20 20 SER N N 162 111.594 111.874 -0.280 1 1 210 . 12 1 1 A 21 21 GLY H H 163 7.730 7.786 -0.056 1 1 211 . 12 1 1 A 21 21 GLY HA2 H 163 4.477 3.763 0.714 1 1 212 . 12 1 1 A 21 21 GLY HA3 H 163 3.242 3.927 -0.685 1 1 213 . 12 1 1 A 21 21 GLY CA C 163 43.895 44.473 -0.578 1 1 214 . 12 1 1 A 21 21 GLY N N 163 108.656 108.871 -0.215 1 1 215 . 12 1 1 A 22 22 TYR H H 164 7.210 8.451 -1.241 1 1 216 . 12 1 1 A 22 22 TYR HA H 164 4.366 4.342 0.024 1 1 223 . 12 1 1 A 22 22 TYR C C 164 176.198 176.385 -0.187 1 1 224 . 12 1 1 A 22 22 TYR CA C 164 60.930 60.470 0.460 1 1 225 . 12 1 1 A 22 22 TYR CB C 164 40.660 39.247 1.413 1 1 226 . 12 1 1 A 23 23 GLY H H 165 8.600 9.038 -0.438 1 1 227 . 12 1 1 A 23 23 GLY HA2 H 165 4.511 3.929 0.582 1 1 228 . 12 1 1 A 23 23 GLY HA3 H 165 3.886 3.972 -0.086 1 1 229 . 12 1 1 A 23 23 GLY C C 165 172.930 173.625 -0.695 1 1 230 . 12 1 1 A 23 23 GLY CA C 165 45.013 46.094 -1.081 1 1 231 . 12 1 1 A 23 23 GLY N N 165 103.183 108.065 -4.882 1 1 232 . 12 1 1 A 24 24 PHE H H 166 6.855 7.920 -1.065 1 1 233 . 12 1 1 A 24 24 PHE HA H 166 5.629 5.085 0.544 1 1 241 . 12 1 1 A 24 24 PHE C C 166 172.417 172.725 -0.308 1 1 242 . 12 1 1 A 24 24 PHE CA C 166 54.693 56.331 -1.638 1 1 243 . 12 1 1 A 24 24 PHE CB C 166 42.235 41.077 1.158 1 1 244 . 12 1 1 A 24 24 PHE N N 166 111.547 115.027 -3.480 1 1 245 . 12 1 1 A 25 25 ASN H H 167 8.121 9.409 -1.288 1 1 246 . 12 1 1 A 25 25 ASN HA H 167 5.097 5.255 -0.158 1 1 251 . 12 1 1 A 25 25 ASN C C 167 174.068 173.914 0.154 1 1 252 . 12 1 1 A 25 25 ASN CA C 167 51.521 52.043 -0.522 1 1 253 . 12 1 1 A 25 25 ASN CB C 167 41.155 42.791 -1.636 1 1 254 . 12 1 1 A 25 25 ASN N N 167 117.619 117.106 0.513 1 1 256 . 12 1 1 A 26 26 LEU H H 168 9.287 8.640 0.647 1 1 257 . 12 1 1 A 26 26 LEU HA H 168 5.369 5.042 0.327 1 1 266 . 12 1 1 A 26 26 LEU C C 168 176.491 175.652 0.839 1 1 267 . 12 1 1 A 26 26 LEU CA C 168 54.171 53.616 0.555 1 1 268 . 12 1 1 A 26 26 LEU CB C 168 44.783 45.196 -0.413 1 1 272 . 12 1 1 A 26 26 LEU N N 168 123.933 120.712 3.221 1 1 273 . 12 1 1 A 27 27 HIS H H 169 9.466 9.613 -0.147 1 1 274 . 12 1 1 A 27 27 HIS HA H 169 4.922 5.490 -0.568 1 1 276 . 12 1 1 A 27 27 HIS CA C 169 56.019 53.431 2.588 1 1 277 . 12 1 1 A 27 27 HIS CB C 169 33.352 33.418 -0.066 1 1 278 . 12 1 1 A 27 27 HIS N N 169 119.976 119.979 -0.003 1 1 279 . 12 1 1 A 28 28 SER HA H 170 4.703 4.647 0.056 1 1 282 . 12 1 1 A 28 28 SER C C 170 172.451 172.936 -0.485 1 1 283 . 12 1 1 A 28 28 SER CA C 170 57.104 56.333 0.771 1 1 284 . 12 1 1 A 28 28 SER CB C 170 63.937 64.869 -0.932 1 1 285 . 12 1 1 A 29 29 ASP H H 171 9.230 8.488 0.742 1 1 286 . 12 1 1 A 29 29 ASP HA H 171 4.591 4.784 -0.193 1 1 289 . 12 1 1 A 29 29 ASP CA C 171 53.406 53.618 -0.212 1 1 290 . 12 1 1 A 29 29 ASP CB C 171 43.831 42.921 0.910 1 1 291 . 12 1 1 A 29 29 ASP N N 171 123.447 125.248 -1.801 1 1 292 . 12 1 1 A 30 30 LYS HA H 172 4.148 4.525 -0.377 1 1 298 . 12 1 1 A 30 30 LYS C C 172 176.768 176.276 0.492 1 1 299 . 12 1 1 A 30 30 LYS CA C 172 57.755 55.075 2.680 1 1 300 . 12 1 1 A 30 30 LYS CB C 172 31.872 33.628 -1.756 1 1 301 . 12 1 1 A 31 31 SER H H 173 8.803 8.650 0.153 1 1 302 . 12 1 1 A 31 31 SER HA H 173 4.419 4.732 -0.313 1 1 304 . 12 1 1 A 31 31 SER C C 173 173.570 174.645 -1.075 1 1 305 . 12 1 1 A 31 31 SER CA C 173 59.354 58.155 1.199 1 1 306 . 12 1 1 A 31 31 SER CB C 173 64.113 63.888 0.225 1 1 307 . 12 1 1 A 31 31 SER N N 173 115.001 118.203 -3.202 1 1 308 . 12 1 1 A 32 32 LYS H H 174 7.893 7.859 0.034 1 1 309 . 12 1 1 A 32 32 LYS HA H 174 4.804 4.397 0.407 1 1 316 . 12 1 1 A 32 32 LYS CA C 174 53.258 57.858 -4.600 1 1 317 . 12 1 1 A 32 32 LYS CB C 174 33.448 33.967 -0.519 1 1 321 . 12 1 1 A 32 32 LYS N N 174 122.863 118.125 4.738 1 1 322 . 12 1 1 A 33 33 PRO HA H 175 4.592 4.296 0.296 1 1 329 . 12 1 1 A 33 33 PRO C C 175 176.188 176.913 -0.725 1 1 330 . 12 1 1 A 33 33 PRO CA C 175 62.823 65.685 -2.862 1 1 331 . 12 1 1 A 33 33 PRO CB C 175 32.076 31.477 0.599 1 1 334 . 12 1 1 A 34 34 GLY H H 176 8.328 7.317 1.011 1 1 335 . 12 1 1 A 34 34 GLY HA2 H 176 4.179 4.017 0.162 1 1 336 . 12 1 1 A 34 34 GLY HA3 H 176 3.713 4.049 -0.336 1 1 337 . 12 1 1 A 34 34 GLY C C 176 172.298 170.806 1.492 1 1 338 . 12 1 1 A 34 34 GLY CA C 176 43.770 45.137 -1.367 1 1 339 . 12 1 1 A 34 34 GLY N N 176 108.419 103.310 5.109 1 1 340 . 12 1 1 A 35 35 GLN H H 177 8.673 8.320 0.353 1 1 341 . 12 1 1 A 35 35 GLN HA H 177 4.761 4.535 0.226 1 1 347 . 12 1 1 A 35 35 GLN C C 177 173.569 174.067 -0.498 1 1 348 . 12 1 1 A 35 35 GLN CA C 177 53.731 54.359 -0.628 1 1 349 . 12 1 1 A 35 35 GLN CB C 177 29.555 31.504 -1.949 1 1 351 . 12 1 1 A 35 35 GLN N N 177 117.933 120.925 -2.992 1 1 353 . 12 1 1 A 36 36 PHE H H 178 8.799 8.195 0.604 1 1 354 . 12 1 1 A 36 36 PHE HA H 178 5.447 4.901 0.546 1 1 361 . 12 1 1 A 36 36 PHE C C 178 175.427 175.490 -0.063 1 1 362 . 12 1 1 A 36 36 PHE CA C 178 55.349 56.871 -1.522 1 1 363 . 12 1 1 A 36 36 PHE CB C 178 42.486 43.358 -0.872 1 1 364 . 12 1 1 A 36 36 PHE N N 178 120.404 123.251 -2.847 1 1 365 . 12 1 1 A 37 37 ILE H H 179 9.203 8.781 0.422 1 1 366 . 12 1 1 A 37 37 ILE HA H 179 4.322 4.336 -0.014 1 1 376 . 12 1 1 A 37 37 ILE C C 179 176.207 177.127 -0.920 1 1 377 . 12 1 1 A 37 37 ILE CA C 179 58.611 61.543 -2.932 1 1 378 . 12 1 1 A 37 37 ILE CB C 179 34.911 38.368 -3.457 1 1 380 . 12 1 1 A 37 37 ILE N N 179 120.720 124.126 -3.406 1 1 381 . 12 1 1 A 38 38 ARG H H 180 9.453 8.878 0.575 1 1 382 . 12 1 1 A 38 38 ARG HA H 180 3.951 4.087 -0.136 1 1 389 . 12 1 1 A 38 38 ARG C C 180 175.332 176.107 -0.775 1 1 390 . 12 1 1 A 38 38 ARG CA C 180 58.035 56.454 1.581 1 1 391 . 12 1 1 A 38 38 ARG CB C 180 30.593 31.086 -0.493 1 1 393 . 12 1 1 A 38 38 ARG N N 180 132.453 123.628 8.825 1 1 394 . 12 1 1 A 39 39 SER H H 181 7.529 7.640 -0.111 1 1 395 . 12 1 1 A 39 39 SER HA H 181 4.553 4.718 -0.165 1 1 397 . 12 1 1 A 39 39 SER C C 181 170.792 172.173 -1.381 1 1 398 . 12 1 1 A 39 39 SER CA C 181 56.629 57.293 -0.664 1 1 399 . 12 1 1 A 39 39 SER CB C 181 64.756 65.295 -0.539 1 1 400 . 12 1 1 A 39 39 SER N N 181 109.145 113.285 -4.140 1 1 401 . 12 1 1 A 40 40 VAL H H 182 8.595 8.608 -0.013 1 1 402 . 12 1 1 A 40 40 VAL HA H 182 4.609 4.854 -0.245 1 1 410 . 12 1 1 A 40 40 VAL C C 182 175.150 173.883 1.267 1 1 411 . 12 1 1 A 40 40 VAL CA C 182 60.603 60.642 -0.039 1 1 412 . 12 1 1 A 40 40 VAL CB C 182 34.480 35.630 -1.150 1 1 415 . 12 1 1 A 40 40 VAL N N 182 119.939 123.461 -3.522 1 1 416 . 12 1 1 A 41 41 ASP H H 183 9.410 9.631 -0.221 1 1 417 . 12 1 1 A 41 41 ASP HA H 183 4.770 5.043 -0.273 1 1 420 . 12 1 1 A 41 41 ASP CA C 183 52.418 51.028 1.390 1 1 421 . 12 1 1 A 41 41 ASP CB C 183 39.357 42.252 -2.895 1 1 422 . 12 1 1 A 41 41 ASP N N 183 129.870 127.649 2.221 1 1 423 . 12 1 1 A 42 42 PRO HA H 184 4.551 4.345 0.206 1 1 429 . 12 1 1 A 42 42 PRO C C 184 176.520 177.109 -0.589 1 1 430 . 12 1 1 A 42 42 PRO CA C 184 62.915 63.780 -0.865 1 1 431 . 12 1 1 A 42 42 PRO CB C 184 31.844 31.716 0.128 1 1 434 . 12 1 1 A 43 43 ASP H H 185 9.250 8.958 0.292 1 1 435 . 12 1 1 A 43 43 ASP HA H 185 4.356 4.256 0.100 1 1 438 . 12 1 1 A 43 43 ASP C C 185 173.959 174.731 -0.772 1 1 439 . 12 1 1 A 43 43 ASP CA C 185 55.638 55.629 0.009 1 1 440 . 12 1 1 A 43 43 ASP CB C 185 39.100 40.352 -1.252 1 1 441 . 12 1 1 A 43 43 ASP N N 185 118.710 122.357 -3.647 1 1 442 . 12 1 1 A 44 44 SER H H 186 7.336 7.612 -0.276 1 1 443 . 12 1 1 A 44 44 SER HA H 186 4.953 4.916 0.037 1 1 445 . 12 1 1 A 44 44 SER CA C 186 56.329 55.978 0.351 1 1 446 . 12 1 1 A 44 44 SER CB C 186 65.440 63.806 1.634 1 1 447 . 12 1 1 A 44 44 SER N N 186 111.769 114.499 -2.730 1 1 448 . 12 1 1 A 45 45 PRO HA H 187 4.522 4.135 0.387 1 1 455 . 12 1 1 A 45 45 PRO C C 187 179.929 178.106 1.823 1 1 456 . 12 1 1 A 45 45 PRO CA C 187 65.133 65.564 -0.431 1 1 457 . 12 1 1 A 45 45 PRO CB C 187 32.682 31.699 0.983 1 1 459 . 12 1 1 A 46 46 ALA H H 188 8.492 7.887 0.605 1 1 460 . 12 1 1 A 46 46 ALA HA H 188 4.378 3.903 0.475 1 1 464 . 12 1 1 A 46 46 ALA C C 188 175.528 179.992 -4.464 1 1 465 . 12 1 1 A 46 46 ALA CA C 188 54.584 55.316 -0.732 1 1 466 . 12 1 1 A 46 46 ALA CB C 188 19.714 18.114 1.600 1 1 467 . 12 1 1 A 46 46 ALA N N 188 118.684 118.638 0.046 1 1 468 . 12 1 1 A 47 47 GLU H H 189 8.266 8.093 0.173 1 1 469 . 12 1 1 A 47 47 GLU HA H 189 3.881 3.961 -0.080 1 1 472 . 12 1 1 A 47 47 GLU C C 189 173.891 178.077 -4.186 1 1 473 . 12 1 1 A 47 47 GLU CA C 189 59.881 59.360 0.521 1 1 474 . 12 1 1 A 47 47 GLU CB C 189 29.830 29.576 0.254 1 1 475 . 12 1 1 A 47 47 GLU N N 189 122.834 118.404 4.430 1 1 476 . 12 1 1 A 48 48 ALA H H 190 8.378 8.602 -0.224 1 1 477 . 12 1 1 A 48 48 ALA HA H 190 4.228 4.056 0.172 1 1 481 . 12 1 1 A 48 48 ALA C C 190 178.612 179.882 -1.270 1 1 482 . 12 1 1 A 48 48 ALA CA C 190 54.522 54.954 -0.432 1 1 483 . 12 1 1 A 48 48 ALA CB C 190 17.980 18.477 -0.497 1 1 484 . 12 1 1 A 48 48 ALA N N 190 122.847 122.094 0.753 1 1 485 . 12 1 1 A 49 49 SER H H 191 7.949 7.334 0.615 1 1 486 . 12 1 1 A 49 49 SER HA H 191 4.544 4.480 0.064 1 1 489 . 12 1 1 A 49 49 SER C C 191 174.409 174.519 -0.110 1 1 490 . 12 1 1 A 49 49 SER CA C 191 59.717 58.951 0.766 1 1 491 . 12 1 1 A 49 49 SER CB C 191 64.762 63.630 1.132 1 1 492 . 12 1 1 A 49 49 SER N N 191 112.314 110.681 1.633 1 1 493 . 12 1 1 A 50 50 GLY H H 192 7.604 8.147 -0.543 1 1 494 . 12 1 1 A 50 50 GLY HA2 H 192 4.427 4.055 0.372 1 1 495 . 12 1 1 A 50 50 GLY HA3 H 192 3.714 4.055 -0.341 1 1 496 . 12 1 1 A 50 50 GLY C C 192 173.516 174.514 -0.998 1 1 497 . 12 1 1 A 50 50 GLY CA C 192 44.654 45.053 -0.399 1 1 498 . 12 1 1 A 50 50 GLY N N 192 107.849 108.691 -0.842 1 1 499 . 12 1 1 A 51 51 LEU H H 193 7.268 8.012 -0.744 1 1 500 . 12 1 1 A 51 51 LEU HA H 193 3.969 4.458 -0.489 1 1 510 . 12 1 1 A 51 51 LEU C C 193 174.799 175.720 -0.921 1 1 511 . 12 1 1 A 51 51 LEU CA C 193 55.198 55.097 0.101 1 1 512 . 12 1 1 A 51 51 LEU CB C 193 43.724 42.657 1.067 1 1 515 . 12 1 1 A 51 51 LEU N N 193 124.317 123.313 1.004 1 1 516 . 12 1 1 A 52 52 ARG H H 194 8.891 8.523 0.368 1 1 517 . 12 1 1 A 52 52 ARG HA H 194 4.613 4.982 -0.369 1 1 521 . 12 1 1 A 52 52 ARG C C 194 174.936 175.525 -0.589 1 1 522 . 12 1 1 A 52 52 ARG CA C 194 54.127 53.966 0.161 1 1 523 . 12 1 1 A 52 52 ARG CB C 194 34.156 33.922 0.234 1 1 524 . 12 1 1 A 52 52 ARG N N 194 124.468 125.274 -0.806 1 1 525 . 12 1 1 A 53 53 ALA H H 195 8.677 8.549 0.128 1 1 526 . 12 1 1 A 53 53 ALA HA H 195 3.682 4.075 -0.393 1 1 530 . 12 1 1 A 53 53 ALA C C 195 178.524 178.213 0.311 1 1 531 . 12 1 1 A 53 53 ALA CA C 195 53.523 52.752 0.771 1 1 532 . 12 1 1 A 53 53 ALA CB C 195 17.963 19.228 -1.265 1 1 533 . 12 1 1 A 53 53 ALA N N 195 122.213 127.511 -5.298 1 1 534 . 12 1 1 A 54 54 GLN H H 196 9.490 8.581 0.909 1 1 535 . 12 1 1 A 54 54 GLN HA H 196 4.032 4.008 0.024 1 1 541 . 12 1 1 A 54 54 GLN C C 196 174.503 174.499 0.004 1 1 542 . 12 1 1 A 54 54 GLN CA C 196 58.036 57.778 0.258 1 1 543 . 12 1 1 A 54 54 GLN CB C 196 26.208 27.064 -0.856 1 1 544 . 12 1 1 A 54 54 GLN N N 196 115.882 115.824 0.058 1 1 546 . 12 1 1 A 55 55 ASP H H 197 7.798 7.767 0.031 1 1 547 . 12 1 1 A 55 55 ASP HA H 197 4.757 5.095 -0.338 1 1 550 . 12 1 1 A 55 55 ASP C C 197 174.629 175.865 -1.236 1 1 551 . 12 1 1 A 55 55 ASP CA C 197 55.315 53.860 1.455 1 1 552 . 12 1 1 A 55 55 ASP CB C 197 41.416 42.078 -0.662 1 1 553 . 12 1 1 A 55 55 ASP N N 197 121.039 119.423 1.616 1 1 554 . 12 1 1 A 56 56 ARG H H 198 8.938 8.728 0.210 1 1 555 . 12 1 1 A 56 56 ARG HA H 198 4.430 4.847 -0.417 1 1 557 . 12 1 1 A 56 56 ARG C C 198 174.400 175.572 -1.172 1 1 558 . 12 1 1 A 56 56 ARG CA C 198 54.273 56.013 -1.740 1 1 559 . 12 1 1 A 56 56 ARG CB C 198 32.499 30.828 1.671 1 1 560 . 12 1 1 A 56 56 ARG N N 198 122.032 121.989 0.043 1 1 561 . 12 1 1 A 57 57 ILE H H 199 8.179 9.311 -1.132 1 1 562 . 12 1 1 A 57 57 ILE HA H 199 3.746 4.201 -0.455 1 1 572 . 12 1 1 A 57 57 ILE C C 199 174.272 175.853 -1.581 1 1 573 . 12 1 1 A 57 57 ILE CA C 199 62.349 62.343 0.006 1 1 574 . 12 1 1 A 57 57 ILE CB C 199 38.071 37.686 0.385 1 1 578 . 12 1 1 A 57 57 ILE N N 199 124.246 126.259 -2.013 1 1 579 . 12 1 1 A 58 58 VAL H H 200 9.389 9.743 -0.354 1 1 580 . 12 1 1 A 58 58 VAL HA H 200 4.107 4.157 -0.050 1 1 588 . 12 1 1 A 58 58 VAL C C 200 176.755 176.212 0.543 1 1 589 . 12 1 1 A 58 58 VAL CA C 200 63.067 63.685 -0.618 1 1 590 . 12 1 1 A 58 58 VAL CB C 200 32.894 32.886 0.008 1 1 592 . 12 1 1 A 58 58 VAL N N 200 127.780 128.011 -0.231 1 1 593 . 12 1 1 A 59 59 GLU H H 201 7.850 7.508 0.342 1 1 594 . 12 1 1 A 59 59 GLU HA H 201 5.126 4.833 0.293 1 1 598 . 12 1 1 A 59 59 GLU C C 201 175.123 173.783 1.340 1 1 599 . 12 1 1 A 59 59 GLU CA C 201 54.610 55.140 -0.530 1 1 600 . 12 1 1 A 59 59 GLU CB C 201 34.407 32.715 1.692 1 1 602 . 12 1 1 A 59 59 GLU N N 201 116.847 116.026 0.821 1 1 603 . 12 1 1 A 60 60 VAL H H 202 8.110 8.377 -0.267 1 1 604 . 12 1 1 A 60 60 VAL HA H 202 4.433 4.447 -0.014 1 1 612 . 12 1 1 A 60 60 VAL C C 202 175.772 176.196 -0.424 1 1 613 . 12 1 1 A 60 60 VAL CA C 202 60.952 61.488 -0.536 1 1 614 . 12 1 1 A 60 60 VAL CB C 202 33.802 34.221 -0.419 1 1 616 . 12 1 1 A 60 60 VAL N N 202 118.751 119.299 -0.548 1 1 617 . 12 1 1 A 61 61 ASN H H 203 9.900 9.853 0.047 1 1 618 . 12 1 1 A 61 61 ASN HA H 203 4.312 4.412 -0.100 1 1 621 . 12 1 1 A 61 61 ASN C C 203 174.718 174.488 0.230 1 1 622 . 12 1 1 A 61 61 ASN CA C 203 54.260 54.133 0.127 1 1 623 . 12 1 1 A 61 61 ASN CB C 203 36.965 37.464 -0.499 1 1 624 . 12 1 1 A 61 61 ASN N N 203 128.765 125.761 3.004 1 1 625 . 12 1 1 A 62 62 GLY H H 204 9.192 7.878 1.314 1 1 626 . 12 1 1 A 62 62 GLY HA2 H 204 3.979 3.906 0.073 1 1 627 . 12 1 1 A 62 62 GLY HA3 H 204 3.734 3.906 -0.172 1 1 628 . 12 1 1 A 62 62 GLY C C 204 173.240 174.439 -1.199 1 1 629 . 12 1 1 A 62 62 GLY CA C 204 44.996 45.052 -0.056 1 1 630 . 12 1 1 A 62 62 GLY N N 204 103.295 104.722 -1.427 1 1 631 . 12 1 1 A 63 63 VAL H H 205 7.792 7.445 0.347 1 1 632 . 12 1 1 A 63 63 VAL HA H 205 4.085 4.208 -0.123 1 1 637 . 12 1 1 A 63 63 VAL C C 205 174.605 174.647 -0.042 1 1 638 . 12 1 1 A 63 63 VAL CA C 205 61.373 61.246 0.127 1 1 639 . 12 1 1 A 63 63 VAL CB C 205 32.623 31.478 1.145 1 1 642 . 12 1 1 A 63 63 VAL N N 205 122.193 119.534 2.659 1 1 643 . 12 1 1 A 64 64 CYS H H 206 8.878 8.976 -0.098 1 1 644 . 12 1 1 A 64 64 CYS HA H 206 4.265 4.722 -0.457 1 1 647 . 12 1 1 A 64 64 CYS C C 206 176.086 173.968 2.118 1 1 648 . 12 1 1 A 64 64 CYS CA C 206 61.148 58.397 2.751 1 1 649 . 12 1 1 A 64 64 CYS CB C 206 27.938 28.079 -0.141 1 1 650 . 12 1 1 A 64 64 CYS N N 206 128.575 127.934 0.641 1 1 651 . 12 1 1 A 65 65 MET H H 207 8.413 8.572 -0.159 1 1 652 . 12 1 1 A 65 65 MET HA H 207 4.877 5.158 -0.281 1 1 654 . 12 1 1 A 65 65 MET CA C 207 52.697 54.407 -1.710 1 1 655 . 12 1 1 A 65 65 MET CB C 207 33.908 35.024 -1.116 1 1 656 . 12 1 1 A 65 65 MET N N 207 125.926 127.202 -1.276 1 1 657 . 12 1 1 A 66 66 GLU H H 208 8.768 8.826 -0.058 1 1 658 . 12 1 1 A 66 66 GLU HA H 208 4.187 4.302 -0.115 1 1 662 . 12 1 1 A 66 66 GLU C C 208 177.644 176.898 0.746 1 1 663 . 12 1 1 A 66 66 GLU CA C 208 58.586 57.374 1.212 1 1 664 . 12 1 1 A 66 66 GLU CB C 208 28.916 29.884 -0.968 1 1 665 . 12 1 1 A 67 67 GLY H H 209 9.144 8.778 0.366 1 1 666 . 12 1 1 A 67 67 GLY HA2 H 209 4.156 3.953 0.203 1 1 667 . 12 1 1 A 67 67 GLY HA3 H 209 3.746 3.968 -0.222 1 1 668 . 12 1 1 A 67 67 GLY C C 209 173.880 174.705 -0.825 1 1 669 . 12 1 1 A 67 67 GLY CA C 209 45.339 44.885 0.454 1 1 670 . 12 1 1 A 67 67 GLY N N 209 114.503 114.310 0.193 1 1 671 . 12 1 1 A 68 68 LYS H H 210 7.585 7.236 0.349 1 1 672 . 12 1 1 A 68 68 LYS HA H 210 4.550 4.213 0.337 1 1 675 . 12 1 1 A 68 68 LYS C C 210 176.239 175.774 0.465 1 1 676 . 12 1 1 A 68 68 LYS CA C 210 54.802 56.658 -1.856 1 1 677 . 12 1 1 A 68 68 LYS CB C 210 32.493 33.672 -1.179 1 1 679 . 12 1 1 A 68 68 LYS N N 210 119.299 120.696 -1.397 1 1 680 . 12 1 1 A 69 69 GLN H H 211 9.176 8.836 0.340 1 1 681 . 12 1 1 A 69 69 GLN HA H 211 4.534 4.442 0.092 1 1 688 . 12 1 1 A 69 69 GLN C C 211 176.499 177.327 -0.828 1 1 689 . 12 1 1 A 69 69 GLN CA C 211 54.286 55.237 -0.951 1 1 690 . 12 1 1 A 69 69 GLN CB C 211 30.414 29.460 0.954 1 1 692 . 12 1 1 A 69 69 GLN N N 211 119.518 120.644 -1.126 1 1 694 . 12 1 1 A 70 70 HIS H H 212 9.097 9.065 0.032 1 1 695 . 12 1 1 A 70 70 HIS HA H 212 3.866 4.025 -0.159 1 1 698 . 12 1 1 A 70 70 HIS C C 212 176.987 177.051 -0.064 1 1 699 . 12 1 1 A 70 70 HIS CA C 212 61.326 59.530 1.796 1 1 700 . 12 1 1 A 70 70 HIS CB C 212 30.480 30.342 0.138 1 1 701 . 12 1 1 A 70 70 HIS N N 212 122.474 122.997 -0.523 1 1 702 . 12 1 1 A 71 71 GLY H H 213 9.138 8.533 0.605 1 1 703 . 12 1 1 A 71 71 GLY HA2 H 213 3.930 3.546 0.384 1 1 704 . 12 1 1 A 71 71 GLY HA3 H 213 3.693 3.618 0.075 1 1 705 . 12 1 1 A 71 71 GLY C C 213 176.374 176.036 0.338 1 1 706 . 12 1 1 A 71 71 GLY CA C 213 46.837 46.984 -0.147 1 1 707 . 12 1 1 A 71 71 GLY N N 213 103.821 106.354 -2.533 1 1 708 . 12 1 1 A 72 72 ASP H H 214 7.344 7.808 -0.464 1 1 709 . 12 1 1 A 72 72 ASP HA H 214 4.499 4.332 0.167 1 1 712 . 12 1 1 A 72 72 ASP C C 214 178.391 178.854 -0.463 1 1 713 . 12 1 1 A 72 72 ASP CA C 214 56.650 56.627 0.023 1 1 714 . 12 1 1 A 72 72 ASP CB C 214 41.284 40.913 0.371 1 1 715 . 12 1 1 A 72 72 ASP N N 214 120.357 122.370 -2.013 1 1 716 . 12 1 1 A 73 73 VAL H H 215 7.697 8.490 -0.793 1 1 717 . 12 1 1 A 73 73 VAL HA H 215 3.804 3.629 0.175 1 1 725 . 12 1 1 A 73 73 VAL C C 215 177.258 178.605 -1.347 1 1 726 . 12 1 1 A 73 73 VAL CA C 215 65.957 66.378 -0.421 1 1 727 . 12 1 1 A 73 73 VAL CB C 215 31.411 31.569 -0.158 1 1 730 . 12 1 1 A 73 73 VAL N N 215 123.318 120.172 3.146 1 1 731 . 12 1 1 A 74 74 VAL H H 216 8.144 8.825 -0.681 1 1 732 . 12 1 1 A 74 74 VAL HA H 216 3.474 3.515 -0.041 1 1 740 . 12 1 1 A 74 74 VAL C C 216 178.839 178.074 0.765 1 1 741 . 12 1 1 A 74 74 VAL CA C 216 66.866 66.314 0.552 1 1 742 . 12 1 1 A 74 74 VAL CB C 216 31.496 31.425 0.071 1 1 745 . 12 1 1 A 74 74 VAL N N 216 118.785 121.372 -2.587 1 1 746 . 12 1 1 A 75 75 SER H H 217 8.153 8.267 -0.114 1 1 747 . 12 1 1 A 75 75 SER HA H 217 4.131 4.058 0.073 1 1 750 . 12 1 1 A 75 75 SER C C 217 176.246 176.257 -0.011 1 1 751 . 12 1 1 A 75 75 SER CA C 217 62.198 62.080 0.118 1 1 752 . 12 1 1 A 75 75 SER CB C 217 65.986 62.911 3.075 1 1 753 . 12 1 1 A 75 75 SER N N 217 115.428 115.693 -0.265 1 1 754 . 12 1 1 A 76 76 ALA H H 218 7.873 8.006 -0.133 1 1 755 . 12 1 1 A 76 76 ALA HA H 218 4.220 4.077 0.143 1 1 759 . 12 1 1 A 76 76 ALA C C 218 180.251 179.875 0.376 1 1 760 . 12 1 1 A 76 76 ALA CA C 218 54.649 55.271 -0.622 1 1 761 . 12 1 1 A 76 76 ALA CB C 218 17.519 18.346 -0.827 1 1 762 . 12 1 1 A 76 76 ALA N N 218 125.449 122.943 2.506 1 1 763 . 12 1 1 A 77 77 ILE H H 219 8.357 7.666 0.691 1 1 764 . 12 1 1 A 77 77 ILE HA H 219 3.511 3.582 -0.071 1 1 774 . 12 1 1 A 77 77 ILE C C 219 181.394 178.281 3.113 1 1 775 . 12 1 1 A 77 77 ILE CA C 219 65.003 65.207 -0.204 1 1 776 . 12 1 1 A 77 77 ILE CB C 219 38.374 37.376 0.998 1 1 779 . 12 1 1 A 77 77 ILE N N 219 119.293 118.095 1.198 1 1 780 . 12 1 1 A 78 78 ARG H H 220 8.817 7.699 1.118 1 1 781 . 12 1 1 A 78 78 ARG HA H 220 4.162 4.226 -0.064 1 1 786 . 12 1 1 A 78 78 ARG C C 220 178.163 178.042 0.121 1 1 787 . 12 1 1 A 78 78 ARG CA C 220 59.499 59.424 0.075 1 1 788 . 12 1 1 A 78 78 ARG CB C 220 30.018 29.983 0.035 1 1 790 . 12 1 1 A 78 78 ARG N N 220 124.633 122.905 1.728 1 1 791 . 12 1 1 A 79 79 ALA H H 221 8.207 7.973 0.234 1 1 792 . 12 1 1 A 79 79 ALA HA H 221 4.223 4.235 -0.012 1 1 796 . 12 1 1 A 79 79 ALA C C 221 178.343 178.535 -0.192 1 1 797 . 12 1 1 A 79 79 ALA CA C 221 54.107 52.754 1.353 1 1 798 . 12 1 1 A 79 79 ALA CB C 221 18.055 18.715 -0.660 1 1 799 . 12 1 1 A 79 79 ALA N N 221 120.984 120.490 0.494 1 1 800 . 12 1 1 A 80 80 GLY H H 222 7.239 7.753 -0.514 1 1 801 . 12 1 1 A 80 80 GLY HA2 H 222 4.287 3.976 0.311 1 1 802 . 12 1 1 A 80 80 GLY C C 222 174.203 174.531 -0.328 1 1 803 . 12 1 1 A 80 80 GLY CA C 222 44.921 45.258 -0.337 1 1 804 . 12 1 1 A 80 80 GLY N N 222 102.308 107.516 -5.208 1 1 805 . 12 1 1 A 81 81 GLY H H 223 7.873 8.220 -0.347 1 1 806 . 12 1 1 A 81 81 GLY HA2 H 223 4.229 3.843 0.386 1 1 807 . 12 1 1 A 81 81 GLY HA3 H 223 3.735 3.848 -0.113 1 1 808 . 12 1 1 A 81 81 GLY C C 223 174.031 174.912 -0.881 1 1 809 . 12 1 1 A 81 81 GLY CA C 223 46.465 47.076 -0.611 1 1 810 . 12 1 1 A 81 81 GLY N N 223 107.624 107.457 0.167 1 1 811 . 12 1 1 A 82 82 ASP H H 224 9.157 8.760 0.397 1 1 812 . 12 1 1 A 82 82 ASP HA H 224 4.625 4.618 0.007 1 1 815 . 12 1 1 A 82 82 ASP C C 224 173.254 175.649 -2.395 1 1 816 . 12 1 1 A 82 82 ASP CA C 224 54.408 54.731 -0.323 1 1 817 . 12 1 1 A 82 82 ASP CB C 224 40.829 41.719 -0.890 1 1 818 . 12 1 1 A 82 82 ASP N N 224 128.466 126.428 2.038 1 1 819 . 12 1 1 A 83 83 GLU H H 225 7.479 7.703 -0.224 1 1 820 . 12 1 1 A 83 83 GLU HA H 225 5.454 4.827 0.627 1 1 825 . 12 1 1 A 83 83 GLU C C 225 175.120 175.281 -0.161 1 1 826 . 12 1 1 A 83 83 GLU CA C 225 54.723 55.384 -0.661 1 1 827 . 12 1 1 A 83 83 GLU CB C 225 33.927 31.645 2.282 1 1 829 . 12 1 1 A 83 83 GLU N N 225 118.419 120.148 -1.729 1 1 830 . 12 1 1 A 84 84 THR H H 226 8.759 9.143 -0.384 1 1 831 . 12 1 1 A 84 84 THR HA H 226 4.680 4.774 -0.094 1 1 836 . 12 1 1 A 84 84 THR C C 226 170.497 173.711 -3.214 1 1 837 . 12 1 1 A 84 84 THR CA C 226 62.538 61.769 0.769 1 1 838 . 12 1 1 A 84 84 THR CB C 226 70.389 69.131 1.258 1 1 840 . 12 1 1 A 84 84 THR N N 226 116.177 122.142 -5.965 1 1 841 . 12 1 1 A 85 85 LYS H H 227 7.829 8.852 -1.023 1 1 842 . 12 1 1 A 85 85 LYS HA H 227 5.085 4.691 0.394 1 1 847 . 12 1 1 A 85 85 LYS C C 227 174.884 175.203 -0.319 1 1 848 . 12 1 1 A 85 85 LYS CA C 227 54.338 56.085 -1.747 1 1 849 . 12 1 1 A 85 85 LYS CB C 227 34.154 32.395 1.759 1 1 853 . 12 1 1 A 85 85 LYS N N 227 125.540 126.987 -1.447 1 1 854 . 12 1 1 A 86 86 LEU H H 228 8.977 9.242 -0.265 1 1 855 . 12 1 1 A 86 86 LEU HA H 228 5.049 5.114 -0.065 1 1 864 . 12 1 1 A 86 86 LEU C C 228 174.337 175.397 -1.060 1 1 865 . 12 1 1 A 86 86 LEU CA C 228 52.201 53.616 -1.415 1 1 866 . 12 1 1 A 86 86 LEU CB C 228 44.238 43.930 0.308 1 1 867 . 12 1 1 A 86 86 LEU N N 228 125.294 126.701 -1.407 1 1 868 . 12 1 1 A 87 87 LEU H H 229 8.619 8.626 -0.007 1 1 869 . 12 1 1 A 87 87 LEU HA H 229 5.244 5.367 -0.123 1 1 875 . 12 1 1 A 87 87 LEU C C 229 175.951 175.695 0.256 1 1 876 . 12 1 1 A 87 87 LEU CA C 229 53.857 53.611 0.246 1 1 877 . 12 1 1 A 87 87 LEU CB C 229 43.711 44.305 -0.594 1 1 878 . 12 1 1 A 87 87 LEU N N 229 128.223 127.660 0.563 1 1 879 . 12 1 1 A 88 88 VAL H H 230 9.291 8.780 0.511 1 1 880 . 12 1 1 A 88 88 VAL HA H 230 5.627 5.524 0.103 1 1 888 . 12 1 1 A 88 88 VAL C C 230 174.077 174.548 -0.471 1 1 889 . 12 1 1 A 88 88 VAL CA C 230 58.217 59.661 -1.444 1 1 890 . 12 1 1 A 88 88 VAL CB C 230 36.697 35.760 0.937 1 1 893 . 12 1 1 A 88 88 VAL N N 230 120.780 121.618 -0.838 1 1 894 . 12 1 1 A 89 89 VAL H H 231 8.241 8.622 -0.381 1 1 895 . 12 1 1 A 89 89 VAL HA H 231 4.814 4.678 0.136 1 1 903 . 12 1 1 A 89 89 VAL C C 231 174.661 175.123 -0.462 1 1 904 . 12 1 1 A 89 89 VAL CA C 231 58.524 60.747 -2.223 1 1 905 . 12 1 1 A 89 89 VAL CB C 231 35.588 34.959 0.629 1 1 908 . 12 1 1 A 89 89 VAL N N 231 110.935 121.307 -10.372 1 1 909 . 12 1 1 A 90 90 ASP H H 232 7.841 8.598 -0.757 1 1 910 . 12 1 1 A 90 90 ASP HA H 232 4.883 4.667 0.216 1 1 913 . 12 1 1 A 90 90 ASP C C 232 175.406 176.693 -1.287 1 1 914 . 12 1 1 A 90 90 ASP CA C 232 52.420 54.050 -1.630 1 1 915 . 12 1 1 A 90 90 ASP CB C 232 41.621 41.012 0.609 1 1 916 . 12 1 1 A 90 90 ASP N N 232 122.442 126.504 -4.062 1 1 917 . 12 1 1 A 91 91 ARG H H 233 8.780 8.972 -0.192 1 1 918 . 12 1 1 A 91 91 ARG HA H 233 4.228 4.430 -0.202 1 1 921 . 12 1 1 A 91 91 ARG C C 233 177.865 178.591 -0.726 1 1 922 . 12 1 1 A 91 91 ARG CA C 233 58.821 58.012 0.809 1 1 923 . 12 1 1 A 91 91 ARG CB C 233 29.977 30.398 -0.421 1 1 925 . 12 1 1 A 91 91 ARG N N 233 120.292 127.134 -6.842 1 1 926 . 12 1 1 A 92 92 GLU H H 234 8.663 7.775 0.888 1 1 927 . 12 1 1 A 92 92 GLU HA H 234 4.071 4.090 -0.019 1 1 932 . 12 1 1 A 92 92 GLU C C 234 178.395 179.167 -0.772 1 1 933 . 12 1 1 A 92 92 GLU CA C 234 59.115 58.867 0.248 1 1 934 . 12 1 1 A 92 92 GLU CB C 234 29.131 29.458 -0.327 1 1 936 . 12 1 1 A 92 92 GLU N N 234 119.448 119.475 -0.027 1 1 937 . 12 1 1 A 93 93 THR H H 235 8.255 8.401 -0.146 1 1 938 . 12 1 1 A 93 93 THR HA H 235 3.975 4.172 -0.197 1 1 943 . 12 1 1 A 93 93 THR C C 235 175.146 175.774 -0.628 1 1 944 . 12 1 1 A 93 93 THR CA C 235 65.516 66.571 -1.055 1 1 945 . 12 1 1 A 93 93 THR CB C 235 68.363 68.258 0.105 1 1 947 . 12 1 1 A 93 93 THR N N 235 117.260 117.890 -0.630 1 1 948 . 12 1 1 A 94 94 ASP H H 236 8.302 8.330 -0.028 1 1 949 . 12 1 1 A 94 94 ASP HA H 236 4.557 4.466 0.091 1 1 952 . 12 1 1 A 94 94 ASP C C 236 177.739 177.551 0.188 1 1 953 . 12 1 1 A 94 94 ASP CA C 236 55.460 57.393 -1.933 1 1 954 . 12 1 1 A 94 94 ASP CB C 236 41.093 41.160 -0.067 1 1 955 . 12 1 1 A 94 94 ASP N N 236 122.075 121.378 0.697 1 1 956 . 12 1 1 A 95 95 GLU H H 237 8.084 7.915 0.169 1 1 957 . 12 1 1 A 95 95 GLU HA H 237 4.032 4.544 -0.512 1 1 961 . 12 1 1 A 95 95 GLU C C 237 176.899 178.252 -1.353 1 1 962 . 12 1 1 A 95 95 GLU CA C 237 57.612 58.785 -1.173 1 1 963 . 12 1 1 A 95 95 GLU CB C 237 29.393 30.983 -1.590 1 1 965 . 12 1 1 A 95 95 GLU N N 237 117.733 117.348 0.385 1 1 966 . 12 1 1 A 96 96 PHE H H 238 7.927 8.774 -0.847 1 1 967 . 12 1 1 A 96 96 PHE HA H 238 4.363 4.275 0.088 1 1 974 . 12 1 1 A 96 96 PHE C C 238 175.655 177.226 -1.571 1 1 975 . 12 1 1 A 96 96 PHE CA C 238 59.139 61.748 -2.609 1 1 976 . 12 1 1 A 96 96 PHE CB C 238 39.723 39.764 -0.041 1 1 977 . 12 1 1 A 96 96 PHE N N 238 119.312 121.658 -2.346 1 1 978 . 12 1 1 A 97 97 PHE H H 239 7.896 8.455 -0.559 1 1 979 . 12 1 1 A 97 97 PHE HA H 239 4.506 3.910 0.596 1 1 986 . 12 1 1 A 97 97 PHE C C 239 174.173 177.457 -3.284 1 1 987 . 12 1 1 A 97 97 PHE CA C 239 58.034 61.661 -3.627 1 1 988 . 12 1 1 A 97 97 PHE CB C 239 39.447 39.068 0.379 1 1 989 . 12 1 1 A 97 97 PHE N N 239 119.260 119.927 -0.667 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 86 1.281 1 2 1 1 1 "RMS(OBS, PRED)" CA 96 1.341 1 3 1 1 1 "RMS(OBS, PRED)" CB 86 1.373 1 4 1 1 1 "RMS(OBS, PRED)" H 87 0.559 1 5 1 1 1 "RMS(OBS, PRED)" HA 105 0.294 1 6 1 1 1 "RMS(OBS, PRED)" N 85 3.008 1 7 1 2 1 "RMS(OBS, PRED)" C 86 1.309 1 8 1 2 1 "RMS(OBS, PRED)" CA 96 1.443 1 9 1 2 1 "RMS(OBS, PRED)" CB 86 1.318 1 10 1 2 1 "RMS(OBS, PRED)" H 87 0.527 1 11 1 2 1 "RMS(OBS, PRED)" HA 105 0.335 1 12 1 2 1 "RMS(OBS, PRED)" N 85 2.932 1 13 1 3 1 "RMS(OBS, PRED)" C 86 1.290 1 14 1 3 1 "RMS(OBS, PRED)" CA 96 1.417 1 15 1 3 1 "RMS(OBS, PRED)" CB 86 1.315 1 16 1 3 1 "RMS(OBS, PRED)" H 87 0.507 1 17 1 3 1 "RMS(OBS, PRED)" HA 105 0.304 1 18 1 3 1 "RMS(OBS, PRED)" N 85 3.020 1 19 1 4 1 "RMS(OBS, PRED)" C 86 1.329 1 20 1 4 1 "RMS(OBS, PRED)" CA 96 1.347 1 21 1 4 1 "RMS(OBS, PRED)" CB 86 1.428 1 22 1 4 1 "RMS(OBS, PRED)" H 87 0.538 1 23 1 4 1 "RMS(OBS, PRED)" HA 105 0.289 1 24 1 4 1 "RMS(OBS, PRED)" N 85 3.001 1 25 1 5 1 "RMS(OBS, PRED)" C 86 1.312 1 26 1 5 1 "RMS(OBS, PRED)" CA 96 1.403 1 27 1 5 1 "RMS(OBS, PRED)" CB 86 1.236 1 28 1 5 1 "RMS(OBS, PRED)" H 87 0.500 1 29 1 5 1 "RMS(OBS, PRED)" HA 105 0.294 1 30 1 5 1 "RMS(OBS, PRED)" N 85 2.979 1 31 1 6 1 "RMS(OBS, PRED)" C 86 1.266 1 32 1 6 1 "RMS(OBS, PRED)" CA 96 1.439 1 33 1 6 1 "RMS(OBS, PRED)" CB 86 1.307 1 34 1 6 1 "RMS(OBS, PRED)" H 87 0.527 1 35 1 6 1 "RMS(OBS, PRED)" HA 105 0.305 1 36 1 6 1 "RMS(OBS, PRED)" N 85 2.939 1 37 1 7 1 "RMS(OBS, PRED)" C 86 1.296 1 38 1 7 1 "RMS(OBS, PRED)" CA 96 1.439 1 39 1 7 1 "RMS(OBS, PRED)" CB 86 1.366 1 40 1 7 1 "RMS(OBS, PRED)" H 87 0.503 1 41 1 7 1 "RMS(OBS, PRED)" HA 105 0.305 1 42 1 7 1 "RMS(OBS, PRED)" N 85 2.946 1 43 1 8 1 "RMS(OBS, PRED)" C 86 1.304 1 44 1 8 1 "RMS(OBS, PRED)" CA 96 1.352 1 45 1 8 1 "RMS(OBS, PRED)" CB 86 1.393 1 46 1 8 1 "RMS(OBS, PRED)" H 87 0.518 1 47 1 8 1 "RMS(OBS, PRED)" HA 105 0.329 1 48 1 8 1 "RMS(OBS, PRED)" N 85 2.996 1 49 1 9 1 "RMS(OBS, PRED)" C 86 1.307 1 50 1 9 1 "RMS(OBS, PRED)" CA 96 1.416 1 51 1 9 1 "RMS(OBS, PRED)" CB 86 1.332 1 52 1 9 1 "RMS(OBS, PRED)" H 87 0.518 1 53 1 9 1 "RMS(OBS, PRED)" HA 105 0.308 1 54 1 9 1 "RMS(OBS, PRED)" N 85 2.941 1 55 1 10 1 "RMS(OBS, PRED)" C 86 1.328 1 56 1 10 1 "RMS(OBS, PRED)" CA 96 1.311 1 57 1 10 1 "RMS(OBS, PRED)" CB 86 1.481 1 58 1 10 1 "RMS(OBS, PRED)" H 87 0.536 1 59 1 10 1 "RMS(OBS, PRED)" HA 105 0.330 1 60 1 10 1 "RMS(OBS, PRED)" N 85 2.958 1 61 1 11 1 "RMS(OBS, PRED)" C 86 1.357 1 62 1 11 1 "RMS(OBS, PRED)" CA 96 1.386 1 63 1 11 1 "RMS(OBS, PRED)" CB 86 1.467 1 64 1 11 1 "RMS(OBS, PRED)" H 87 0.541 1 65 1 11 1 "RMS(OBS, PRED)" HA 105 0.338 1 66 1 11 1 "RMS(OBS, PRED)" N 85 3.029 1 67 1 12 1 "RMS(OBS, PRED)" C 86 1.279 1 68 1 12 1 "RMS(OBS, PRED)" CA 96 1.399 1 69 1 12 1 "RMS(OBS, PRED)" CB 86 1.319 1 70 1 12 1 "RMS(OBS, PRED)" H 87 0.557 1 71 1 12 1 "RMS(OBS, PRED)" HA 105 0.306 1 72 1 12 1 "RMS(OBS, PRED)" N 85 2.987 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 2 2 ILE HA H 144 4.171 4.750 -0.579 2 1 11 . 1 1 A 2 2 ILE C C 144 175.446 173.893 1.553 2 1 12 . 1 1 A 2 2 ILE CA C 144 60.547 59.741 0.806 2 1 13 . 1 1 A 2 2 ILE CB C 144 38.500 40.801 -2.301 2 1 17 . 1 1 A 3 3 ASP H H 145 8.584 8.551 0.033 2 1 18 . 1 1 A 3 3 ASP HA H 145 4.879 4.769 0.110 2 1 21 . 1 1 A 3 3 ASP CA C 145 51.583 51.901 -0.318 2 1 22 . 1 1 A 3 3 ASP CB C 145 41.044 42.081 -1.037 2 1 23 . 1 1 A 3 3 ASP N N 145 127.098 128.863 -1.765 2 1 24 . 1 1 A 4 4 PRO HA H 146 4.290 4.371 -0.081 2 1 31 . 1 1 A 4 4 PRO C C 146 176.840 178.252 -1.412 2 1 32 . 1 1 A 4 4 PRO CA C 146 63.386 65.813 -2.427 2 1 33 . 1 1 A 4 4 PRO CB C 146 31.799 31.662 0.137 2 1 36 . 1 1 A 5 5 PHE H H 147 8.323 8.021 0.302 2 1 37 . 1 1 A 5 5 PHE HA H 147 4.550 4.383 0.167 2 1 44 . 1 1 A 5 5 PHE C C 147 176.081 175.333 0.748 2 1 45 . 1 1 A 5 5 PHE CA C 147 58.224 60.643 -2.419 2 1 46 . 1 1 A 5 5 PHE CB C 147 38.571 40.652 -2.081 2 1 47 . 1 1 A 5 5 PHE N N 147 118.510 118.066 0.444 2 1 48 . 1 1 A 6 6 THR H H 148 7.769 7.887 -0.118 2 1 49 . 1 1 A 6 6 THR HA H 148 4.195 4.617 -0.422 2 1 54 . 1 1 A 6 6 THR C C 148 173.870 173.376 0.494 2 1 55 . 1 1 A 6 6 THR CA C 148 62.114 60.929 1.185 2 1 56 . 1 1 A 6 6 THR CB C 148 69.325 70.678 -1.353 2 1 58 . 1 1 A 6 6 THR N N 148 114.321 107.514 6.807 2 1 59 . 1 1 A 7 7 MET H H 149 8.101 8.807 -0.706 2 1 60 . 1 1 A 7 7 MET HA H 149 4.438 4.692 -0.254 2 1 65 . 1 1 A 7 7 MET C C 149 175.544 176.500 -0.956 2 1 66 . 1 1 A 7 7 MET CA C 149 55.218 56.208 -0.990 2 1 67 . 1 1 A 7 7 MET CB C 149 32.224 34.681 -2.457 2 1 69 . 1 1 A 7 7 MET N N 149 121.779 120.554 1.225 2 1 70 . 1 1 A 8 8 LEU H H 150 8.110 8.025 0.085 2 1 71 . 1 1 A 8 8 LEU HA H 150 4.467 4.415 0.052 2 1 81 . 1 1 A 8 8 LEU C C 150 175.439 176.193 -0.754 2 1 82 . 1 1 A 8 8 LEU CA C 150 54.333 55.276 -0.944 2 1 83 . 1 1 A 8 8 LEU CB C 150 40.631 43.288 -2.657 2 1 86 . 1 1 A 8 8 LEU N N 150 123.383 119.362 4.021 2 1 87 . 1 1 A 9 9 ARG H H 151 7.900 7.409 0.491 2 1 88 . 1 1 A 9 9 ARG HA H 151 4.769 4.386 0.383 2 1 93 . 1 1 A 9 9 ARG CA C 151 52.792 55.431 -2.639 2 1 94 . 1 1 A 9 9 ARG CB C 151 30.717 30.304 0.413 2 1 96 . 1 1 A 9 9 ARG N N 151 119.907 118.081 1.826 2 1 97 . 1 1 A 10 10 PRO HA H 152 4.546 4.628 -0.082 2 1 104 . 1 1 A 10 10 PRO C C 152 175.520 175.815 -0.295 2 1 105 . 1 1 A 10 10 PRO CA C 152 62.580 62.673 -0.093 2 1 106 . 1 1 A 10 10 PRO CB C 152 31.507 32.574 -1.067 2 1 109 . 1 1 A 11 11 ARG H H 153 8.987 8.943 0.044 2 1 110 . 1 1 A 11 11 ARG HA H 153 4.462 4.823 -0.361 2 1 113 . 1 1 A 11 11 ARG C C 153 173.260 174.451 -1.191 2 1 114 . 1 1 A 11 11 ARG CA C 153 54.652 54.612 0.040 2 1 115 . 1 1 A 11 11 ARG CB C 153 32.449 33.705 -1.256 2 1 116 . 1 1 A 11 11 ARG N N 153 122.642 120.994 1.648 2 1 117 . 1 1 A 12 12 LEU H H 154 8.675 8.680 -0.005 2 1 118 . 1 1 A 12 12 LEU HA H 154 4.926 4.890 0.036 2 1 127 . 1 1 A 12 12 LEU C C 154 176.282 175.048 1.234 2 1 128 . 1 1 A 12 12 LEU CA C 154 53.222 54.082 -0.860 2 1 129 . 1 1 A 12 12 LEU CB C 154 42.382 44.085 -1.703 2 1 132 . 1 1 A 12 12 LEU N N 154 125.776 124.305 1.471 2 1 133 . 1 1 A 13 13 CYS H H 155 9.509 9.454 0.055 2 1 134 . 1 1 A 13 13 CYS HA H 155 4.762 5.321 -0.559 2 1 137 . 1 1 A 13 13 CYS C C 155 173.211 173.318 -0.107 2 1 138 . 1 1 A 13 13 CYS CA C 155 57.646 57.157 0.489 2 1 139 . 1 1 A 13 13 CYS CB C 155 28.495 30.825 -2.330 2 1 140 . 1 1 A 13 13 CYS N N 155 130.053 126.114 3.939 2 1 141 . 1 1 A 14 14 THR H H 156 8.979 9.376 -0.397 2 1 142 . 1 1 A 14 14 THR HA H 156 4.927 5.043 -0.116 2 1 147 . 1 1 A 14 14 THR C C 156 172.990 173.700 -0.710 2 1 148 . 1 1 A 14 14 THR CA C 156 61.216 61.685 -0.469 2 1 149 . 1 1 A 14 14 THR CB C 156 69.306 70.891 -1.585 2 1 151 . 1 1 A 14 14 THR N N 156 122.811 121.155 1.656 2 1 152 . 1 1 A 15 15 MET H H 157 8.889 8.902 -0.013 2 1 153 . 1 1 A 15 15 MET HA H 157 5.006 5.449 -0.443 2 1 157 . 1 1 A 15 15 MET C C 157 176.000 175.071 0.929 2 1 158 . 1 1 A 15 15 MET CA C 157 54.167 53.250 0.917 2 1 159 . 1 1 A 15 15 MET CB C 157 39.030 34.966 4.064 2 1 160 . 1 1 A 15 15 MET N N 157 121.855 124.260 -2.405 2 1 161 . 1 1 A 16 16 LYS H H 158 8.614 8.827 -0.213 2 1 162 . 1 1 A 16 16 LYS HA H 158 5.262 4.829 0.433 2 1 167 . 1 1 A 16 16 LYS C C 158 175.677 176.958 -1.281 2 1 168 . 1 1 A 16 16 LYS CA C 158 54.283 55.254 -0.971 2 1 169 . 1 1 A 16 16 LYS CB C 158 34.677 33.547 1.130 2 1 172 . 1 1 A 16 16 LYS N N 158 122.373 122.251 0.122 2 1 173 . 1 1 A 17 17 LYS H H 159 8.519 9.449 -0.930 2 1 174 . 1 1 A 17 17 LYS HA H 159 3.208 3.813 -0.605 2 1 179 . 1 1 A 17 17 LYS C C 159 176.799 176.334 0.465 2 1 180 . 1 1 A 17 17 LYS CA C 159 58.532 59.371 -0.839 2 1 181 . 1 1 A 17 17 LYS CB C 159 33.471 32.264 1.207 2 1 184 . 1 1 A 17 17 LYS N N 159 123.623 127.295 -3.672 2 1 185 . 1 1 A 18 18 GLY H H 160 7.222 7.773 -0.551 2 1 186 . 1 1 A 18 18 GLY HA2 H 160 4.578 3.968 0.610 2 1 187 . 1 1 A 18 18 GLY HA3 H 160 3.950 3.973 -0.023 2 1 188 . 1 1 A 18 18 GLY CA C 160 44.160 44.989 -0.829 2 1 189 . 1 1 A 18 18 GLY N N 160 111.304 107.167 4.137 2 1 190 . 1 1 A 19 19 PRO HA H 161 4.307 4.497 -0.190 2 1 197 . 1 1 A 19 19 PRO C C 161 177.523 176.934 0.589 2 1 198 . 1 1 A 19 19 PRO CA C 161 64.766 63.991 0.775 2 1 199 . 1 1 A 19 19 PRO CB C 161 31.509 32.431 -0.922 2 1 202 . 1 1 A 20 20 SER H H 162 8.462 7.395 1.067 2 1 203 . 1 1 A 20 20 SER HA H 162 4.708 4.466 0.242 2 1 206 . 1 1 A 20 20 SER C C 162 173.887 174.337 -0.450 2 1 207 . 1 1 A 20 20 SER CA C 162 56.541 58.679 -2.138 2 1 208 . 1 1 A 20 20 SER CB C 162 63.086 65.149 -2.063 2 1 209 . 1 1 A 20 20 SER N N 162 111.594 111.803 -0.209 2 1 210 . 1 1 A 21 21 GLY H H 163 7.730 8.011 -0.281 2 1 211 . 1 1 A 21 21 GLY HA2 H 163 4.477 3.650 0.827 2 1 212 . 1 1 A 21 21 GLY HA3 H 163 3.242 3.803 -0.561 2 1 213 . 1 1 A 21 21 GLY CA C 163 43.895 45.397 -1.502 2 1 214 . 1 1 A 21 21 GLY N N 163 108.656 109.281 -0.625 2 1 215 . 1 1 A 22 22 TYR H H 164 7.210 8.363 -1.153 2 1 216 . 1 1 A 22 22 TYR HA H 164 4.366 4.396 -0.031 2 1 223 . 1 1 A 22 22 TYR C C 164 176.198 176.289 -0.091 2 1 224 . 1 1 A 22 22 TYR CA C 164 60.930 59.181 1.749 2 1 225 . 1 1 A 22 22 TYR CB C 164 40.660 39.402 1.258 2 1 226 . 1 1 A 23 23 GLY H H 165 8.600 8.539 0.061 2 1 227 . 1 1 A 23 23 GLY HA2 H 165 4.511 3.899 0.612 2 1 228 . 1 1 A 23 23 GLY HA3 H 165 3.886 3.945 -0.059 2 1 229 . 1 1 A 23 23 GLY C C 165 172.930 173.749 -0.819 2 1 230 . 1 1 A 23 23 GLY CA C 165 45.013 45.877 -0.864 2 1 231 . 1 1 A 23 23 GLY N N 165 103.183 108.067 -4.884 2 1 232 . 1 1 A 24 24 PHE H H 166 6.855 7.673 -0.818 2 1 233 . 1 1 A 24 24 PHE HA H 166 5.629 5.176 0.453 2 1 241 . 1 1 A 24 24 PHE C C 166 172.417 173.386 -0.969 2 1 242 . 1 1 A 24 24 PHE CA C 166 54.693 55.676 -0.983 2 1 243 . 1 1 A 24 24 PHE CB C 166 42.235 41.679 0.556 2 1 244 . 1 1 A 24 24 PHE N N 166 111.547 115.452 -3.905 2 1 245 . 1 1 A 25 25 ASN H H 167 8.121 9.544 -1.423 2 1 246 . 1 1 A 25 25 ASN HA H 167 5.097 5.545 -0.448 2 1 251 . 1 1 A 25 25 ASN C C 167 174.068 174.354 -0.286 2 1 252 . 1 1 A 25 25 ASN CA C 167 51.521 52.245 -0.724 2 1 253 . 1 1 A 25 25 ASN CB C 167 41.155 42.589 -1.434 2 1 254 . 1 1 A 25 25 ASN N N 167 117.619 117.515 0.104 2 1 256 . 1 1 A 26 26 LEU H H 168 9.287 8.785 0.502 2 1 257 . 1 1 A 26 26 LEU HA H 168 5.369 5.223 0.146 2 1 266 . 1 1 A 26 26 LEU C C 168 176.491 175.620 0.871 2 1 267 . 1 1 A 26 26 LEU CA C 168 54.171 53.831 0.340 2 1 268 . 1 1 A 26 26 LEU CB C 168 44.783 45.765 -0.982 2 1 272 . 1 1 A 26 26 LEU N N 168 123.933 120.791 3.142 2 1 273 . 1 1 A 27 27 HIS H H 169 9.466 9.294 0.172 2 1 274 . 1 1 A 27 27 HIS HA H 169 4.922 5.682 -0.760 2 1 276 . 1 1 A 27 27 HIS CA C 169 56.019 53.659 2.360 2 1 277 . 1 1 A 27 27 HIS CB C 169 33.352 33.472 -0.120 2 1 278 . 1 1 A 27 27 HIS N N 169 119.976 119.659 0.317 2 1 279 . 1 1 A 28 28 SER HA H 170 4.703 4.775 -0.072 2 1 282 . 1 1 A 28 28 SER C C 170 172.451 172.969 -0.518 2 1 283 . 1 1 A 28 28 SER CA C 170 57.104 56.258 0.846 2 1 284 . 1 1 A 28 28 SER CB C 170 63.937 65.098 -1.161 2 1 285 . 1 1 A 29 29 ASP H H 171 9.230 8.819 0.411 2 1 286 . 1 1 A 29 29 ASP HA H 171 4.591 4.696 -0.104 2 1 289 . 1 1 A 29 29 ASP CA C 171 53.406 55.383 -1.977 2 1 290 . 1 1 A 29 29 ASP CB C 171 43.831 42.656 1.175 2 1 291 . 1 1 A 29 29 ASP N N 171 123.447 124.208 -0.761 2 1 292 . 1 1 A 30 30 LYS HA H 172 4.148 4.539 -0.391 2 1 298 . 1 1 A 30 30 LYS C C 172 176.768 176.688 0.080 2 1 299 . 1 1 A 30 30 LYS CA C 172 57.755 55.172 2.583 2 1 300 . 1 1 A 30 30 LYS CB C 172 31.872 33.689 -1.817 2 1 301 . 1 1 A 31 31 SER H H 173 8.803 8.684 0.119 2 1 302 . 1 1 A 31 31 SER HA H 173 4.419 4.724 -0.305 2 1 304 . 1 1 A 31 31 SER C C 173 173.570 174.684 -1.114 2 1 305 . 1 1 A 31 31 SER CA C 173 59.354 58.083 1.271 2 1 306 . 1 1 A 31 31 SER CB C 173 64.113 63.810 0.303 2 1 307 . 1 1 A 31 31 SER N N 173 115.001 116.978 -1.977 2 1 308 . 1 1 A 32 32 LYS H H 174 7.893 7.839 0.054 2 1 309 . 1 1 A 32 32 LYS HA H 174 4.804 4.386 0.418 2 1 316 . 1 1 A 32 32 LYS CA C 174 53.258 58.454 -5.196 2 1 317 . 1 1 A 32 32 LYS CB C 174 33.448 33.624 -0.176 2 1 321 . 1 1 A 32 32 LYS N N 174 122.863 120.155 2.708 2 1 322 . 1 1 A 33 33 PRO HA H 175 4.592 4.371 0.221 2 1 329 . 1 1 A 33 33 PRO C C 175 176.188 177.065 -0.877 2 1 330 . 1 1 A 33 33 PRO CA C 175 62.823 65.551 -2.728 2 1 331 . 1 1 A 33 33 PRO CB C 175 32.076 31.595 0.481 2 1 334 . 1 1 A 34 34 GLY H H 176 8.328 7.474 0.854 2 1 335 . 1 1 A 34 34 GLY HA2 H 176 4.179 3.994 0.185 2 1 336 . 1 1 A 34 34 GLY HA3 H 176 3.713 4.069 -0.355 2 1 337 . 1 1 A 34 34 GLY C C 176 172.298 171.577 0.721 2 1 338 . 1 1 A 34 34 GLY CA C 176 43.770 44.712 -0.942 2 1 339 . 1 1 A 34 34 GLY N N 176 108.419 104.569 3.850 2 1 340 . 1 1 A 35 35 GLN H H 177 8.673 8.276 0.397 2 1 341 . 1 1 A 35 35 GLN HA H 177 4.761 4.644 0.117 2 1 347 . 1 1 A 35 35 GLN C C 177 173.569 174.439 -0.870 2 1 348 . 1 1 A 35 35 GLN CA C 177 53.731 54.631 -0.900 2 1 349 . 1 1 A 35 35 GLN CB C 177 29.555 30.971 -1.416 2 1 351 . 1 1 A 35 35 GLN N N 177 117.933 120.907 -2.974 2 1 353 . 1 1 A 36 36 PHE H H 178 8.799 8.443 0.356 2 1 354 . 1 1 A 36 36 PHE HA H 178 5.447 4.942 0.505 2 1 361 . 1 1 A 36 36 PHE C C 178 175.427 175.396 0.031 2 1 362 . 1 1 A 36 36 PHE CA C 178 55.349 56.798 -1.449 2 1 363 . 1 1 A 36 36 PHE CB C 178 42.486 42.870 -0.383 2 1 364 . 1 1 A 36 36 PHE N N 178 120.404 124.008 -3.604 2 1 365 . 1 1 A 37 37 ILE H H 179 9.203 8.721 0.482 2 1 366 . 1 1 A 37 37 ILE HA H 179 4.322 4.367 -0.044 2 1 376 . 1 1 A 37 37 ILE C C 179 176.207 177.010 -0.803 2 1 377 . 1 1 A 37 37 ILE CA C 179 58.611 61.388 -2.777 2 1 378 . 1 1 A 37 37 ILE CB C 179 34.911 38.291 -3.380 2 1 380 . 1 1 A 37 37 ILE N N 179 120.720 123.898 -3.178 2 1 381 . 1 1 A 38 38 ARG H H 180 9.453 9.033 0.420 2 1 382 . 1 1 A 38 38 ARG HA H 180 3.951 4.347 -0.396 2 1 389 . 1 1 A 38 38 ARG C C 180 175.332 176.178 -0.846 2 1 390 . 1 1 A 38 38 ARG CA C 180 58.035 56.643 1.392 2 1 391 . 1 1 A 38 38 ARG CB C 180 30.593 31.491 -0.898 2 1 393 . 1 1 A 38 38 ARG N N 180 132.453 124.334 8.119 2 1 394 . 1 1 A 39 39 SER H H 181 7.529 7.699 -0.169 2 1 395 . 1 1 A 39 39 SER HA H 181 4.553 4.769 -0.216 2 1 397 . 1 1 A 39 39 SER C C 181 170.792 172.206 -1.414 2 1 398 . 1 1 A 39 39 SER CA C 181 56.629 57.422 -0.793 2 1 399 . 1 1 A 39 39 SER CB C 181 64.756 65.419 -0.663 2 1 400 . 1 1 A 39 39 SER N N 181 109.145 113.374 -4.230 2 1 401 . 1 1 A 40 40 VAL H H 182 8.595 8.658 -0.063 2 1 402 . 1 1 A 40 40 VAL HA H 182 4.609 4.832 -0.223 2 1 410 . 1 1 A 40 40 VAL C C 182 175.150 174.075 1.075 2 1 411 . 1 1 A 40 40 VAL CA C 182 60.603 60.585 0.018 2 1 412 . 1 1 A 40 40 VAL CB C 182 34.480 35.581 -1.101 2 1 415 . 1 1 A 40 40 VAL N N 182 119.939 123.321 -3.382 2 1 416 . 1 1 A 41 41 ASP H H 183 9.410 9.332 0.078 2 1 417 . 1 1 A 41 41 ASP HA H 183 4.770 4.946 -0.176 2 1 420 . 1 1 A 41 41 ASP CA C 183 52.418 51.200 1.218 2 1 421 . 1 1 A 41 41 ASP CB C 183 39.357 42.139 -2.782 2 1 422 . 1 1 A 41 41 ASP N N 183 129.870 127.716 2.154 2 1 423 . 1 1 A 42 42 PRO HA H 184 4.551 4.346 0.205 2 1 429 . 1 1 A 42 42 PRO C C 184 176.520 177.127 -0.607 2 1 430 . 1 1 A 42 42 PRO CA C 184 62.915 63.790 -0.875 2 1 431 . 1 1 A 42 42 PRO CB C 184 31.844 31.712 0.132 2 1 434 . 1 1 A 43 43 ASP H H 185 9.250 8.944 0.306 2 1 435 . 1 1 A 43 43 ASP HA H 185 4.356 4.317 0.039 2 1 438 . 1 1 A 43 43 ASP C C 185 173.959 174.751 -0.792 2 1 439 . 1 1 A 43 43 ASP CA C 185 55.638 55.619 0.019 2 1 440 . 1 1 A 43 43 ASP CB C 185 39.100 40.390 -1.290 2 1 441 . 1 1 A 43 43 ASP N N 185 118.710 122.476 -3.766 2 1 442 . 1 1 A 44 44 SER H H 186 7.336 7.655 -0.319 2 1 443 . 1 1 A 44 44 SER HA H 186 4.953 4.820 0.133 2 1 445 . 1 1 A 44 44 SER CA C 186 56.329 56.568 -0.239 2 1 446 . 1 1 A 44 44 SER CB C 186 65.440 63.799 1.641 2 1 447 . 1 1 A 44 44 SER N N 186 111.769 114.850 -3.081 2 1 448 . 1 1 A 45 45 PRO HA H 187 4.522 4.192 0.330 2 1 455 . 1 1 A 45 45 PRO C C 187 179.929 178.120 1.809 2 1 456 . 1 1 A 45 45 PRO CA C 187 65.133 65.668 -0.535 2 1 457 . 1 1 A 45 45 PRO CB C 187 32.682 31.742 0.940 2 1 459 . 1 1 A 46 46 ALA H H 188 8.492 8.013 0.479 2 1 460 . 1 1 A 46 46 ALA HA H 188 4.378 4.056 0.322 2 1 464 . 1 1 A 46 46 ALA C C 188 175.528 180.005 -4.477 2 1 465 . 1 1 A 46 46 ALA CA C 188 54.584 55.470 -0.886 2 1 466 . 1 1 A 46 46 ALA CB C 188 19.714 18.271 1.443 2 1 467 . 1 1 A 46 46 ALA N N 188 118.684 118.778 -0.094 2 1 468 . 1 1 A 47 47 GLU H H 189 8.266 8.117 0.149 2 1 469 . 1 1 A 47 47 GLU HA H 189 3.881 3.991 -0.110 2 1 472 . 1 1 A 47 47 GLU C C 189 173.891 178.329 -4.438 2 1 473 . 1 1 A 47 47 GLU CA C 189 59.881 59.380 0.501 2 1 474 . 1 1 A 47 47 GLU CB C 189 29.830 29.619 0.210 2 1 475 . 1 1 A 47 47 GLU N N 189 122.834 118.357 4.477 2 1 476 . 1 1 A 48 48 ALA H H 190 8.378 8.552 -0.174 2 1 477 . 1 1 A 48 48 ALA HA H 190 4.228 4.091 0.137 2 1 481 . 1 1 A 48 48 ALA C C 190 178.612 179.920 -1.308 2 1 482 . 1 1 A 48 48 ALA CA C 190 54.522 54.744 -0.222 2 1 483 . 1 1 A 48 48 ALA CB C 190 17.980 18.461 -0.481 2 1 484 . 1 1 A 48 48 ALA N N 190 122.847 122.128 0.719 2 1 485 . 1 1 A 49 49 SER H H 191 7.949 7.404 0.545 2 1 486 . 1 1 A 49 49 SER HA H 191 4.544 4.504 0.040 2 1 489 . 1 1 A 49 49 SER C C 191 174.409 174.612 -0.203 2 1 490 . 1 1 A 49 49 SER CA C 191 59.717 58.775 0.942 2 1 491 . 1 1 A 49 49 SER CB C 191 64.762 63.670 1.092 2 1 492 . 1 1 A 49 49 SER N N 191 112.314 110.673 1.641 2 1 493 . 1 1 A 50 50 GLY H H 192 7.604 8.140 -0.536 2 1 494 . 1 1 A 50 50 GLY HA2 H 192 4.427 4.051 0.376 2 1 495 . 1 1 A 50 50 GLY HA3 H 192 3.714 4.054 -0.340 2 1 496 . 1 1 A 50 50 GLY C C 192 173.516 174.441 -0.925 2 1 497 . 1 1 A 50 50 GLY CA C 192 44.654 45.123 -0.469 2 1 498 . 1 1 A 50 50 GLY N N 192 107.849 108.919 -1.070 2 1 499 . 1 1 A 51 51 LEU H H 193 7.268 8.076 -0.808 2 1 500 . 1 1 A 51 51 LEU HA H 193 3.969 4.510 -0.541 2 1 510 . 1 1 A 51 51 LEU C C 193 174.799 175.700 -0.901 2 1 511 . 1 1 A 51 51 LEU CA C 193 55.198 54.966 0.232 2 1 512 . 1 1 A 51 51 LEU CB C 193 43.724 43.145 0.579 2 1 515 . 1 1 A 51 51 LEU N N 193 124.317 123.122 1.195 2 1 516 . 1 1 A 52 52 ARG H H 194 8.891 8.746 0.145 2 1 517 . 1 1 A 52 52 ARG HA H 194 4.613 4.994 -0.381 2 1 521 . 1 1 A 52 52 ARG C C 194 174.936 175.537 -0.601 2 1 522 . 1 1 A 52 52 ARG CA C 194 54.127 53.934 0.193 2 1 523 . 1 1 A 52 52 ARG CB C 194 34.156 33.895 0.261 2 1 524 . 1 1 A 52 52 ARG N N 194 124.468 125.176 -0.708 2 1 525 . 1 1 A 53 53 ALA H H 195 8.677 8.568 0.109 2 1 526 . 1 1 A 53 53 ALA HA H 195 3.682 4.048 -0.366 2 1 530 . 1 1 A 53 53 ALA C C 195 178.524 178.192 0.332 2 1 531 . 1 1 A 53 53 ALA CA C 195 53.523 52.736 0.787 2 1 532 . 1 1 A 53 53 ALA CB C 195 17.963 19.306 -1.343 2 1 533 . 1 1 A 53 53 ALA N N 195 122.213 127.190 -4.977 2 1 534 . 1 1 A 54 54 GLN H H 196 9.490 9.063 0.427 2 1 535 . 1 1 A 54 54 GLN HA H 196 4.032 4.156 -0.124 2 1 541 . 1 1 A 54 54 GLN C C 196 174.503 174.588 -0.085 2 1 542 . 1 1 A 54 54 GLN CA C 196 58.036 57.829 0.207 2 1 543 . 1 1 A 54 54 GLN CB C 196 26.208 26.994 -0.786 2 1 544 . 1 1 A 54 54 GLN N N 196 115.882 115.830 0.052 2 1 546 . 1 1 A 55 55 ASP H H 197 7.798 7.729 0.069 2 1 547 . 1 1 A 55 55 ASP HA H 197 4.757 5.066 -0.309 2 1 550 . 1 1 A 55 55 ASP C C 197 174.629 175.741 -1.112 2 1 551 . 1 1 A 55 55 ASP CA C 197 55.315 54.155 1.160 2 1 552 . 1 1 A 55 55 ASP CB C 197 41.416 41.831 -0.415 2 1 553 . 1 1 A 55 55 ASP N N 197 121.039 119.686 1.353 2 1 554 . 1 1 A 56 56 ARG H H 198 8.938 8.672 0.266 2 1 555 . 1 1 A 56 56 ARG HA H 198 4.430 4.667 -0.237 2 1 557 . 1 1 A 56 56 ARG C C 198 174.400 175.511 -1.111 2 1 558 . 1 1 A 56 56 ARG CA C 198 54.273 55.692 -1.419 2 1 559 . 1 1 A 56 56 ARG CB C 198 32.499 30.913 1.587 2 1 560 . 1 1 A 56 56 ARG N N 198 122.032 122.223 -0.191 2 1 561 . 1 1 A 57 57 ILE H H 199 8.179 8.877 -0.698 2 1 562 . 1 1 A 57 57 ILE HA H 199 3.746 4.115 -0.369 2 1 572 . 1 1 A 57 57 ILE C C 199 174.272 175.768 -1.496 2 1 573 . 1 1 A 57 57 ILE CA C 199 62.349 62.134 0.215 2 1 574 . 1 1 A 57 57 ILE CB C 199 38.071 37.491 0.580 2 1 578 . 1 1 A 57 57 ILE N N 199 124.246 126.146 -1.900 2 1 579 . 1 1 A 58 58 VAL H H 200 9.389 9.525 -0.136 2 1 580 . 1 1 A 58 58 VAL HA H 200 4.107 4.109 -0.002 2 1 588 . 1 1 A 58 58 VAL C C 200 176.755 176.239 0.516 2 1 589 . 1 1 A 58 58 VAL CA C 200 63.067 63.755 -0.688 2 1 590 . 1 1 A 58 58 VAL CB C 200 32.894 32.843 0.051 2 1 592 . 1 1 A 58 58 VAL N N 200 127.780 128.033 -0.253 2 1 593 . 1 1 A 59 59 GLU H H 201 7.850 7.505 0.345 2 1 594 . 1 1 A 59 59 GLU HA H 201 5.126 4.976 0.150 2 1 598 . 1 1 A 59 59 GLU C C 201 175.123 173.863 1.259 2 1 599 . 1 1 A 59 59 GLU CA C 201 54.610 54.931 -0.321 2 1 600 . 1 1 A 59 59 GLU CB C 201 34.407 32.735 1.672 2 1 602 . 1 1 A 59 59 GLU N N 201 116.847 115.919 0.928 2 1 603 . 1 1 A 60 60 VAL H H 202 8.110 8.381 -0.271 2 1 604 . 1 1 A 60 60 VAL HA H 202 4.433 4.418 0.015 2 1 612 . 1 1 A 60 60 VAL C C 202 175.772 176.181 -0.409 2 1 613 . 1 1 A 60 60 VAL CA C 202 60.952 61.469 -0.517 2 1 614 . 1 1 A 60 60 VAL CB C 202 33.802 34.204 -0.402 2 1 616 . 1 1 A 60 60 VAL N N 202 118.751 119.375 -0.624 2 1 617 . 1 1 A 61 61 ASN H H 203 9.900 9.981 -0.081 2 1 618 . 1 1 A 61 61 ASN HA H 203 4.312 4.405 -0.093 2 1 621 . 1 1 A 61 61 ASN C C 203 174.718 174.465 0.253 2 1 622 . 1 1 A 61 61 ASN CA C 203 54.260 54.125 0.135 2 1 623 . 1 1 A 61 61 ASN CB C 203 36.965 37.467 -0.501 2 1 624 . 1 1 A 61 61 ASN N N 203 128.765 125.710 3.055 2 1 625 . 1 1 A 62 62 GLY H H 204 9.192 8.139 1.053 2 1 626 . 1 1 A 62 62 GLY HA2 H 204 3.979 3.920 0.059 2 1 627 . 1 1 A 62 62 GLY HA3 H 204 3.734 3.921 -0.187 2 1 628 . 1 1 A 62 62 GLY C C 204 173.240 174.505 -1.265 2 1 629 . 1 1 A 62 62 GLY CA C 204 44.996 45.080 -0.084 2 1 630 . 1 1 A 62 62 GLY N N 204 103.295 104.648 -1.353 2 1 631 . 1 1 A 63 63 VAL H H 205 7.792 7.416 0.376 2 1 632 . 1 1 A 63 63 VAL HA H 205 4.085 4.179 -0.094 2 1 637 . 1 1 A 63 63 VAL C C 205 174.605 174.626 -0.021 2 1 638 . 1 1 A 63 63 VAL CA C 205 61.373 61.336 0.037 2 1 639 . 1 1 A 63 63 VAL CB C 205 32.623 31.384 1.239 2 1 642 . 1 1 A 63 63 VAL N N 205 122.193 119.393 2.800 2 1 643 . 1 1 A 64 64 CYS H H 206 8.878 8.685 0.193 2 1 644 . 1 1 A 64 64 CYS HA H 206 4.265 4.714 -0.449 2 1 647 . 1 1 A 64 64 CYS C C 206 176.086 173.949 2.137 2 1 648 . 1 1 A 64 64 CYS CA C 206 61.148 58.096 3.052 2 1 649 . 1 1 A 64 64 CYS CB C 206 27.938 27.977 -0.039 2 1 650 . 1 1 A 64 64 CYS N N 206 128.575 127.734 0.841 2 1 651 . 1 1 A 65 65 MET H H 207 8.413 8.585 -0.172 2 1 652 . 1 1 A 65 65 MET HA H 207 4.877 5.141 -0.264 2 1 654 . 1 1 A 65 65 MET CA C 207 52.697 54.415 -1.718 2 1 655 . 1 1 A 65 65 MET CB C 207 33.908 34.935 -1.027 2 1 656 . 1 1 A 65 65 MET N N 207 125.926 127.087 -1.161 2 1 657 . 1 1 A 66 66 GLU H H 208 8.768 8.752 0.016 2 1 658 . 1 1 A 66 66 GLU HA H 208 4.187 4.101 0.086 2 1 662 . 1 1 A 66 66 GLU C C 208 177.644 176.978 0.666 2 1 663 . 1 1 A 66 66 GLU CA C 208 58.586 57.904 0.682 2 1 664 . 1 1 A 66 66 GLU CB C 208 28.916 29.593 -0.677 2 1 665 . 1 1 A 67 67 GLY H H 209 9.144 8.857 0.286 2 1 666 . 1 1 A 67 67 GLY HA2 H 209 4.156 3.980 0.176 2 1 667 . 1 1 A 67 67 GLY HA3 H 209 3.746 3.990 -0.244 2 1 668 . 1 1 A 67 67 GLY C C 209 173.880 174.799 -0.919 2 1 669 . 1 1 A 67 67 GLY CA C 209 45.339 45.085 0.254 2 1 670 . 1 1 A 67 67 GLY N N 209 114.503 114.708 -0.205 2 1 671 . 1 1 A 68 68 LYS H H 210 7.585 7.202 0.383 2 1 672 . 1 1 A 68 68 LYS HA H 210 4.550 4.224 0.326 2 1 675 . 1 1 A 68 68 LYS C C 210 176.239 175.832 0.407 2 1 676 . 1 1 A 68 68 LYS CA C 210 54.802 56.653 -1.851 2 1 677 . 1 1 A 68 68 LYS CB C 210 32.493 33.709 -1.216 2 1 679 . 1 1 A 68 68 LYS N N 210 119.299 120.424 -1.125 2 1 680 . 1 1 A 69 69 GLN H H 211 9.176 8.835 0.341 2 1 681 . 1 1 A 69 69 GLN HA H 211 4.534 4.504 0.030 2 1 688 . 1 1 A 69 69 GLN C C 211 176.499 177.352 -0.853 2 1 689 . 1 1 A 69 69 GLN CA C 211 54.286 54.987 -0.701 2 1 690 . 1 1 A 69 69 GLN CB C 211 30.414 29.688 0.726 2 1 692 . 1 1 A 69 69 GLN N N 211 119.518 120.787 -1.270 2 1 694 . 1 1 A 70 70 HIS H H 212 9.097 9.080 0.017 2 1 695 . 1 1 A 70 70 HIS HA H 212 3.866 4.059 -0.193 2 1 698 . 1 1 A 70 70 HIS C C 212 176.987 177.087 -0.100 2 1 699 . 1 1 A 70 70 HIS CA C 212 61.326 59.600 1.726 2 1 700 . 1 1 A 70 70 HIS CB C 212 30.480 30.383 0.097 2 1 701 . 1 1 A 70 70 HIS N N 212 122.474 123.021 -0.547 2 1 702 . 1 1 A 71 71 GLY H H 213 9.138 8.572 0.566 2 1 703 . 1 1 A 71 71 GLY HA2 H 213 3.930 3.618 0.312 2 1 704 . 1 1 A 71 71 GLY HA3 H 213 3.693 3.677 0.016 2 1 705 . 1 1 A 71 71 GLY C C 213 176.374 176.065 0.309 2 1 706 . 1 1 A 71 71 GLY CA C 213 46.837 46.990 -0.153 2 1 707 . 1 1 A 71 71 GLY N N 213 103.821 106.444 -2.623 2 1 708 . 1 1 A 72 72 ASP H H 214 7.344 7.814 -0.470 2 1 709 . 1 1 A 72 72 ASP HA H 214 4.499 4.334 0.165 2 1 712 . 1 1 A 72 72 ASP C C 214 178.391 178.745 -0.354 2 1 713 . 1 1 A 72 72 ASP CA C 214 56.650 56.690 -0.040 2 1 714 . 1 1 A 72 72 ASP CB C 214 41.284 40.928 0.356 2 1 715 . 1 1 A 72 72 ASP N N 214 120.357 122.522 -2.165 2 1 716 . 1 1 A 73 73 VAL H H 215 7.697 8.402 -0.705 2 1 717 . 1 1 A 73 73 VAL HA H 215 3.804 3.598 0.206 2 1 725 . 1 1 A 73 73 VAL C C 215 177.258 178.534 -1.276 2 1 726 . 1 1 A 73 73 VAL CA C 215 65.957 66.224 -0.267 2 1 727 . 1 1 A 73 73 VAL CB C 215 31.411 31.514 -0.103 2 1 730 . 1 1 A 73 73 VAL N N 215 123.318 120.239 3.079 2 1 731 . 1 1 A 74 74 VAL H H 216 8.144 8.552 -0.408 2 1 732 . 1 1 A 74 74 VAL HA H 216 3.474 3.499 -0.025 2 1 740 . 1 1 A 74 74 VAL C C 216 178.839 178.106 0.733 2 1 741 . 1 1 A 74 74 VAL CA C 216 66.866 66.200 0.666 2 1 742 . 1 1 A 74 74 VAL CB C 216 31.496 31.337 0.159 2 1 745 . 1 1 A 74 74 VAL N N 216 118.785 121.288 -2.503 2 1 746 . 1 1 A 75 75 SER H H 217 8.153 8.441 -0.288 2 1 747 . 1 1 A 75 75 SER HA H 217 4.131 4.120 0.011 2 1 750 . 1 1 A 75 75 SER C C 217 176.246 176.286 -0.040 2 1 751 . 1 1 A 75 75 SER CA C 217 62.198 61.936 0.262 2 1 752 . 1 1 A 75 75 SER CB C 217 65.986 62.989 2.997 2 1 753 . 1 1 A 75 75 SER N N 217 115.428 115.750 -0.322 2 1 754 . 1 1 A 76 76 ALA H H 218 7.873 8.150 -0.277 2 1 755 . 1 1 A 76 76 ALA HA H 218 4.220 4.119 0.101 2 1 759 . 1 1 A 76 76 ALA C C 218 180.251 179.931 0.320 2 1 760 . 1 1 A 76 76 ALA CA C 218 54.649 55.197 -0.548 2 1 761 . 1 1 A 76 76 ALA CB C 218 17.519 18.162 -0.643 2 1 762 . 1 1 A 76 76 ALA N N 218 125.449 122.985 2.464 2 1 763 . 1 1 A 77 77 ILE H H 219 8.357 7.737 0.620 2 1 764 . 1 1 A 77 77 ILE HA H 219 3.511 3.593 -0.082 2 1 774 . 1 1 A 77 77 ILE C C 219 181.394 178.121 3.273 2 1 775 . 1 1 A 77 77 ILE CA C 219 65.003 65.174 -0.171 2 1 776 . 1 1 A 77 77 ILE CB C 219 38.374 37.432 0.942 2 1 779 . 1 1 A 77 77 ILE N N 219 119.293 118.046 1.247 2 1 780 . 1 1 A 78 78 ARG H H 220 8.817 7.744 1.073 2 1 781 . 1 1 A 78 78 ARG HA H 220 4.162 4.044 0.118 2 1 786 . 1 1 A 78 78 ARG C C 220 178.163 178.071 0.092 2 1 787 . 1 1 A 78 78 ARG CA C 220 59.499 59.556 -0.057 2 1 788 . 1 1 A 78 78 ARG CB C 220 30.018 30.042 -0.024 2 1 790 . 1 1 A 78 78 ARG N N 220 124.633 122.813 1.820 2 1 791 . 1 1 A 79 79 ALA H H 221 8.207 8.050 0.157 2 1 792 . 1 1 A 79 79 ALA HA H 221 4.223 4.237 -0.014 2 1 796 . 1 1 A 79 79 ALA C C 221 178.343 178.503 -0.160 2 1 797 . 1 1 A 79 79 ALA CA C 221 54.107 52.749 1.358 2 1 798 . 1 1 A 79 79 ALA CB C 221 18.055 18.680 -0.625 2 1 799 . 1 1 A 79 79 ALA N N 221 120.984 120.599 0.385 2 1 800 . 1 1 A 80 80 GLY H H 222 7.239 7.905 -0.666 2 1 801 . 1 1 A 80 80 GLY HA2 H 222 4.287 3.968 0.319 2 1 802 . 1 1 A 80 80 GLY C C 222 174.203 174.547 -0.344 2 1 803 . 1 1 A 80 80 GLY CA C 222 44.921 45.288 -0.367 2 1 804 . 1 1 A 80 80 GLY N N 222 102.308 107.561 -5.253 2 1 805 . 1 1 A 81 81 GLY H H 223 7.873 8.190 -0.317 2 1 806 . 1 1 A 81 81 GLY HA2 H 223 4.229 3.839 0.390 2 1 807 . 1 1 A 81 81 GLY HA3 H 223 3.735 3.843 -0.108 2 1 808 . 1 1 A 81 81 GLY C C 223 174.031 174.948 -0.917 2 1 809 . 1 1 A 81 81 GLY CA C 223 46.465 46.917 -0.452 2 1 810 . 1 1 A 81 81 GLY N N 223 107.624 107.288 0.336 2 1 811 . 1 1 A 82 82 ASP H H 224 9.157 8.748 0.409 2 1 812 . 1 1 A 82 82 ASP HA H 224 4.625 4.617 0.008 2 1 815 . 1 1 A 82 82 ASP C C 224 173.254 175.877 -2.623 2 1 816 . 1 1 A 82 82 ASP CA C 224 54.408 54.772 -0.364 2 1 817 . 1 1 A 82 82 ASP CB C 224 40.829 41.682 -0.853 2 1 818 . 1 1 A 82 82 ASP N N 224 128.466 126.399 2.067 2 1 819 . 1 1 A 83 83 GLU H H 225 7.479 7.649 -0.170 2 1 820 . 1 1 A 83 83 GLU HA H 225 5.454 4.818 0.636 2 1 825 . 1 1 A 83 83 GLU C C 225 175.120 175.320 -0.200 2 1 826 . 1 1 A 83 83 GLU CA C 225 54.723 55.468 -0.745 2 1 827 . 1 1 A 83 83 GLU CB C 225 33.927 31.632 2.295 2 1 829 . 1 1 A 83 83 GLU N N 225 118.419 120.059 -1.640 2 1 830 . 1 1 A 84 84 THR H H 226 8.759 9.255 -0.496 2 1 831 . 1 1 A 84 84 THR HA H 226 4.680 4.823 -0.143 2 1 836 . 1 1 A 84 84 THR C C 226 170.497 173.638 -3.141 2 1 837 . 1 1 A 84 84 THR CA C 226 62.538 61.913 0.625 2 1 838 . 1 1 A 84 84 THR CB C 226 70.389 69.311 1.078 2 1 840 . 1 1 A 84 84 THR N N 226 116.177 122.263 -6.086 2 1 841 . 1 1 A 85 85 LYS H H 227 7.829 8.919 -1.090 2 1 842 . 1 1 A 85 85 LYS HA H 227 5.085 4.687 0.398 2 1 847 . 1 1 A 85 85 LYS C C 227 174.884 175.174 -0.290 2 1 848 . 1 1 A 85 85 LYS CA C 227 54.338 55.964 -1.626 2 1 849 . 1 1 A 85 85 LYS CB C 227 34.154 32.368 1.786 2 1 853 . 1 1 A 85 85 LYS N N 227 125.540 127.320 -1.780 2 1 854 . 1 1 A 86 86 LEU H H 228 8.977 9.130 -0.153 2 1 855 . 1 1 A 86 86 LEU HA H 228 5.049 5.098 -0.049 2 1 864 . 1 1 A 86 86 LEU C C 228 174.337 175.273 -0.936 2 1 865 . 1 1 A 86 86 LEU CA C 228 52.201 53.469 -1.268 2 1 866 . 1 1 A 86 86 LEU CB C 228 44.238 44.046 0.192 2 1 867 . 1 1 A 86 86 LEU N N 228 125.294 126.468 -1.174 2 1 868 . 1 1 A 87 87 LEU H H 229 8.619 8.576 0.043 2 1 869 . 1 1 A 87 87 LEU HA H 229 5.244 5.259 -0.015 2 1 875 . 1 1 A 87 87 LEU C C 229 175.951 175.722 0.229 2 1 876 . 1 1 A 87 87 LEU CA C 229 53.857 53.571 0.286 2 1 877 . 1 1 A 87 87 LEU CB C 229 43.711 44.399 -0.688 2 1 878 . 1 1 A 87 87 LEU N N 229 128.223 127.426 0.797 2 1 879 . 1 1 A 88 88 VAL H H 230 9.291 8.812 0.479 2 1 880 . 1 1 A 88 88 VAL HA H 230 5.627 5.527 0.100 2 1 888 . 1 1 A 88 88 VAL C C 230 174.077 174.690 -0.613 2 1 889 . 1 1 A 88 88 VAL CA C 230 58.217 59.718 -1.501 2 1 890 . 1 1 A 88 88 VAL CB C 230 36.697 35.487 1.210 2 1 893 . 1 1 A 88 88 VAL N N 230 120.780 121.388 -0.608 2 1 894 . 1 1 A 89 89 VAL H H 231 8.241 8.509 -0.268 2 1 895 . 1 1 A 89 89 VAL HA H 231 4.814 4.715 0.099 2 1 903 . 1 1 A 89 89 VAL C C 231 174.661 174.321 0.340 2 1 904 . 1 1 A 89 89 VAL CA C 231 58.524 60.249 -1.725 2 1 905 . 1 1 A 89 89 VAL CB C 231 35.588 35.153 0.435 2 1 908 . 1 1 A 89 89 VAL N N 231 110.935 121.058 -10.123 2 1 909 . 1 1 A 90 90 ASP H H 232 7.841 8.641 -0.800 2 1 910 . 1 1 A 90 90 ASP HA H 232 4.883 4.676 0.207 2 1 913 . 1 1 A 90 90 ASP C C 232 175.406 176.816 -1.410 2 1 914 . 1 1 A 90 90 ASP CA C 232 52.420 53.590 -1.170 2 1 915 . 1 1 A 90 90 ASP CB C 232 41.621 41.075 0.546 2 1 916 . 1 1 A 90 90 ASP N N 232 122.442 125.677 -3.235 2 1 917 . 1 1 A 91 91 ARG H H 233 8.780 8.881 -0.101 2 1 918 . 1 1 A 91 91 ARG HA H 233 4.228 4.328 -0.100 2 1 921 . 1 1 A 91 91 ARG C C 233 177.865 178.456 -0.591 2 1 922 . 1 1 A 91 91 ARG CA C 233 58.821 58.221 0.600 2 1 923 . 1 1 A 91 91 ARG CB C 233 29.977 30.302 -0.325 2 1 925 . 1 1 A 91 91 ARG N N 233 120.292 126.966 -6.674 2 1 926 . 1 1 A 92 92 GLU H H 234 8.663 7.767 0.896 2 1 927 . 1 1 A 92 92 GLU HA H 234 4.071 4.114 -0.043 2 1 932 . 1 1 A 92 92 GLU C C 234 178.395 179.092 -0.697 2 1 933 . 1 1 A 92 92 GLU CA C 234 59.115 59.161 -0.046 2 1 934 . 1 1 A 92 92 GLU CB C 234 29.131 29.619 -0.488 2 1 936 . 1 1 A 92 92 GLU N N 234 119.448 119.220 0.228 2 1 937 . 1 1 A 93 93 THR H H 235 8.255 8.145 0.110 2 1 938 . 1 1 A 93 93 THR HA H 235 3.975 4.134 -0.159 2 1 943 . 1 1 A 93 93 THR C C 235 175.146 175.864 -0.718 2 1 944 . 1 1 A 93 93 THR CA C 235 65.516 66.206 -0.690 2 1 945 . 1 1 A 93 93 THR CB C 235 68.363 68.399 -0.036 2 1 947 . 1 1 A 93 93 THR N N 235 117.260 117.073 0.187 2 1 948 . 1 1 A 94 94 ASP H H 236 8.302 8.322 -0.020 2 1 949 . 1 1 A 94 94 ASP HA H 236 4.557 4.445 0.112 2 1 952 . 1 1 A 94 94 ASP C C 236 177.739 177.642 0.097 2 1 953 . 1 1 A 94 94 ASP CA C 236 55.460 57.392 -1.932 2 1 954 . 1 1 A 94 94 ASP CB C 236 41.093 41.426 -0.333 2 1 955 . 1 1 A 94 94 ASP N N 236 122.075 121.375 0.700 2 1 956 . 1 1 A 95 95 GLU H H 237 8.084 8.186 -0.102 2 1 957 . 1 1 A 95 95 GLU HA H 237 4.032 4.413 -0.381 2 1 961 . 1 1 A 95 95 GLU C C 237 176.899 178.703 -1.804 2 1 962 . 1 1 A 95 95 GLU CA C 237 57.612 58.228 -0.616 2 1 963 . 1 1 A 95 95 GLU CB C 237 29.393 30.541 -1.148 2 1 965 . 1 1 A 95 95 GLU N N 237 117.733 117.171 0.562 2 1 966 . 1 1 A 96 96 PHE H H 238 7.927 8.528 -0.601 2 1 967 . 1 1 A 96 96 PHE HA H 238 4.363 4.271 0.092 2 1 974 . 1 1 A 96 96 PHE C C 238 175.655 177.523 -1.868 2 1 975 . 1 1 A 96 96 PHE CA C 238 59.139 61.688 -2.549 2 1 976 . 1 1 A 96 96 PHE CB C 238 39.723 39.510 0.213 2 1 977 . 1 1 A 96 96 PHE N N 238 119.312 121.921 -2.609 2 1 978 . 1 1 A 97 97 PHE H H 239 7.896 8.432 -0.536 2 1 979 . 1 1 A 97 97 PHE HA H 239 4.506 4.056 0.450 2 1 986 . 1 1 A 97 97 PHE C C 239 174.173 177.398 -3.224 2 1 987 . 1 1 A 97 97 PHE CA C 239 58.034 61.138 -3.104 2 1 988 . 1 1 A 97 97 PHE CB C 239 39.447 39.317 0.130 2 1 989 . 1 1 A 97 97 PHE N N 239 119.260 120.101 -0.841 2 stop_ save_