data_10202_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10202 _Entry.PDB_ID 2EMH _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 7 7 GLY CA C 7 45.428 44.096 1.332 1 1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.031 4.122 -0.091 1 1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.031 4.123 -0.092 1 1 4 . 1 1 1 A 7 7 GLY C C 7 174.504 172.880 1.624 1 1 5 . 1 1 1 A 8 8 THR N N 8 112.847 116.836 -3.989 1 1 6 . 1 1 1 A 8 8 THR H H 8 8.154 8.496 -0.342 1 1 7 . 1 1 1 A 8 8 THR CA C 8 61.882 62.114 -0.232 1 1 8 . 1 1 1 A 8 8 THR HA H 8 4.361 4.709 -0.348 1 1 9 . 1 1 1 A 8 8 THR CB C 8 69.841 70.266 -0.425 1 1 15 . 1 1 1 A 8 8 THR C C 8 175.257 174.588 0.669 1 1 16 . 1 1 1 A 9 9 GLY N N 9 110.940 111.016 -0.076 1 1 17 . 1 1 1 A 9 9 GLY H H 9 8.452 8.559 -0.107 1 1 18 . 1 1 1 A 9 9 GLY CA C 9 45.278 44.622 0.656 1 1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.920 4.181 -0.261 1 1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.920 4.181 -0.261 1 1 21 . 1 1 1 A 9 9 GLY C C 9 174.062 172.814 1.248 1 1 22 . 1 1 1 A 10 10 GLU N N 10 120.294 120.704 -0.410 1 1 23 . 1 1 1 A 10 10 GLU H H 10 8.237 8.361 -0.124 1 1 24 . 1 1 1 A 10 10 GLU CA C 10 56.821 55.074 1.747 1 1 25 . 1 1 1 A 10 10 GLU HA H 10 4.205 4.946 -0.741 1 1 26 . 1 1 1 A 10 10 GLU CB C 10 30.426 32.119 -1.693 1 1 32 . 1 1 1 A 10 10 GLU C C 10 176.322 175.358 0.964 1 1 33 . 1 1 1 A 11 11 ARG N N 11 121.374 120.627 0.747 1 1 34 . 1 1 1 A 11 11 ARG H H 11 8.295 8.482 -0.187 1 1 35 . 1 1 1 A 11 11 ARG CA C 11 53.547 52.896 0.651 1 1 36 . 1 1 1 A 11 11 ARG HA H 11 4.539 4.799 -0.260 1 1 37 . 1 1 1 A 11 11 ARG CB C 11 30.672 31.394 -0.722 1 1 45 . 1 1 1 A 11 11 ARG C C 11 173.550 175.938 -2.388 1 1 46 . 1 1 1 A 12 12 PRO CA C 12 63.252 64.890 -1.638 1 1 47 . 1 1 1 A 12 12 PRO HA H 12 4.335 4.219 0.116 1 1 48 . 1 1 1 A 12 12 PRO CB C 12 32.315 31.479 0.836 1 1 57 . 1 1 1 A 12 12 PRO C C 12 176.312 175.872 0.440 1 1 58 . 1 1 1 A 13 13 TYR N N 13 119.535 118.205 1.330 1 1 59 . 1 1 1 A 13 13 TYR H H 13 8.022 7.676 0.346 1 1 60 . 1 1 1 A 13 13 TYR CA C 13 57.666 57.793 -0.127 1 1 61 . 1 1 1 A 13 13 TYR HA H 13 4.597 4.922 -0.325 1 1 62 . 1 1 1 A 13 13 TYR CB C 13 38.476 40.458 -1.982 1 1 73 . 1 1 1 A 13 13 TYR C C 13 174.475 175.863 -1.388 1 1 74 . 1 1 1 A 14 14 ILE N N 14 124.578 121.922 2.656 1 1 75 . 1 1 1 A 14 14 ILE H H 14 8.338 8.756 -0.418 1 1 76 . 1 1 1 A 14 14 ILE CA C 14 59.714 60.499 -0.785 1 1 77 . 1 1 1 A 14 14 ILE HA H 14 4.675 4.802 -0.127 1 1 78 . 1 1 1 A 14 14 ILE CB C 14 40.638 41.237 -0.599 1 1 91 . 1 1 1 A 14 14 ILE C C 14 175.750 175.404 0.346 1 1 92 . 1 1 1 A 15 15 CYS N N 15 128.935 127.414 1.521 1 1 93 . 1 1 1 A 15 15 CYS H H 15 9.278 9.306 -0.028 1 1 94 . 1 1 1 A 15 15 CYS CA C 15 59.752 60.009 -0.257 1 1 95 . 1 1 1 A 15 15 CYS HA H 15 4.624 4.485 0.139 1 1 96 . 1 1 1 A 15 15 CYS CB C 15 29.428 28.869 0.559 1 1 99 . 1 1 1 A 15 15 CYS C C 15 177.330 176.725 0.605 1 1 100 . 1 1 1 A 16 16 THR N N 16 124.216 119.166 5.050 1 1 101 . 1 1 1 A 16 16 THR H H 16 8.902 8.715 0.187 1 1 102 . 1 1 1 A 16 16 THR CA C 16 64.298 62.057 2.241 1 1 103 . 1 1 1 A 16 16 THR HA H 16 4.130 4.449 -0.319 1 1 104 . 1 1 1 A 16 16 THR CB C 16 68.664 68.651 0.013 1 1 110 . 1 1 1 A 16 16 THR C C 16 174.750 173.726 1.024 1 1 111 . 1 1 1 A 17 17 VAL N N 17 123.592 119.495 4.097 1 1 112 . 1 1 1 A 17 17 VAL H H 17 8.618 7.971 0.647 1 1 113 . 1 1 1 A 17 17 VAL CA C 17 65.222 63.571 1.651 1 1 114 . 1 1 1 A 17 17 VAL HA H 17 3.795 4.154 -0.359 1 1 115 . 1 1 1 A 17 17 VAL CB C 17 32.714 33.694 -0.980 1 1 125 . 1 1 1 A 17 17 VAL C C 17 177.090 177.286 -0.196 1 1 126 . 1 1 1 A 18 18 CYS N N 18 115.099 115.255 -0.156 1 1 127 . 1 1 1 A 18 18 CYS H H 18 7.957 8.080 -0.123 1 1 128 . 1 1 1 A 18 18 CYS CA C 18 58.176 59.480 -1.304 1 1 129 . 1 1 1 A 18 18 CYS HA H 18 5.159 4.644 0.515 1 1 130 . 1 1 1 A 18 18 CYS CB C 18 32.806 29.973 2.833 1 1 133 . 1 1 1 A 18 18 CYS C C 18 176.462 175.299 1.163 1 1 134 . 1 1 1 A 19 19 GLY N N 19 113.815 110.195 3.620 1 1 135 . 1 1 1 A 19 19 GLY H H 19 8.183 8.056 0.127 1 1 136 . 1 1 1 A 19 19 GLY CA C 19 46.160 45.220 0.940 1 1 137 . 1 1 1 A 19 19 GLY HA2 H 19 4.209 4.072 0.137 1 1 138 . 1 1 1 A 19 19 GLY HA3 H 19 3.748 4.077 -0.329 1 1 139 . 1 1 1 A 19 19 GLY C C 19 173.546 174.369 -0.823 1 1 140 . 1 1 1 A 20 20 LYS N N 20 123.111 121.169 1.942 1 1 141 . 1 1 1 A 20 20 LYS H H 20 7.986 7.833 0.153 1 1 142 . 1 1 1 A 20 20 LYS CA C 20 58.320 54.958 3.362 1 1 143 . 1 1 1 A 20 20 LYS HA H 20 3.936 4.616 -0.680 1 1 144 . 1 1 1 A 20 20 LYS CB C 20 33.685 34.649 -0.964 1 1 156 . 1 1 1 A 20 20 LYS C C 20 173.419 175.238 -1.819 1 1 157 . 1 1 1 A 21 21 ALA N N 21 124.165 126.865 -2.700 1 1 158 . 1 1 1 A 21 21 ALA H H 21 7.779 8.572 -0.793 1 1 159 . 1 1 1 A 21 21 ALA CA C 21 50.486 50.219 0.267 1 1 160 . 1 1 1 A 21 21 ALA HA H 21 5.105 5.407 -0.302 1 1 161 . 1 1 1 A 21 21 ALA CB C 21 22.458 22.640 -0.182 1 1 165 . 1 1 1 A 21 21 ALA C C 21 176.756 176.139 0.617 1 1 166 . 1 1 1 A 22 22 PHE N N 22 118.244 117.361 0.883 1 1 167 . 1 1 1 A 22 22 PHE H H 22 8.986 8.735 0.251 1 1 168 . 1 1 1 A 22 22 PHE CA C 22 57.418 56.838 0.580 1 1 169 . 1 1 1 A 22 22 PHE HA H 22 4.717 4.922 -0.205 1 1 170 . 1 1 1 A 22 22 PHE CB C 22 43.231 42.865 0.366 1 1 183 . 1 1 1 A 22 22 PHE C C 22 175.604 175.638 -0.034 1 1 184 . 1 1 1 A 23 23 THR N N 23 112.986 116.913 -3.927 1 1 185 . 1 1 1 A 23 23 THR H H 23 8.941 8.862 0.079 1 1 186 . 1 1 1 A 23 23 THR CA C 23 63.847 65.316 -1.469 1 1 187 . 1 1 1 A 23 23 THR HA H 23 4.470 4.303 0.167 1 1 188 . 1 1 1 A 23 23 THR CB C 23 69.556 69.093 0.463 1 1 194 . 1 1 1 A 23 23 THR C C 23 174.032 174.646 -0.614 1 1 195 . 1 1 1 A 24 24 ASP N N 24 118.330 119.902 -1.572 1 1 196 . 1 1 1 A 24 24 ASP H H 24 7.637 8.055 -0.418 1 1 197 . 1 1 1 A 24 24 ASP CA C 24 52.811 53.789 -0.978 1 1 198 . 1 1 1 A 24 24 ASP HA H 24 4.808 4.834 -0.026 1 1 199 . 1 1 1 A 24 24 ASP CB C 24 43.632 42.687 0.945 1 1 202 . 1 1 1 A 24 24 ASP C C 24 175.092 175.961 -0.869 1 1 203 . 1 1 1 A 25 25 ARG N N 25 124.562 126.295 -1.733 1 1 204 . 1 1 1 A 25 25 ARG H H 25 8.384 8.611 -0.227 1 1 205 . 1 1 1 A 25 25 ARG CA C 25 59.227 59.519 -0.292 1 1 206 . 1 1 1 A 25 25 ARG HA H 25 3.139 3.000 0.139 1 1 207 . 1 1 1 A 25 25 ARG CB C 25 29.797 29.551 0.246 1 1 216 . 1 1 1 A 25 25 ARG C C 25 177.768 177.716 0.052 1 1 217 . 1 1 1 A 26 26 SER N N 26 114.310 116.421 -2.111 1 1 218 . 1 1 1 A 26 26 SER H H 26 8.404 8.099 0.305 1 1 219 . 1 1 1 A 26 26 SER CA C 26 61.865 61.971 -0.106 1 1 220 . 1 1 1 A 26 26 SER HA H 26 3.981 4.064 -0.083 1 1 221 . 1 1 1 A 26 26 SER CB C 26 62.116 62.647 -0.531 1 1 224 . 1 1 1 A 26 26 SER C C 26 177.339 176.484 0.855 1 1 225 . 1 1 1 A 27 27 ASN N N 27 120.170 120.409 -0.239 1 1 226 . 1 1 1 A 27 27 ASN H H 27 8.024 8.123 -0.099 1 1 227 . 1 1 1 A 27 27 ASN CA C 27 55.713 56.522 -0.809 1 1 228 . 1 1 1 A 27 27 ASN HA H 27 4.426 4.370 0.056 1 1 229 . 1 1 1 A 27 27 ASN CB C 27 38.343 37.971 0.372 1 1 235 . 1 1 1 A 27 27 ASN C C 27 177.564 177.828 -0.264 1 1 236 . 1 1 1 A 28 28 LEU N N 28 123.285 121.392 1.893 1 1 237 . 1 1 1 A 28 28 LEU H H 28 7.047 7.608 -0.561 1 1 238 . 1 1 1 A 28 28 LEU CA C 28 58.259 57.950 0.309 1 1 239 . 1 1 1 A 28 28 LEU HA H 28 3.147 2.584 0.563 1 1 240 . 1 1 1 A 28 28 LEU CB C 28 40.313 41.223 -0.910 1 1 253 . 1 1 1 A 28 28 LEU C C 28 177.394 178.377 -0.983 1 1 254 . 1 1 1 A 29 29 ILE N N 29 119.714 120.160 -0.446 1 1 255 . 1 1 1 A 29 29 ILE H H 29 8.148 7.879 0.269 1 1 256 . 1 1 1 A 29 29 ILE CA C 29 64.564 65.317 -0.753 1 1 257 . 1 1 1 A 29 29 ILE HA H 29 3.692 3.461 0.231 1 1 258 . 1 1 1 A 29 29 ILE CB C 29 37.503 37.731 -0.228 1 1 271 . 1 1 1 A 29 29 ILE C C 29 179.034 178.137 0.897 1 1 272 . 1 1 1 A 30 30 LYS N N 30 118.869 120.970 -2.101 1 1 273 . 1 1 1 A 30 30 LYS H H 30 7.539 7.868 -0.329 1 1 274 . 1 1 1 A 30 30 LYS CA C 30 59.707 58.913 0.794 1 1 275 . 1 1 1 A 30 30 LYS HA H 30 3.917 3.976 -0.059 1 1 276 . 1 1 1 A 30 30 LYS CB C 30 32.807 31.930 0.877 1 1 288 . 1 1 1 A 30 30 LYS C C 30 179.031 179.096 -0.065 1 1 289 . 1 1 1 A 31 31 HIS N N 31 118.737 119.413 -0.676 1 1 290 . 1 1 1 A 31 31 HIS H H 31 7.554 7.966 -0.412 1 1 291 . 1 1 1 A 31 31 HIS CA C 31 59.020 59.642 -0.622 1 1 292 . 1 1 1 A 31 31 HIS HA H 31 4.175 4.214 -0.039 1 1 293 . 1 1 1 A 31 31 HIS CB C 31 28.480 29.720 -1.240 1 1 300 . 1 1 1 A 31 31 HIS C C 31 176.197 177.287 -1.090 1 1 301 . 1 1 1 A 32 32 GLN N N 32 115.420 118.269 -2.849 1 1 302 . 1 1 1 A 32 32 GLN H H 32 8.379 8.033 0.346 1 1 303 . 1 1 1 A 32 32 GLN CA C 32 59.377 58.917 0.460 1 1 304 . 1 1 1 A 32 32 GLN HA H 32 3.642 3.886 -0.244 1 1 305 . 1 1 1 A 32 32 GLN CB C 32 28.253 28.404 -0.151 1 1 314 . 1 1 1 A 32 32 GLN C C 32 177.510 178.408 -0.898 1 1 315 . 1 1 1 A 33 33 LYS N N 33 117.483 118.917 -1.434 1 1 316 . 1 1 1 A 33 33 LYS H H 33 7.088 7.952 -0.864 1 1 317 . 1 1 1 A 33 33 LYS CA C 33 58.393 58.268 0.125 1 1 318 . 1 1 1 A 33 33 LYS HA H 33 4.094 3.981 0.113 1 1 319 . 1 1 1 A 33 33 LYS CB C 33 32.312 32.017 0.295 1 1 331 . 1 1 1 A 33 33 LYS C C 33 178.685 178.713 -0.028 1 1 332 . 1 1 1 A 34 34 ILE N N 34 116.168 115.089 1.079 1 1 333 . 1 1 1 A 34 34 ILE H H 34 7.815 7.460 0.355 1 1 334 . 1 1 1 A 34 34 ILE CA C 34 63.019 64.133 -1.114 1 1 335 . 1 1 1 A 34 34 ILE HA H 34 3.979 3.741 0.238 1 1 336 . 1 1 1 A 34 34 ILE CB C 34 37.697 37.170 0.527 1 1 349 . 1 1 1 A 34 34 ILE C C 34 177.346 177.718 -0.372 1 1 350 . 1 1 1 A 35 35 HIS N N 35 117.330 120.605 -3.275 1 1 351 . 1 1 1 A 35 35 HIS H H 35 7.193 7.681 -0.488 1 1 352 . 1 1 1 A 35 35 HIS CA C 35 54.932 58.760 -3.828 1 1 353 . 1 1 1 A 35 35 HIS HA H 35 4.916 4.415 0.501 1 1 354 . 1 1 1 A 35 35 HIS CB C 35 28.387 30.564 -2.177 1 1 361 . 1 1 1 A 35 35 HIS C C 35 175.585 177.289 -1.704 1 1 362 . 1 1 1 A 36 36 THR N N 36 112.446 113.292 -0.846 1 1 363 . 1 1 1 A 36 36 THR H H 36 7.752 8.015 -0.263 1 1 364 . 1 1 1 A 36 36 THR CA C 36 62.671 64.428 -1.757 1 1 365 . 1 1 1 A 36 36 THR HA H 36 4.329 4.111 0.218 1 1 366 . 1 1 1 A 36 36 THR CB C 36 69.763 69.801 -0.038 1 1 372 . 1 1 1 A 36 36 THR C C 36 175.346 174.783 0.563 1 1 373 . 1 1 1 A 37 37 GLY N N 37 110.884 108.209 2.675 1 1 374 . 1 1 1 A 37 37 GLY H H 37 8.312 7.631 0.681 1 1 375 . 1 1 1 A 37 37 GLY CA C 37 45.315 45.181 0.134 1 1 376 . 1 1 1 A 37 37 GLY HA2 H 37 3.987 4.146 -0.159 1 1 377 . 1 1 1 A 37 37 GLY HA3 H 37 3.987 4.158 -0.171 1 1 378 . 1 1 1 A 37 37 GLY C C 37 174.024 174.493 -0.469 1 1 379 . 1 1 1 A 38 38 GLU N N 38 120.586 120.525 0.061 1 1 380 . 1 1 1 A 38 38 GLU H H 38 8.084 8.398 -0.314 1 1 381 . 1 1 1 A 38 38 GLU CA C 38 56.427 57.086 -0.659 1 1 382 . 1 1 1 A 38 38 GLU HA H 38 4.248 4.545 -0.297 1 1 383 . 1 1 1 A 38 38 GLU CB C 38 30.573 31.620 -1.047 1 1 389 . 1 1 1 A 38 38 GLU C C 38 176.226 176.282 -0.056 1 1 390 . 1 1 1 A 39 39 LYS N N 39 123.823 118.408 5.415 1 1 391 . 1 1 1 A 39 39 LYS H H 39 8.425 7.730 0.695 1 1 392 . 1 1 1 A 39 39 LYS CA C 39 54.118 52.767 1.351 1 1 393 . 1 1 1 A 39 39 LYS HA H 39 4.604 4.769 -0.165 1 1 394 . 1 1 1 A 39 39 LYS CB C 39 32.536 33.963 -1.427 1 1 406 . 1 1 1 A 39 39 LYS C C 39 174.461 173.848 0.613 1 1 407 . 1 1 1 A 40 40 PRO CA C 40 63.231 62.417 0.814 1 1 408 . 1 1 1 A 40 40 PRO HA H 40 4.460 4.593 -0.133 1 1 409 . 1 1 1 A 40 40 PRO CB C 40 32.200 32.925 -0.725 1 1 418 . 1 1 1 A 40 40 PRO C C 40 176.951 176.836 0.115 1 1 419 . 1 1 1 A 41 41 SER N N 41 116.497 115.044 1.453 1 1 420 . 1 1 1 A 41 41 SER H H 41 8.475 8.515 -0.040 1 1 421 . 1 1 1 A 41 41 SER CA C 41 58.375 57.981 0.394 1 1 422 . 1 1 1 A 41 41 SER HA H 41 4.491 4.484 0.007 1 1 423 . 1 1 1 A 41 41 SER CB C 41 63.953 62.293 1.660 1 1 425 . 1 1 1 A 41 41 SER C C 41 174.588 174.649 -0.061 1 1 426 . 1 1 1 A 42 42 GLY CA C 42 44.665 44.499 0.166 1 1 427 . 1 1 1 A 42 42 GLY HA2 H 42 4.111 4.218 -0.107 1 1 428 . 1 1 1 A 42 42 GLY HA3 H 42 4.153 4.218 -0.065 1 1 429 . 1 1 1 A 43 43 PRO CA C 43 63.238 63.950 -0.712 1 1 430 . 1 1 1 A 43 43 PRO HA H 43 4.467 4.508 -0.041 1 1 431 . 1 1 1 A 43 43 PRO CB C 43 32.174 31.763 0.411 1 1 440 . 1 1 1 A 45 45 SER CA C 45 58.360 57.929 0.431 1 1 441 . 1 1 1 A 45 45 SER HA H 45 4.482 4.712 -0.230 1 1 442 . 1 1 1 A 45 45 SER CB C 45 64.038 63.500 0.538 1 1 445 . 1 1 1 A 45 45 SER C C 45 173.890 174.318 -0.428 1 1 1 . 2 1 1 A 7 7 GLY CA C 7 45.428 45.743 -0.315 1 1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.031 4.113 -0.082 1 1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.031 4.119 -0.088 1 1 4 . 2 1 1 A 7 7 GLY C C 7 174.504 174.927 -0.423 1 1 5 . 2 1 1 A 8 8 THR N N 8 112.847 116.131 -3.284 1 1 6 . 2 1 1 A 8 8 THR H H 8 8.154 8.005 0.149 1 1 7 . 2 1 1 A 8 8 THR CA C 8 61.882 63.508 -1.626 1 1 8 . 2 1 1 A 8 8 THR HA H 8 4.361 4.111 0.250 1 1 9 . 2 1 1 A 8 8 THR CB C 8 69.841 70.191 -0.350 1 1 15 . 2 1 1 A 8 8 THR C C 8 175.257 174.456 0.801 1 1 16 . 2 1 1 A 9 9 GLY N N 9 110.940 108.527 2.413 1 1 17 . 2 1 1 A 9 9 GLY H H 9 8.452 7.631 0.821 1 1 18 . 2 1 1 A 9 9 GLY CA C 9 45.278 44.452 0.826 1 1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.920 4.027 -0.107 1 1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.920 4.035 -0.115 1 1 21 . 2 1 1 A 9 9 GLY C C 9 174.062 173.597 0.465 1 1 22 . 2 1 1 A 10 10 GLU N N 10 120.294 119.310 0.984 1 1 23 . 2 1 1 A 10 10 GLU H H 10 8.237 8.750 -0.513 1 1 24 . 2 1 1 A 10 10 GLU CA C 10 56.821 57.328 -0.507 1 1 25 . 2 1 1 A 10 10 GLU HA H 10 4.205 3.824 0.381 1 1 26 . 2 1 1 A 10 10 GLU CB C 10 30.426 27.771 2.655 1 1 32 . 2 1 1 A 10 10 GLU C C 10 176.322 175.206 1.116 1 1 33 . 2 1 1 A 11 11 ARG N N 11 121.374 119.346 2.028 1 1 34 . 2 1 1 A 11 11 ARG H H 11 8.295 8.106 0.189 1 1 35 . 2 1 1 A 11 11 ARG CA C 11 53.547 53.698 -0.151 1 1 36 . 2 1 1 A 11 11 ARG HA H 11 4.539 4.731 -0.192 1 1 37 . 2 1 1 A 11 11 ARG CB C 11 30.672 30.419 0.253 1 1 45 . 2 1 1 A 11 11 ARG C C 11 173.550 175.955 -2.405 1 1 46 . 2 1 1 A 12 12 PRO CA C 12 63.252 64.974 -1.722 1 1 47 . 2 1 1 A 12 12 PRO HA H 12 4.335 4.202 0.133 1 1 48 . 2 1 1 A 12 12 PRO CB C 12 32.315 31.448 0.867 1 1 57 . 2 1 1 A 12 12 PRO C C 12 176.312 175.870 0.442 1 1 58 . 2 1 1 A 13 13 TYR N N 13 119.535 117.757 1.778 1 1 59 . 2 1 1 A 13 13 TYR H H 13 8.022 7.680 0.342 1 1 60 . 2 1 1 A 13 13 TYR CA C 13 57.666 57.650 0.016 1 1 61 . 2 1 1 A 13 13 TYR HA H 13 4.597 5.036 -0.439 1 1 62 . 2 1 1 A 13 13 TYR CB C 13 38.476 40.075 -1.599 1 1 73 . 2 1 1 A 13 13 TYR C C 13 174.475 175.302 -0.827 1 1 74 . 2 1 1 A 14 14 ILE N N 14 124.578 122.934 1.644 1 1 75 . 2 1 1 A 14 14 ILE H H 14 8.338 8.802 -0.464 1 1 76 . 2 1 1 A 14 14 ILE CA C 14 59.714 60.351 -0.637 1 1 77 . 2 1 1 A 14 14 ILE HA H 14 4.675 4.913 -0.238 1 1 78 . 2 1 1 A 14 14 ILE CB C 14 40.638 41.527 -0.889 1 1 91 . 2 1 1 A 14 14 ILE C C 14 175.750 175.157 0.593 1 1 92 . 2 1 1 A 15 15 CYS N N 15 128.935 127.219 1.716 1 1 93 . 2 1 1 A 15 15 CYS H H 15 9.278 9.455 -0.177 1 1 94 . 2 1 1 A 15 15 CYS CA C 15 59.752 60.380 -0.628 1 1 95 . 2 1 1 A 15 15 CYS HA H 15 4.624 4.558 0.066 1 1 96 . 2 1 1 A 15 15 CYS CB C 15 29.428 28.981 0.447 1 1 99 . 2 1 1 A 15 15 CYS C C 15 177.330 176.881 0.449 1 1 100 . 2 1 1 A 16 16 THR N N 16 124.216 120.354 3.862 1 1 101 . 2 1 1 A 16 16 THR H H 16 8.902 8.690 0.212 1 1 102 . 2 1 1 A 16 16 THR CA C 16 64.298 64.073 0.225 1 1 103 . 2 1 1 A 16 16 THR HA H 16 4.130 4.342 -0.212 1 1 104 . 2 1 1 A 16 16 THR CB C 16 68.664 68.989 -0.325 1 1 110 . 2 1 1 A 16 16 THR C C 16 174.750 176.310 -1.560 1 1 111 . 2 1 1 A 17 17 VAL N N 17 123.592 121.882 1.710 1 1 112 . 2 1 1 A 17 17 VAL H H 17 8.618 7.979 0.639 1 1 113 . 2 1 1 A 17 17 VAL CA C 17 65.222 66.556 -1.334 1 1 114 . 2 1 1 A 17 17 VAL HA H 17 3.795 3.415 0.380 1 1 115 . 2 1 1 A 17 17 VAL CB C 17 32.714 31.486 1.228 1 1 125 . 2 1 1 A 17 17 VAL C C 17 177.090 177.178 -0.088 1 1 126 . 2 1 1 A 18 18 CYS N N 18 115.099 114.958 0.141 1 1 127 . 2 1 1 A 18 18 CYS H H 18 7.957 7.816 0.141 1 1 128 . 2 1 1 A 18 18 CYS CA C 18 58.176 59.562 -1.386 1 1 129 . 2 1 1 A 18 18 CYS HA H 18 5.159 4.546 0.613 1 1 130 . 2 1 1 A 18 18 CYS CB C 18 32.806 29.684 3.122 1 1 133 . 2 1 1 A 18 18 CYS C C 18 176.462 175.261 1.201 1 1 134 . 2 1 1 A 19 19 GLY N N 19 113.815 110.312 3.503 1 1 135 . 2 1 1 A 19 19 GLY H H 19 8.183 8.151 0.032 1 1 136 . 2 1 1 A 19 19 GLY CA C 19 46.160 45.184 0.976 1 1 137 . 2 1 1 A 19 19 GLY HA2 H 19 4.209 4.079 0.130 1 1 138 . 2 1 1 A 19 19 GLY HA3 H 19 3.748 4.092 -0.344 1 1 139 . 2 1 1 A 19 19 GLY C C 19 173.546 174.367 -0.821 1 1 140 . 2 1 1 A 20 20 LYS N N 20 123.111 121.789 1.322 1 1 141 . 2 1 1 A 20 20 LYS H H 20 7.986 7.528 0.458 1 1 142 . 2 1 1 A 20 20 LYS CA C 20 58.320 55.464 2.856 1 1 143 . 2 1 1 A 20 20 LYS HA H 20 3.936 4.559 -0.623 1 1 144 . 2 1 1 A 20 20 LYS CB C 20 33.685 33.955 -0.270 1 1 156 . 2 1 1 A 20 20 LYS C C 20 173.419 175.282 -1.863 1 1 157 . 2 1 1 A 21 21 ALA N N 21 124.165 126.347 -2.182 1 1 158 . 2 1 1 A 21 21 ALA H H 21 7.779 8.325 -0.546 1 1 159 . 2 1 1 A 21 21 ALA CA C 21 50.486 49.985 0.501 1 1 160 . 2 1 1 A 21 21 ALA HA H 21 5.105 5.564 -0.459 1 1 161 . 2 1 1 A 21 21 ALA CB C 21 22.458 22.705 -0.247 1 1 165 . 2 1 1 A 21 21 ALA C C 21 176.756 175.870 0.886 1 1 166 . 2 1 1 A 22 22 PHE N N 22 118.244 117.023 1.221 1 1 167 . 2 1 1 A 22 22 PHE H H 22 8.986 8.719 0.267 1 1 168 . 2 1 1 A 22 22 PHE CA C 22 57.418 56.807 0.611 1 1 169 . 2 1 1 A 22 22 PHE HA H 22 4.717 4.897 -0.180 1 1 170 . 2 1 1 A 22 22 PHE CB C 22 43.231 42.824 0.407 1 1 183 . 2 1 1 A 22 22 PHE C C 22 175.604 175.850 -0.246 1 1 184 . 2 1 1 A 23 23 THR N N 23 112.986 115.685 -2.699 1 1 185 . 2 1 1 A 23 23 THR H H 23 8.941 8.680 0.261 1 1 186 . 2 1 1 A 23 23 THR CA C 23 63.847 64.689 -0.842 1 1 187 . 2 1 1 A 23 23 THR HA H 23 4.470 4.296 0.174 1 1 188 . 2 1 1 A 23 23 THR CB C 23 69.556 69.084 0.472 1 1 194 . 2 1 1 A 23 23 THR C C 23 174.032 174.423 -0.391 1 1 195 . 2 1 1 A 24 24 ASP N N 24 118.330 120.359 -2.029 1 1 196 . 2 1 1 A 24 24 ASP H H 24 7.637 8.212 -0.575 1 1 197 . 2 1 1 A 24 24 ASP CA C 24 52.811 53.026 -0.215 1 1 198 . 2 1 1 A 24 24 ASP HA H 24 4.808 5.101 -0.293 1 1 199 . 2 1 1 A 24 24 ASP CB C 24 43.632 42.917 0.715 1 1 202 . 2 1 1 A 24 24 ASP C C 24 175.092 176.645 -1.553 1 1 203 . 2 1 1 A 25 25 ARG N N 25 124.562 123.342 1.220 1 1 204 . 2 1 1 A 25 25 ARG H H 25 8.384 7.989 0.395 1 1 205 . 2 1 1 A 25 25 ARG CA C 25 59.227 58.405 0.822 1 1 206 . 2 1 1 A 25 25 ARG HA H 25 3.139 3.433 -0.294 1 1 207 . 2 1 1 A 25 25 ARG CB C 25 29.797 29.195 0.602 1 1 216 . 2 1 1 A 25 25 ARG C C 25 177.768 177.424 0.344 1 1 217 . 2 1 1 A 26 26 SER N N 26 114.310 116.610 -2.300 1 1 218 . 2 1 1 A 26 26 SER H H 26 8.404 7.929 0.475 1 1 219 . 2 1 1 A 26 26 SER CA C 26 61.865 61.901 -0.036 1 1 220 . 2 1 1 A 26 26 SER HA H 26 3.981 4.013 -0.032 1 1 221 . 2 1 1 A 26 26 SER CB C 26 62.116 62.457 -0.341 1 1 224 . 2 1 1 A 26 26 SER C C 26 177.339 176.650 0.689 1 1 225 . 2 1 1 A 27 27 ASN N N 27 120.170 120.379 -0.209 1 1 226 . 2 1 1 A 27 27 ASN H H 27 8.024 8.154 -0.130 1 1 227 . 2 1 1 A 27 27 ASN CA C 27 55.713 56.480 -0.767 1 1 228 . 2 1 1 A 27 27 ASN HA H 27 4.426 4.403 0.023 1 1 229 . 2 1 1 A 27 27 ASN CB C 27 38.343 38.106 0.237 1 1 235 . 2 1 1 A 27 27 ASN C C 27 177.564 177.576 -0.012 1 1 236 . 2 1 1 A 28 28 LEU N N 28 123.285 120.226 3.059 1 1 237 . 2 1 1 A 28 28 LEU H H 28 7.047 7.158 -0.111 1 1 238 . 2 1 1 A 28 28 LEU CA C 28 58.259 57.850 0.409 1 1 239 . 2 1 1 A 28 28 LEU HA H 28 3.147 2.958 0.189 1 1 240 . 2 1 1 A 28 28 LEU CB C 28 40.313 41.577 -1.264 1 1 253 . 2 1 1 A 28 28 LEU C C 28 177.394 178.726 -1.332 1 1 254 . 2 1 1 A 29 29 ILE N N 29 119.714 120.101 -0.387 1 1 255 . 2 1 1 A 29 29 ILE H H 29 8.148 8.404 -0.256 1 1 256 . 2 1 1 A 29 29 ILE CA C 29 64.564 65.634 -1.070 1 1 257 . 2 1 1 A 29 29 ILE HA H 29 3.692 3.411 0.281 1 1 258 . 2 1 1 A 29 29 ILE CB C 29 37.503 37.760 -0.257 1 1 271 . 2 1 1 A 29 29 ILE C C 29 179.034 178.210 0.824 1 1 272 . 2 1 1 A 30 30 LYS N N 30 118.869 120.838 -1.969 1 1 273 . 2 1 1 A 30 30 LYS H H 30 7.539 7.925 -0.386 1 1 274 . 2 1 1 A 30 30 LYS CA C 30 59.707 58.815 0.892 1 1 275 . 2 1 1 A 30 30 LYS HA H 30 3.917 3.933 -0.016 1 1 276 . 2 1 1 A 30 30 LYS CB C 30 32.807 31.814 0.993 1 1 288 . 2 1 1 A 30 30 LYS C C 30 179.031 179.077 -0.046 1 1 289 . 2 1 1 A 31 31 HIS N N 31 118.737 119.479 -0.742 1 1 290 . 2 1 1 A 31 31 HIS H H 31 7.554 8.064 -0.510 1 1 291 . 2 1 1 A 31 31 HIS CA C 31 59.020 59.838 -0.818 1 1 292 . 2 1 1 A 31 31 HIS HA H 31 4.175 4.123 0.052 1 1 293 . 2 1 1 A 31 31 HIS CB C 31 28.480 29.500 -1.020 1 1 300 . 2 1 1 A 31 31 HIS C C 31 176.197 177.329 -1.132 1 1 301 . 2 1 1 A 32 32 GLN N N 32 115.420 118.640 -3.220 1 1 302 . 2 1 1 A 32 32 GLN H H 32 8.379 8.340 0.039 1 1 303 . 2 1 1 A 32 32 GLN CA C 32 59.377 58.257 1.120 1 1 304 . 2 1 1 A 32 32 GLN HA H 32 3.642 3.892 -0.250 1 1 305 . 2 1 1 A 32 32 GLN CB C 32 28.253 28.378 -0.125 1 1 314 . 2 1 1 A 32 32 GLN C C 32 177.510 178.020 -0.510 1 1 315 . 2 1 1 A 33 33 LYS N N 33 117.483 118.874 -1.391 1 1 316 . 2 1 1 A 33 33 LYS H H 33 7.088 7.495 -0.407 1 1 317 . 2 1 1 A 33 33 LYS CA C 33 58.393 58.156 0.237 1 1 318 . 2 1 1 A 33 33 LYS HA H 33 4.094 3.978 0.116 1 1 319 . 2 1 1 A 33 33 LYS CB C 33 32.312 32.122 0.190 1 1 331 . 2 1 1 A 33 33 LYS C C 33 178.685 178.807 -0.122 1 1 332 . 2 1 1 A 34 34 ILE N N 34 116.168 115.224 0.944 1 1 333 . 2 1 1 A 34 34 ILE H H 34 7.815 7.478 0.337 1 1 334 . 2 1 1 A 34 34 ILE CA C 34 63.019 62.893 0.126 1 1 335 . 2 1 1 A 34 34 ILE HA H 34 3.979 3.891 0.088 1 1 336 . 2 1 1 A 34 34 ILE CB C 34 37.697 37.175 0.522 1 1 349 . 2 1 1 A 34 34 ILE C C 34 177.346 176.284 1.062 1 1 350 . 2 1 1 A 35 35 HIS N N 35 117.330 119.383 -2.053 1 1 351 . 2 1 1 A 35 35 HIS H H 35 7.193 7.585 -0.392 1 1 352 . 2 1 1 A 35 35 HIS CA C 35 54.932 57.461 -2.529 1 1 353 . 2 1 1 A 35 35 HIS HA H 35 4.916 4.572 0.344 1 1 354 . 2 1 1 A 35 35 HIS CB C 35 28.387 31.487 -3.100 1 1 361 . 2 1 1 A 35 35 HIS C C 35 175.585 176.841 -1.256 1 1 362 . 2 1 1 A 36 36 THR N N 36 112.446 111.490 0.956 1 1 363 . 2 1 1 A 36 36 THR H H 36 7.752 7.847 -0.095 1 1 364 . 2 1 1 A 36 36 THR CA C 36 62.671 64.688 -2.017 1 1 365 . 2 1 1 A 36 36 THR HA H 36 4.329 4.139 0.190 1 1 366 . 2 1 1 A 36 36 THR CB C 36 69.763 68.683 1.080 1 1 372 . 2 1 1 A 36 36 THR C C 36 175.346 175.036 0.310 1 1 373 . 2 1 1 A 37 37 GLY N N 37 110.884 109.435 1.449 1 1 374 . 2 1 1 A 37 37 GLY H H 37 8.312 7.328 0.984 1 1 375 . 2 1 1 A 37 37 GLY CA C 37 45.315 44.698 0.617 1 1 376 . 2 1 1 A 37 37 GLY HA2 H 37 3.987 3.975 0.012 1 1 377 . 2 1 1 A 37 37 GLY HA3 H 37 3.987 3.985 0.002 1 1 378 . 2 1 1 A 37 37 GLY C C 37 174.024 172.563 1.461 1 1 379 . 2 1 1 A 38 38 GLU N N 38 120.586 124.568 -3.982 1 1 380 . 2 1 1 A 38 38 GLU H H 38 8.084 8.827 -0.743 1 1 381 . 2 1 1 A 38 38 GLU CA C 38 56.427 54.991 1.436 1 1 382 . 2 1 1 A 38 38 GLU HA H 38 4.248 4.867 -0.619 1 1 383 . 2 1 1 A 38 38 GLU CB C 38 30.573 32.717 -2.144 1 1 389 . 2 1 1 A 38 38 GLU C C 38 176.226 175.796 0.430 1 1 390 . 2 1 1 A 39 39 LYS N N 39 123.823 119.963 3.860 1 1 391 . 2 1 1 A 39 39 LYS H H 39 8.425 8.701 -0.276 1 1 392 . 2 1 1 A 39 39 LYS CA C 39 54.118 53.359 0.759 1 1 393 . 2 1 1 A 39 39 LYS HA H 39 4.604 4.867 -0.263 1 1 394 . 2 1 1 A 39 39 LYS CB C 39 32.536 34.118 -1.582 1 1 406 . 2 1 1 A 39 39 LYS C C 39 174.461 176.030 -1.569 1 1 407 . 2 1 1 A 40 40 PRO CA C 40 63.231 63.838 -0.607 1 1 408 . 2 1 1 A 40 40 PRO HA H 40 4.460 4.505 -0.045 1 1 409 . 2 1 1 A 40 40 PRO CB C 40 32.200 31.811 0.389 1 1 418 . 2 1 1 A 40 40 PRO C C 40 176.951 176.105 0.846 1 1 419 . 2 1 1 A 41 41 SER N N 41 116.497 115.688 0.809 1 1 420 . 2 1 1 A 41 41 SER H H 41 8.475 7.849 0.626 1 1 421 . 2 1 1 A 41 41 SER CA C 41 58.375 58.489 -0.114 1 1 422 . 2 1 1 A 41 41 SER HA H 41 4.491 4.493 -0.002 1 1 423 . 2 1 1 A 41 41 SER CB C 41 63.953 63.866 0.087 1 1 425 . 2 1 1 A 41 41 SER C C 41 174.588 173.926 0.662 1 1 426 . 2 1 1 A 42 42 GLY CA C 42 44.665 45.992 -1.327 1 1 427 . 2 1 1 A 42 42 GLY HA2 H 42 4.111 4.019 0.092 1 1 428 . 2 1 1 A 42 42 GLY HA3 H 42 4.153 4.020 0.133 1 1 429 . 2 1 1 A 43 43 PRO CA C 43 63.238 63.618 -0.380 1 1 430 . 2 1 1 A 43 43 PRO HA H 43 4.467 4.472 -0.005 1 1 431 . 2 1 1 A 43 43 PRO CB C 43 32.174 31.989 0.185 1 1 440 . 2 1 1 A 45 45 SER CA C 45 58.360 60.185 -1.825 1 1 441 . 2 1 1 A 45 45 SER HA H 45 4.482 4.367 0.115 1 1 442 . 2 1 1 A 45 45 SER CB C 45 64.038 64.177 -0.139 1 1 445 . 2 1 1 A 45 45 SER C C 45 173.890 175.672 -1.782 1 1 1 . 3 1 1 A 7 7 GLY CA C 7 45.428 44.761 0.667 1 1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.031 4.020 0.011 1 1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.031 4.022 0.009 1 1 4 . 3 1 1 A 7 7 GLY C C 7 174.504 172.345 2.159 1 1 5 . 3 1 1 A 8 8 THR N N 8 112.847 115.229 -2.382 1 1 6 . 3 1 1 A 8 8 THR H H 8 8.154 8.462 -0.308 1 1 7 . 3 1 1 A 8 8 THR CA C 8 61.882 59.228 2.654 1 1 8 . 3 1 1 A 8 8 THR HA H 8 4.361 5.065 -0.704 1 1 9 . 3 1 1 A 8 8 THR CB C 8 69.841 72.622 -2.781 1 1 15 . 3 1 1 A 8 8 THR C C 8 175.257 173.034 2.223 1 1 16 . 3 1 1 A 9 9 GLY N N 9 110.940 111.047 -0.107 1 1 17 . 3 1 1 A 9 9 GLY H H 9 8.452 8.346 0.106 1 1 18 . 3 1 1 A 9 9 GLY CA C 9 45.278 45.599 -0.321 1 1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.920 4.169 -0.249 1 1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.920 4.172 -0.252 1 1 21 . 3 1 1 A 9 9 GLY C C 9 174.062 173.396 0.666 1 1 22 . 3 1 1 A 10 10 GLU N N 10 120.294 123.554 -3.260 1 1 23 . 3 1 1 A 10 10 GLU H H 10 8.237 8.913 -0.676 1 1 24 . 3 1 1 A 10 10 GLU CA C 10 56.821 56.505 0.316 1 1 25 . 3 1 1 A 10 10 GLU HA H 10 4.205 4.439 -0.234 1 1 26 . 3 1 1 A 10 10 GLU CB C 10 30.426 30.781 -0.355 1 1 32 . 3 1 1 A 10 10 GLU C C 10 176.322 175.958 0.364 1 1 33 . 3 1 1 A 11 11 ARG N N 11 121.374 126.273 -4.899 1 1 34 . 3 1 1 A 11 11 ARG H H 11 8.295 8.521 -0.226 1 1 35 . 3 1 1 A 11 11 ARG CA C 11 53.547 52.891 0.656 1 1 36 . 3 1 1 A 11 11 ARG HA H 11 4.539 4.769 -0.230 1 1 37 . 3 1 1 A 11 11 ARG CB C 11 30.672 31.461 -0.789 1 1 45 . 3 1 1 A 11 11 ARG C C 11 173.550 175.813 -2.263 1 1 46 . 3 1 1 A 12 12 PRO CA C 12 63.252 64.629 -1.377 1 1 47 . 3 1 1 A 12 12 PRO HA H 12 4.335 4.281 0.054 1 1 48 . 3 1 1 A 12 12 PRO CB C 12 32.315 31.715 0.600 1 1 57 . 3 1 1 A 12 12 PRO C C 12 176.312 175.873 0.439 1 1 58 . 3 1 1 A 13 13 TYR N N 13 119.535 117.114 2.421 1 1 59 . 3 1 1 A 13 13 TYR H H 13 8.022 7.637 0.385 1 1 60 . 3 1 1 A 13 13 TYR CA C 13 57.666 57.012 0.654 1 1 61 . 3 1 1 A 13 13 TYR HA H 13 4.597 4.886 -0.289 1 1 62 . 3 1 1 A 13 13 TYR CB C 13 38.476 38.198 0.278 1 1 73 . 3 1 1 A 13 13 TYR C C 13 174.475 174.980 -0.505 1 1 74 . 3 1 1 A 14 14 ILE N N 14 124.578 124.301 0.277 1 1 75 . 3 1 1 A 14 14 ILE H H 14 8.338 9.101 -0.763 1 1 76 . 3 1 1 A 14 14 ILE CA C 14 59.714 59.545 0.169 1 1 77 . 3 1 1 A 14 14 ILE HA H 14 4.675 5.277 -0.602 1 1 78 . 3 1 1 A 14 14 ILE CB C 14 40.638 41.408 -0.770 1 1 91 . 3 1 1 A 14 14 ILE C C 14 175.750 174.846 0.904 1 1 92 . 3 1 1 A 15 15 CYS N N 15 128.935 125.570 3.365 1 1 93 . 3 1 1 A 15 15 CYS H H 15 9.278 8.993 0.285 1 1 94 . 3 1 1 A 15 15 CYS CA C 15 59.752 58.464 1.288 1 1 95 . 3 1 1 A 15 15 CYS HA H 15 4.624 4.779 -0.155 1 1 96 . 3 1 1 A 15 15 CYS CB C 15 29.428 28.704 0.724 1 1 99 . 3 1 1 A 15 15 CYS C C 15 177.330 176.021 1.309 1 1 100 . 3 1 1 A 16 16 THR N N 16 124.216 123.439 0.777 1 1 101 . 3 1 1 A 16 16 THR H H 16 8.902 9.016 -0.114 1 1 102 . 3 1 1 A 16 16 THR CA C 16 64.298 62.594 1.704 1 1 103 . 3 1 1 A 16 16 THR HA H 16 4.130 4.486 -0.356 1 1 104 . 3 1 1 A 16 16 THR CB C 16 68.664 68.686 -0.022 1 1 110 . 3 1 1 A 16 16 THR C C 16 174.750 175.399 -0.649 1 1 111 . 3 1 1 A 17 17 VAL N N 17 123.592 120.318 3.274 1 1 112 . 3 1 1 A 17 17 VAL H H 17 8.618 7.886 0.732 1 1 113 . 3 1 1 A 17 17 VAL CA C 17 65.222 63.588 1.634 1 1 114 . 3 1 1 A 17 17 VAL HA H 17 3.795 4.132 -0.337 1 1 115 . 3 1 1 A 17 17 VAL CB C 17 32.714 33.818 -1.104 1 1 125 . 3 1 1 A 17 17 VAL C C 17 177.090 177.157 -0.067 1 1 126 . 3 1 1 A 18 18 CYS N N 18 115.099 115.681 -0.582 1 1 127 . 3 1 1 A 18 18 CYS H H 18 7.957 8.004 -0.047 1 1 128 . 3 1 1 A 18 18 CYS CA C 18 58.176 59.298 -1.122 1 1 129 . 3 1 1 A 18 18 CYS HA H 18 5.159 4.615 0.544 1 1 130 . 3 1 1 A 18 18 CYS CB C 18 32.806 30.185 2.621 1 1 133 . 3 1 1 A 18 18 CYS C C 18 176.462 175.483 0.979 1 1 134 . 3 1 1 A 19 19 GLY N N 19 113.815 110.208 3.607 1 1 135 . 3 1 1 A 19 19 GLY H H 19 8.183 8.489 -0.306 1 1 136 . 3 1 1 A 19 19 GLY CA C 19 46.160 46.208 -0.048 1 1 137 . 3 1 1 A 19 19 GLY HA2 H 19 4.209 4.019 0.190 1 1 138 . 3 1 1 A 19 19 GLY HA3 H 19 3.748 4.034 -0.286 1 1 139 . 3 1 1 A 19 19 GLY C C 19 173.546 174.109 -0.563 1 1 140 . 3 1 1 A 20 20 LYS N N 20 123.111 118.642 4.469 1 1 141 . 3 1 1 A 20 20 LYS H H 20 7.986 7.919 0.067 1 1 142 . 3 1 1 A 20 20 LYS CA C 20 58.320 54.134 4.186 1 1 143 . 3 1 1 A 20 20 LYS HA H 20 3.936 4.812 -0.876 1 1 144 . 3 1 1 A 20 20 LYS CB C 20 33.685 35.641 -1.956 1 1 156 . 3 1 1 A 20 20 LYS C C 20 173.419 174.889 -1.470 1 1 157 . 3 1 1 A 21 21 ALA N N 21 124.165 120.729 3.436 1 1 158 . 3 1 1 A 21 21 ALA H H 21 7.779 8.386 -0.607 1 1 159 . 3 1 1 A 21 21 ALA CA C 21 50.486 49.833 0.653 1 1 160 . 3 1 1 A 21 21 ALA HA H 21 5.105 5.573 -0.468 1 1 161 . 3 1 1 A 21 21 ALA CB C 21 22.458 22.849 -0.391 1 1 165 . 3 1 1 A 21 21 ALA C C 21 176.756 175.279 1.477 1 1 166 . 3 1 1 A 22 22 PHE N N 22 118.244 116.665 1.579 1 1 167 . 3 1 1 A 22 22 PHE H H 22 8.986 8.541 0.445 1 1 168 . 3 1 1 A 22 22 PHE CA C 22 57.418 56.582 0.836 1 1 169 . 3 1 1 A 22 22 PHE HA H 22 4.717 4.895 -0.178 1 1 170 . 3 1 1 A 22 22 PHE CB C 22 43.231 43.188 0.043 1 1 183 . 3 1 1 A 22 22 PHE C C 22 175.604 175.653 -0.049 1 1 184 . 3 1 1 A 23 23 THR N N 23 112.986 116.548 -3.562 1 1 185 . 3 1 1 A 23 23 THR H H 23 8.941 8.838 0.103 1 1 186 . 3 1 1 A 23 23 THR CA C 23 63.847 64.537 -0.690 1 1 187 . 3 1 1 A 23 23 THR HA H 23 4.470 4.539 -0.069 1 1 188 . 3 1 1 A 23 23 THR CB C 23 69.556 69.364 0.192 1 1 194 . 3 1 1 A 23 23 THR C C 23 174.032 174.819 -0.787 1 1 195 . 3 1 1 A 24 24 ASP N N 24 118.330 119.683 -1.353 1 1 196 . 3 1 1 A 24 24 ASP H H 24 7.637 8.095 -0.458 1 1 197 . 3 1 1 A 24 24 ASP CA C 24 52.811 53.104 -0.293 1 1 198 . 3 1 1 A 24 24 ASP HA H 24 4.808 4.691 0.117 1 1 199 . 3 1 1 A 24 24 ASP CB C 24 43.632 41.567 2.065 1 1 202 . 3 1 1 A 24 24 ASP C C 24 175.092 175.891 -0.799 1 1 203 . 3 1 1 A 25 25 ARG N N 25 124.562 126.955 -2.393 1 1 204 . 3 1 1 A 25 25 ARG H H 25 8.384 8.154 0.230 1 1 205 . 3 1 1 A 25 25 ARG CA C 25 59.227 58.974 0.253 1 1 206 . 3 1 1 A 25 25 ARG HA H 25 3.139 3.157 -0.018 1 1 207 . 3 1 1 A 25 25 ARG CB C 25 29.797 29.435 0.362 1 1 216 . 3 1 1 A 25 25 ARG C C 25 177.768 177.715 0.053 1 1 217 . 3 1 1 A 26 26 SER N N 26 114.310 116.914 -2.604 1 1 218 . 3 1 1 A 26 26 SER H H 26 8.404 7.548 0.856 1 1 219 . 3 1 1 A 26 26 SER CA C 26 61.865 62.049 -0.184 1 1 220 . 3 1 1 A 26 26 SER HA H 26 3.981 4.010 -0.029 1 1 221 . 3 1 1 A 26 26 SER CB C 26 62.116 62.904 -0.788 1 1 224 . 3 1 1 A 26 26 SER C C 26 177.339 176.835 0.504 1 1 225 . 3 1 1 A 27 27 ASN N N 27 120.170 120.793 -0.623 1 1 226 . 3 1 1 A 27 27 ASN H H 27 8.024 8.215 -0.191 1 1 227 . 3 1 1 A 27 27 ASN CA C 27 55.713 56.308 -0.595 1 1 228 . 3 1 1 A 27 27 ASN HA H 27 4.426 4.514 -0.088 1 1 229 . 3 1 1 A 27 27 ASN CB C 27 38.343 38.277 0.066 1 1 235 . 3 1 1 A 27 27 ASN C C 27 177.564 177.998 -0.434 1 1 236 . 3 1 1 A 28 28 LEU N N 28 123.285 120.086 3.199 1 1 237 . 3 1 1 A 28 28 LEU H H 28 7.047 7.260 -0.213 1 1 238 . 3 1 1 A 28 28 LEU CA C 28 58.259 56.989 1.270 1 1 239 . 3 1 1 A 28 28 LEU HA H 28 3.147 2.881 0.266 1 1 240 . 3 1 1 A 28 28 LEU CB C 28 40.313 41.758 -1.445 1 1 253 . 3 1 1 A 28 28 LEU C C 28 177.394 178.705 -1.311 1 1 254 . 3 1 1 A 29 29 ILE N N 29 119.714 119.425 0.289 1 1 255 . 3 1 1 A 29 29 ILE H H 29 8.148 7.739 0.409 1 1 256 . 3 1 1 A 29 29 ILE CA C 29 64.564 64.101 0.463 1 1 257 . 3 1 1 A 29 29 ILE HA H 29 3.692 3.639 0.053 1 1 258 . 3 1 1 A 29 29 ILE CB C 29 37.503 36.726 0.777 1 1 271 . 3 1 1 A 29 29 ILE C C 29 179.034 178.191 0.843 1 1 272 . 3 1 1 A 30 30 LYS N N 30 118.869 120.484 -1.615 1 1 273 . 3 1 1 A 30 30 LYS H H 30 7.539 8.500 -0.961 1 1 274 . 3 1 1 A 30 30 LYS CA C 30 59.707 58.743 0.964 1 1 275 . 3 1 1 A 30 30 LYS HA H 30 3.917 4.085 -0.168 1 1 276 . 3 1 1 A 30 30 LYS CB C 30 32.807 31.722 1.085 1 1 288 . 3 1 1 A 30 30 LYS C C 30 179.031 178.647 0.384 1 1 289 . 3 1 1 A 31 31 HIS N N 31 118.737 119.340 -0.603 1 1 290 . 3 1 1 A 31 31 HIS H H 31 7.554 7.690 -0.136 1 1 291 . 3 1 1 A 31 31 HIS CA C 31 59.020 59.223 -0.203 1 1 292 . 3 1 1 A 31 31 HIS HA H 31 4.175 4.221 -0.046 1 1 293 . 3 1 1 A 31 31 HIS CB C 31 28.480 29.934 -1.454 1 1 300 . 3 1 1 A 31 31 HIS C C 31 176.197 177.557 -1.360 1 1 301 . 3 1 1 A 32 32 GLN N N 32 115.420 118.214 -2.794 1 1 302 . 3 1 1 A 32 32 GLN H H 32 8.379 7.993 0.386 1 1 303 . 3 1 1 A 32 32 GLN CA C 32 59.377 58.411 0.966 1 1 304 . 3 1 1 A 32 32 GLN HA H 32 3.642 3.904 -0.262 1 1 305 . 3 1 1 A 32 32 GLN CB C 32 28.253 28.299 -0.046 1 1 314 . 3 1 1 A 32 32 GLN C C 32 177.510 178.474 -0.964 1 1 315 . 3 1 1 A 33 33 LYS N N 33 117.483 119.335 -1.852 1 1 316 . 3 1 1 A 33 33 LYS H H 33 7.088 7.809 -0.721 1 1 317 . 3 1 1 A 33 33 LYS CA C 33 58.393 58.985 -0.592 1 1 318 . 3 1 1 A 33 33 LYS HA H 33 4.094 4.000 0.094 1 1 319 . 3 1 1 A 33 33 LYS CB C 33 32.312 31.899 0.413 1 1 331 . 3 1 1 A 33 33 LYS C C 33 178.685 179.390 -0.705 1 1 332 . 3 1 1 A 34 34 ILE N N 34 116.168 117.075 -0.907 1 1 333 . 3 1 1 A 34 34 ILE H H 34 7.815 7.510 0.305 1 1 334 . 3 1 1 A 34 34 ILE CA C 34 63.019 64.093 -1.074 1 1 335 . 3 1 1 A 34 34 ILE HA H 34 3.979 3.700 0.279 1 1 336 . 3 1 1 A 34 34 ILE CB C 34 37.697 37.066 0.631 1 1 349 . 3 1 1 A 34 34 ILE C C 34 177.346 177.133 0.213 1 1 350 . 3 1 1 A 35 35 HIS N N 35 117.330 119.955 -2.625 1 1 351 . 3 1 1 A 35 35 HIS H H 35 7.193 7.337 -0.144 1 1 352 . 3 1 1 A 35 35 HIS CA C 35 54.932 58.401 -3.469 1 1 353 . 3 1 1 A 35 35 HIS HA H 35 4.916 4.485 0.431 1 1 354 . 3 1 1 A 35 35 HIS CB C 35 28.387 30.835 -2.448 1 1 361 . 3 1 1 A 35 35 HIS C C 35 175.585 175.239 0.346 1 1 362 . 3 1 1 A 36 36 THR N N 36 112.446 112.428 0.018 1 1 363 . 3 1 1 A 36 36 THR H H 36 7.752 7.594 0.158 1 1 364 . 3 1 1 A 36 36 THR CA C 36 62.671 60.987 1.684 1 1 365 . 3 1 1 A 36 36 THR HA H 36 4.329 4.488 -0.159 1 1 366 . 3 1 1 A 36 36 THR CB C 36 69.763 69.671 0.092 1 1 372 . 3 1 1 A 36 36 THR C C 36 175.346 174.953 0.393 1 1 373 . 3 1 1 A 37 37 GLY N N 37 110.884 110.339 0.545 1 1 374 . 3 1 1 A 37 37 GLY H H 37 8.312 7.543 0.769 1 1 375 . 3 1 1 A 37 37 GLY CA C 37 45.315 45.986 -0.671 1 1 376 . 3 1 1 A 37 37 GLY HA2 H 37 3.987 3.987 0.000 1 1 377 . 3 1 1 A 37 37 GLY HA3 H 37 3.987 4.002 -0.015 1 1 378 . 3 1 1 A 37 37 GLY C C 37 174.024 173.257 0.767 1 1 379 . 3 1 1 A 38 38 GLU N N 38 120.586 119.842 0.744 1 1 380 . 3 1 1 A 38 38 GLU H H 38 8.084 8.209 -0.125 1 1 381 . 3 1 1 A 38 38 GLU CA C 38 56.427 54.954 1.473 1 1 382 . 3 1 1 A 38 38 GLU HA H 38 4.248 4.601 -0.353 1 1 383 . 3 1 1 A 38 38 GLU CB C 38 30.573 31.237 -0.664 1 1 389 . 3 1 1 A 38 38 GLU C C 38 176.226 175.342 0.884 1 1 390 . 3 1 1 A 39 39 LYS N N 39 123.823 126.089 -2.266 1 1 391 . 3 1 1 A 39 39 LYS H H 39 8.425 8.470 -0.045 1 1 392 . 3 1 1 A 39 39 LYS CA C 39 54.118 55.461 -1.343 1 1 393 . 3 1 1 A 39 39 LYS HA H 39 4.604 4.245 0.359 1 1 394 . 3 1 1 A 39 39 LYS CB C 39 32.536 32.492 0.044 1 1 406 . 3 1 1 A 39 39 LYS C C 39 174.461 175.992 -1.531 1 1 407 . 3 1 1 A 40 40 PRO CA C 40 63.231 62.804 0.427 1 1 408 . 3 1 1 A 40 40 PRO HA H 40 4.460 4.656 -0.196 1 1 409 . 3 1 1 A 40 40 PRO CB C 40 32.200 31.771 0.429 1 1 418 . 3 1 1 A 40 40 PRO C C 40 176.951 176.127 0.824 1 1 419 . 3 1 1 A 41 41 SER N N 41 116.497 120.378 -3.881 1 1 420 . 3 1 1 A 41 41 SER H H 41 8.475 8.714 -0.239 1 1 421 . 3 1 1 A 41 41 SER CA C 41 58.375 57.594 0.781 1 1 422 . 3 1 1 A 41 41 SER HA H 41 4.491 4.849 -0.358 1 1 423 . 3 1 1 A 41 41 SER CB C 41 63.953 64.761 -0.808 1 1 425 . 3 1 1 A 41 41 SER C C 41 174.588 174.983 -0.395 1 1 426 . 3 1 1 A 42 42 GLY CA C 42 44.665 46.981 -2.316 1 1 427 . 3 1 1 A 42 42 GLY HA2 H 42 4.111 3.816 0.295 1 1 428 . 3 1 1 A 42 42 GLY HA3 H 42 4.153 3.819 0.334 1 1 429 . 3 1 1 A 43 43 PRO CA C 43 63.238 62.839 0.399 1 1 430 . 3 1 1 A 43 43 PRO HA H 43 4.467 4.736 -0.269 1 1 431 . 3 1 1 A 43 43 PRO CB C 43 32.174 32.903 -0.729 1 1 440 . 3 1 1 A 45 45 SER CA C 45 58.360 59.425 -1.065 1 1 441 . 3 1 1 A 45 45 SER HA H 45 4.482 4.072 0.410 1 1 442 . 3 1 1 A 45 45 SER CB C 45 64.038 61.584 2.454 1 1 445 . 3 1 1 A 45 45 SER C C 45 173.890 173.813 0.077 1 1 1 . 4 1 1 A 7 7 GLY CA C 7 45.428 47.137 -1.709 1 1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.031 3.825 0.206 1 1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.031 3.827 0.204 1 1 4 . 4 1 1 A 7 7 GLY C C 7 174.504 174.893 -0.389 1 1 5 . 4 1 1 A 8 8 THR N N 8 112.847 113.050 -0.203 1 1 6 . 4 1 1 A 8 8 THR H H 8 8.154 8.257 -0.103 1 1 7 . 4 1 1 A 8 8 THR CA C 8 61.882 62.944 -1.062 1 1 8 . 4 1 1 A 8 8 THR HA H 8 4.361 3.939 0.422 1 1 9 . 4 1 1 A 8 8 THR CB C 8 69.841 67.023 2.818 1 1 15 . 4 1 1 A 8 8 THR C C 8 175.257 174.609 0.648 1 1 16 . 4 1 1 A 9 9 GLY N N 9 110.940 106.563 4.377 1 1 17 . 4 1 1 A 9 9 GLY H H 9 8.452 8.563 -0.111 1 1 18 . 4 1 1 A 9 9 GLY CA C 9 45.278 44.681 0.597 1 1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.920 4.042 -0.122 1 1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.920 4.044 -0.124 1 1 21 . 4 1 1 A 9 9 GLY C C 9 174.062 173.167 0.895 1 1 22 . 4 1 1 A 10 10 GLU N N 10 120.294 121.314 -1.020 1 1 23 . 4 1 1 A 10 10 GLU H H 10 8.237 8.479 -0.242 1 1 24 . 4 1 1 A 10 10 GLU CA C 10 56.821 55.569 1.252 1 1 25 . 4 1 1 A 10 10 GLU HA H 10 4.205 5.054 -0.849 1 1 26 . 4 1 1 A 10 10 GLU CB C 10 30.426 31.045 -0.619 1 1 32 . 4 1 1 A 10 10 GLU C C 10 176.322 175.663 0.659 1 1 33 . 4 1 1 A 11 11 ARG N N 11 121.374 123.221 -1.847 1 1 34 . 4 1 1 A 11 11 ARG H H 11 8.295 8.851 -0.556 1 1 35 . 4 1 1 A 11 11 ARG CA C 11 53.547 52.981 0.566 1 1 36 . 4 1 1 A 11 11 ARG HA H 11 4.539 4.736 -0.197 1 1 37 . 4 1 1 A 11 11 ARG CB C 11 30.672 30.989 -0.317 1 1 45 . 4 1 1 A 11 11 ARG C C 11 173.550 176.006 -2.456 1 1 46 . 4 1 1 A 12 12 PRO CA C 12 63.252 65.004 -1.752 1 1 47 . 4 1 1 A 12 12 PRO HA H 12 4.335 4.271 0.064 1 1 48 . 4 1 1 A 12 12 PRO CB C 12 32.315 31.495 0.820 1 1 57 . 4 1 1 A 12 12 PRO C C 12 176.312 175.874 0.438 1 1 58 . 4 1 1 A 13 13 TYR N N 13 119.535 117.745 1.790 1 1 59 . 4 1 1 A 13 13 TYR H H 13 8.022 7.763 0.259 1 1 60 . 4 1 1 A 13 13 TYR CA C 13 57.666 57.625 0.041 1 1 61 . 4 1 1 A 13 13 TYR HA H 13 4.597 4.985 -0.388 1 1 62 . 4 1 1 A 13 13 TYR CB C 13 38.476 40.361 -1.885 1 1 73 . 4 1 1 A 13 13 TYR C C 13 174.475 175.736 -1.261 1 1 74 . 4 1 1 A 14 14 ILE N N 14 124.578 122.389 2.189 1 1 75 . 4 1 1 A 14 14 ILE H H 14 8.338 8.794 -0.456 1 1 76 . 4 1 1 A 14 14 ILE CA C 14 59.714 60.227 -0.513 1 1 77 . 4 1 1 A 14 14 ILE HA H 14 4.675 4.893 -0.218 1 1 78 . 4 1 1 A 14 14 ILE CB C 14 40.638 41.293 -0.655 1 1 91 . 4 1 1 A 14 14 ILE C C 14 175.750 175.612 0.138 1 1 92 . 4 1 1 A 15 15 CYS N N 15 128.935 127.525 1.410 1 1 93 . 4 1 1 A 15 15 CYS H H 15 9.278 9.448 -0.170 1 1 94 . 4 1 1 A 15 15 CYS CA C 15 59.752 60.023 -0.271 1 1 95 . 4 1 1 A 15 15 CYS HA H 15 4.624 4.564 0.060 1 1 96 . 4 1 1 A 15 15 CYS CB C 15 29.428 28.908 0.520 1 1 99 . 4 1 1 A 15 15 CYS C C 15 177.330 176.590 0.740 1 1 100 . 4 1 1 A 16 16 THR N N 16 124.216 118.641 5.575 1 1 101 . 4 1 1 A 16 16 THR H H 16 8.902 8.749 0.153 1 1 102 . 4 1 1 A 16 16 THR CA C 16 64.298 61.583 2.715 1 1 103 . 4 1 1 A 16 16 THR HA H 16 4.130 4.482 -0.352 1 1 104 . 4 1 1 A 16 16 THR CB C 16 68.664 68.696 -0.032 1 1 110 . 4 1 1 A 16 16 THR C C 16 174.750 173.781 0.969 1 1 111 . 4 1 1 A 17 17 VAL N N 17 123.592 119.475 4.117 1 1 112 . 4 1 1 A 17 17 VAL H H 17 8.618 7.989 0.629 1 1 113 . 4 1 1 A 17 17 VAL CA C 17 65.222 63.578 1.644 1 1 114 . 4 1 1 A 17 17 VAL HA H 17 3.795 4.165 -0.370 1 1 115 . 4 1 1 A 17 17 VAL CB C 17 32.714 33.800 -1.086 1 1 125 . 4 1 1 A 17 17 VAL C C 17 177.090 177.239 -0.149 1 1 126 . 4 1 1 A 18 18 CYS N N 18 115.099 115.365 -0.266 1 1 127 . 4 1 1 A 18 18 CYS H H 18 7.957 8.040 -0.083 1 1 128 . 4 1 1 A 18 18 CYS CA C 18 58.176 59.310 -1.134 1 1 129 . 4 1 1 A 18 18 CYS HA H 18 5.159 4.622 0.537 1 1 130 . 4 1 1 A 18 18 CYS CB C 18 32.806 30.135 2.671 1 1 133 . 4 1 1 A 18 18 CYS C C 18 176.462 175.346 1.116 1 1 134 . 4 1 1 A 19 19 GLY N N 19 113.815 110.062 3.753 1 1 135 . 4 1 1 A 19 19 GLY H H 19 8.183 8.057 0.126 1 1 136 . 4 1 1 A 19 19 GLY CA C 19 46.160 45.234 0.926 1 1 137 . 4 1 1 A 19 19 GLY HA2 H 19 4.209 4.075 0.134 1 1 138 . 4 1 1 A 19 19 GLY HA3 H 19 3.748 4.085 -0.337 1 1 139 . 4 1 1 A 19 19 GLY C C 19 173.546 174.317 -0.771 1 1 140 . 4 1 1 A 20 20 LYS N N 20 123.111 121.161 1.950 1 1 141 . 4 1 1 A 20 20 LYS H H 20 7.986 7.870 0.116 1 1 142 . 4 1 1 A 20 20 LYS CA C 20 58.320 55.110 3.210 1 1 143 . 4 1 1 A 20 20 LYS HA H 20 3.936 4.735 -0.799 1 1 144 . 4 1 1 A 20 20 LYS CB C 20 33.685 34.840 -1.155 1 1 156 . 4 1 1 A 20 20 LYS C C 20 173.419 175.112 -1.693 1 1 157 . 4 1 1 A 21 21 ALA N N 21 124.165 125.886 -1.721 1 1 158 . 4 1 1 A 21 21 ALA H H 21 7.779 8.358 -0.579 1 1 159 . 4 1 1 A 21 21 ALA CA C 21 50.486 50.271 0.215 1 1 160 . 4 1 1 A 21 21 ALA HA H 21 5.105 5.370 -0.265 1 1 161 . 4 1 1 A 21 21 ALA CB C 21 22.458 22.339 0.119 1 1 165 . 4 1 1 A 21 21 ALA C C 21 176.756 175.223 1.533 1 1 166 . 4 1 1 A 22 22 PHE N N 22 118.244 117.577 0.667 1 1 167 . 4 1 1 A 22 22 PHE H H 22 8.986 8.927 0.059 1 1 168 . 4 1 1 A 22 22 PHE CA C 22 57.418 56.975 0.443 1 1 169 . 4 1 1 A 22 22 PHE HA H 22 4.717 4.900 -0.183 1 1 170 . 4 1 1 A 22 22 PHE CB C 22 43.231 42.675 0.556 1 1 183 . 4 1 1 A 22 22 PHE C C 22 175.604 175.906 -0.302 1 1 184 . 4 1 1 A 23 23 THR N N 23 112.986 118.408 -5.422 1 1 185 . 4 1 1 A 23 23 THR H H 23 8.941 8.538 0.403 1 1 186 . 4 1 1 A 23 23 THR CA C 23 63.847 64.685 -0.838 1 1 187 . 4 1 1 A 23 23 THR HA H 23 4.470 4.363 0.107 1 1 188 . 4 1 1 A 23 23 THR CB C 23 69.556 69.497 0.059 1 1 194 . 4 1 1 A 23 23 THR C C 23 174.032 173.745 0.287 1 1 195 . 4 1 1 A 24 24 ASP N N 24 118.330 121.038 -2.708 1 1 196 . 4 1 1 A 24 24 ASP H H 24 7.637 8.021 -0.384 1 1 197 . 4 1 1 A 24 24 ASP CA C 24 52.811 53.033 -0.222 1 1 198 . 4 1 1 A 24 24 ASP HA H 24 4.808 4.863 -0.055 1 1 199 . 4 1 1 A 24 24 ASP CB C 24 43.632 41.623 2.009 1 1 202 . 4 1 1 A 24 24 ASP C C 24 175.092 175.927 -0.835 1 1 203 . 4 1 1 A 25 25 ARG N N 25 124.562 127.023 -2.461 1 1 204 . 4 1 1 A 25 25 ARG H H 25 8.384 8.209 0.175 1 1 205 . 4 1 1 A 25 25 ARG CA C 25 59.227 59.495 -0.268 1 1 206 . 4 1 1 A 25 25 ARG HA H 25 3.139 3.074 0.065 1 1 207 . 4 1 1 A 25 25 ARG CB C 25 29.797 29.532 0.265 1 1 216 . 4 1 1 A 25 25 ARG C C 25 177.768 177.776 -0.008 1 1 217 . 4 1 1 A 26 26 SER N N 26 114.310 113.971 0.339 1 1 218 . 4 1 1 A 26 26 SER H H 26 8.404 7.881 0.523 1 1 219 . 4 1 1 A 26 26 SER CA C 26 61.865 61.642 0.223 1 1 220 . 4 1 1 A 26 26 SER HA H 26 3.981 4.001 -0.020 1 1 221 . 4 1 1 A 26 26 SER CB C 26 62.116 63.036 -0.920 1 1 224 . 4 1 1 A 26 26 SER C C 26 177.339 176.915 0.424 1 1 225 . 4 1 1 A 27 27 ASN N N 27 120.170 119.452 0.718 1 1 226 . 4 1 1 A 27 27 ASN H H 27 8.024 8.001 0.023 1 1 227 . 4 1 1 A 27 27 ASN CA C 27 55.713 56.680 -0.967 1 1 228 . 4 1 1 A 27 27 ASN HA H 27 4.426 4.356 0.070 1 1 229 . 4 1 1 A 27 27 ASN CB C 27 38.343 38.824 -0.481 1 1 235 . 4 1 1 A 27 27 ASN C C 27 177.564 176.871 0.693 1 1 236 . 4 1 1 A 28 28 LEU N N 28 123.285 119.727 3.558 1 1 237 . 4 1 1 A 28 28 LEU H H 28 7.047 7.617 -0.570 1 1 238 . 4 1 1 A 28 28 LEU CA C 28 58.259 57.966 0.293 1 1 239 . 4 1 1 A 28 28 LEU HA H 28 3.147 2.914 0.233 1 1 240 . 4 1 1 A 28 28 LEU CB C 28 40.313 41.351 -1.038 1 1 253 . 4 1 1 A 28 28 LEU C C 28 177.394 178.395 -1.001 1 1 254 . 4 1 1 A 29 29 ILE N N 29 119.714 120.014 -0.300 1 1 255 . 4 1 1 A 29 29 ILE H H 29 8.148 7.911 0.237 1 1 256 . 4 1 1 A 29 29 ILE CA C 29 64.564 65.635 -1.071 1 1 257 . 4 1 1 A 29 29 ILE HA H 29 3.692 3.427 0.265 1 1 258 . 4 1 1 A 29 29 ILE CB C 29 37.503 37.726 -0.223 1 1 271 . 4 1 1 A 29 29 ILE C C 29 179.034 178.210 0.824 1 1 272 . 4 1 1 A 30 30 LYS N N 30 118.869 121.122 -2.253 1 1 273 . 4 1 1 A 30 30 LYS H H 30 7.539 7.906 -0.367 1 1 274 . 4 1 1 A 30 30 LYS CA C 30 59.707 58.848 0.859 1 1 275 . 4 1 1 A 30 30 LYS HA H 30 3.917 3.917 0.000 1 1 276 . 4 1 1 A 30 30 LYS CB C 30 32.807 31.831 0.976 1 1 288 . 4 1 1 A 30 30 LYS C C 30 179.031 179.014 0.017 1 1 289 . 4 1 1 A 31 31 HIS N N 31 118.737 119.336 -0.599 1 1 290 . 4 1 1 A 31 31 HIS H H 31 7.554 8.321 -0.767 1 1 291 . 4 1 1 A 31 31 HIS CA C 31 59.020 59.654 -0.634 1 1 292 . 4 1 1 A 31 31 HIS HA H 31 4.175 4.105 0.070 1 1 293 . 4 1 1 A 31 31 HIS CB C 31 28.480 29.460 -0.980 1 1 300 . 4 1 1 A 31 31 HIS C C 31 176.197 177.177 -0.980 1 1 301 . 4 1 1 A 32 32 GLN N N 32 115.420 117.392 -1.972 1 1 302 . 4 1 1 A 32 32 GLN H H 32 8.379 8.486 -0.107 1 1 303 . 4 1 1 A 32 32 GLN CA C 32 59.377 58.838 0.539 1 1 304 . 4 1 1 A 32 32 GLN HA H 32 3.642 3.744 -0.102 1 1 305 . 4 1 1 A 32 32 GLN CB C 32 28.253 28.258 -0.005 1 1 314 . 4 1 1 A 32 32 GLN C C 32 177.510 178.505 -0.995 1 1 315 . 4 1 1 A 33 33 LYS N N 33 117.483 119.456 -1.973 1 1 316 . 4 1 1 A 33 33 LYS H H 33 7.088 7.815 -0.727 1 1 317 . 4 1 1 A 33 33 LYS CA C 33 58.393 58.721 -0.328 1 1 318 . 4 1 1 A 33 33 LYS HA H 33 4.094 3.986 0.108 1 1 319 . 4 1 1 A 33 33 LYS CB C 33 32.312 32.504 -0.192 1 1 331 . 4 1 1 A 33 33 LYS C C 33 178.685 179.264 -0.579 1 1 332 . 4 1 1 A 34 34 ILE N N 34 116.168 116.955 -0.787 1 1 333 . 4 1 1 A 34 34 ILE H H 34 7.815 7.750 0.065 1 1 334 . 4 1 1 A 34 34 ILE CA C 34 63.019 64.119 -1.100 1 1 335 . 4 1 1 A 34 34 ILE HA H 34 3.979 3.688 0.291 1 1 336 . 4 1 1 A 34 34 ILE CB C 34 37.697 37.078 0.619 1 1 349 . 4 1 1 A 34 34 ILE C C 34 177.346 177.271 0.075 1 1 350 . 4 1 1 A 35 35 HIS N N 35 117.330 119.583 -2.253 1 1 351 . 4 1 1 A 35 35 HIS H H 35 7.193 7.697 -0.504 1 1 352 . 4 1 1 A 35 35 HIS CA C 35 54.932 58.687 -3.755 1 1 353 . 4 1 1 A 35 35 HIS HA H 35 4.916 4.406 0.510 1 1 354 . 4 1 1 A 35 35 HIS CB C 35 28.387 30.909 -2.522 1 1 361 . 4 1 1 A 35 35 HIS C C 35 175.585 175.708 -0.123 1 1 362 . 4 1 1 A 36 36 THR N N 36 112.446 113.093 -0.647 1 1 363 . 4 1 1 A 36 36 THR H H 36 7.752 7.736 0.016 1 1 364 . 4 1 1 A 36 36 THR CA C 36 62.671 60.873 1.798 1 1 365 . 4 1 1 A 36 36 THR HA H 36 4.329 4.442 -0.113 1 1 366 . 4 1 1 A 36 36 THR CB C 36 69.763 69.229 0.534 1 1 372 . 4 1 1 A 36 36 THR C C 36 175.346 174.553 0.793 1 1 373 . 4 1 1 A 37 37 GLY N N 37 110.884 112.416 -1.532 1 1 374 . 4 1 1 A 37 37 GLY H H 37 8.312 8.195 0.117 1 1 375 . 4 1 1 A 37 37 GLY CA C 37 45.315 45.506 -0.191 1 1 376 . 4 1 1 A 37 37 GLY HA2 H 37 3.987 3.994 -0.007 1 1 377 . 4 1 1 A 37 37 GLY HA3 H 37 3.987 4.004 -0.017 1 1 378 . 4 1 1 A 37 37 GLY C C 37 174.024 174.340 -0.316 1 1 379 . 4 1 1 A 38 38 GLU N N 38 120.586 121.182 -0.596 1 1 380 . 4 1 1 A 38 38 GLU H H 38 8.084 7.951 0.133 1 1 381 . 4 1 1 A 38 38 GLU CA C 38 56.427 54.748 1.679 1 1 382 . 4 1 1 A 38 38 GLU HA H 38 4.248 4.668 -0.420 1 1 383 . 4 1 1 A 38 38 GLU CB C 38 30.573 32.120 -1.547 1 1 389 . 4 1 1 A 38 38 GLU C C 38 176.226 175.704 0.522 1 1 390 . 4 1 1 A 39 39 LYS N N 39 123.823 124.078 -0.255 1 1 391 . 4 1 1 A 39 39 LYS H H 39 8.425 8.615 -0.190 1 1 392 . 4 1 1 A 39 39 LYS CA C 39 54.118 54.291 -0.173 1 1 393 . 4 1 1 A 39 39 LYS HA H 39 4.604 4.864 -0.260 1 1 394 . 4 1 1 A 39 39 LYS CB C 39 32.536 33.078 -0.542 1 1 406 . 4 1 1 A 39 39 LYS C C 39 174.461 175.869 -1.408 1 1 407 . 4 1 1 A 40 40 PRO CA C 40 63.231 62.276 0.955 1 1 408 . 4 1 1 A 40 40 PRO HA H 40 4.460 4.648 -0.188 1 1 409 . 4 1 1 A 40 40 PRO CB C 40 32.200 33.270 -1.070 1 1 418 . 4 1 1 A 40 40 PRO C C 40 176.951 175.671 1.280 1 1 419 . 4 1 1 A 41 41 SER N N 41 116.497 116.320 0.177 1 1 420 . 4 1 1 A 41 41 SER H H 41 8.475 8.561 -0.086 1 1 421 . 4 1 1 A 41 41 SER CA C 41 58.375 56.879 1.496 1 1 422 . 4 1 1 A 41 41 SER HA H 41 4.491 4.756 -0.265 1 1 423 . 4 1 1 A 41 41 SER CB C 41 63.953 64.094 -0.141 1 1 425 . 4 1 1 A 41 41 SER C C 41 174.588 174.610 -0.022 1 1 426 . 4 1 1 A 42 42 GLY CA C 42 44.665 45.454 -0.789 1 1 427 . 4 1 1 A 42 42 GLY HA2 H 42 4.111 3.961 0.150 1 1 428 . 4 1 1 A 42 42 GLY HA3 H 42 4.153 3.962 0.191 1 1 429 . 4 1 1 A 43 43 PRO CA C 43 63.238 63.571 -0.333 1 1 430 . 4 1 1 A 43 43 PRO HA H 43 4.467 4.509 -0.042 1 1 431 . 4 1 1 A 43 43 PRO CB C 43 32.174 32.022 0.152 1 1 440 . 4 1 1 A 45 45 SER CA C 45 58.360 56.654 1.706 1 1 441 . 4 1 1 A 45 45 SER HA H 45 4.482 5.210 -0.728 1 1 442 . 4 1 1 A 45 45 SER CB C 45 64.038 65.026 -0.988 1 1 445 . 4 1 1 A 45 45 SER C C 45 173.890 174.637 -0.747 1 1 1 . 5 1 1 A 7 7 GLY CA C 7 45.428 45.077 0.351 1 1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.031 4.162 -0.131 1 1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.031 4.165 -0.134 1 1 4 . 5 1 1 A 7 7 GLY C C 7 174.504 172.351 2.153 1 1 5 . 5 1 1 A 8 8 THR N N 8 112.847 120.499 -7.652 1 1 6 . 5 1 1 A 8 8 THR H H 8 8.154 8.969 -0.815 1 1 7 . 5 1 1 A 8 8 THR CA C 8 61.882 60.508 1.374 1 1 8 . 5 1 1 A 8 8 THR HA H 8 4.361 5.096 -0.735 1 1 9 . 5 1 1 A 8 8 THR CB C 8 69.841 70.818 -0.977 1 1 15 . 5 1 1 A 8 8 THR C C 8 175.257 174.222 1.035 1 1 16 . 5 1 1 A 9 9 GLY N N 9 110.940 112.113 -1.173 1 1 17 . 5 1 1 A 9 9 GLY H H 9 8.452 8.330 0.122 1 1 18 . 5 1 1 A 9 9 GLY CA C 9 45.278 45.906 -0.628 1 1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.920 4.126 -0.206 1 1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.920 4.127 -0.207 1 1 21 . 5 1 1 A 9 9 GLY C C 9 174.062 171.343 2.719 1 1 22 . 5 1 1 A 10 10 GLU N N 10 120.294 120.195 0.099 1 1 23 . 5 1 1 A 10 10 GLU H H 10 8.237 8.581 -0.344 1 1 24 . 5 1 1 A 10 10 GLU CA C 10 56.821 55.111 1.710 1 1 25 . 5 1 1 A 10 10 GLU HA H 10 4.205 4.855 -0.650 1 1 26 . 5 1 1 A 10 10 GLU CB C 10 30.426 30.575 -0.149 1 1 32 . 5 1 1 A 10 10 GLU C C 10 176.322 175.829 0.493 1 1 33 . 5 1 1 A 11 11 ARG N N 11 121.374 125.147 -3.773 1 1 34 . 5 1 1 A 11 11 ARG H H 11 8.295 8.641 -0.346 1 1 35 . 5 1 1 A 11 11 ARG CA C 11 53.547 54.968 -1.421 1 1 36 . 5 1 1 A 11 11 ARG HA H 11 4.539 4.260 0.279 1 1 37 . 5 1 1 A 11 11 ARG CB C 11 30.672 30.175 0.497 1 1 45 . 5 1 1 A 11 11 ARG C C 11 173.550 176.435 -2.885 1 1 46 . 5 1 1 A 12 12 PRO CA C 12 63.252 64.466 -1.214 1 1 47 . 5 1 1 A 12 12 PRO HA H 12 4.335 4.261 0.074 1 1 48 . 5 1 1 A 12 12 PRO CB C 12 32.315 31.593 0.722 1 1 57 . 5 1 1 A 12 12 PRO C C 12 176.312 175.698 0.614 1 1 58 . 5 1 1 A 13 13 TYR N N 13 119.535 117.492 2.043 1 1 59 . 5 1 1 A 13 13 TYR H H 13 8.022 7.339 0.683 1 1 60 . 5 1 1 A 13 13 TYR CA C 13 57.666 56.540 1.126 1 1 61 . 5 1 1 A 13 13 TYR HA H 13 4.597 5.361 -0.764 1 1 62 . 5 1 1 A 13 13 TYR CB C 13 38.476 42.222 -3.746 1 1 73 . 5 1 1 A 13 13 TYR C C 13 174.475 174.918 -0.443 1 1 74 . 5 1 1 A 14 14 ILE N N 14 124.578 121.933 2.645 1 1 75 . 5 1 1 A 14 14 ILE H H 14 8.338 8.896 -0.558 1 1 76 . 5 1 1 A 14 14 ILE CA C 14 59.714 60.304 -0.590 1 1 77 . 5 1 1 A 14 14 ILE HA H 14 4.675 4.793 -0.118 1 1 78 . 5 1 1 A 14 14 ILE CB C 14 40.638 41.425 -0.787 1 1 91 . 5 1 1 A 14 14 ILE C C 14 175.750 175.192 0.558 1 1 92 . 5 1 1 A 15 15 CYS N N 15 128.935 127.481 1.454 1 1 93 . 5 1 1 A 15 15 CYS H H 15 9.278 9.306 -0.028 1 1 94 . 5 1 1 A 15 15 CYS CA C 15 59.752 60.448 -0.696 1 1 95 . 5 1 1 A 15 15 CYS HA H 15 4.624 4.392 0.232 1 1 96 . 5 1 1 A 15 15 CYS CB C 15 29.428 28.628 0.800 1 1 99 . 5 1 1 A 15 15 CYS C C 15 177.330 176.476 0.854 1 1 100 . 5 1 1 A 16 16 THR N N 16 124.216 117.538 6.678 1 1 101 . 5 1 1 A 16 16 THR H H 16 8.902 8.627 0.275 1 1 102 . 5 1 1 A 16 16 THR CA C 16 64.298 61.108 3.190 1 1 103 . 5 1 1 A 16 16 THR HA H 16 4.130 4.622 -0.492 1 1 104 . 5 1 1 A 16 16 THR CB C 16 68.664 68.490 0.174 1 1 110 . 5 1 1 A 16 16 THR C C 16 174.750 174.207 0.543 1 1 111 . 5 1 1 A 17 17 VAL N N 17 123.592 119.426 4.166 1 1 112 . 5 1 1 A 17 17 VAL H H 17 8.618 7.944 0.674 1 1 113 . 5 1 1 A 17 17 VAL CA C 17 65.222 63.572 1.650 1 1 114 . 5 1 1 A 17 17 VAL HA H 17 3.795 4.159 -0.364 1 1 115 . 5 1 1 A 17 17 VAL CB C 17 32.714 33.667 -0.953 1 1 125 . 5 1 1 A 17 17 VAL C C 17 177.090 177.267 -0.177 1 1 126 . 5 1 1 A 18 18 CYS N N 18 115.099 115.237 -0.138 1 1 127 . 5 1 1 A 18 18 CYS H H 18 7.957 8.049 -0.092 1 1 128 . 5 1 1 A 18 18 CYS CA C 18 58.176 59.403 -1.227 1 1 129 . 5 1 1 A 18 18 CYS HA H 18 5.159 4.652 0.507 1 1 130 . 5 1 1 A 18 18 CYS CB C 18 32.806 29.967 2.839 1 1 133 . 5 1 1 A 18 18 CYS C C 18 176.462 175.459 1.003 1 1 134 . 5 1 1 A 19 19 GLY N N 19 113.815 110.086 3.729 1 1 135 . 5 1 1 A 19 19 GLY H H 19 8.183 8.290 -0.107 1 1 136 . 5 1 1 A 19 19 GLY CA C 19 46.160 45.614 0.546 1 1 137 . 5 1 1 A 19 19 GLY HA2 H 19 4.209 4.063 0.146 1 1 138 . 5 1 1 A 19 19 GLY HA3 H 19 3.748 4.072 -0.324 1 1 139 . 5 1 1 A 19 19 GLY C C 19 173.546 174.140 -0.594 1 1 140 . 5 1 1 A 20 20 LYS N N 20 123.111 120.560 2.551 1 1 141 . 5 1 1 A 20 20 LYS H H 20 7.986 7.733 0.253 1 1 142 . 5 1 1 A 20 20 LYS CA C 20 58.320 54.699 3.621 1 1 143 . 5 1 1 A 20 20 LYS HA H 20 3.936 4.672 -0.736 1 1 144 . 5 1 1 A 20 20 LYS CB C 20 33.685 35.248 -1.563 1 1 156 . 5 1 1 A 20 20 LYS C C 20 173.419 174.718 -1.299 1 1 157 . 5 1 1 A 21 21 ALA N N 21 124.165 127.243 -3.078 1 1 158 . 5 1 1 A 21 21 ALA H H 21 7.779 8.680 -0.901 1 1 159 . 5 1 1 A 21 21 ALA CA C 21 50.486 49.888 0.598 1 1 160 . 5 1 1 A 21 21 ALA HA H 21 5.105 5.612 -0.507 1 1 161 . 5 1 1 A 21 21 ALA CB C 21 22.458 22.362 0.096 1 1 165 . 5 1 1 A 21 21 ALA C C 21 176.756 175.763 0.993 1 1 166 . 5 1 1 A 22 22 PHE N N 22 118.244 119.746 -1.502 1 1 167 . 5 1 1 A 22 22 PHE H H 22 8.986 8.758 0.228 1 1 168 . 5 1 1 A 22 22 PHE CA C 22 57.418 56.902 0.516 1 1 169 . 5 1 1 A 22 22 PHE HA H 22 4.717 4.912 -0.195 1 1 170 . 5 1 1 A 22 22 PHE CB C 22 43.231 41.792 1.439 1 1 183 . 5 1 1 A 22 22 PHE C C 22 175.604 176.033 -0.429 1 1 184 . 5 1 1 A 23 23 THR N N 23 112.986 116.916 -3.930 1 1 185 . 5 1 1 A 23 23 THR H H 23 8.941 8.837 0.104 1 1 186 . 5 1 1 A 23 23 THR CA C 23 63.847 65.804 -1.957 1 1 187 . 5 1 1 A 23 23 THR HA H 23 4.470 4.146 0.324 1 1 188 . 5 1 1 A 23 23 THR CB C 23 69.556 68.673 0.883 1 1 194 . 5 1 1 A 23 23 THR C C 23 174.032 174.875 -0.843 1 1 195 . 5 1 1 A 24 24 ASP N N 24 118.330 121.288 -2.958 1 1 196 . 5 1 1 A 24 24 ASP H H 24 7.637 8.065 -0.428 1 1 197 . 5 1 1 A 24 24 ASP CA C 24 52.811 54.083 -1.272 1 1 198 . 5 1 1 A 24 24 ASP HA H 24 4.808 4.986 -0.178 1 1 199 . 5 1 1 A 24 24 ASP CB C 24 43.632 41.547 2.085 1 1 202 . 5 1 1 A 24 24 ASP C C 24 175.092 176.419 -1.327 1 1 203 . 5 1 1 A 25 25 ARG N N 25 124.562 126.745 -2.183 1 1 204 . 5 1 1 A 25 25 ARG H H 25 8.384 8.714 -0.330 1 1 205 . 5 1 1 A 25 25 ARG CA C 25 59.227 59.660 -0.433 1 1 206 . 5 1 1 A 25 25 ARG HA H 25 3.139 3.236 -0.097 1 1 207 . 5 1 1 A 25 25 ARG CB C 25 29.797 29.624 0.173 1 1 216 . 5 1 1 A 25 25 ARG C C 25 177.768 178.109 -0.341 1 1 217 . 5 1 1 A 26 26 SER N N 26 114.310 115.417 -1.107 1 1 218 . 5 1 1 A 26 26 SER H H 26 8.404 8.136 0.268 1 1 219 . 5 1 1 A 26 26 SER CA C 26 61.865 62.072 -0.207 1 1 220 . 5 1 1 A 26 26 SER HA H 26 3.981 4.062 -0.081 1 1 221 . 5 1 1 A 26 26 SER CB C 26 62.116 62.539 -0.423 1 1 224 . 5 1 1 A 26 26 SER C C 26 177.339 176.724 0.615 1 1 225 . 5 1 1 A 27 27 ASN N N 27 120.170 120.204 -0.034 1 1 226 . 5 1 1 A 27 27 ASN H H 27 8.024 8.021 0.003 1 1 227 . 5 1 1 A 27 27 ASN CA C 27 55.713 56.342 -0.629 1 1 228 . 5 1 1 A 27 27 ASN HA H 27 4.426 4.302 0.124 1 1 229 . 5 1 1 A 27 27 ASN CB C 27 38.343 38.041 0.302 1 1 235 . 5 1 1 A 27 27 ASN C C 27 177.564 177.622 -0.058 1 1 236 . 5 1 1 A 28 28 LEU N N 28 123.285 120.937 2.348 1 1 237 . 5 1 1 A 28 28 LEU H H 28 7.047 7.952 -0.905 1 1 238 . 5 1 1 A 28 28 LEU CA C 28 58.259 58.041 0.218 1 1 239 . 5 1 1 A 28 28 LEU HA H 28 3.147 2.967 0.180 1 1 240 . 5 1 1 A 28 28 LEU CB C 28 40.313 41.478 -1.165 1 1 253 . 5 1 1 A 28 28 LEU C C 28 177.394 178.210 -0.816 1 1 254 . 5 1 1 A 29 29 ILE N N 29 119.714 120.013 -0.299 1 1 255 . 5 1 1 A 29 29 ILE H H 29 8.148 7.778 0.370 1 1 256 . 5 1 1 A 29 29 ILE CA C 29 64.564 65.628 -1.064 1 1 257 . 5 1 1 A 29 29 ILE HA H 29 3.692 3.432 0.260 1 1 258 . 5 1 1 A 29 29 ILE CB C 29 37.503 37.724 -0.221 1 1 271 . 5 1 1 A 29 29 ILE C C 29 179.034 178.153 0.881 1 1 272 . 5 1 1 A 30 30 LYS N N 30 118.869 121.228 -2.359 1 1 273 . 5 1 1 A 30 30 LYS H H 30 7.539 7.942 -0.403 1 1 274 . 5 1 1 A 30 30 LYS CA C 30 59.707 58.821 0.886 1 1 275 . 5 1 1 A 30 30 LYS HA H 30 3.917 3.961 -0.044 1 1 276 . 5 1 1 A 30 30 LYS CB C 30 32.807 31.804 1.003 1 1 288 . 5 1 1 A 30 30 LYS C C 30 179.031 179.068 -0.037 1 1 289 . 5 1 1 A 31 31 HIS N N 31 118.737 119.444 -0.707 1 1 290 . 5 1 1 A 31 31 HIS H H 31 7.554 8.214 -0.660 1 1 291 . 5 1 1 A 31 31 HIS CA C 31 59.020 59.746 -0.726 1 1 292 . 5 1 1 A 31 31 HIS HA H 31 4.175 4.139 0.036 1 1 293 . 5 1 1 A 31 31 HIS CB C 31 28.480 29.485 -1.005 1 1 300 . 5 1 1 A 31 31 HIS C C 31 176.197 177.502 -1.305 1 1 301 . 5 1 1 A 32 32 GLN N N 32 115.420 118.527 -3.107 1 1 302 . 5 1 1 A 32 32 GLN H H 32 8.379 8.054 0.325 1 1 303 . 5 1 1 A 32 32 GLN CA C 32 59.377 58.781 0.596 1 1 304 . 5 1 1 A 32 32 GLN HA H 32 3.642 3.763 -0.121 1 1 305 . 5 1 1 A 32 32 GLN CB C 32 28.253 28.326 -0.073 1 1 314 . 5 1 1 A 32 32 GLN C C 32 177.510 178.678 -1.168 1 1 315 . 5 1 1 A 33 33 LYS N N 33 117.483 119.239 -1.756 1 1 316 . 5 1 1 A 33 33 LYS H H 33 7.088 7.769 -0.681 1 1 317 . 5 1 1 A 33 33 LYS CA C 33 58.393 58.312 0.081 1 1 318 . 5 1 1 A 33 33 LYS HA H 33 4.094 3.968 0.126 1 1 319 . 5 1 1 A 33 33 LYS CB C 33 32.312 31.956 0.356 1 1 331 . 5 1 1 A 33 33 LYS C C 33 178.685 179.048 -0.363 1 1 332 . 5 1 1 A 34 34 ILE N N 34 116.168 115.559 0.609 1 1 333 . 5 1 1 A 34 34 ILE H H 34 7.815 7.341 0.474 1 1 334 . 5 1 1 A 34 34 ILE CA C 34 63.019 64.054 -1.035 1 1 335 . 5 1 1 A 34 34 ILE HA H 34 3.979 3.731 0.248 1 1 336 . 5 1 1 A 34 34 ILE CB C 34 37.697 37.071 0.626 1 1 349 . 5 1 1 A 34 34 ILE C C 34 177.346 177.986 -0.640 1 1 350 . 5 1 1 A 35 35 HIS N N 35 117.330 119.956 -2.626 1 1 351 . 5 1 1 A 35 35 HIS H H 35 7.193 7.718 -0.525 1 1 352 . 5 1 1 A 35 35 HIS CA C 35 54.932 59.096 -4.164 1 1 353 . 5 1 1 A 35 35 HIS HA H 35 4.916 4.433 0.483 1 1 354 . 5 1 1 A 35 35 HIS CB C 35 28.387 31.210 -2.823 1 1 361 . 5 1 1 A 35 35 HIS C C 35 175.585 176.369 -0.784 1 1 362 . 5 1 1 A 36 36 THR N N 36 112.446 112.875 -0.429 1 1 363 . 5 1 1 A 36 36 THR H H 36 7.752 7.549 0.203 1 1 364 . 5 1 1 A 36 36 THR CA C 36 62.671 60.962 1.709 1 1 365 . 5 1 1 A 36 36 THR HA H 36 4.329 4.377 -0.048 1 1 366 . 5 1 1 A 36 36 THR CB C 36 69.763 67.683 2.080 1 1 372 . 5 1 1 A 36 36 THR C C 36 175.346 173.234 2.112 1 1 373 . 5 1 1 A 37 37 GLY N N 37 110.884 113.451 -2.567 1 1 374 . 5 1 1 A 37 37 GLY H H 37 8.312 8.185 0.127 1 1 375 . 5 1 1 A 37 37 GLY CA C 37 45.315 44.920 0.395 1 1 376 . 5 1 1 A 37 37 GLY HA2 H 37 3.987 4.194 -0.207 1 1 377 . 5 1 1 A 37 37 GLY HA3 H 37 3.987 4.200 -0.213 1 1 378 . 5 1 1 A 37 37 GLY C C 37 174.024 173.751 0.273 1 1 379 . 5 1 1 A 38 38 GLU N N 38 120.586 124.775 -4.189 1 1 380 . 5 1 1 A 38 38 GLU H H 38 8.084 8.692 -0.608 1 1 381 . 5 1 1 A 38 38 GLU CA C 38 56.427 57.271 -0.844 1 1 382 . 5 1 1 A 38 38 GLU HA H 38 4.248 4.348 -0.100 1 1 383 . 5 1 1 A 38 38 GLU CB C 38 30.573 30.644 -0.071 1 1 389 . 5 1 1 A 38 38 GLU C C 38 176.226 176.358 -0.132 1 1 390 . 5 1 1 A 39 39 LYS N N 39 123.823 122.408 1.415 1 1 391 . 5 1 1 A 39 39 LYS H H 39 8.425 8.323 0.102 1 1 392 . 5 1 1 A 39 39 LYS CA C 39 54.118 53.180 0.938 1 1 393 . 5 1 1 A 39 39 LYS HA H 39 4.604 4.760 -0.156 1 1 394 . 5 1 1 A 39 39 LYS CB C 39 32.536 33.356 -0.820 1 1 406 . 5 1 1 A 39 39 LYS C C 39 174.461 176.250 -1.789 1 1 407 . 5 1 1 A 40 40 PRO CA C 40 63.231 63.923 -0.692 1 1 408 . 5 1 1 A 40 40 PRO HA H 40 4.460 4.446 0.014 1 1 409 . 5 1 1 A 40 40 PRO CB C 40 32.200 31.452 0.748 1 1 418 . 5 1 1 A 40 40 PRO C C 40 176.951 176.224 0.727 1 1 419 . 5 1 1 A 41 41 SER N N 41 116.497 115.101 1.396 1 1 420 . 5 1 1 A 41 41 SER H H 41 8.475 7.831 0.644 1 1 421 . 5 1 1 A 41 41 SER CA C 41 58.375 57.696 0.679 1 1 422 . 5 1 1 A 41 41 SER HA H 41 4.491 5.001 -0.510 1 1 423 . 5 1 1 A 41 41 SER CB C 41 63.953 67.250 -3.297 1 1 425 . 5 1 1 A 41 41 SER C C 41 174.588 174.455 0.133 1 1 426 . 5 1 1 A 42 42 GLY CA C 42 44.665 47.551 -2.886 1 1 427 . 5 1 1 A 42 42 GLY HA2 H 42 4.111 3.878 0.233 1 1 428 . 5 1 1 A 42 42 GLY HA3 H 42 4.153 3.878 0.275 1 1 429 . 5 1 1 A 43 43 PRO CA C 43 63.238 62.892 0.346 1 1 430 . 5 1 1 A 43 43 PRO HA H 43 4.467 4.568 -0.101 1 1 431 . 5 1 1 A 43 43 PRO CB C 43 32.174 32.163 0.011 1 1 440 . 5 1 1 A 45 45 SER CA C 45 58.360 62.256 -3.896 1 1 441 . 5 1 1 A 45 45 SER HA H 45 4.482 4.164 0.318 1 1 442 . 5 1 1 A 45 45 SER CB C 45 64.038 63.202 0.836 1 1 445 . 5 1 1 A 45 45 SER C C 45 173.890 174.856 -0.966 1 1 1 . 6 1 1 A 7 7 GLY CA C 7 45.428 44.727 0.701 1 1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.031 4.145 -0.114 1 1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.031 4.146 -0.115 1 1 4 . 6 1 1 A 7 7 GLY C C 7 174.504 172.680 1.824 1 1 5 . 6 1 1 A 8 8 THR N N 8 112.847 118.067 -5.220 1 1 6 . 6 1 1 A 8 8 THR H H 8 8.154 8.678 -0.524 1 1 7 . 6 1 1 A 8 8 THR CA C 8 61.882 61.005 0.877 1 1 8 . 6 1 1 A 8 8 THR HA H 8 4.361 4.947 -0.586 1 1 9 . 6 1 1 A 8 8 THR CB C 8 69.841 72.670 -2.829 1 1 15 . 6 1 1 A 8 8 THR C C 8 175.257 173.446 1.811 1 1 16 . 6 1 1 A 9 9 GLY N N 9 110.940 112.627 -1.687 1 1 17 . 6 1 1 A 9 9 GLY H H 9 8.452 8.763 -0.311 1 1 18 . 6 1 1 A 9 9 GLY CA C 9 45.278 45.572 -0.294 1 1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.920 4.074 -0.154 1 1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.920 4.076 -0.156 1 1 21 . 6 1 1 A 9 9 GLY C C 9 174.062 174.353 -0.291 1 1 22 . 6 1 1 A 10 10 GLU N N 10 120.294 123.246 -2.952 1 1 23 . 6 1 1 A 10 10 GLU H H 10 8.237 8.962 -0.725 1 1 24 . 6 1 1 A 10 10 GLU CA C 10 56.821 56.447 0.374 1 1 25 . 6 1 1 A 10 10 GLU HA H 10 4.205 4.634 -0.429 1 1 26 . 6 1 1 A 10 10 GLU CB C 10 30.426 31.849 -1.423 1 1 32 . 6 1 1 A 10 10 GLU C C 10 176.322 176.196 0.126 1 1 33 . 6 1 1 A 11 11 ARG N N 11 121.374 119.085 2.289 1 1 34 . 6 1 1 A 11 11 ARG H H 11 8.295 7.540 0.755 1 1 35 . 6 1 1 A 11 11 ARG CA C 11 53.547 53.606 -0.059 1 1 36 . 6 1 1 A 11 11 ARG HA H 11 4.539 4.603 -0.064 1 1 37 . 6 1 1 A 11 11 ARG CB C 11 30.672 30.696 -0.024 1 1 45 . 6 1 1 A 11 11 ARG C C 11 173.550 175.841 -2.291 1 1 46 . 6 1 1 A 12 12 PRO CA C 12 63.252 64.510 -1.258 1 1 47 . 6 1 1 A 12 12 PRO HA H 12 4.335 4.228 0.107 1 1 48 . 6 1 1 A 12 12 PRO CB C 12 32.315 31.702 0.613 1 1 57 . 6 1 1 A 12 12 PRO C C 12 176.312 175.777 0.535 1 1 58 . 6 1 1 A 13 13 TYR N N 13 119.535 117.474 2.061 1 1 59 . 6 1 1 A 13 13 TYR H H 13 8.022 7.385 0.637 1 1 60 . 6 1 1 A 13 13 TYR CA C 13 57.666 56.638 1.028 1 1 61 . 6 1 1 A 13 13 TYR HA H 13 4.597 5.357 -0.760 1 1 62 . 6 1 1 A 13 13 TYR CB C 13 38.476 41.845 -3.369 1 1 73 . 6 1 1 A 13 13 TYR C C 13 174.475 174.867 -0.392 1 1 74 . 6 1 1 A 14 14 ILE N N 14 124.578 122.950 1.628 1 1 75 . 6 1 1 A 14 14 ILE H H 14 8.338 8.779 -0.441 1 1 76 . 6 1 1 A 14 14 ILE CA C 14 59.714 60.404 -0.690 1 1 77 . 6 1 1 A 14 14 ILE HA H 14 4.675 4.909 -0.234 1 1 78 . 6 1 1 A 14 14 ILE CB C 14 40.638 41.753 -1.115 1 1 91 . 6 1 1 A 14 14 ILE C C 14 175.750 174.948 0.802 1 1 92 . 6 1 1 A 15 15 CYS N N 15 128.935 127.206 1.729 1 1 93 . 6 1 1 A 15 15 CYS H H 15 9.278 9.200 0.078 1 1 94 . 6 1 1 A 15 15 CYS CA C 15 59.752 60.373 -0.621 1 1 95 . 6 1 1 A 15 15 CYS HA H 15 4.624 4.573 0.051 1 1 96 . 6 1 1 A 15 15 CYS CB C 15 29.428 28.213 1.215 1 1 99 . 6 1 1 A 15 15 CYS C C 15 177.330 176.342 0.988 1 1 100 . 6 1 1 A 16 16 THR N N 16 124.216 119.188 5.028 1 1 101 . 6 1 1 A 16 16 THR H H 16 8.902 8.562 0.340 1 1 102 . 6 1 1 A 16 16 THR CA C 16 64.298 63.311 0.987 1 1 103 . 6 1 1 A 16 16 THR HA H 16 4.130 4.278 -0.148 1 1 104 . 6 1 1 A 16 16 THR CB C 16 68.664 69.498 -0.834 1 1 110 . 6 1 1 A 16 16 THR C C 16 174.750 176.171 -1.421 1 1 111 . 6 1 1 A 17 17 VAL N N 17 123.592 122.193 1.399 1 1 112 . 6 1 1 A 17 17 VAL H H 17 8.618 7.799 0.819 1 1 113 . 6 1 1 A 17 17 VAL CA C 17 65.222 66.576 -1.354 1 1 114 . 6 1 1 A 17 17 VAL HA H 17 3.795 3.396 0.399 1 1 115 . 6 1 1 A 17 17 VAL CB C 17 32.714 31.252 1.462 1 1 125 . 6 1 1 A 17 17 VAL C C 17 177.090 177.473 -0.383 1 1 126 . 6 1 1 A 18 18 CYS N N 18 115.099 114.904 0.195 1 1 127 . 6 1 1 A 18 18 CYS H H 18 7.957 7.174 0.783 1 1 128 . 6 1 1 A 18 18 CYS CA C 18 58.176 59.687 -1.511 1 1 129 . 6 1 1 A 18 18 CYS HA H 18 5.159 4.551 0.608 1 1 130 . 6 1 1 A 18 18 CYS CB C 18 32.806 29.473 3.333 1 1 133 . 6 1 1 A 18 18 CYS C C 18 176.462 175.206 1.256 1 1 134 . 6 1 1 A 19 19 GLY N N 19 113.815 110.097 3.718 1 1 135 . 6 1 1 A 19 19 GLY H H 19 8.183 8.133 0.050 1 1 136 . 6 1 1 A 19 19 GLY CA C 19 46.160 45.337 0.823 1 1 137 . 6 1 1 A 19 19 GLY HA2 H 19 4.209 4.054 0.155 1 1 138 . 6 1 1 A 19 19 GLY HA3 H 19 3.748 4.062 -0.314 1 1 139 . 6 1 1 A 19 19 GLY C C 19 173.546 174.375 -0.829 1 1 140 . 6 1 1 A 20 20 LYS N N 20 123.111 121.065 2.046 1 1 141 . 6 1 1 A 20 20 LYS H H 20 7.986 7.838 0.148 1 1 142 . 6 1 1 A 20 20 LYS CA C 20 58.320 55.127 3.193 1 1 143 . 6 1 1 A 20 20 LYS HA H 20 3.936 4.756 -0.820 1 1 144 . 6 1 1 A 20 20 LYS CB C 20 33.685 34.153 -0.468 1 1 156 . 6 1 1 A 20 20 LYS C C 20 173.419 175.139 -1.720 1 1 157 . 6 1 1 A 21 21 ALA N N 21 124.165 125.242 -1.077 1 1 158 . 6 1 1 A 21 21 ALA H H 21 7.779 8.325 -0.546 1 1 159 . 6 1 1 A 21 21 ALA CA C 21 50.486 49.952 0.534 1 1 160 . 6 1 1 A 21 21 ALA HA H 21 5.105 5.478 -0.373 1 1 161 . 6 1 1 A 21 21 ALA CB C 21 22.458 22.810 -0.352 1 1 165 . 6 1 1 A 21 21 ALA C C 21 176.756 175.424 1.332 1 1 166 . 6 1 1 A 22 22 PHE N N 22 118.244 117.586 0.658 1 1 167 . 6 1 1 A 22 22 PHE H H 22 8.986 8.705 0.281 1 1 168 . 6 1 1 A 22 22 PHE CA C 22 57.418 56.814 0.604 1 1 169 . 6 1 1 A 22 22 PHE HA H 22 4.717 4.916 -0.199 1 1 170 . 6 1 1 A 22 22 PHE CB C 22 43.231 43.070 0.161 1 1 183 . 6 1 1 A 22 22 PHE C C 22 175.604 175.837 -0.233 1 1 184 . 6 1 1 A 23 23 THR N N 23 112.986 116.326 -3.340 1 1 185 . 6 1 1 A 23 23 THR H H 23 8.941 9.008 -0.067 1 1 186 . 6 1 1 A 23 23 THR CA C 23 63.847 65.171 -1.324 1 1 187 . 6 1 1 A 23 23 THR HA H 23 4.470 4.306 0.164 1 1 188 . 6 1 1 A 23 23 THR CB C 23 69.556 69.276 0.280 1 1 194 . 6 1 1 A 23 23 THR C C 23 174.032 174.959 -0.927 1 1 195 . 6 1 1 A 24 24 ASP N N 24 118.330 118.969 -0.639 1 1 196 . 6 1 1 A 24 24 ASP H H 24 7.637 8.274 -0.637 1 1 197 . 6 1 1 A 24 24 ASP CA C 24 52.811 53.297 -0.486 1 1 198 . 6 1 1 A 24 24 ASP HA H 24 4.808 5.121 -0.313 1 1 199 . 6 1 1 A 24 24 ASP CB C 24 43.632 42.523 1.109 1 1 202 . 6 1 1 A 24 24 ASP C C 24 175.092 176.345 -1.253 1 1 203 . 6 1 1 A 25 25 ARG N N 25 124.562 125.019 -0.457 1 1 204 . 6 1 1 A 25 25 ARG H H 25 8.384 8.260 0.124 1 1 205 . 6 1 1 A 25 25 ARG CA C 25 59.227 59.468 -0.241 1 1 206 . 6 1 1 A 25 25 ARG HA H 25 3.139 3.144 -0.005 1 1 207 . 6 1 1 A 25 25 ARG CB C 25 29.797 29.485 0.312 1 1 216 . 6 1 1 A 25 25 ARG C C 25 177.768 177.882 -0.114 1 1 217 . 6 1 1 A 26 26 SER N N 26 114.310 115.931 -1.621 1 1 218 . 6 1 1 A 26 26 SER H H 26 8.404 8.069 0.335 1 1 219 . 6 1 1 A 26 26 SER CA C 26 61.865 61.817 0.048 1 1 220 . 6 1 1 A 26 26 SER HA H 26 3.981 4.056 -0.075 1 1 221 . 6 1 1 A 26 26 SER CB C 26 62.116 62.484 -0.368 1 1 224 . 6 1 1 A 26 26 SER C C 26 177.339 176.375 0.964 1 1 225 . 6 1 1 A 27 27 ASN N N 27 120.170 120.043 0.127 1 1 226 . 6 1 1 A 27 27 ASN H H 27 8.024 7.947 0.077 1 1 227 . 6 1 1 A 27 27 ASN CA C 27 55.713 56.825 -1.112 1 1 228 . 6 1 1 A 27 27 ASN HA H 27 4.426 4.348 0.078 1 1 229 . 6 1 1 A 27 27 ASN CB C 27 38.343 39.420 -1.077 1 1 235 . 6 1 1 A 27 27 ASN C C 27 177.564 177.113 0.451 1 1 236 . 6 1 1 A 28 28 LEU N N 28 123.285 119.718 3.567 1 1 237 . 6 1 1 A 28 28 LEU H H 28 7.047 7.776 -0.729 1 1 238 . 6 1 1 A 28 28 LEU CA C 28 58.259 58.008 0.251 1 1 239 . 6 1 1 A 28 28 LEU HA H 28 3.147 2.978 0.169 1 1 240 . 6 1 1 A 28 28 LEU CB C 28 40.313 41.190 -0.877 1 1 253 . 6 1 1 A 28 28 LEU C C 28 177.394 178.312 -0.918 1 1 254 . 6 1 1 A 29 29 ILE N N 29 119.714 119.983 -0.269 1 1 255 . 6 1 1 A 29 29 ILE H H 29 8.148 8.156 -0.008 1 1 256 . 6 1 1 A 29 29 ILE CA C 29 64.564 65.538 -0.974 1 1 257 . 6 1 1 A 29 29 ILE HA H 29 3.692 3.436 0.256 1 1 258 . 6 1 1 A 29 29 ILE CB C 29 37.503 37.944 -0.441 1 1 271 . 6 1 1 A 29 29 ILE C C 29 179.034 178.178 0.856 1 1 272 . 6 1 1 A 30 30 LYS N N 30 118.869 120.594 -1.725 1 1 273 . 6 1 1 A 30 30 LYS H H 30 7.539 8.154 -0.615 1 1 274 . 6 1 1 A 30 30 LYS CA C 30 59.707 59.181 0.526 1 1 275 . 6 1 1 A 30 30 LYS HA H 30 3.917 3.862 0.055 1 1 276 . 6 1 1 A 30 30 LYS CB C 30 32.807 32.019 0.788 1 1 288 . 6 1 1 A 30 30 LYS C C 30 179.031 178.955 0.076 1 1 289 . 6 1 1 A 31 31 HIS N N 31 118.737 119.290 -0.553 1 1 290 . 6 1 1 A 31 31 HIS H H 31 7.554 7.998 -0.444 1 1 291 . 6 1 1 A 31 31 HIS CA C 31 59.020 59.895 -0.875 1 1 292 . 6 1 1 A 31 31 HIS HA H 31 4.175 4.147 0.028 1 1 293 . 6 1 1 A 31 31 HIS CB C 31 28.480 29.473 -0.993 1 1 300 . 6 1 1 A 31 31 HIS C C 31 176.197 177.262 -1.065 1 1 301 . 6 1 1 A 32 32 GLN N N 32 115.420 117.783 -2.363 1 1 302 . 6 1 1 A 32 32 GLN H H 32 8.379 8.177 0.202 1 1 303 . 6 1 1 A 32 32 GLN CA C 32 59.377 58.751 0.626 1 1 304 . 6 1 1 A 32 32 GLN HA H 32 3.642 3.818 -0.176 1 1 305 . 6 1 1 A 32 32 GLN CB C 32 28.253 28.325 -0.072 1 1 314 . 6 1 1 A 32 32 GLN C C 32 177.510 178.577 -1.067 1 1 315 . 6 1 1 A 33 33 LYS N N 33 117.483 119.251 -1.768 1 1 316 . 6 1 1 A 33 33 LYS H H 33 7.088 7.934 -0.846 1 1 317 . 6 1 1 A 33 33 LYS CA C 33 58.393 58.470 -0.077 1 1 318 . 6 1 1 A 33 33 LYS HA H 33 4.094 3.988 0.106 1 1 319 . 6 1 1 A 33 33 LYS CB C 33 32.312 32.144 0.168 1 1 331 . 6 1 1 A 33 33 LYS C C 33 178.685 179.193 -0.508 1 1 332 . 6 1 1 A 34 34 ILE N N 34 116.168 115.497 0.671 1 1 333 . 6 1 1 A 34 34 ILE H H 34 7.815 7.584 0.231 1 1 334 . 6 1 1 A 34 34 ILE CA C 34 63.019 64.043 -1.024 1 1 335 . 6 1 1 A 34 34 ILE HA H 34 3.979 3.793 0.186 1 1 336 . 6 1 1 A 34 34 ILE CB C 34 37.697 36.920 0.777 1 1 349 . 6 1 1 A 34 34 ILE C C 34 177.346 176.481 0.865 1 1 350 . 6 1 1 A 35 35 HIS N N 35 117.330 119.357 -2.027 1 1 351 . 6 1 1 A 35 35 HIS H H 35 7.193 7.659 -0.466 1 1 352 . 6 1 1 A 35 35 HIS CA C 35 54.932 55.625 -0.693 1 1 353 . 6 1 1 A 35 35 HIS HA H 35 4.916 4.625 0.291 1 1 354 . 6 1 1 A 35 35 HIS CB C 35 28.387 29.122 -0.735 1 1 361 . 6 1 1 A 35 35 HIS C C 35 175.585 174.391 1.194 1 1 362 . 6 1 1 A 36 36 THR N N 36 112.446 109.792 2.654 1 1 363 . 6 1 1 A 36 36 THR H H 36 7.752 7.538 0.214 1 1 364 . 6 1 1 A 36 36 THR CA C 36 62.671 60.735 1.936 1 1 365 . 6 1 1 A 36 36 THR HA H 36 4.329 4.843 -0.514 1 1 366 . 6 1 1 A 36 36 THR CB C 36 69.763 70.313 -0.550 1 1 372 . 6 1 1 A 36 36 THR C C 36 175.346 173.427 1.919 1 1 373 . 6 1 1 A 37 37 GLY N N 37 110.884 112.337 -1.453 1 1 374 . 6 1 1 A 37 37 GLY H H 37 8.312 8.875 -0.563 1 1 375 . 6 1 1 A 37 37 GLY CA C 37 45.315 45.434 -0.119 1 1 376 . 6 1 1 A 37 37 GLY HA2 H 37 3.987 4.179 -0.192 1 1 377 . 6 1 1 A 37 37 GLY HA3 H 37 3.987 4.186 -0.199 1 1 378 . 6 1 1 A 37 37 GLY C C 37 174.024 174.650 -0.626 1 1 379 . 6 1 1 A 38 38 GLU N N 38 120.586 125.650 -5.064 1 1 380 . 6 1 1 A 38 38 GLU H H 38 8.084 8.633 -0.549 1 1 381 . 6 1 1 A 38 38 GLU CA C 38 56.427 58.971 -2.544 1 1 382 . 6 1 1 A 38 38 GLU HA H 38 4.248 4.174 0.074 1 1 383 . 6 1 1 A 38 38 GLU CB C 38 30.573 30.253 0.320 1 1 389 . 6 1 1 A 38 38 GLU C C 38 176.226 177.522 -1.296 1 1 390 . 6 1 1 A 39 39 LYS N N 39 123.823 118.995 4.828 1 1 391 . 6 1 1 A 39 39 LYS H H 39 8.425 7.694 0.731 1 1 392 . 6 1 1 A 39 39 LYS CA C 39 54.118 54.541 -0.423 1 1 393 . 6 1 1 A 39 39 LYS HA H 39 4.604 4.444 0.160 1 1 394 . 6 1 1 A 39 39 LYS CB C 39 32.536 31.742 0.794 1 1 406 . 6 1 1 A 39 39 LYS C C 39 174.461 174.599 -0.138 1 1 407 . 6 1 1 A 40 40 PRO CA C 40 63.231 62.673 0.558 1 1 408 . 6 1 1 A 40 40 PRO HA H 40 4.460 4.824 -0.364 1 1 409 . 6 1 1 A 40 40 PRO CB C 40 32.200 32.096 0.104 1 1 418 . 6 1 1 A 40 40 PRO C C 40 176.951 176.095 0.856 1 1 419 . 6 1 1 A 41 41 SER N N 41 116.497 113.477 3.020 1 1 420 . 6 1 1 A 41 41 SER H H 41 8.475 8.768 -0.293 1 1 421 . 6 1 1 A 41 41 SER CA C 41 58.375 57.162 1.213 1 1 422 . 6 1 1 A 41 41 SER HA H 41 4.491 4.846 -0.355 1 1 423 . 6 1 1 A 41 41 SER CB C 41 63.953 65.819 -1.866 1 1 425 . 6 1 1 A 41 41 SER C C 41 174.588 172.876 1.712 1 1 426 . 6 1 1 A 42 42 GLY CA C 42 44.665 44.555 0.110 1 1 427 . 6 1 1 A 42 42 GLY HA2 H 42 4.111 4.147 -0.036 1 1 428 . 6 1 1 A 42 42 GLY HA3 H 42 4.153 4.147 0.006 1 1 429 . 6 1 1 A 43 43 PRO CA C 43 63.238 62.252 0.986 1 1 430 . 6 1 1 A 43 43 PRO HA H 43 4.467 4.752 -0.285 1 1 431 . 6 1 1 A 43 43 PRO CB C 43 32.174 29.537 2.637 1 1 440 . 6 1 1 A 45 45 SER CA C 45 58.360 59.980 -1.620 1 1 441 . 6 1 1 A 45 45 SER HA H 45 4.482 4.189 0.293 1 1 442 . 6 1 1 A 45 45 SER CB C 45 64.038 62.896 1.142 1 1 445 . 6 1 1 A 45 45 SER C C 45 173.890 175.079 -1.189 1 1 1 . 7 1 1 A 7 7 GLY CA C 7 45.428 46.670 -1.242 1 1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.031 3.956 0.075 1 1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.031 3.956 0.075 1 1 4 . 7 1 1 A 7 7 GLY C C 7 174.504 173.494 1.010 1 1 5 . 7 1 1 A 8 8 THR N N 8 112.847 115.534 -2.687 1 1 6 . 7 1 1 A 8 8 THR H H 8 8.154 7.824 0.330 1 1 7 . 7 1 1 A 8 8 THR CA C 8 61.882 60.111 1.771 1 1 8 . 7 1 1 A 8 8 THR HA H 8 4.361 4.721 -0.360 1 1 9 . 7 1 1 A 8 8 THR CB C 8 69.841 70.002 -0.161 1 1 15 . 7 1 1 A 8 8 THR C C 8 175.257 172.542 2.715 1 1 16 . 7 1 1 A 9 9 GLY N N 9 110.940 111.793 -0.853 1 1 17 . 7 1 1 A 9 9 GLY H H 9 8.452 8.428 0.024 1 1 18 . 7 1 1 A 9 9 GLY CA C 9 45.278 44.298 0.980 1 1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.920 4.379 -0.459 1 1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.920 4.382 -0.462 1 1 21 . 7 1 1 A 9 9 GLY C C 9 174.062 172.480 1.582 1 1 22 . 7 1 1 A 10 10 GLU N N 10 120.294 120.886 -0.592 1 1 23 . 7 1 1 A 10 10 GLU H H 10 8.237 8.648 -0.411 1 1 24 . 7 1 1 A 10 10 GLU CA C 10 56.821 55.055 1.766 1 1 25 . 7 1 1 A 10 10 GLU HA H 10 4.205 5.027 -0.822 1 1 26 . 7 1 1 A 10 10 GLU CB C 10 30.426 33.599 -3.173 1 1 32 . 7 1 1 A 10 10 GLU C C 10 176.322 174.699 1.623 1 1 33 . 7 1 1 A 11 11 ARG N N 11 121.374 123.784 -2.410 1 1 34 . 7 1 1 A 11 11 ARG H H 11 8.295 8.771 -0.476 1 1 35 . 7 1 1 A 11 11 ARG CA C 11 53.547 52.790 0.757 1 1 36 . 7 1 1 A 11 11 ARG HA H 11 4.539 4.792 -0.253 1 1 37 . 7 1 1 A 11 11 ARG CB C 11 30.672 31.188 -0.516 1 1 45 . 7 1 1 A 11 11 ARG C C 11 173.550 175.890 -2.340 1 1 46 . 7 1 1 A 12 12 PRO CA C 12 63.252 64.905 -1.653 1 1 47 . 7 1 1 A 12 12 PRO HA H 12 4.335 4.300 0.035 1 1 48 . 7 1 1 A 12 12 PRO CB C 12 32.315 31.567 0.748 1 1 57 . 7 1 1 A 12 12 PRO C C 12 176.312 176.034 0.278 1 1 58 . 7 1 1 A 13 13 TYR N N 13 119.535 117.814 1.721 1 1 59 . 7 1 1 A 13 13 TYR H H 13 8.022 7.652 0.370 1 1 60 . 7 1 1 A 13 13 TYR CA C 13 57.666 58.551 -0.885 1 1 61 . 7 1 1 A 13 13 TYR HA H 13 4.597 4.680 -0.083 1 1 62 . 7 1 1 A 13 13 TYR CB C 13 38.476 39.454 -0.978 1 1 73 . 7 1 1 A 13 13 TYR C C 13 174.475 176.385 -1.910 1 1 74 . 7 1 1 A 14 14 ILE N N 14 124.578 123.706 0.872 1 1 75 . 7 1 1 A 14 14 ILE H H 14 8.338 8.947 -0.609 1 1 76 . 7 1 1 A 14 14 ILE CA C 14 59.714 59.677 0.037 1 1 77 . 7 1 1 A 14 14 ILE HA H 14 4.675 5.137 -0.462 1 1 78 . 7 1 1 A 14 14 ILE CB C 14 40.638 41.842 -1.204 1 1 91 . 7 1 1 A 14 14 ILE C C 14 175.750 174.512 1.238 1 1 92 . 7 1 1 A 15 15 CYS N N 15 128.935 125.406 3.529 1 1 93 . 7 1 1 A 15 15 CYS H H 15 9.278 9.150 0.128 1 1 94 . 7 1 1 A 15 15 CYS CA C 15 59.752 57.611 2.141 1 1 95 . 7 1 1 A 15 15 CYS HA H 15 4.624 4.905 -0.281 1 1 96 . 7 1 1 A 15 15 CYS CB C 15 29.428 29.286 0.142 1 1 99 . 7 1 1 A 15 15 CYS C C 15 177.330 175.554 1.776 1 1 100 . 7 1 1 A 16 16 THR N N 16 124.216 123.413 0.803 1 1 101 . 7 1 1 A 16 16 THR H H 16 8.902 8.999 -0.097 1 1 102 . 7 1 1 A 16 16 THR CA C 16 64.298 62.170 2.128 1 1 103 . 7 1 1 A 16 16 THR HA H 16 4.130 4.502 -0.372 1 1 104 . 7 1 1 A 16 16 THR CB C 16 68.664 68.413 0.251 1 1 110 . 7 1 1 A 16 16 THR C C 16 174.750 175.412 -0.662 1 1 111 . 7 1 1 A 17 17 VAL N N 17 123.592 120.464 3.128 1 1 112 . 7 1 1 A 17 17 VAL H H 17 8.618 7.970 0.648 1 1 113 . 7 1 1 A 17 17 VAL CA C 17 65.222 63.427 1.795 1 1 114 . 7 1 1 A 17 17 VAL HA H 17 3.795 4.138 -0.343 1 1 115 . 7 1 1 A 17 17 VAL CB C 17 32.714 33.954 -1.240 1 1 125 . 7 1 1 A 17 17 VAL C C 17 177.090 177.129 -0.039 1 1 126 . 7 1 1 A 18 18 CYS N N 18 115.099 115.148 -0.049 1 1 127 . 7 1 1 A 18 18 CYS H H 18 7.957 8.021 -0.064 1 1 128 . 7 1 1 A 18 18 CYS CA C 18 58.176 59.242 -1.066 1 1 129 . 7 1 1 A 18 18 CYS HA H 18 5.159 4.642 0.517 1 1 130 . 7 1 1 A 18 18 CYS CB C 18 32.806 30.205 2.601 1 1 133 . 7 1 1 A 18 18 CYS C C 18 176.462 175.615 0.847 1 1 134 . 7 1 1 A 19 19 GLY N N 19 113.815 110.071 3.744 1 1 135 . 7 1 1 A 19 19 GLY H H 19 8.183 8.022 0.161 1 1 136 . 7 1 1 A 19 19 GLY CA C 19 46.160 45.853 0.307 1 1 137 . 7 1 1 A 19 19 GLY HA2 H 19 4.209 4.047 0.162 1 1 138 . 7 1 1 A 19 19 GLY HA3 H 19 3.748 4.056 -0.308 1 1 139 . 7 1 1 A 19 19 GLY C C 19 173.546 173.912 -0.366 1 1 140 . 7 1 1 A 20 20 LYS N N 20 123.111 119.951 3.160 1 1 141 . 7 1 1 A 20 20 LYS H H 20 7.986 7.713 0.273 1 1 142 . 7 1 1 A 20 20 LYS CA C 20 58.320 54.586 3.734 1 1 143 . 7 1 1 A 20 20 LYS HA H 20 3.936 4.777 -0.841 1 1 144 . 7 1 1 A 20 20 LYS CB C 20 33.685 35.639 -1.954 1 1 156 . 7 1 1 A 20 20 LYS C C 20 173.419 174.693 -1.274 1 1 157 . 7 1 1 A 21 21 ALA N N 21 124.165 126.590 -2.425 1 1 158 . 7 1 1 A 21 21 ALA H H 21 7.779 8.527 -0.748 1 1 159 . 7 1 1 A 21 21 ALA CA C 21 50.486 50.049 0.437 1 1 160 . 7 1 1 A 21 21 ALA HA H 21 5.105 5.446 -0.341 1 1 161 . 7 1 1 A 21 21 ALA CB C 21 22.458 22.606 -0.148 1 1 165 . 7 1 1 A 21 21 ALA C C 21 176.756 175.967 0.789 1 1 166 . 7 1 1 A 22 22 PHE N N 22 118.244 117.431 0.813 1 1 167 . 7 1 1 A 22 22 PHE H H 22 8.986 8.736 0.250 1 1 168 . 7 1 1 A 22 22 PHE CA C 22 57.418 56.922 0.496 1 1 169 . 7 1 1 A 22 22 PHE HA H 22 4.717 4.896 -0.179 1 1 170 . 7 1 1 A 22 22 PHE CB C 22 43.231 42.612 0.619 1 1 183 . 7 1 1 A 22 22 PHE C C 22 175.604 175.642 -0.038 1 1 184 . 7 1 1 A 23 23 THR N N 23 112.986 117.549 -4.563 1 1 185 . 7 1 1 A 23 23 THR H H 23 8.941 9.149 -0.208 1 1 186 . 7 1 1 A 23 23 THR CA C 23 63.847 66.362 -2.515 1 1 187 . 7 1 1 A 23 23 THR HA H 23 4.470 4.098 0.372 1 1 188 . 7 1 1 A 23 23 THR CB C 23 69.556 69.350 0.206 1 1 194 . 7 1 1 A 23 23 THR C C 23 174.032 175.103 -1.071 1 1 195 . 7 1 1 A 24 24 ASP N N 24 118.330 119.066 -0.736 1 1 196 . 7 1 1 A 24 24 ASP H H 24 7.637 8.218 -0.581 1 1 197 . 7 1 1 A 24 24 ASP CA C 24 52.811 53.315 -0.504 1 1 198 . 7 1 1 A 24 24 ASP HA H 24 4.808 4.815 -0.007 1 1 199 . 7 1 1 A 24 24 ASP CB C 24 43.632 41.525 2.107 1 1 202 . 7 1 1 A 24 24 ASP C C 24 175.092 176.508 -1.416 1 1 203 . 7 1 1 A 25 25 ARG N N 25 124.562 124.870 -0.308 1 1 204 . 7 1 1 A 25 25 ARG H H 25 8.384 8.321 0.063 1 1 205 . 7 1 1 A 25 25 ARG CA C 25 59.227 59.462 -0.235 1 1 206 . 7 1 1 A 25 25 ARG HA H 25 3.139 3.141 -0.002 1 1 207 . 7 1 1 A 25 25 ARG CB C 25 29.797 29.395 0.402 1 1 216 . 7 1 1 A 25 25 ARG C C 25 177.768 177.790 -0.022 1 1 217 . 7 1 1 A 26 26 SER N N 26 114.310 116.281 -1.971 1 1 218 . 7 1 1 A 26 26 SER H H 26 8.404 8.001 0.403 1 1 219 . 7 1 1 A 26 26 SER CA C 26 61.865 61.844 0.021 1 1 220 . 7 1 1 A 26 26 SER HA H 26 3.981 4.043 -0.062 1 1 221 . 7 1 1 A 26 26 SER CB C 26 62.116 62.504 -0.388 1 1 224 . 7 1 1 A 26 26 SER C C 26 177.339 176.698 0.641 1 1 225 . 7 1 1 A 27 27 ASN N N 27 120.170 120.176 -0.006 1 1 226 . 7 1 1 A 27 27 ASN H H 27 8.024 8.300 -0.276 1 1 227 . 7 1 1 A 27 27 ASN CA C 27 55.713 56.356 -0.643 1 1 228 . 7 1 1 A 27 27 ASN HA H 27 4.426 4.241 0.185 1 1 229 . 7 1 1 A 27 27 ASN CB C 27 38.343 37.840 0.503 1 1 235 . 7 1 1 A 27 27 ASN C C 27 177.564 177.562 0.002 1 1 236 . 7 1 1 A 28 28 LEU N N 28 123.285 120.667 2.618 1 1 237 . 7 1 1 A 28 28 LEU H H 28 7.047 7.554 -0.507 1 1 238 . 7 1 1 A 28 28 LEU CA C 28 58.259 58.006 0.253 1 1 239 . 7 1 1 A 28 28 LEU HA H 28 3.147 3.230 -0.083 1 1 240 . 7 1 1 A 28 28 LEU CB C 28 40.313 41.414 -1.101 1 1 253 . 7 1 1 A 28 28 LEU C C 28 177.394 178.372 -0.978 1 1 254 . 7 1 1 A 29 29 ILE N N 29 119.714 120.031 -0.317 1 1 255 . 7 1 1 A 29 29 ILE H H 29 8.148 8.092 0.056 1 1 256 . 7 1 1 A 29 29 ILE CA C 29 64.564 65.795 -1.231 1 1 257 . 7 1 1 A 29 29 ILE HA H 29 3.692 3.457 0.235 1 1 258 . 7 1 1 A 29 29 ILE CB C 29 37.503 37.941 -0.438 1 1 271 . 7 1 1 A 29 29 ILE C C 29 179.034 178.123 0.911 1 1 272 . 7 1 1 A 30 30 LYS N N 30 118.869 120.725 -1.856 1 1 273 . 7 1 1 A 30 30 LYS H H 30 7.539 8.570 -1.031 1 1 274 . 7 1 1 A 30 30 LYS CA C 30 59.707 59.067 0.640 1 1 275 . 7 1 1 A 30 30 LYS HA H 30 3.917 3.900 0.017 1 1 276 . 7 1 1 A 30 30 LYS CB C 30 32.807 31.947 0.860 1 1 288 . 7 1 1 A 30 30 LYS C C 30 179.031 178.836 0.195 1 1 289 . 7 1 1 A 31 31 HIS N N 31 118.737 119.264 -0.527 1 1 290 . 7 1 1 A 31 31 HIS H H 31 7.554 8.058 -0.504 1 1 291 . 7 1 1 A 31 31 HIS CA C 31 59.020 59.647 -0.627 1 1 292 . 7 1 1 A 31 31 HIS HA H 31 4.175 4.096 0.079 1 1 293 . 7 1 1 A 31 31 HIS CB C 31 28.480 29.548 -1.068 1 1 300 . 7 1 1 A 31 31 HIS C C 31 176.197 177.422 -1.225 1 1 301 . 7 1 1 A 32 32 GLN N N 32 115.420 118.920 -3.500 1 1 302 . 7 1 1 A 32 32 GLN H H 32 8.379 7.972 0.407 1 1 303 . 7 1 1 A 32 32 GLN CA C 32 59.377 58.721 0.656 1 1 304 . 7 1 1 A 32 32 GLN HA H 32 3.642 3.788 -0.146 1 1 305 . 7 1 1 A 32 32 GLN CB C 32 28.253 28.188 0.065 1 1 314 . 7 1 1 A 32 32 GLN C C 32 177.510 178.606 -1.096 1 1 315 . 7 1 1 A 33 33 LYS N N 33 117.483 119.037 -1.554 1 1 316 . 7 1 1 A 33 33 LYS H H 33 7.088 7.835 -0.747 1 1 317 . 7 1 1 A 33 33 LYS CA C 33 58.393 58.245 0.148 1 1 318 . 7 1 1 A 33 33 LYS HA H 33 4.094 3.976 0.118 1 1 319 . 7 1 1 A 33 33 LYS CB C 33 32.312 32.126 0.186 1 1 331 . 7 1 1 A 33 33 LYS C C 33 178.685 178.792 -0.107 1 1 332 . 7 1 1 A 34 34 ILE N N 34 116.168 115.462 0.706 1 1 333 . 7 1 1 A 34 34 ILE H H 34 7.815 7.212 0.603 1 1 334 . 7 1 1 A 34 34 ILE CA C 34 63.019 64.217 -1.198 1 1 335 . 7 1 1 A 34 34 ILE HA H 34 3.979 3.720 0.259 1 1 336 . 7 1 1 A 34 34 ILE CB C 34 37.697 37.177 0.520 1 1 349 . 7 1 1 A 34 34 ILE C C 34 177.346 177.644 -0.298 1 1 350 . 7 1 1 A 35 35 HIS N N 35 117.330 120.160 -2.830 1 1 351 . 7 1 1 A 35 35 HIS H H 35 7.193 7.485 -0.292 1 1 352 . 7 1 1 A 35 35 HIS CA C 35 54.932 57.863 -2.931 1 1 353 . 7 1 1 A 35 35 HIS HA H 35 4.916 4.547 0.369 1 1 354 . 7 1 1 A 35 35 HIS CB C 35 28.387 30.357 -1.970 1 1 361 . 7 1 1 A 35 35 HIS C C 35 175.585 175.407 0.178 1 1 362 . 7 1 1 A 36 36 THR N N 36 112.446 114.214 -1.768 1 1 363 . 7 1 1 A 36 36 THR H H 36 7.752 7.394 0.358 1 1 364 . 7 1 1 A 36 36 THR CA C 36 62.671 60.772 1.899 1 1 365 . 7 1 1 A 36 36 THR HA H 36 4.329 4.548 -0.219 1 1 366 . 7 1 1 A 36 36 THR CB C 36 69.763 69.776 -0.013 1 1 372 . 7 1 1 A 36 36 THR C C 36 175.346 175.559 -0.213 1 1 373 . 7 1 1 A 37 37 GLY N N 37 110.884 112.605 -1.721 1 1 374 . 7 1 1 A 37 37 GLY H H 37 8.312 8.410 -0.098 1 1 375 . 7 1 1 A 37 37 GLY CA C 37 45.315 46.541 -1.226 1 1 376 . 7 1 1 A 37 37 GLY HA2 H 37 3.987 3.899 0.088 1 1 377 . 7 1 1 A 37 37 GLY HA3 H 37 3.987 3.901 0.086 1 1 378 . 7 1 1 A 37 37 GLY C C 37 174.024 173.863 0.161 1 1 379 . 7 1 1 A 38 38 GLU N N 38 120.586 119.886 0.700 1 1 380 . 7 1 1 A 38 38 GLU H H 38 8.084 7.903 0.181 1 1 381 . 7 1 1 A 38 38 GLU CA C 38 56.427 54.580 1.847 1 1 382 . 7 1 1 A 38 38 GLU HA H 38 4.248 4.795 -0.547 1 1 383 . 7 1 1 A 38 38 GLU CB C 38 30.573 32.975 -2.402 1 1 389 . 7 1 1 A 38 38 GLU C C 38 176.226 175.372 0.854 1 1 390 . 7 1 1 A 39 39 LYS N N 39 123.823 122.902 0.921 1 1 391 . 7 1 1 A 39 39 LYS H H 39 8.425 8.296 0.129 1 1 392 . 7 1 1 A 39 39 LYS CA C 39 54.118 55.111 -0.993 1 1 393 . 7 1 1 A 39 39 LYS HA H 39 4.604 4.347 0.257 1 1 394 . 7 1 1 A 39 39 LYS CB C 39 32.536 32.431 0.105 1 1 406 . 7 1 1 A 39 39 LYS C C 39 174.461 175.783 -1.322 1 1 407 . 7 1 1 A 40 40 PRO CA C 40 63.231 62.837 0.394 1 1 408 . 7 1 1 A 40 40 PRO HA H 40 4.460 4.769 -0.309 1 1 409 . 7 1 1 A 40 40 PRO CB C 40 32.200 31.713 0.487 1 1 418 . 7 1 1 A 40 40 PRO C C 40 176.951 176.258 0.693 1 1 419 . 7 1 1 A 41 41 SER N N 41 116.497 113.653 2.844 1 1 420 . 7 1 1 A 41 41 SER H H 41 8.475 8.432 0.043 1 1 421 . 7 1 1 A 41 41 SER CA C 41 58.375 57.657 0.718 1 1 422 . 7 1 1 A 41 41 SER HA H 41 4.491 4.938 -0.447 1 1 423 . 7 1 1 A 41 41 SER CB C 41 63.953 65.834 -1.881 1 1 425 . 7 1 1 A 41 41 SER C C 41 174.588 173.592 0.996 1 1 426 . 7 1 1 A 42 42 GLY CA C 42 44.665 46.774 -2.109 1 1 427 . 7 1 1 A 42 42 GLY HA2 H 42 4.111 4.041 0.070 1 1 428 . 7 1 1 A 42 42 GLY HA3 H 42 4.153 4.041 0.112 1 1 429 . 7 1 1 A 43 43 PRO CA C 43 63.238 63.690 -0.452 1 1 430 . 7 1 1 A 43 43 PRO HA H 43 4.467 4.483 -0.016 1 1 431 . 7 1 1 A 43 43 PRO CB C 43 32.174 32.179 -0.005 1 1 440 . 7 1 1 A 45 45 SER CA C 45 58.360 56.568 1.792 1 1 441 . 7 1 1 A 45 45 SER HA H 45 4.482 4.916 -0.434 1 1 442 . 7 1 1 A 45 45 SER CB C 45 64.038 64.294 -0.256 1 1 445 . 7 1 1 A 45 45 SER C C 45 173.890 173.522 0.368 1 1 1 . 8 1 1 A 7 7 GLY CA C 7 45.428 45.711 -0.283 1 1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.031 4.217 -0.186 1 1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.031 4.218 -0.187 1 1 4 . 8 1 1 A 7 7 GLY C C 7 174.504 172.319 2.185 1 1 5 . 8 1 1 A 8 8 THR N N 8 112.847 118.597 -5.750 1 1 6 . 8 1 1 A 8 8 THR H H 8 8.154 8.623 -0.469 1 1 7 . 8 1 1 A 8 8 THR CA C 8 61.882 60.954 0.928 1 1 8 . 8 1 1 A 8 8 THR HA H 8 4.361 4.445 -0.084 1 1 9 . 8 1 1 A 8 8 THR CB C 8 69.841 67.515 2.326 1 1 15 . 8 1 1 A 8 8 THR C C 8 175.257 173.653 1.604 1 1 16 . 8 1 1 A 9 9 GLY N N 9 110.940 112.562 -1.622 1 1 17 . 8 1 1 A 9 9 GLY H H 9 8.452 8.157 0.295 1 1 18 . 8 1 1 A 9 9 GLY CA C 9 45.278 45.327 -0.049 1 1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.920 4.015 -0.095 1 1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.920 4.018 -0.098 1 1 21 . 8 1 1 A 9 9 GLY C C 9 174.062 172.887 1.175 1 1 22 . 8 1 1 A 10 10 GLU N N 10 120.294 122.301 -2.007 1 1 23 . 8 1 1 A 10 10 GLU H H 10 8.237 8.656 -0.419 1 1 24 . 8 1 1 A 10 10 GLU CA C 10 56.821 55.271 1.550 1 1 25 . 8 1 1 A 10 10 GLU HA H 10 4.205 4.548 -0.343 1 1 26 . 8 1 1 A 10 10 GLU CB C 10 30.426 29.023 1.403 1 1 32 . 8 1 1 A 10 10 GLU C C 10 176.322 175.186 1.136 1 1 33 . 8 1 1 A 11 11 ARG N N 11 121.374 122.691 -1.317 1 1 34 . 8 1 1 A 11 11 ARG H H 11 8.295 7.448 0.847 1 1 35 . 8 1 1 A 11 11 ARG CA C 11 53.547 53.752 -0.205 1 1 36 . 8 1 1 A 11 11 ARG HA H 11 4.539 4.812 -0.273 1 1 37 . 8 1 1 A 11 11 ARG CB C 11 30.672 30.561 0.111 1 1 45 . 8 1 1 A 11 11 ARG C C 11 173.550 174.824 -1.274 1 1 46 . 8 1 1 A 12 12 PRO CA C 12 63.252 64.496 -1.244 1 1 47 . 8 1 1 A 12 12 PRO HA H 12 4.335 4.399 -0.064 1 1 48 . 8 1 1 A 12 12 PRO CB C 12 32.315 31.612 0.703 1 1 57 . 8 1 1 A 12 12 PRO C C 12 176.312 175.723 0.589 1 1 58 . 8 1 1 A 13 13 TYR N N 13 119.535 118.126 1.409 1 1 59 . 8 1 1 A 13 13 TYR H H 13 8.022 7.478 0.544 1 1 60 . 8 1 1 A 13 13 TYR CA C 13 57.666 57.171 0.495 1 1 61 . 8 1 1 A 13 13 TYR HA H 13 4.597 5.106 -0.509 1 1 62 . 8 1 1 A 13 13 TYR CB C 13 38.476 40.373 -1.897 1 1 73 . 8 1 1 A 13 13 TYR C C 13 174.475 175.184 -0.709 1 1 74 . 8 1 1 A 14 14 ILE N N 14 124.578 123.448 1.130 1 1 75 . 8 1 1 A 14 14 ILE H H 14 8.338 8.800 -0.462 1 1 76 . 8 1 1 A 14 14 ILE CA C 14 59.714 60.421 -0.707 1 1 77 . 8 1 1 A 14 14 ILE HA H 14 4.675 4.930 -0.255 1 1 78 . 8 1 1 A 14 14 ILE CB C 14 40.638 41.211 -0.573 1 1 91 . 8 1 1 A 14 14 ILE C C 14 175.750 175.407 0.343 1 1 92 . 8 1 1 A 15 15 CYS N N 15 128.935 127.342 1.593 1 1 93 . 8 1 1 A 15 15 CYS H H 15 9.278 9.147 0.131 1 1 94 . 8 1 1 A 15 15 CYS CA C 15 59.752 60.496 -0.744 1 1 95 . 8 1 1 A 15 15 CYS HA H 15 4.624 4.438 0.186 1 1 96 . 8 1 1 A 15 15 CYS CB C 15 29.428 28.997 0.431 1 1 99 . 8 1 1 A 15 15 CYS C C 15 177.330 176.047 1.283 1 1 100 . 8 1 1 A 16 16 THR N N 16 124.216 122.921 1.295 1 1 101 . 8 1 1 A 16 16 THR H H 16 8.902 9.001 -0.099 1 1 102 . 8 1 1 A 16 16 THR CA C 16 64.298 63.627 0.671 1 1 103 . 8 1 1 A 16 16 THR HA H 16 4.130 4.372 -0.242 1 1 104 . 8 1 1 A 16 16 THR CB C 16 68.664 69.467 -0.803 1 1 110 . 8 1 1 A 16 16 THR C C 16 174.750 176.421 -1.671 1 1 111 . 8 1 1 A 17 17 VAL N N 17 123.592 119.683 3.909 1 1 112 . 8 1 1 A 17 17 VAL H H 17 8.618 7.677 0.941 1 1 113 . 8 1 1 A 17 17 VAL CA C 17 65.222 66.386 -1.164 1 1 114 . 8 1 1 A 17 17 VAL HA H 17 3.795 3.517 0.278 1 1 115 . 8 1 1 A 17 17 VAL CB C 17 32.714 31.563 1.151 1 1 125 . 8 1 1 A 17 17 VAL C C 17 177.090 177.251 -0.161 1 1 126 . 8 1 1 A 18 18 CYS N N 18 115.099 115.147 -0.048 1 1 127 . 8 1 1 A 18 18 CYS H H 18 7.957 7.364 0.593 1 1 128 . 8 1 1 A 18 18 CYS CA C 18 58.176 59.688 -1.512 1 1 129 . 8 1 1 A 18 18 CYS HA H 18 5.159 4.566 0.593 1 1 130 . 8 1 1 A 18 18 CYS CB C 18 32.806 29.561 3.245 1 1 133 . 8 1 1 A 18 18 CYS C C 18 176.462 175.253 1.209 1 1 134 . 8 1 1 A 19 19 GLY N N 19 113.815 110.203 3.612 1 1 135 . 8 1 1 A 19 19 GLY H H 19 8.183 8.049 0.134 1 1 136 . 8 1 1 A 19 19 GLY CA C 19 46.160 45.219 0.941 1 1 137 . 8 1 1 A 19 19 GLY HA2 H 19 4.209 4.068 0.141 1 1 138 . 8 1 1 A 19 19 GLY HA3 H 19 3.748 4.076 -0.328 1 1 139 . 8 1 1 A 19 19 GLY C C 19 173.546 174.390 -0.844 1 1 140 . 8 1 1 A 20 20 LYS N N 20 123.111 121.151 1.960 1 1 141 . 8 1 1 A 20 20 LYS H H 20 7.986 7.840 0.146 1 1 142 . 8 1 1 A 20 20 LYS CA C 20 58.320 54.971 3.349 1 1 143 . 8 1 1 A 20 20 LYS HA H 20 3.936 4.694 -0.758 1 1 144 . 8 1 1 A 20 20 LYS CB C 20 33.685 34.464 -0.779 1 1 156 . 8 1 1 A 20 20 LYS C C 20 173.419 174.998 -1.579 1 1 157 . 8 1 1 A 21 21 ALA N N 21 124.165 126.498 -2.333 1 1 158 . 8 1 1 A 21 21 ALA H H 21 7.779 8.380 -0.601 1 1 159 . 8 1 1 A 21 21 ALA CA C 21 50.486 49.993 0.493 1 1 160 . 8 1 1 A 21 21 ALA HA H 21 5.105 5.549 -0.444 1 1 161 . 8 1 1 A 21 21 ALA CB C 21 22.458 22.517 -0.059 1 1 165 . 8 1 1 A 21 21 ALA C C 21 176.756 175.256 1.500 1 1 166 . 8 1 1 A 22 22 PHE N N 22 118.244 118.313 -0.069 1 1 167 . 8 1 1 A 22 22 PHE H H 22 8.986 8.997 -0.011 1 1 168 . 8 1 1 A 22 22 PHE CA C 22 57.418 56.815 0.603 1 1 169 . 8 1 1 A 22 22 PHE HA H 22 4.717 4.827 -0.110 1 1 170 . 8 1 1 A 22 22 PHE CB C 22 43.231 42.594 0.637 1 1 183 . 8 1 1 A 22 22 PHE C C 22 175.604 175.974 -0.370 1 1 184 . 8 1 1 A 23 23 THR N N 23 112.986 115.891 -2.905 1 1 185 . 8 1 1 A 23 23 THR H H 23 8.941 8.769 0.172 1 1 186 . 8 1 1 A 23 23 THR CA C 23 63.847 65.846 -1.999 1 1 187 . 8 1 1 A 23 23 THR HA H 23 4.470 4.208 0.262 1 1 188 . 8 1 1 A 23 23 THR CB C 23 69.556 68.946 0.610 1 1 194 . 8 1 1 A 23 23 THR C C 23 174.032 174.971 -0.939 1 1 195 . 8 1 1 A 24 24 ASP N N 24 118.330 121.050 -2.720 1 1 196 . 8 1 1 A 24 24 ASP H H 24 7.637 8.212 -0.575 1 1 197 . 8 1 1 A 24 24 ASP CA C 24 52.811 53.621 -0.810 1 1 198 . 8 1 1 A 24 24 ASP HA H 24 4.808 4.967 -0.159 1 1 199 . 8 1 1 A 24 24 ASP CB C 24 43.632 41.802 1.830 1 1 202 . 8 1 1 A 24 24 ASP C C 24 175.092 176.385 -1.293 1 1 203 . 8 1 1 A 25 25 ARG N N 25 124.562 126.011 -1.449 1 1 204 . 8 1 1 A 25 25 ARG H H 25 8.384 8.605 -0.221 1 1 205 . 8 1 1 A 25 25 ARG CA C 25 59.227 59.470 -0.243 1 1 206 . 8 1 1 A 25 25 ARG HA H 25 3.139 2.983 0.156 1 1 207 . 8 1 1 A 25 25 ARG CB C 25 29.797 29.480 0.317 1 1 216 . 8 1 1 A 25 25 ARG C C 25 177.768 177.777 -0.009 1 1 217 . 8 1 1 A 26 26 SER N N 26 114.310 113.880 0.430 1 1 218 . 8 1 1 A 26 26 SER H H 26 8.404 7.898 0.506 1 1 219 . 8 1 1 A 26 26 SER CA C 26 61.865 61.762 0.103 1 1 220 . 8 1 1 A 26 26 SER HA H 26 3.981 3.996 -0.015 1 1 221 . 8 1 1 A 26 26 SER CB C 26 62.116 62.984 -0.868 1 1 224 . 8 1 1 A 26 26 SER C C 26 177.339 177.027 0.312 1 1 225 . 8 1 1 A 27 27 ASN N N 27 120.170 119.571 0.599 1 1 226 . 8 1 1 A 27 27 ASN H H 27 8.024 8.362 -0.338 1 1 227 . 8 1 1 A 27 27 ASN CA C 27 55.713 56.309 -0.596 1 1 228 . 8 1 1 A 27 27 ASN HA H 27 4.426 4.286 0.140 1 1 229 . 8 1 1 A 27 27 ASN CB C 27 38.343 38.007 0.336 1 1 235 . 8 1 1 A 27 27 ASN C C 27 177.564 177.747 -0.183 1 1 236 . 8 1 1 A 28 28 LEU N N 28 123.285 120.880 2.405 1 1 237 . 8 1 1 A 28 28 LEU H H 28 7.047 7.715 -0.668 1 1 238 . 8 1 1 A 28 28 LEU CA C 28 58.259 58.002 0.257 1 1 239 . 8 1 1 A 28 28 LEU HA H 28 3.147 2.860 0.287 1 1 240 . 8 1 1 A 28 28 LEU CB C 28 40.313 41.407 -1.094 1 1 253 . 8 1 1 A 28 28 LEU C C 28 177.394 178.311 -0.917 1 1 254 . 8 1 1 A 29 29 ILE N N 29 119.714 119.929 -0.215 1 1 255 . 8 1 1 A 29 29 ILE H H 29 8.148 7.794 0.354 1 1 256 . 8 1 1 A 29 29 ILE CA C 29 64.564 65.484 -0.920 1 1 257 . 8 1 1 A 29 29 ILE HA H 29 3.692 3.442 0.250 1 1 258 . 8 1 1 A 29 29 ILE CB C 29 37.503 37.721 -0.218 1 1 271 . 8 1 1 A 29 29 ILE C C 29 179.034 178.234 0.800 1 1 272 . 8 1 1 A 30 30 LYS N N 30 118.869 121.052 -2.183 1 1 273 . 8 1 1 A 30 30 LYS H H 30 7.539 7.998 -0.459 1 1 274 . 8 1 1 A 30 30 LYS CA C 30 59.707 58.857 0.850 1 1 275 . 8 1 1 A 30 30 LYS HA H 30 3.917 3.955 -0.038 1 1 276 . 8 1 1 A 30 30 LYS CB C 30 32.807 31.918 0.889 1 1 288 . 8 1 1 A 30 30 LYS C C 30 179.031 179.062 -0.031 1 1 289 . 8 1 1 A 31 31 HIS N N 31 118.737 119.518 -0.781 1 1 290 . 8 1 1 A 31 31 HIS H H 31 7.554 8.103 -0.549 1 1 291 . 8 1 1 A 31 31 HIS CA C 31 59.020 59.723 -0.703 1 1 292 . 8 1 1 A 31 31 HIS HA H 31 4.175 4.157 0.018 1 1 293 . 8 1 1 A 31 31 HIS CB C 31 28.480 29.590 -1.110 1 1 300 . 8 1 1 A 31 31 HIS C C 31 176.197 177.490 -1.293 1 1 301 . 8 1 1 A 32 32 GLN N N 32 115.420 118.527 -3.107 1 1 302 . 8 1 1 A 32 32 GLN H H 32 8.379 8.266 0.113 1 1 303 . 8 1 1 A 32 32 GLN CA C 32 59.377 58.661 0.716 1 1 304 . 8 1 1 A 32 32 GLN HA H 32 3.642 3.903 -0.261 1 1 305 . 8 1 1 A 32 32 GLN CB C 32 28.253 28.451 -0.198 1 1 314 . 8 1 1 A 32 32 GLN C C 32 177.510 178.136 -0.626 1 1 315 . 8 1 1 A 33 33 LYS N N 33 117.483 118.852 -1.369 1 1 316 . 8 1 1 A 33 33 LYS H H 33 7.088 7.775 -0.687 1 1 317 . 8 1 1 A 33 33 LYS CA C 33 58.393 58.193 0.200 1 1 318 . 8 1 1 A 33 33 LYS HA H 33 4.094 4.062 0.032 1 1 319 . 8 1 1 A 33 33 LYS CB C 33 32.312 32.218 0.094 1 1 331 . 8 1 1 A 33 33 LYS C C 33 178.685 178.888 -0.203 1 1 332 . 8 1 1 A 34 34 ILE N N 34 116.168 115.433 0.735 1 1 333 . 8 1 1 A 34 34 ILE H H 34 7.815 7.525 0.290 1 1 334 . 8 1 1 A 34 34 ILE CA C 34 63.019 63.918 -0.899 1 1 335 . 8 1 1 A 34 34 ILE HA H 34 3.979 3.805 0.174 1 1 336 . 8 1 1 A 34 34 ILE CB C 34 37.697 36.814 0.883 1 1 349 . 8 1 1 A 34 34 ILE C C 34 177.346 176.832 0.514 1 1 350 . 8 1 1 A 35 35 HIS N N 35 117.330 119.384 -2.054 1 1 351 . 8 1 1 A 35 35 HIS H H 35 7.193 7.329 -0.136 1 1 352 . 8 1 1 A 35 35 HIS CA C 35 54.932 57.169 -2.237 1 1 353 . 8 1 1 A 35 35 HIS HA H 35 4.916 4.490 0.426 1 1 354 . 8 1 1 A 35 35 HIS CB C 35 28.387 30.265 -1.878 1 1 361 . 8 1 1 A 35 35 HIS C C 35 175.585 175.193 0.392 1 1 362 . 8 1 1 A 36 36 THR N N 36 112.446 110.610 1.836 1 1 363 . 8 1 1 A 36 36 THR H H 36 7.752 7.186 0.566 1 1 364 . 8 1 1 A 36 36 THR CA C 36 62.671 61.440 1.231 1 1 365 . 8 1 1 A 36 36 THR HA H 36 4.329 4.286 0.043 1 1 366 . 8 1 1 A 36 36 THR CB C 36 69.763 69.256 0.507 1 1 372 . 8 1 1 A 36 36 THR C C 36 175.346 174.986 0.360 1 1 373 . 8 1 1 A 37 37 GLY N N 37 110.884 113.499 -2.615 1 1 374 . 8 1 1 A 37 37 GLY H H 37 8.312 9.125 -0.813 1 1 375 . 8 1 1 A 37 37 GLY CA C 37 45.315 46.321 -1.006 1 1 376 . 8 1 1 A 37 37 GLY HA2 H 37 3.987 3.960 0.027 1 1 377 . 8 1 1 A 37 37 GLY HA3 H 37 3.987 3.966 0.021 1 1 378 . 8 1 1 A 37 37 GLY C C 37 174.024 175.332 -1.308 1 1 379 . 8 1 1 A 38 38 GLU N N 38 120.586 121.342 -0.756 1 1 380 . 8 1 1 A 38 38 GLU H H 38 8.084 7.975 0.109 1 1 381 . 8 1 1 A 38 38 GLU CA C 38 56.427 59.540 -3.113 1 1 382 . 8 1 1 A 38 38 GLU HA H 38 4.248 3.998 0.250 1 1 383 . 8 1 1 A 38 38 GLU CB C 38 30.573 29.872 0.701 1 1 389 . 8 1 1 A 38 38 GLU C C 38 176.226 175.914 0.312 1 1 390 . 8 1 1 A 39 39 LYS N N 39 123.823 113.713 10.110 1 1 391 . 8 1 1 A 39 39 LYS H H 39 8.425 7.532 0.893 1 1 392 . 8 1 1 A 39 39 LYS CA C 39 54.118 54.252 -0.134 1 1 393 . 8 1 1 A 39 39 LYS HA H 39 4.604 4.813 -0.209 1 1 394 . 8 1 1 A 39 39 LYS CB C 39 32.536 34.987 -2.451 1 1 406 . 8 1 1 A 39 39 LYS C C 39 174.461 175.907 -1.446 1 1 407 . 8 1 1 A 40 40 PRO CA C 40 63.231 63.900 -0.669 1 1 408 . 8 1 1 A 40 40 PRO HA H 40 4.460 4.498 -0.038 1 1 409 . 8 1 1 A 40 40 PRO CB C 40 32.200 31.732 0.468 1 1 418 . 8 1 1 A 40 40 PRO C C 40 176.951 175.368 1.583 1 1 419 . 8 1 1 A 41 41 SER N N 41 116.497 110.621 5.876 1 1 420 . 8 1 1 A 41 41 SER H H 41 8.475 7.600 0.875 1 1 421 . 8 1 1 A 41 41 SER CA C 41 58.375 57.111 1.264 1 1 422 . 8 1 1 A 41 41 SER HA H 41 4.491 4.736 -0.245 1 1 423 . 8 1 1 A 41 41 SER CB C 41 63.953 65.042 -1.089 1 1 425 . 8 1 1 A 41 41 SER C C 41 174.588 174.417 0.171 1 1 426 . 8 1 1 A 42 42 GLY CA C 42 44.665 46.991 -2.326 1 1 427 . 8 1 1 A 42 42 GLY HA2 H 42 4.111 3.814 0.297 1 1 428 . 8 1 1 A 42 42 GLY HA3 H 42 4.153 3.815 0.338 1 1 429 . 8 1 1 A 43 43 PRO CA C 43 63.238 62.824 0.414 1 1 430 . 8 1 1 A 43 43 PRO HA H 43 4.467 4.535 -0.068 1 1 431 . 8 1 1 A 43 43 PRO CB C 43 32.174 32.126 0.048 1 1 440 . 8 1 1 A 45 45 SER CA C 45 58.360 59.402 -1.042 1 1 441 . 8 1 1 A 45 45 SER HA H 45 4.482 4.342 0.140 1 1 442 . 8 1 1 A 45 45 SER CB C 45 64.038 63.217 0.821 1 1 445 . 8 1 1 A 45 45 SER C C 45 173.890 175.148 -1.258 1 1 1 . 9 1 1 A 7 7 GLY CA C 7 45.428 46.557 -1.129 1 1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.031 3.899 0.132 1 1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.031 3.911 0.120 1 1 4 . 9 1 1 A 7 7 GLY C C 7 174.504 173.439 1.065 1 1 5 . 9 1 1 A 8 8 THR N N 8 112.847 112.521 0.326 1 1 6 . 9 1 1 A 8 8 THR H H 8 8.154 7.635 0.519 1 1 7 . 9 1 1 A 8 8 THR CA C 8 61.882 60.150 1.732 1 1 8 . 9 1 1 A 8 8 THR HA H 8 4.361 4.770 -0.409 1 1 9 . 9 1 1 A 8 8 THR CB C 8 69.841 70.309 -0.468 1 1 15 . 9 1 1 A 8 8 THR C C 8 175.257 172.713 2.544 1 1 16 . 9 1 1 A 9 9 GLY N N 9 110.940 113.370 -2.430 1 1 17 . 9 1 1 A 9 9 GLY H H 9 8.452 8.411 0.041 1 1 18 . 9 1 1 A 9 9 GLY CA C 9 45.278 45.501 -0.223 1 1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.920 3.942 -0.022 1 1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.920 3.944 -0.024 1 1 21 . 9 1 1 A 9 9 GLY C C 9 174.062 175.730 -1.668 1 1 22 . 9 1 1 A 10 10 GLU N N 10 120.294 118.454 1.840 1 1 23 . 9 1 1 A 10 10 GLU H H 10 8.237 8.398 -0.161 1 1 24 . 9 1 1 A 10 10 GLU CA C 10 56.821 56.923 -0.102 1 1 25 . 9 1 1 A 10 10 GLU HA H 10 4.205 4.404 -0.199 1 1 26 . 9 1 1 A 10 10 GLU CB C 10 30.426 30.760 -0.334 1 1 32 . 9 1 1 A 10 10 GLU C C 10 176.322 176.617 -0.295 1 1 33 . 9 1 1 A 11 11 ARG N N 11 121.374 119.830 1.544 1 1 34 . 9 1 1 A 11 11 ARG H H 11 8.295 7.387 0.908 1 1 35 . 9 1 1 A 11 11 ARG CA C 11 53.547 54.830 -1.283 1 1 36 . 9 1 1 A 11 11 ARG HA H 11 4.539 4.407 0.132 1 1 37 . 9 1 1 A 11 11 ARG CB C 11 30.672 29.819 0.853 1 1 45 . 9 1 1 A 11 11 ARG C C 11 173.550 176.289 -2.739 1 1 46 . 9 1 1 A 12 12 PRO CA C 12 63.252 64.945 -1.693 1 1 47 . 9 1 1 A 12 12 PRO HA H 12 4.335 4.235 0.100 1 1 48 . 9 1 1 A 12 12 PRO CB C 12 32.315 31.454 0.861 1 1 57 . 9 1 1 A 12 12 PRO C C 12 176.312 175.831 0.481 1 1 58 . 9 1 1 A 13 13 TYR N N 13 119.535 118.372 1.163 1 1 59 . 9 1 1 A 13 13 TYR H H 13 8.022 7.612 0.410 1 1 60 . 9 1 1 A 13 13 TYR CA C 13 57.666 57.514 0.152 1 1 61 . 9 1 1 A 13 13 TYR HA H 13 4.597 4.995 -0.398 1 1 62 . 9 1 1 A 13 13 TYR CB C 13 38.476 40.779 -2.303 1 1 73 . 9 1 1 A 13 13 TYR C C 13 174.475 175.533 -1.058 1 1 74 . 9 1 1 A 14 14 ILE N N 14 124.578 121.078 3.500 1 1 75 . 9 1 1 A 14 14 ILE H H 14 8.338 8.753 -0.415 1 1 76 . 9 1 1 A 14 14 ILE CA C 14 59.714 60.537 -0.823 1 1 77 . 9 1 1 A 14 14 ILE HA H 14 4.675 4.897 -0.222 1 1 78 . 9 1 1 A 14 14 ILE CB C 14 40.638 41.456 -0.818 1 1 91 . 9 1 1 A 14 14 ILE C C 14 175.750 175.132 0.618 1 1 92 . 9 1 1 A 15 15 CYS N N 15 128.935 127.250 1.685 1 1 93 . 9 1 1 A 15 15 CYS H H 15 9.278 9.412 -0.134 1 1 94 . 9 1 1 A 15 15 CYS CA C 15 59.752 59.959 -0.207 1 1 95 . 9 1 1 A 15 15 CYS HA H 15 4.624 4.615 0.009 1 1 96 . 9 1 1 A 15 15 CYS CB C 15 29.428 28.619 0.809 1 1 99 . 9 1 1 A 15 15 CYS C C 15 177.330 176.575 0.755 1 1 100 . 9 1 1 A 16 16 THR N N 16 124.216 118.984 5.232 1 1 101 . 9 1 1 A 16 16 THR H H 16 8.902 8.765 0.137 1 1 102 . 9 1 1 A 16 16 THR CA C 16 64.298 62.249 2.049 1 1 103 . 9 1 1 A 16 16 THR HA H 16 4.130 4.413 -0.283 1 1 104 . 9 1 1 A 16 16 THR CB C 16 68.664 68.660 0.004 1 1 110 . 9 1 1 A 16 16 THR C C 16 174.750 173.759 0.991 1 1 111 . 9 1 1 A 17 17 VAL N N 17 123.592 119.280 4.312 1 1 112 . 9 1 1 A 17 17 VAL H H 17 8.618 7.963 0.655 1 1 113 . 9 1 1 A 17 17 VAL CA C 17 65.222 63.590 1.632 1 1 114 . 9 1 1 A 17 17 VAL HA H 17 3.795 4.151 -0.356 1 1 115 . 9 1 1 A 17 17 VAL CB C 17 32.714 33.896 -1.182 1 1 125 . 9 1 1 A 17 17 VAL C C 17 177.090 177.263 -0.173 1 1 126 . 9 1 1 A 18 18 CYS N N 18 115.099 115.375 -0.276 1 1 127 . 9 1 1 A 18 18 CYS H H 18 7.957 8.041 -0.084 1 1 128 . 9 1 1 A 18 18 CYS CA C 18 58.176 59.372 -1.196 1 1 129 . 9 1 1 A 18 18 CYS HA H 18 5.159 4.632 0.527 1 1 130 . 9 1 1 A 18 18 CYS CB C 18 32.806 30.080 2.726 1 1 133 . 9 1 1 A 18 18 CYS C C 18 176.462 175.456 1.006 1 1 134 . 9 1 1 A 19 19 GLY N N 19 113.815 110.303 3.512 1 1 135 . 9 1 1 A 19 19 GLY H H 19 8.183 7.790 0.393 1 1 136 . 9 1 1 A 19 19 GLY CA C 19 46.160 45.372 0.788 1 1 137 . 9 1 1 A 19 19 GLY HA2 H 19 4.209 4.063 0.146 1 1 138 . 9 1 1 A 19 19 GLY HA3 H 19 3.748 4.072 -0.324 1 1 139 . 9 1 1 A 19 19 GLY C C 19 173.546 174.317 -0.771 1 1 140 . 9 1 1 A 20 20 LYS N N 20 123.111 120.716 2.395 1 1 141 . 9 1 1 A 20 20 LYS H H 20 7.986 7.802 0.184 1 1 142 . 9 1 1 A 20 20 LYS CA C 20 58.320 54.740 3.580 1 1 143 . 9 1 1 A 20 20 LYS HA H 20 3.936 4.711 -0.775 1 1 144 . 9 1 1 A 20 20 LYS CB C 20 33.685 35.266 -1.581 1 1 156 . 9 1 1 A 20 20 LYS C C 20 173.419 174.847 -1.428 1 1 157 . 9 1 1 A 21 21 ALA N N 21 124.165 125.869 -1.704 1 1 158 . 9 1 1 A 21 21 ALA H H 21 7.779 8.468 -0.689 1 1 159 . 9 1 1 A 21 21 ALA CA C 21 50.486 49.779 0.707 1 1 160 . 9 1 1 A 21 21 ALA HA H 21 5.105 5.577 -0.472 1 1 161 . 9 1 1 A 21 21 ALA CB C 21 22.458 22.860 -0.402 1 1 165 . 9 1 1 A 21 21 ALA C C 21 176.756 175.315 1.441 1 1 166 . 9 1 1 A 22 22 PHE N N 22 118.244 116.930 1.314 1 1 167 . 9 1 1 A 22 22 PHE H H 22 8.986 8.269 0.717 1 1 168 . 9 1 1 A 22 22 PHE CA C 22 57.418 56.733 0.685 1 1 169 . 9 1 1 A 22 22 PHE HA H 22 4.717 4.910 -0.193 1 1 170 . 9 1 1 A 22 22 PHE CB C 22 43.231 42.803 0.428 1 1 183 . 9 1 1 A 22 22 PHE C C 22 175.604 175.733 -0.129 1 1 184 . 9 1 1 A 23 23 THR N N 23 112.986 117.971 -4.985 1 1 185 . 9 1 1 A 23 23 THR H H 23 8.941 9.075 -0.134 1 1 186 . 9 1 1 A 23 23 THR CA C 23 63.847 66.480 -2.633 1 1 187 . 9 1 1 A 23 23 THR HA H 23 4.470 4.133 0.337 1 1 188 . 9 1 1 A 23 23 THR CB C 23 69.556 69.024 0.532 1 1 194 . 9 1 1 A 23 23 THR C C 23 174.032 174.768 -0.736 1 1 195 . 9 1 1 A 24 24 ASP N N 24 118.330 119.916 -1.586 1 1 196 . 9 1 1 A 24 24 ASP H H 24 7.637 8.077 -0.440 1 1 197 . 9 1 1 A 24 24 ASP CA C 24 52.811 54.130 -1.319 1 1 198 . 9 1 1 A 24 24 ASP HA H 24 4.808 4.947 -0.139 1 1 199 . 9 1 1 A 24 24 ASP CB C 24 43.632 42.658 0.974 1 1 202 . 9 1 1 A 24 24 ASP C C 24 175.092 176.450 -1.358 1 1 203 . 9 1 1 A 25 25 ARG N N 25 124.562 125.957 -1.395 1 1 204 . 9 1 1 A 25 25 ARG H H 25 8.384 8.747 -0.363 1 1 205 . 9 1 1 A 25 25 ARG CA C 25 59.227 58.747 0.480 1 1 206 . 9 1 1 A 25 25 ARG HA H 25 3.139 3.111 0.028 1 1 207 . 9 1 1 A 25 25 ARG CB C 25 29.797 29.038 0.759 1 1 216 . 9 1 1 A 25 25 ARG C C 25 177.768 177.387 0.381 1 1 217 . 9 1 1 A 26 26 SER N N 26 114.310 114.183 0.127 1 1 218 . 9 1 1 A 26 26 SER H H 26 8.404 7.239 1.165 1 1 219 . 9 1 1 A 26 26 SER CA C 26 61.865 61.576 0.289 1 1 220 . 9 1 1 A 26 26 SER HA H 26 3.981 4.021 -0.040 1 1 221 . 9 1 1 A 26 26 SER CB C 26 62.116 63.115 -0.999 1 1 224 . 9 1 1 A 26 26 SER C C 26 177.339 176.994 0.345 1 1 225 . 9 1 1 A 27 27 ASN N N 27 120.170 119.172 0.998 1 1 226 . 9 1 1 A 27 27 ASN H H 27 8.024 8.283 -0.259 1 1 227 . 9 1 1 A 27 27 ASN CA C 27 55.713 56.806 -1.093 1 1 228 . 9 1 1 A 27 27 ASN HA H 27 4.426 4.389 0.037 1 1 229 . 9 1 1 A 27 27 ASN CB C 27 38.343 39.894 -1.551 1 1 235 . 9 1 1 A 27 27 ASN C C 27 177.564 177.170 0.394 1 1 236 . 9 1 1 A 28 28 LEU N N 28 123.285 119.583 3.702 1 1 237 . 9 1 1 A 28 28 LEU H H 28 7.047 7.189 -0.142 1 1 238 . 9 1 1 A 28 28 LEU CA C 28 58.259 57.805 0.454 1 1 239 . 9 1 1 A 28 28 LEU HA H 28 3.147 3.173 -0.026 1 1 240 . 9 1 1 A 28 28 LEU CB C 28 40.313 41.175 -0.862 1 1 253 . 9 1 1 A 28 28 LEU C C 28 177.394 178.080 -0.686 1 1 254 . 9 1 1 A 29 29 ILE N N 29 119.714 119.883 -0.169 1 1 255 . 9 1 1 A 29 29 ILE H H 29 8.148 7.864 0.284 1 1 256 . 9 1 1 A 29 29 ILE CA C 29 64.564 65.558 -0.994 1 1 257 . 9 1 1 A 29 29 ILE HA H 29 3.692 3.391 0.301 1 1 258 . 9 1 1 A 29 29 ILE CB C 29 37.503 37.542 -0.039 1 1 271 . 9 1 1 A 29 29 ILE C C 29 179.034 177.966 1.068 1 1 272 . 9 1 1 A 30 30 LYS N N 30 118.869 120.829 -1.960 1 1 273 . 9 1 1 A 30 30 LYS H H 30 7.539 7.793 -0.254 1 1 274 . 9 1 1 A 30 30 LYS CA C 30 59.707 58.730 0.977 1 1 275 . 9 1 1 A 30 30 LYS HA H 30 3.917 3.919 -0.002 1 1 276 . 9 1 1 A 30 30 LYS CB C 30 32.807 31.679 1.128 1 1 288 . 9 1 1 A 30 30 LYS C C 30 179.031 178.916 0.115 1 1 289 . 9 1 1 A 31 31 HIS N N 31 118.737 119.607 -0.870 1 1 290 . 9 1 1 A 31 31 HIS H H 31 7.554 7.980 -0.426 1 1 291 . 9 1 1 A 31 31 HIS CA C 31 59.020 59.322 -0.302 1 1 292 . 9 1 1 A 31 31 HIS HA H 31 4.175 4.134 0.041 1 1 293 . 9 1 1 A 31 31 HIS CB C 31 28.480 29.623 -1.143 1 1 300 . 9 1 1 A 31 31 HIS C C 31 176.197 177.613 -1.416 1 1 301 . 9 1 1 A 32 32 GLN N N 32 115.420 118.108 -2.688 1 1 302 . 9 1 1 A 32 32 GLN H H 32 8.379 8.605 -0.226 1 1 303 . 9 1 1 A 32 32 GLN CA C 32 59.377 58.758 0.619 1 1 304 . 9 1 1 A 32 32 GLN HA H 32 3.642 3.885 -0.243 1 1 305 . 9 1 1 A 32 32 GLN CB C 32 28.253 28.293 -0.040 1 1 314 . 9 1 1 A 32 32 GLN C C 32 177.510 178.523 -1.013 1 1 315 . 9 1 1 A 33 33 LYS N N 33 117.483 119.287 -1.804 1 1 316 . 9 1 1 A 33 33 LYS H H 33 7.088 7.773 -0.685 1 1 317 . 9 1 1 A 33 33 LYS CA C 33 58.393 58.797 -0.404 1 1 318 . 9 1 1 A 33 33 LYS HA H 33 4.094 3.950 0.144 1 1 319 . 9 1 1 A 33 33 LYS CB C 33 32.312 31.655 0.657 1 1 331 . 9 1 1 A 33 33 LYS C C 33 178.685 179.317 -0.632 1 1 332 . 9 1 1 A 34 34 ILE N N 34 116.168 116.259 -0.091 1 1 333 . 9 1 1 A 34 34 ILE H H 34 7.815 7.667 0.148 1 1 334 . 9 1 1 A 34 34 ILE CA C 34 63.019 63.666 -0.647 1 1 335 . 9 1 1 A 34 34 ILE HA H 34 3.979 3.774 0.205 1 1 336 . 9 1 1 A 34 34 ILE CB C 34 37.697 36.978 0.719 1 1 349 . 9 1 1 A 34 34 ILE C C 34 177.346 176.545 0.801 1 1 350 . 9 1 1 A 35 35 HIS N N 35 117.330 119.293 -1.963 1 1 351 . 9 1 1 A 35 35 HIS H H 35 7.193 7.399 -0.206 1 1 352 . 9 1 1 A 35 35 HIS CA C 35 54.932 55.572 -0.640 1 1 353 . 9 1 1 A 35 35 HIS HA H 35 4.916 4.616 0.300 1 1 354 . 9 1 1 A 35 35 HIS CB C 35 28.387 29.095 -0.708 1 1 361 . 9 1 1 A 35 35 HIS C C 35 175.585 175.630 -0.045 1 1 362 . 9 1 1 A 36 36 THR N N 36 112.446 110.217 2.229 1 1 363 . 9 1 1 A 36 36 THR H H 36 7.752 7.637 0.115 1 1 364 . 9 1 1 A 36 36 THR CA C 36 62.671 61.365 1.306 1 1 365 . 9 1 1 A 36 36 THR HA H 36 4.329 4.329 0.000 1 1 366 . 9 1 1 A 36 36 THR CB C 36 69.763 68.483 1.280 1 1 372 . 9 1 1 A 36 36 THR C C 36 175.346 173.690 1.656 1 1 373 . 9 1 1 A 37 37 GLY N N 37 110.884 110.631 0.253 1 1 374 . 9 1 1 A 37 37 GLY H H 37 8.312 7.855 0.457 1 1 375 . 9 1 1 A 37 37 GLY CA C 37 45.315 44.049 1.266 1 1 376 . 9 1 1 A 37 37 GLY HA2 H 37 3.987 4.265 -0.278 1 1 377 . 9 1 1 A 37 37 GLY HA3 H 37 3.987 4.269 -0.282 1 1 378 . 9 1 1 A 37 37 GLY C C 37 174.024 172.329 1.695 1 1 379 . 9 1 1 A 38 38 GLU N N 38 120.586 119.947 0.639 1 1 380 . 9 1 1 A 38 38 GLU H H 38 8.084 8.480 -0.396 1 1 381 . 9 1 1 A 38 38 GLU CA C 38 56.427 55.774 0.653 1 1 382 . 9 1 1 A 38 38 GLU HA H 38 4.248 4.690 -0.442 1 1 383 . 9 1 1 A 38 38 GLU CB C 38 30.573 31.841 -1.268 1 1 389 . 9 1 1 A 38 38 GLU C C 38 176.226 176.034 0.192 1 1 390 . 9 1 1 A 39 39 LYS N N 39 123.823 120.334 3.489 1 1 391 . 9 1 1 A 39 39 LYS H H 39 8.425 8.691 -0.266 1 1 392 . 9 1 1 A 39 39 LYS CA C 39 54.118 53.755 0.363 1 1 393 . 9 1 1 A 39 39 LYS HA H 39 4.604 4.796 -0.192 1 1 394 . 9 1 1 A 39 39 LYS CB C 39 32.536 32.462 0.074 1 1 406 . 9 1 1 A 39 39 LYS C C 39 174.461 175.644 -1.183 1 1 407 . 9 1 1 A 40 40 PRO CA C 40 63.231 62.785 0.446 1 1 408 . 9 1 1 A 40 40 PRO HA H 40 4.460 4.736 -0.276 1 1 409 . 9 1 1 A 40 40 PRO CB C 40 32.200 31.733 0.467 1 1 418 . 9 1 1 A 40 40 PRO C C 40 176.951 176.275 0.676 1 1 419 . 9 1 1 A 41 41 SER N N 41 116.497 114.081 2.416 1 1 420 . 9 1 1 A 41 41 SER H H 41 8.475 8.724 -0.249 1 1 421 . 9 1 1 A 41 41 SER CA C 41 58.375 56.457 1.918 1 1 422 . 9 1 1 A 41 41 SER HA H 41 4.491 5.258 -0.767 1 1 423 . 9 1 1 A 41 41 SER CB C 41 63.953 66.120 -2.167 1 1 425 . 9 1 1 A 41 41 SER C C 41 174.588 173.167 1.421 1 1 426 . 9 1 1 A 42 42 GLY CA C 42 44.665 44.564 0.101 1 1 427 . 9 1 1 A 42 42 GLY HA2 H 42 4.111 4.259 -0.148 1 1 428 . 9 1 1 A 42 42 GLY HA3 H 42 4.153 4.259 -0.106 1 1 429 . 9 1 1 A 43 43 PRO CA C 43 63.238 63.876 -0.638 1 1 430 . 9 1 1 A 43 43 PRO HA H 43 4.467 4.481 -0.014 1 1 431 . 9 1 1 A 43 43 PRO CB C 43 32.174 31.515 0.659 1 1 440 . 9 1 1 A 45 45 SER CA C 45 58.360 57.431 0.929 1 1 441 . 9 1 1 A 45 45 SER HA H 45 4.482 4.820 -0.338 1 1 442 . 9 1 1 A 45 45 SER CB C 45 64.038 64.324 -0.286 1 1 445 . 9 1 1 A 45 45 SER C C 45 173.890 176.013 -2.123 1 1 1 . 10 1 1 A 7 7 GLY CA C 7 45.428 45.473 -0.045 1 1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.031 4.021 0.010 1 1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.031 4.022 0.009 1 1 4 . 10 1 1 A 7 7 GLY C C 7 174.504 171.608 2.896 1 1 5 . 10 1 1 A 8 8 THR N N 8 112.847 115.654 -2.807 1 1 6 . 10 1 1 A 8 8 THR H H 8 8.154 8.623 -0.469 1 1 7 . 10 1 1 A 8 8 THR CA C 8 61.882 63.869 -1.987 1 1 8 . 10 1 1 A 8 8 THR HA H 8 4.361 4.204 0.157 1 1 9 . 10 1 1 A 8 8 THR CB C 8 69.841 68.720 1.121 1 1 15 . 10 1 1 A 8 8 THR C C 8 175.257 175.307 -0.050 1 1 16 . 10 1 1 A 9 9 GLY N N 9 110.940 112.669 -1.729 1 1 17 . 10 1 1 A 9 9 GLY H H 9 8.452 8.589 -0.137 1 1 18 . 10 1 1 A 9 9 GLY CA C 9 45.278 44.769 0.509 1 1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.920 4.010 -0.090 1 1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.920 4.011 -0.091 1 1 21 . 10 1 1 A 9 9 GLY C C 9 174.062 173.300 0.762 1 1 22 . 10 1 1 A 10 10 GLU N N 10 120.294 121.097 -0.803 1 1 23 . 10 1 1 A 10 10 GLU H H 10 8.237 8.368 -0.131 1 1 24 . 10 1 1 A 10 10 GLU CA C 10 56.821 55.607 1.214 1 1 25 . 10 1 1 A 10 10 GLU HA H 10 4.205 4.580 -0.375 1 1 26 . 10 1 1 A 10 10 GLU CB C 10 30.426 31.508 -1.082 1 1 32 . 10 1 1 A 10 10 GLU C C 10 176.322 175.989 0.333 1 1 33 . 10 1 1 A 11 11 ARG N N 11 121.374 120.496 0.878 1 1 34 . 10 1 1 A 11 11 ARG H H 11 8.295 8.642 -0.347 1 1 35 . 10 1 1 A 11 11 ARG CA C 11 53.547 53.388 0.159 1 1 36 . 10 1 1 A 11 11 ARG HA H 11 4.539 4.667 -0.128 1 1 37 . 10 1 1 A 11 11 ARG CB C 11 30.672 30.731 -0.059 1 1 45 . 10 1 1 A 11 11 ARG C C 11 173.550 176.140 -2.590 1 1 46 . 10 1 1 A 12 12 PRO CA C 12 63.252 64.932 -1.680 1 1 47 . 10 1 1 A 12 12 PRO HA H 12 4.335 4.246 0.089 1 1 48 . 10 1 1 A 12 12 PRO CB C 12 32.315 31.490 0.825 1 1 57 . 10 1 1 A 12 12 PRO C C 12 176.312 175.844 0.468 1 1 58 . 10 1 1 A 13 13 TYR N N 13 119.535 118.034 1.501 1 1 59 . 10 1 1 A 13 13 TYR H H 13 8.022 7.632 0.390 1 1 60 . 10 1 1 A 13 13 TYR CA C 13 57.666 57.255 0.411 1 1 61 . 10 1 1 A 13 13 TYR HA H 13 4.597 5.059 -0.462 1 1 62 . 10 1 1 A 13 13 TYR CB C 13 38.476 40.602 -2.126 1 1 73 . 10 1 1 A 13 13 TYR C C 13 174.475 175.073 -0.598 1 1 74 . 10 1 1 A 14 14 ILE N N 14 124.578 122.027 2.551 1 1 75 . 10 1 1 A 14 14 ILE H H 14 8.338 8.774 -0.436 1 1 76 . 10 1 1 A 14 14 ILE CA C 14 59.714 60.308 -0.594 1 1 77 . 10 1 1 A 14 14 ILE HA H 14 4.675 4.996 -0.321 1 1 78 . 10 1 1 A 14 14 ILE CB C 14 40.638 41.681 -1.043 1 1 91 . 10 1 1 A 14 14 ILE C C 14 175.750 175.176 0.574 1 1 92 . 10 1 1 A 15 15 CYS N N 15 128.935 127.350 1.585 1 1 93 . 10 1 1 A 15 15 CYS H H 15 9.278 9.338 -0.060 1 1 94 . 10 1 1 A 15 15 CYS CA C 15 59.752 60.299 -0.547 1 1 95 . 10 1 1 A 15 15 CYS HA H 15 4.624 4.533 0.091 1 1 96 . 10 1 1 A 15 15 CYS CB C 15 29.428 28.826 0.602 1 1 99 . 10 1 1 A 15 15 CYS C C 15 177.330 176.385 0.945 1 1 100 . 10 1 1 A 16 16 THR N N 16 124.216 122.945 1.271 1 1 101 . 10 1 1 A 16 16 THR H H 16 8.902 9.064 -0.162 1 1 102 . 10 1 1 A 16 16 THR CA C 16 64.298 62.366 1.932 1 1 103 . 10 1 1 A 16 16 THR HA H 16 4.130 4.505 -0.375 1 1 104 . 10 1 1 A 16 16 THR CB C 16 68.664 68.799 -0.135 1 1 110 . 10 1 1 A 16 16 THR C C 16 174.750 175.378 -0.628 1 1 111 . 10 1 1 A 17 17 VAL N N 17 123.592 120.242 3.350 1 1 112 . 10 1 1 A 17 17 VAL H H 17 8.618 7.907 0.711 1 1 113 . 10 1 1 A 17 17 VAL CA C 17 65.222 63.569 1.653 1 1 114 . 10 1 1 A 17 17 VAL HA H 17 3.795 4.113 -0.318 1 1 115 . 10 1 1 A 17 17 VAL CB C 17 32.714 33.706 -0.992 1 1 125 . 10 1 1 A 17 17 VAL C C 17 177.090 177.178 -0.088 1 1 126 . 10 1 1 A 18 18 CYS N N 18 115.099 115.261 -0.162 1 1 127 . 10 1 1 A 18 18 CYS H H 18 7.957 8.000 -0.043 1 1 128 . 10 1 1 A 18 18 CYS CA C 18 58.176 59.339 -1.163 1 1 129 . 10 1 1 A 18 18 CYS HA H 18 5.159 4.604 0.555 1 1 130 . 10 1 1 A 18 18 CYS CB C 18 32.806 29.988 2.818 1 1 133 . 10 1 1 A 18 18 CYS C C 18 176.462 175.404 1.058 1 1 134 . 10 1 1 A 19 19 GLY N N 19 113.815 110.258 3.557 1 1 135 . 10 1 1 A 19 19 GLY H H 19 8.183 8.176 0.007 1 1 136 . 10 1 1 A 19 19 GLY CA C 19 46.160 45.371 0.789 1 1 137 . 10 1 1 A 19 19 GLY HA2 H 19 4.209 4.056 0.153 1 1 138 . 10 1 1 A 19 19 GLY HA3 H 19 3.748 4.066 -0.318 1 1 139 . 10 1 1 A 19 19 GLY C C 19 173.546 174.332 -0.786 1 1 140 . 10 1 1 A 20 20 LYS N N 20 123.111 121.118 1.993 1 1 141 . 10 1 1 A 20 20 LYS H H 20 7.986 7.857 0.129 1 1 142 . 10 1 1 A 20 20 LYS CA C 20 58.320 55.005 3.315 1 1 143 . 10 1 1 A 20 20 LYS HA H 20 3.936 4.704 -0.768 1 1 144 . 10 1 1 A 20 20 LYS CB C 20 33.685 34.749 -1.064 1 1 156 . 10 1 1 A 20 20 LYS C C 20 173.419 175.272 -1.853 1 1 157 . 10 1 1 A 21 21 ALA N N 21 124.165 126.539 -2.374 1 1 158 . 10 1 1 A 21 21 ALA H H 21 7.779 8.401 -0.622 1 1 159 . 10 1 1 A 21 21 ALA CA C 21 50.486 49.866 0.620 1 1 160 . 10 1 1 A 21 21 ALA HA H 21 5.105 5.572 -0.467 1 1 161 . 10 1 1 A 21 21 ALA CB C 21 22.458 22.793 -0.335 1 1 165 . 10 1 1 A 21 21 ALA C C 21 176.756 175.510 1.246 1 1 166 . 10 1 1 A 22 22 PHE N N 22 118.244 116.665 1.579 1 1 167 . 10 1 1 A 22 22 PHE H H 22 8.986 8.383 0.603 1 1 168 . 10 1 1 A 22 22 PHE CA C 22 57.418 56.706 0.712 1 1 169 . 10 1 1 A 22 22 PHE HA H 22 4.717 4.833 -0.116 1 1 170 . 10 1 1 A 22 22 PHE CB C 22 43.231 42.869 0.362 1 1 183 . 10 1 1 A 22 22 PHE C C 22 175.604 175.855 -0.251 1 1 184 . 10 1 1 A 23 23 THR N N 23 112.986 116.690 -3.704 1 1 185 . 10 1 1 A 23 23 THR H H 23 8.941 8.754 0.187 1 1 186 . 10 1 1 A 23 23 THR CA C 23 63.847 66.267 -2.420 1 1 187 . 10 1 1 A 23 23 THR HA H 23 4.470 4.202 0.268 1 1 188 . 10 1 1 A 23 23 THR CB C 23 69.556 68.791 0.765 1 1 194 . 10 1 1 A 23 23 THR C C 23 174.032 175.031 -0.999 1 1 195 . 10 1 1 A 24 24 ASP N N 24 118.330 120.059 -1.729 1 1 196 . 10 1 1 A 24 24 ASP H H 24 7.637 8.234 -0.597 1 1 197 . 10 1 1 A 24 24 ASP CA C 24 52.811 52.786 0.025 1 1 198 . 10 1 1 A 24 24 ASP HA H 24 4.808 4.991 -0.183 1 1 199 . 10 1 1 A 24 24 ASP CB C 24 43.632 42.101 1.531 1 1 202 . 10 1 1 A 24 24 ASP C C 24 175.092 176.561 -1.469 1 1 203 . 10 1 1 A 25 25 ARG N N 25 124.562 122.965 1.597 1 1 204 . 10 1 1 A 25 25 ARG H H 25 8.384 8.540 -0.156 1 1 205 . 10 1 1 A 25 25 ARG CA C 25 59.227 58.335 0.892 1 1 206 . 10 1 1 A 25 25 ARG HA H 25 3.139 3.157 -0.018 1 1 207 . 10 1 1 A 25 25 ARG CB C 25 29.797 29.285 0.512 1 1 216 . 10 1 1 A 25 25 ARG C C 25 177.768 177.526 0.242 1 1 217 . 10 1 1 A 26 26 SER N N 26 114.310 116.804 -2.494 1 1 218 . 10 1 1 A 26 26 SER H H 26 8.404 8.041 0.363 1 1 219 . 10 1 1 A 26 26 SER CA C 26 61.865 62.196 -0.331 1 1 220 . 10 1 1 A 26 26 SER HA H 26 3.981 4.037 -0.056 1 1 221 . 10 1 1 A 26 26 SER CB C 26 62.116 62.946 -0.830 1 1 224 . 10 1 1 A 26 26 SER C C 26 177.339 176.713 0.626 1 1 225 . 10 1 1 A 27 27 ASN N N 27 120.170 120.578 -0.408 1 1 226 . 10 1 1 A 27 27 ASN H H 27 8.024 8.157 -0.133 1 1 227 . 10 1 1 A 27 27 ASN CA C 27 55.713 56.227 -0.514 1 1 228 . 10 1 1 A 27 27 ASN HA H 27 4.426 4.440 -0.014 1 1 229 . 10 1 1 A 27 27 ASN CB C 27 38.343 37.826 0.517 1 1 235 . 10 1 1 A 27 27 ASN C C 27 177.564 177.750 -0.186 1 1 236 . 10 1 1 A 28 28 LEU N N 28 123.285 120.052 3.233 1 1 237 . 10 1 1 A 28 28 LEU H H 28 7.047 7.646 -0.599 1 1 238 . 10 1 1 A 28 28 LEU CA C 28 58.259 57.142 1.117 1 1 239 . 10 1 1 A 28 28 LEU HA H 28 3.147 3.096 0.051 1 1 240 . 10 1 1 A 28 28 LEU CB C 28 40.313 41.825 -1.512 1 1 253 . 10 1 1 A 28 28 LEU C C 28 177.394 178.705 -1.311 1 1 254 . 10 1 1 A 29 29 ILE N N 29 119.714 119.498 0.216 1 1 255 . 10 1 1 A 29 29 ILE H H 29 8.148 7.758 0.390 1 1 256 . 10 1 1 A 29 29 ILE CA C 29 64.564 64.303 0.261 1 1 257 . 10 1 1 A 29 29 ILE HA H 29 3.692 3.659 0.033 1 1 258 . 10 1 1 A 29 29 ILE CB C 29 37.503 37.106 0.397 1 1 271 . 10 1 1 A 29 29 ILE C C 29 179.034 178.249 0.785 1 1 272 . 10 1 1 A 30 30 LYS N N 30 118.869 120.668 -1.799 1 1 273 . 10 1 1 A 30 30 LYS H H 30 7.539 8.445 -0.906 1 1 274 . 10 1 1 A 30 30 LYS CA C 30 59.707 58.086 1.621 1 1 275 . 10 1 1 A 30 30 LYS HA H 30 3.917 4.109 -0.192 1 1 276 . 10 1 1 A 30 30 LYS CB C 30 32.807 31.151 1.656 1 1 288 . 10 1 1 A 30 30 LYS C C 30 179.031 178.358 0.673 1 1 289 . 10 1 1 A 31 31 HIS N N 31 118.737 118.634 0.103 1 1 290 . 10 1 1 A 31 31 HIS H H 31 7.554 7.950 -0.396 1 1 291 . 10 1 1 A 31 31 HIS CA C 31 59.020 58.654 0.366 1 1 292 . 10 1 1 A 31 31 HIS HA H 31 4.175 4.205 -0.030 1 1 293 . 10 1 1 A 31 31 HIS CB C 31 28.480 29.948 -1.468 1 1 300 . 10 1 1 A 31 31 HIS C C 31 176.197 177.142 -0.945 1 1 301 . 10 1 1 A 32 32 GLN N N 32 115.420 118.698 -3.278 1 1 302 . 10 1 1 A 32 32 GLN H H 32 8.379 7.966 0.413 1 1 303 . 10 1 1 A 32 32 GLN CA C 32 59.377 58.095 1.282 1 1 304 . 10 1 1 A 32 32 GLN HA H 32 3.642 4.076 -0.434 1 1 305 . 10 1 1 A 32 32 GLN CB C 32 28.253 28.517 -0.264 1 1 314 . 10 1 1 A 32 32 GLN C C 32 177.510 177.787 -0.277 1 1 315 . 10 1 1 A 33 33 LYS N N 33 117.483 118.754 -1.271 1 1 316 . 10 1 1 A 33 33 LYS H H 33 7.088 7.789 -0.701 1 1 317 . 10 1 1 A 33 33 LYS CA C 33 58.393 58.070 0.323 1 1 318 . 10 1 1 A 33 33 LYS HA H 33 4.094 3.974 0.120 1 1 319 . 10 1 1 A 33 33 LYS CB C 33 32.312 32.169 0.143 1 1 331 . 10 1 1 A 33 33 LYS C C 33 178.685 178.844 -0.159 1 1 332 . 10 1 1 A 34 34 ILE N N 34 116.168 114.590 1.578 1 1 333 . 10 1 1 A 34 34 ILE H H 34 7.815 7.407 0.408 1 1 334 . 10 1 1 A 34 34 ILE CA C 34 63.019 62.627 0.392 1 1 335 . 10 1 1 A 34 34 ILE HA H 34 3.979 3.904 0.075 1 1 336 . 10 1 1 A 34 34 ILE CB C 34 37.697 37.072 0.625 1 1 349 . 10 1 1 A 34 34 ILE C C 34 177.346 176.194 1.152 1 1 350 . 10 1 1 A 35 35 HIS N N 35 117.330 119.809 -2.479 1 1 351 . 10 1 1 A 35 35 HIS H H 35 7.193 7.635 -0.442 1 1 352 . 10 1 1 A 35 35 HIS CA C 35 54.932 55.719 -0.787 1 1 353 . 10 1 1 A 35 35 HIS HA H 35 4.916 4.718 0.198 1 1 354 . 10 1 1 A 35 35 HIS CB C 35 28.387 30.047 -1.660 1 1 361 . 10 1 1 A 35 35 HIS C C 35 175.585 174.495 1.090 1 1 362 . 10 1 1 A 36 36 THR N N 36 112.446 113.338 -0.892 1 1 363 . 10 1 1 A 36 36 THR H H 36 7.752 7.263 0.489 1 1 364 . 10 1 1 A 36 36 THR CA C 36 62.671 60.647 2.024 1 1 365 . 10 1 1 A 36 36 THR HA H 36 4.329 4.592 -0.263 1 1 366 . 10 1 1 A 36 36 THR CB C 36 69.763 71.133 -1.370 1 1 372 . 10 1 1 A 36 36 THR C C 36 175.346 173.074 2.272 1 1 373 . 10 1 1 A 37 37 GLY N N 37 110.884 113.932 -3.048 1 1 374 . 10 1 1 A 37 37 GLY H H 37 8.312 8.391 -0.079 1 1 375 . 10 1 1 A 37 37 GLY CA C 37 45.315 44.011 1.304 1 1 376 . 10 1 1 A 37 37 GLY HA2 H 37 3.987 4.075 -0.088 1 1 377 . 10 1 1 A 37 37 GLY HA3 H 37 3.987 4.082 -0.095 1 1 378 . 10 1 1 A 37 37 GLY C C 37 174.024 174.820 -0.796 1 1 379 . 10 1 1 A 38 38 GLU N N 38 120.586 124.151 -3.565 1 1 380 . 10 1 1 A 38 38 GLU H H 38 8.084 8.786 -0.702 1 1 381 . 10 1 1 A 38 38 GLU CA C 38 56.427 59.682 -3.255 1 1 382 . 10 1 1 A 38 38 GLU HA H 38 4.248 3.971 0.277 1 1 383 . 10 1 1 A 38 38 GLU CB C 38 30.573 29.347 1.226 1 1 389 . 10 1 1 A 38 38 GLU C C 38 176.226 177.569 -1.343 1 1 390 . 10 1 1 A 39 39 LYS N N 39 123.823 120.048 3.775 1 1 391 . 10 1 1 A 39 39 LYS H H 39 8.425 7.677 0.748 1 1 392 . 10 1 1 A 39 39 LYS CA C 39 54.118 54.867 -0.749 1 1 393 . 10 1 1 A 39 39 LYS HA H 39 4.604 4.207 0.397 1 1 394 . 10 1 1 A 39 39 LYS CB C 39 32.536 33.221 -0.685 1 1 406 . 10 1 1 A 39 39 LYS C C 39 174.461 175.179 -0.718 1 1 407 . 10 1 1 A 40 40 PRO CA C 40 63.231 62.743 0.488 1 1 408 . 10 1 1 A 40 40 PRO HA H 40 4.460 4.589 -0.129 1 1 409 . 10 1 1 A 40 40 PRO CB C 40 32.200 31.823 0.377 1 1 418 . 10 1 1 A 40 40 PRO C C 40 176.951 175.983 0.968 1 1 419 . 10 1 1 A 41 41 SER N N 41 116.497 115.753 0.744 1 1 420 . 10 1 1 A 41 41 SER H H 41 8.475 8.270 0.205 1 1 421 . 10 1 1 A 41 41 SER CA C 41 58.375 56.625 1.750 1 1 422 . 10 1 1 A 41 41 SER HA H 41 4.491 5.185 -0.694 1 1 423 . 10 1 1 A 41 41 SER CB C 41 63.953 64.364 -0.411 1 1 425 . 10 1 1 A 41 41 SER C C 41 174.588 173.607 0.981 1 1 426 . 10 1 1 A 42 42 GLY CA C 42 44.665 44.823 -0.158 1 1 427 . 10 1 1 A 42 42 GLY HA2 H 42 4.111 4.036 0.075 1 1 428 . 10 1 1 A 42 42 GLY HA3 H 42 4.153 4.037 0.116 1 1 429 . 10 1 1 A 43 43 PRO CA C 43 63.238 63.980 -0.742 1 1 430 . 10 1 1 A 43 43 PRO HA H 43 4.467 4.483 -0.016 1 1 431 . 10 1 1 A 43 43 PRO CB C 43 32.174 31.950 0.224 1 1 440 . 10 1 1 A 45 45 SER CA C 45 58.360 57.481 0.879 1 1 441 . 10 1 1 A 45 45 SER HA H 45 4.482 4.764 -0.282 1 1 442 . 10 1 1 A 45 45 SER CB C 45 64.038 64.243 -0.205 1 1 445 . 10 1 1 A 45 45 SER C C 45 173.890 174.293 -0.403 1 1 1 . 11 1 1 A 7 7 GLY CA C 7 45.428 44.709 0.719 1 1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.031 4.175 -0.144 1 1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.031 4.180 -0.149 1 1 4 . 11 1 1 A 7 7 GLY C C 7 174.504 174.159 0.345 1 1 5 . 11 1 1 A 8 8 THR N N 8 112.847 114.330 -1.483 1 1 6 . 11 1 1 A 8 8 THR H H 8 8.154 8.662 -0.508 1 1 7 . 11 1 1 A 8 8 THR CA C 8 61.882 64.850 -2.968 1 1 8 . 11 1 1 A 8 8 THR HA H 8 4.361 4.201 0.160 1 1 9 . 11 1 1 A 8 8 THR CB C 8 69.841 68.991 0.850 1 1 15 . 11 1 1 A 8 8 THR C C 8 175.257 175.608 -0.351 1 1 16 . 11 1 1 A 9 9 GLY N N 9 110.940 110.303 0.637 1 1 17 . 11 1 1 A 9 9 GLY H H 9 8.452 7.736 0.716 1 1 18 . 11 1 1 A 9 9 GLY CA C 9 45.278 45.076 0.202 1 1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.920 4.054 -0.134 1 1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.920 4.056 -0.136 1 1 21 . 11 1 1 A 9 9 GLY C C 9 174.062 172.385 1.677 1 1 22 . 11 1 1 A 10 10 GLU N N 10 120.294 121.535 -1.241 1 1 23 . 11 1 1 A 10 10 GLU H H 10 8.237 8.467 -0.230 1 1 24 . 11 1 1 A 10 10 GLU CA C 10 56.821 54.821 2.000 1 1 25 . 11 1 1 A 10 10 GLU HA H 10 4.205 5.092 -0.887 1 1 26 . 11 1 1 A 10 10 GLU CB C 10 30.426 33.009 -2.583 1 1 32 . 11 1 1 A 10 10 GLU C C 10 176.322 175.194 1.128 1 1 33 . 11 1 1 A 11 11 ARG N N 11 121.374 124.888 -3.514 1 1 34 . 11 1 1 A 11 11 ARG H H 11 8.295 8.524 -0.229 1 1 35 . 11 1 1 A 11 11 ARG CA C 11 53.547 52.620 0.927 1 1 36 . 11 1 1 A 11 11 ARG HA H 11 4.539 4.809 -0.270 1 1 37 . 11 1 1 A 11 11 ARG CB C 11 30.672 31.306 -0.634 1 1 45 . 11 1 1 A 11 11 ARG C C 11 173.550 175.740 -2.190 1 1 46 . 11 1 1 A 12 12 PRO CA C 12 63.252 64.859 -1.607 1 1 47 . 11 1 1 A 12 12 PRO HA H 12 4.335 4.290 0.045 1 1 48 . 11 1 1 A 12 12 PRO CB C 12 32.315 31.556 0.759 1 1 57 . 11 1 1 A 12 12 PRO C C 12 176.312 175.890 0.422 1 1 58 . 11 1 1 A 13 13 TYR N N 13 119.535 117.822 1.713 1 1 59 . 11 1 1 A 13 13 TYR H H 13 8.022 7.681 0.341 1 1 60 . 11 1 1 A 13 13 TYR CA C 13 57.666 57.816 -0.150 1 1 61 . 11 1 1 A 13 13 TYR HA H 13 4.597 4.862 -0.265 1 1 62 . 11 1 1 A 13 13 TYR CB C 13 38.476 39.527 -1.051 1 1 73 . 11 1 1 A 13 13 TYR C C 13 174.475 176.122 -1.647 1 1 74 . 11 1 1 A 14 14 ILE N N 14 124.578 123.659 0.919 1 1 75 . 11 1 1 A 14 14 ILE H H 14 8.338 9.039 -0.701 1 1 76 . 11 1 1 A 14 14 ILE CA C 14 59.714 59.774 -0.060 1 1 77 . 11 1 1 A 14 14 ILE HA H 14 4.675 5.168 -0.493 1 1 78 . 11 1 1 A 14 14 ILE CB C 14 40.638 41.804 -1.166 1 1 91 . 11 1 1 A 14 14 ILE C C 14 175.750 174.376 1.374 1 1 92 . 11 1 1 A 15 15 CYS N N 15 128.935 125.514 3.421 1 1 93 . 11 1 1 A 15 15 CYS H H 15 9.278 9.219 0.059 1 1 94 . 11 1 1 A 15 15 CYS CA C 15 59.752 57.710 2.042 1 1 95 . 11 1 1 A 15 15 CYS HA H 15 4.624 4.865 -0.241 1 1 96 . 11 1 1 A 15 15 CYS CB C 15 29.428 29.607 -0.179 1 1 99 . 11 1 1 A 15 15 CYS C C 15 177.330 176.333 0.997 1 1 100 . 11 1 1 A 16 16 THR N N 16 124.216 118.894 5.322 1 1 101 . 11 1 1 A 16 16 THR H H 16 8.902 8.824 0.078 1 1 102 . 11 1 1 A 16 16 THR CA C 16 64.298 61.980 2.318 1 1 103 . 11 1 1 A 16 16 THR HA H 16 4.130 4.456 -0.326 1 1 104 . 11 1 1 A 16 16 THR CB C 16 68.664 68.738 -0.074 1 1 110 . 11 1 1 A 16 16 THR C C 16 174.750 173.841 0.909 1 1 111 . 11 1 1 A 17 17 VAL N N 17 123.592 119.474 4.118 1 1 112 . 11 1 1 A 17 17 VAL H H 17 8.618 7.985 0.633 1 1 113 . 11 1 1 A 17 17 VAL CA C 17 65.222 63.561 1.661 1 1 114 . 11 1 1 A 17 17 VAL HA H 17 3.795 4.153 -0.358 1 1 115 . 11 1 1 A 17 17 VAL CB C 17 32.714 33.881 -1.167 1 1 125 . 11 1 1 A 17 17 VAL C C 17 177.090 177.278 -0.188 1 1 126 . 11 1 1 A 18 18 CYS N N 18 115.099 115.596 -0.497 1 1 127 . 11 1 1 A 18 18 CYS H H 18 7.957 8.036 -0.079 1 1 128 . 11 1 1 A 18 18 CYS CA C 18 58.176 59.258 -1.082 1 1 129 . 11 1 1 A 18 18 CYS HA H 18 5.159 4.662 0.497 1 1 130 . 11 1 1 A 18 18 CYS CB C 18 32.806 30.169 2.637 1 1 133 . 11 1 1 A 18 18 CYS C C 18 176.462 175.689 0.773 1 1 134 . 11 1 1 A 19 19 GLY N N 19 113.815 110.171 3.644 1 1 135 . 11 1 1 A 19 19 GLY H H 19 8.183 8.576 -0.393 1 1 136 . 11 1 1 A 19 19 GLY CA C 19 46.160 46.238 -0.078 1 1 137 . 11 1 1 A 19 19 GLY HA2 H 19 4.209 4.013 0.196 1 1 138 . 11 1 1 A 19 19 GLY HA3 H 19 3.748 4.023 -0.275 1 1 139 . 11 1 1 A 19 19 GLY C C 19 173.546 173.932 -0.386 1 1 140 . 11 1 1 A 20 20 LYS N N 20 123.111 119.913 3.198 1 1 141 . 11 1 1 A 20 20 LYS H H 20 7.986 7.718 0.268 1 1 142 . 11 1 1 A 20 20 LYS CA C 20 58.320 54.609 3.711 1 1 143 . 11 1 1 A 20 20 LYS HA H 20 3.936 4.768 -0.832 1 1 144 . 11 1 1 A 20 20 LYS CB C 20 33.685 35.782 -2.097 1 1 156 . 11 1 1 A 20 20 LYS C C 20 173.419 175.086 -1.667 1 1 157 . 11 1 1 A 21 21 ALA N N 21 124.165 126.880 -2.715 1 1 158 . 11 1 1 A 21 21 ALA H H 21 7.779 8.496 -0.717 1 1 159 . 11 1 1 A 21 21 ALA CA C 21 50.486 50.189 0.297 1 1 160 . 11 1 1 A 21 21 ALA HA H 21 5.105 5.399 -0.294 1 1 161 . 11 1 1 A 21 21 ALA CB C 21 22.458 22.629 -0.171 1 1 165 . 11 1 1 A 21 21 ALA C C 21 176.756 175.803 0.953 1 1 166 . 11 1 1 A 22 22 PHE N N 22 118.244 115.615 2.629 1 1 167 . 11 1 1 A 22 22 PHE H H 22 8.986 8.440 0.546 1 1 168 . 11 1 1 A 22 22 PHE CA C 22 57.418 56.616 0.802 1 1 169 . 11 1 1 A 22 22 PHE HA H 22 4.717 4.864 -0.147 1 1 170 . 11 1 1 A 22 22 PHE CB C 22 43.231 43.321 -0.090 1 1 183 . 11 1 1 A 22 22 PHE C C 22 175.604 175.641 -0.037 1 1 184 . 11 1 1 A 23 23 THR N N 23 112.986 115.311 -2.325 1 1 185 . 11 1 1 A 23 23 THR H H 23 8.941 8.754 0.187 1 1 186 . 11 1 1 A 23 23 THR CA C 23 63.847 65.066 -1.219 1 1 187 . 11 1 1 A 23 23 THR HA H 23 4.470 4.351 0.119 1 1 188 . 11 1 1 A 23 23 THR CB C 23 69.556 68.772 0.784 1 1 194 . 11 1 1 A 23 23 THR C C 23 174.032 174.700 -0.668 1 1 195 . 11 1 1 A 24 24 ASP N N 24 118.330 119.496 -1.166 1 1 196 . 11 1 1 A 24 24 ASP H H 24 7.637 8.102 -0.465 1 1 197 . 11 1 1 A 24 24 ASP CA C 24 52.811 53.084 -0.273 1 1 198 . 11 1 1 A 24 24 ASP HA H 24 4.808 4.640 0.168 1 1 199 . 11 1 1 A 24 24 ASP CB C 24 43.632 41.618 2.014 1 1 202 . 11 1 1 A 24 24 ASP C C 24 175.092 175.922 -0.830 1 1 203 . 11 1 1 A 25 25 ARG N N 25 124.562 122.697 1.865 1 1 204 . 11 1 1 A 25 25 ARG H H 25 8.384 8.344 0.040 1 1 205 . 11 1 1 A 25 25 ARG CA C 25 59.227 58.962 0.265 1 1 206 . 11 1 1 A 25 25 ARG HA H 25 3.139 3.284 -0.145 1 1 207 . 11 1 1 A 25 25 ARG CB C 25 29.797 29.393 0.404 1 1 216 . 11 1 1 A 25 25 ARG C C 25 177.768 177.684 0.084 1 1 217 . 11 1 1 A 26 26 SER N N 26 114.310 116.945 -2.635 1 1 218 . 11 1 1 A 26 26 SER H H 26 8.404 7.950 0.454 1 1 219 . 11 1 1 A 26 26 SER CA C 26 61.865 62.065 -0.200 1 1 220 . 11 1 1 A 26 26 SER HA H 26 3.981 4.008 -0.027 1 1 221 . 11 1 1 A 26 26 SER CB C 26 62.116 62.870 -0.754 1 1 224 . 11 1 1 A 26 26 SER C C 26 177.339 176.747 0.592 1 1 225 . 11 1 1 A 27 27 ASN N N 27 120.170 120.661 -0.491 1 1 226 . 11 1 1 A 27 27 ASN H H 27 8.024 8.024 0.000 1 1 227 . 11 1 1 A 27 27 ASN CA C 27 55.713 55.828 -0.115 1 1 228 . 11 1 1 A 27 27 ASN HA H 27 4.426 4.407 0.019 1 1 229 . 11 1 1 A 27 27 ASN CB C 27 38.343 37.989 0.354 1 1 235 . 11 1 1 A 27 27 ASN C C 27 177.564 177.573 -0.009 1 1 236 . 11 1 1 A 28 28 LEU N N 28 123.285 120.325 2.960 1 1 237 . 11 1 1 A 28 28 LEU H H 28 7.047 7.605 -0.558 1 1 238 . 11 1 1 A 28 28 LEU CA C 28 58.259 56.780 1.479 1 1 239 . 11 1 1 A 28 28 LEU HA H 28 3.147 3.210 -0.063 1 1 240 . 11 1 1 A 28 28 LEU CB C 28 40.313 42.316 -2.003 1 1 253 . 11 1 1 A 28 28 LEU C C 28 177.394 178.584 -1.190 1 1 254 . 11 1 1 A 29 29 ILE N N 29 119.714 119.711 0.003 1 1 255 . 11 1 1 A 29 29 ILE H H 29 8.148 7.826 0.322 1 1 256 . 11 1 1 A 29 29 ILE CA C 29 64.564 65.020 -0.456 1 1 257 . 11 1 1 A 29 29 ILE HA H 29 3.692 3.551 0.141 1 1 258 . 11 1 1 A 29 29 ILE CB C 29 37.503 37.253 0.250 1 1 271 . 11 1 1 A 29 29 ILE C C 29 179.034 178.433 0.601 1 1 272 . 11 1 1 A 30 30 LYS N N 30 118.869 120.818 -1.949 1 1 273 . 11 1 1 A 30 30 LYS H H 30 7.539 7.959 -0.420 1 1 274 . 11 1 1 A 30 30 LYS CA C 30 59.707 58.884 0.823 1 1 275 . 11 1 1 A 30 30 LYS HA H 30 3.917 4.024 -0.107 1 1 276 . 11 1 1 A 30 30 LYS CB C 30 32.807 31.956 0.851 1 1 288 . 11 1 1 A 30 30 LYS C C 30 179.031 178.562 0.469 1 1 289 . 11 1 1 A 31 31 HIS N N 31 118.737 119.215 -0.478 1 1 290 . 11 1 1 A 31 31 HIS H H 31 7.554 8.061 -0.507 1 1 291 . 11 1 1 A 31 31 HIS CA C 31 59.020 59.122 -0.102 1 1 292 . 11 1 1 A 31 31 HIS HA H 31 4.175 4.155 0.020 1 1 293 . 11 1 1 A 31 31 HIS CB C 31 28.480 29.759 -1.279 1 1 300 . 11 1 1 A 31 31 HIS C C 31 176.197 177.382 -1.185 1 1 301 . 11 1 1 A 32 32 GLN N N 32 115.420 118.335 -2.915 1 1 302 . 11 1 1 A 32 32 GLN H H 32 8.379 8.129 0.250 1 1 303 . 11 1 1 A 32 32 GLN CA C 32 59.377 58.815 0.562 1 1 304 . 11 1 1 A 32 32 GLN HA H 32 3.642 3.882 -0.240 1 1 305 . 11 1 1 A 32 32 GLN CB C 32 28.253 28.505 -0.252 1 1 314 . 11 1 1 A 32 32 GLN C C 32 177.510 178.493 -0.983 1 1 315 . 11 1 1 A 33 33 LYS N N 33 117.483 119.210 -1.727 1 1 316 . 11 1 1 A 33 33 LYS H H 33 7.088 7.733 -0.645 1 1 317 . 11 1 1 A 33 33 LYS CA C 33 58.393 58.721 -0.328 1 1 318 . 11 1 1 A 33 33 LYS HA H 33 4.094 4.111 -0.017 1 1 319 . 11 1 1 A 33 33 LYS CB C 33 32.312 31.678 0.634 1 1 331 . 11 1 1 A 33 33 LYS C C 33 178.685 179.286 -0.601 1 1 332 . 11 1 1 A 34 34 ILE N N 34 116.168 116.339 -0.171 1 1 333 . 11 1 1 A 34 34 ILE H H 34 7.815 7.509 0.306 1 1 334 . 11 1 1 A 34 34 ILE CA C 34 63.019 63.541 -0.522 1 1 335 . 11 1 1 A 34 34 ILE HA H 34 3.979 3.756 0.223 1 1 336 . 11 1 1 A 34 34 ILE CB C 34 37.697 36.990 0.707 1 1 349 . 11 1 1 A 34 34 ILE C C 34 177.346 176.653 0.693 1 1 350 . 11 1 1 A 35 35 HIS N N 35 117.330 119.160 -1.830 1 1 351 . 11 1 1 A 35 35 HIS H H 35 7.193 7.293 -0.100 1 1 352 . 11 1 1 A 35 35 HIS CA C 35 54.932 57.643 -2.711 1 1 353 . 11 1 1 A 35 35 HIS HA H 35 4.916 4.449 0.467 1 1 354 . 11 1 1 A 35 35 HIS CB C 35 28.387 30.639 -2.252 1 1 361 . 11 1 1 A 35 35 HIS C C 35 175.585 175.716 -0.131 1 1 362 . 11 1 1 A 36 36 THR N N 36 112.446 109.688 2.758 1 1 363 . 11 1 1 A 36 36 THR H H 36 7.752 7.648 0.104 1 1 364 . 11 1 1 A 36 36 THR CA C 36 62.671 61.128 1.543 1 1 365 . 11 1 1 A 36 36 THR HA H 36 4.329 4.328 0.001 1 1 366 . 11 1 1 A 36 36 THR CB C 36 69.763 68.632 1.131 1 1 372 . 11 1 1 A 36 36 THR C C 36 175.346 174.594 0.752 1 1 373 . 11 1 1 A 37 37 GLY N N 37 110.884 111.266 -0.382 1 1 374 . 11 1 1 A 37 37 GLY H H 37 8.312 7.845 0.467 1 1 375 . 11 1 1 A 37 37 GLY CA C 37 45.315 45.334 -0.019 1 1 376 . 11 1 1 A 37 37 GLY HA2 H 37 3.987 4.012 -0.025 1 1 377 . 11 1 1 A 37 37 GLY HA3 H 37 3.987 4.015 -0.028 1 1 378 . 11 1 1 A 37 37 GLY C C 37 174.024 173.682 0.342 1 1 379 . 11 1 1 A 38 38 GLU N N 38 120.586 119.723 0.863 1 1 380 . 11 1 1 A 38 38 GLU H H 38 8.084 7.852 0.232 1 1 381 . 11 1 1 A 38 38 GLU CA C 38 56.427 56.432 -0.005 1 1 382 . 11 1 1 A 38 38 GLU HA H 38 4.248 4.340 -0.092 1 1 383 . 11 1 1 A 38 38 GLU CB C 38 30.573 30.062 0.511 1 1 389 . 11 1 1 A 38 38 GLU C C 38 176.226 176.068 0.158 1 1 390 . 11 1 1 A 39 39 LYS N N 39 123.823 123.107 0.716 1 1 391 . 11 1 1 A 39 39 LYS H H 39 8.425 8.597 -0.172 1 1 392 . 11 1 1 A 39 39 LYS CA C 39 54.118 54.802 -0.684 1 1 393 . 11 1 1 A 39 39 LYS HA H 39 4.604 4.344 0.260 1 1 394 . 11 1 1 A 39 39 LYS CB C 39 32.536 31.917 0.619 1 1 406 . 11 1 1 A 39 39 LYS C C 39 174.461 176.595 -2.134 1 1 407 . 11 1 1 A 40 40 PRO CA C 40 63.231 64.338 -1.107 1 1 408 . 11 1 1 A 40 40 PRO HA H 40 4.460 4.457 0.003 1 1 409 . 11 1 1 A 40 40 PRO CB C 40 32.200 32.007 0.193 1 1 418 . 11 1 1 A 40 40 PRO C C 40 176.951 177.944 -0.993 1 1 419 . 11 1 1 A 41 41 SER N N 41 116.497 114.557 1.940 1 1 420 . 11 1 1 A 41 41 SER H H 41 8.475 8.266 0.209 1 1 421 . 11 1 1 A 41 41 SER CA C 41 58.375 61.292 -2.917 1 1 422 . 11 1 1 A 41 41 SER HA H 41 4.491 4.210 0.281 1 1 423 . 11 1 1 A 41 41 SER CB C 41 63.953 63.504 0.449 1 1 425 . 11 1 1 A 41 41 SER C C 41 174.588 175.321 -0.733 1 1 426 . 11 1 1 A 42 42 GLY CA C 42 44.665 43.906 0.759 1 1 427 . 11 1 1 A 42 42 GLY HA2 H 42 4.111 4.086 0.025 1 1 428 . 11 1 1 A 42 42 GLY HA3 H 42 4.153 4.087 0.066 1 1 429 . 11 1 1 A 43 43 PRO CA C 43 63.238 62.684 0.554 1 1 430 . 11 1 1 A 43 43 PRO HA H 43 4.467 4.672 -0.205 1 1 431 . 11 1 1 A 43 43 PRO CB C 43 32.174 32.372 -0.198 1 1 440 . 11 1 1 A 45 45 SER CA C 45 58.360 57.636 0.724 1 1 441 . 11 1 1 A 45 45 SER HA H 45 4.482 4.788 -0.306 1 1 442 . 11 1 1 A 45 45 SER CB C 45 64.038 62.410 1.628 1 1 445 . 11 1 1 A 45 45 SER C C 45 173.890 174.541 -0.651 1 1 1 . 12 1 1 A 7 7 GLY CA C 7 45.428 46.095 -0.667 1 1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.031 4.058 -0.027 1 1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.031 4.059 -0.028 1 1 4 . 12 1 1 A 7 7 GLY C C 7 174.504 174.114 0.390 1 1 5 . 12 1 1 A 8 8 THR N N 8 112.847 112.945 -0.098 1 1 6 . 12 1 1 A 8 8 THR H H 8 8.154 7.903 0.251 1 1 7 . 12 1 1 A 8 8 THR CA C 8 61.882 63.374 -1.492 1 1 8 . 12 1 1 A 8 8 THR HA H 8 4.361 4.262 0.099 1 1 9 . 12 1 1 A 8 8 THR CB C 8 69.841 68.404 1.437 1 1 15 . 12 1 1 A 8 8 THR C C 8 175.257 175.065 0.192 1 1 16 . 12 1 1 A 9 9 GLY N N 9 110.940 113.127 -2.187 1 1 17 . 12 1 1 A 9 9 GLY H H 9 8.452 8.742 -0.290 1 1 18 . 12 1 1 A 9 9 GLY CA C 9 45.278 45.597 -0.319 1 1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.920 4.034 -0.114 1 1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.920 4.035 -0.115 1 1 21 . 12 1 1 A 9 9 GLY C C 9 174.062 174.195 -0.133 1 1 22 . 12 1 1 A 10 10 GLU N N 10 120.294 122.599 -2.305 1 1 23 . 12 1 1 A 10 10 GLU H H 10 8.237 8.374 -0.137 1 1 24 . 12 1 1 A 10 10 GLU CA C 10 56.821 54.986 1.835 1 1 25 . 12 1 1 A 10 10 GLU HA H 10 4.205 4.715 -0.510 1 1 26 . 12 1 1 A 10 10 GLU CB C 10 30.426 31.919 -1.493 1 1 32 . 12 1 1 A 10 10 GLU C C 10 176.322 175.660 0.662 1 1 33 . 12 1 1 A 11 11 ARG N N 11 121.374 120.175 1.199 1 1 34 . 12 1 1 A 11 11 ARG H H 11 8.295 8.596 -0.301 1 1 35 . 12 1 1 A 11 11 ARG CA C 11 53.547 53.008 0.539 1 1 36 . 12 1 1 A 11 11 ARG HA H 11 4.539 4.784 -0.245 1 1 37 . 12 1 1 A 11 11 ARG CB C 11 30.672 31.115 -0.443 1 1 45 . 12 1 1 A 11 11 ARG C C 11 173.550 176.043 -2.493 1 1 46 . 12 1 1 A 12 12 PRO CA C 12 63.252 64.922 -1.670 1 1 47 . 12 1 1 A 12 12 PRO HA H 12 4.335 4.243 0.092 1 1 48 . 12 1 1 A 12 12 PRO CB C 12 32.315 31.627 0.688 1 1 57 . 12 1 1 A 12 12 PRO C C 12 176.312 175.851 0.461 1 1 58 . 12 1 1 A 13 13 TYR N N 13 119.535 118.298 1.237 1 1 59 . 12 1 1 A 13 13 TYR H H 13 8.022 7.722 0.300 1 1 60 . 12 1 1 A 13 13 TYR CA C 13 57.666 57.392 0.274 1 1 61 . 12 1 1 A 13 13 TYR HA H 13 4.597 5.084 -0.487 1 1 62 . 12 1 1 A 13 13 TYR CB C 13 38.476 40.405 -1.929 1 1 73 . 12 1 1 A 13 13 TYR C C 13 174.475 175.414 -0.939 1 1 74 . 12 1 1 A 14 14 ILE N N 14 124.578 123.412 1.166 1 1 75 . 12 1 1 A 14 14 ILE H H 14 8.338 8.991 -0.653 1 1 76 . 12 1 1 A 14 14 ILE CA C 14 59.714 59.501 0.213 1 1 77 . 12 1 1 A 14 14 ILE HA H 14 4.675 4.919 -0.244 1 1 78 . 12 1 1 A 14 14 ILE CB C 14 40.638 42.122 -1.484 1 1 91 . 12 1 1 A 14 14 ILE C C 14 175.750 175.471 0.279 1 1 92 . 12 1 1 A 15 15 CYS N N 15 128.935 126.561 2.374 1 1 93 . 12 1 1 A 15 15 CYS H H 15 9.278 9.326 -0.048 1 1 94 . 12 1 1 A 15 15 CYS CA C 15 59.752 59.220 0.532 1 1 95 . 12 1 1 A 15 15 CYS HA H 15 4.624 4.759 -0.135 1 1 96 . 12 1 1 A 15 15 CYS CB C 15 29.428 28.291 1.137 1 1 99 . 12 1 1 A 15 15 CYS C C 15 177.330 175.805 1.525 1 1 100 . 12 1 1 A 16 16 THR N N 16 124.216 123.091 1.125 1 1 101 . 12 1 1 A 16 16 THR H H 16 8.902 9.060 -0.158 1 1 102 . 12 1 1 A 16 16 THR CA C 16 64.298 61.891 2.407 1 1 103 . 12 1 1 A 16 16 THR HA H 16 4.130 4.489 -0.359 1 1 104 . 12 1 1 A 16 16 THR CB C 16 68.664 68.126 0.538 1 1 110 . 12 1 1 A 16 16 THR C C 16 174.750 175.408 -0.658 1 1 111 . 12 1 1 A 17 17 VAL N N 17 123.592 121.230 2.362 1 1 112 . 12 1 1 A 17 17 VAL H H 17 8.618 7.960 0.658 1 1 113 . 12 1 1 A 17 17 VAL CA C 17 65.222 63.549 1.673 1 1 114 . 12 1 1 A 17 17 VAL HA H 17 3.795 4.129 -0.334 1 1 115 . 12 1 1 A 17 17 VAL CB C 17 32.714 33.922 -1.208 1 1 125 . 12 1 1 A 17 17 VAL C C 17 177.090 177.186 -0.096 1 1 126 . 12 1 1 A 18 18 CYS N N 18 115.099 115.385 -0.286 1 1 127 . 12 1 1 A 18 18 CYS H H 18 7.957 8.031 -0.074 1 1 128 . 12 1 1 A 18 18 CYS CA C 18 58.176 59.182 -1.006 1 1 129 . 12 1 1 A 18 18 CYS HA H 18 5.159 4.626 0.533 1 1 130 . 12 1 1 A 18 18 CYS CB C 18 32.806 30.244 2.562 1 1 133 . 12 1 1 A 18 18 CYS C C 18 176.462 175.466 0.996 1 1 134 . 12 1 1 A 19 19 GLY N N 19 113.815 110.312 3.503 1 1 135 . 12 1 1 A 19 19 GLY H H 19 8.183 7.848 0.335 1 1 136 . 12 1 1 A 19 19 GLY CA C 19 46.160 45.382 0.778 1 1 137 . 12 1 1 A 19 19 GLY HA2 H 19 4.209 4.064 0.145 1 1 138 . 12 1 1 A 19 19 GLY HA3 H 19 3.748 4.075 -0.327 1 1 139 . 12 1 1 A 19 19 GLY C C 19 173.546 174.334 -0.788 1 1 140 . 12 1 1 A 20 20 LYS N N 20 123.111 121.132 1.979 1 1 141 . 12 1 1 A 20 20 LYS H H 20 7.986 7.860 0.126 1 1 142 . 12 1 1 A 20 20 LYS CA C 20 58.320 55.137 3.183 1 1 143 . 12 1 1 A 20 20 LYS HA H 20 3.936 4.746 -0.810 1 1 144 . 12 1 1 A 20 20 LYS CB C 20 33.685 35.065 -1.380 1 1 156 . 12 1 1 A 20 20 LYS C C 20 173.419 175.046 -1.627 1 1 157 . 12 1 1 A 21 21 ALA N N 21 124.165 125.408 -1.243 1 1 158 . 12 1 1 A 21 21 ALA H H 21 7.779 8.441 -0.662 1 1 159 . 12 1 1 A 21 21 ALA CA C 21 50.486 50.069 0.417 1 1 160 . 12 1 1 A 21 21 ALA HA H 21 5.105 5.516 -0.411 1 1 161 . 12 1 1 A 21 21 ALA CB C 21 22.458 22.812 -0.354 1 1 165 . 12 1 1 A 21 21 ALA C C 21 176.756 175.294 1.462 1 1 166 . 12 1 1 A 22 22 PHE N N 22 118.244 117.390 0.854 1 1 167 . 12 1 1 A 22 22 PHE H H 22 8.986 8.898 0.088 1 1 168 . 12 1 1 A 22 22 PHE CA C 22 57.418 56.780 0.638 1 1 169 . 12 1 1 A 22 22 PHE HA H 22 4.717 4.896 -0.179 1 1 170 . 12 1 1 A 22 22 PHE CB C 22 43.231 42.735 0.496 1 1 183 . 12 1 1 A 22 22 PHE C C 22 175.604 176.121 -0.517 1 1 184 . 12 1 1 A 23 23 THR N N 23 112.986 116.642 -3.656 1 1 185 . 12 1 1 A 23 23 THR H H 23 8.941 8.726 0.215 1 1 186 . 12 1 1 A 23 23 THR CA C 23 63.847 65.344 -1.497 1 1 187 . 12 1 1 A 23 23 THR HA H 23 4.470 4.209 0.261 1 1 188 . 12 1 1 A 23 23 THR CB C 23 69.556 68.811 0.745 1 1 194 . 12 1 1 A 23 23 THR C C 23 174.032 174.624 -0.592 1 1 195 . 12 1 1 A 24 24 ASP N N 24 118.330 120.488 -2.158 1 1 196 . 12 1 1 A 24 24 ASP H H 24 7.637 8.291 -0.654 1 1 197 . 12 1 1 A 24 24 ASP CA C 24 52.811 53.028 -0.217 1 1 198 . 12 1 1 A 24 24 ASP HA H 24 4.808 5.029 -0.221 1 1 199 . 12 1 1 A 24 24 ASP CB C 24 43.632 42.819 0.813 1 1 202 . 12 1 1 A 24 24 ASP C C 24 175.092 175.951 -0.859 1 1 203 . 12 1 1 A 25 25 ARG N N 25 124.562 125.563 -1.001 1 1 204 . 12 1 1 A 25 25 ARG H H 25 8.384 8.113 0.271 1 1 205 . 12 1 1 A 25 25 ARG CA C 25 59.227 59.440 -0.213 1 1 206 . 12 1 1 A 25 25 ARG HA H 25 3.139 3.400 -0.261 1 1 207 . 12 1 1 A 25 25 ARG CB C 25 29.797 29.291 0.506 1 1 216 . 12 1 1 A 25 25 ARG C C 25 177.768 177.550 0.218 1 1 217 . 12 1 1 A 26 26 SER N N 26 114.310 114.507 -0.197 1 1 218 . 12 1 1 A 26 26 SER H H 26 8.404 8.160 0.244 1 1 219 . 12 1 1 A 26 26 SER CA C 26 61.865 61.278 0.587 1 1 220 . 12 1 1 A 26 26 SER HA H 26 3.981 4.110 -0.129 1 1 221 . 12 1 1 A 26 26 SER CB C 26 62.116 62.674 -0.558 1 1 224 . 12 1 1 A 26 26 SER C C 26 177.339 177.072 0.267 1 1 225 . 12 1 1 A 27 27 ASN N N 27 120.170 119.728 0.442 1 1 226 . 12 1 1 A 27 27 ASN H H 27 8.024 8.207 -0.183 1 1 227 . 12 1 1 A 27 27 ASN CA C 27 55.713 56.367 -0.654 1 1 228 . 12 1 1 A 27 27 ASN HA H 27 4.426 4.389 0.037 1 1 229 . 12 1 1 A 27 27 ASN CB C 27 38.343 38.018 0.325 1 1 235 . 12 1 1 A 27 27 ASN C C 27 177.564 177.716 -0.152 1 1 236 . 12 1 1 A 28 28 LEU N N 28 123.285 121.388 1.897 1 1 237 . 12 1 1 A 28 28 LEU H H 28 7.047 7.514 -0.467 1 1 238 . 12 1 1 A 28 28 LEU CA C 28 58.259 57.695 0.564 1 1 239 . 12 1 1 A 28 28 LEU HA H 28 3.147 2.952 0.195 1 1 240 . 12 1 1 A 28 28 LEU CB C 28 40.313 41.217 -0.904 1 1 253 . 12 1 1 A 28 28 LEU C C 28 177.394 178.314 -0.920 1 1 254 . 12 1 1 A 29 29 ILE N N 29 119.714 119.917 -0.203 1 1 255 . 12 1 1 A 29 29 ILE H H 29 8.148 8.212 -0.064 1 1 256 . 12 1 1 A 29 29 ILE CA C 29 64.564 65.940 -1.376 1 1 257 . 12 1 1 A 29 29 ILE HA H 29 3.692 3.384 0.308 1 1 258 . 12 1 1 A 29 29 ILE CB C 29 37.503 37.842 -0.339 1 1 271 . 12 1 1 A 29 29 ILE C C 29 179.034 178.064 0.970 1 1 272 . 12 1 1 A 30 30 LYS N N 30 118.869 120.809 -1.940 1 1 273 . 12 1 1 A 30 30 LYS H H 30 7.539 7.736 -0.197 1 1 274 . 12 1 1 A 30 30 LYS CA C 30 59.707 58.827 0.880 1 1 275 . 12 1 1 A 30 30 LYS HA H 30 3.917 3.955 -0.038 1 1 276 . 12 1 1 A 30 30 LYS CB C 30 32.807 31.858 0.949 1 1 288 . 12 1 1 A 30 30 LYS C C 30 179.031 179.089 -0.058 1 1 289 . 12 1 1 A 31 31 HIS N N 31 118.737 119.404 -0.667 1 1 290 . 12 1 1 A 31 31 HIS H H 31 7.554 8.334 -0.780 1 1 291 . 12 1 1 A 31 31 HIS CA C 31 59.020 59.677 -0.657 1 1 292 . 12 1 1 A 31 31 HIS HA H 31 4.175 4.096 0.079 1 1 293 . 12 1 1 A 31 31 HIS CB C 31 28.480 29.433 -0.953 1 1 300 . 12 1 1 A 31 31 HIS C C 31 176.197 177.282 -1.085 1 1 301 . 12 1 1 A 32 32 GLN N N 32 115.420 118.123 -2.703 1 1 302 . 12 1 1 A 32 32 GLN H H 32 8.379 8.302 0.077 1 1 303 . 12 1 1 A 32 32 GLN CA C 32 59.377 58.984 0.393 1 1 304 . 12 1 1 A 32 32 GLN HA H 32 3.642 3.813 -0.171 1 1 305 . 12 1 1 A 32 32 GLN CB C 32 28.253 28.372 -0.119 1 1 314 . 12 1 1 A 32 32 GLN C C 32 177.510 178.586 -1.076 1 1 315 . 12 1 1 A 33 33 LYS N N 33 117.483 119.382 -1.899 1 1 316 . 12 1 1 A 33 33 LYS H H 33 7.088 7.479 -0.391 1 1 317 . 12 1 1 A 33 33 LYS CA C 33 58.393 58.744 -0.351 1 1 318 . 12 1 1 A 33 33 LYS HA H 33 4.094 3.976 0.118 1 1 319 . 12 1 1 A 33 33 LYS CB C 33 32.312 31.898 0.414 1 1 331 . 12 1 1 A 33 33 LYS C C 33 178.685 179.126 -0.441 1 1 332 . 12 1 1 A 34 34 ILE N N 34 116.168 115.681 0.487 1 1 333 . 12 1 1 A 34 34 ILE H H 34 7.815 7.752 0.063 1 1 334 . 12 1 1 A 34 34 ILE CA C 34 63.019 62.753 0.266 1 1 335 . 12 1 1 A 34 34 ILE HA H 34 3.979 3.861 0.118 1 1 336 . 12 1 1 A 34 34 ILE CB C 34 37.697 37.128 0.569 1 1 349 . 12 1 1 A 34 34 ILE C C 34 177.346 176.370 0.976 1 1 350 . 12 1 1 A 35 35 HIS N N 35 117.330 119.191 -1.861 1 1 351 . 12 1 1 A 35 35 HIS H H 35 7.193 7.599 -0.406 1 1 352 . 12 1 1 A 35 35 HIS CA C 35 54.932 56.975 -2.043 1 1 353 . 12 1 1 A 35 35 HIS HA H 35 4.916 4.618 0.298 1 1 354 . 12 1 1 A 35 35 HIS CB C 35 28.387 31.406 -3.019 1 1 361 . 12 1 1 A 35 35 HIS C C 35 175.585 177.347 -1.762 1 1 362 . 12 1 1 A 36 36 THR N N 36 112.446 113.622 -1.176 1 1 363 . 12 1 1 A 36 36 THR H H 36 7.752 7.942 -0.190 1 1 364 . 12 1 1 A 36 36 THR CA C 36 62.671 64.476 -1.805 1 1 365 . 12 1 1 A 36 36 THR HA H 36 4.329 4.062 0.267 1 1 366 . 12 1 1 A 36 36 THR CB C 36 69.763 68.652 1.111 1 1 372 . 12 1 1 A 36 36 THR C C 36 175.346 175.581 -0.235 1 1 373 . 12 1 1 A 37 37 GLY N N 37 110.884 107.883 3.001 1 1 374 . 12 1 1 A 37 37 GLY H H 37 8.312 7.791 0.521 1 1 375 . 12 1 1 A 37 37 GLY CA C 37 45.315 45.680 -0.365 1 1 376 . 12 1 1 A 37 37 GLY HA2 H 37 3.987 4.099 -0.112 1 1 377 . 12 1 1 A 37 37 GLY HA3 H 37 3.987 4.109 -0.122 1 1 378 . 12 1 1 A 37 37 GLY C C 37 174.024 173.921 0.103 1 1 379 . 12 1 1 A 38 38 GLU N N 38 120.586 118.310 2.276 1 1 380 . 12 1 1 A 38 38 GLU H H 38 8.084 7.818 0.266 1 1 381 . 12 1 1 A 38 38 GLU CA C 38 56.427 56.003 0.424 1 1 382 . 12 1 1 A 38 38 GLU HA H 38 4.248 4.400 -0.152 1 1 383 . 12 1 1 A 38 38 GLU CB C 38 30.573 30.775 -0.202 1 1 389 . 12 1 1 A 38 38 GLU C C 38 176.226 175.722 0.504 1 1 390 . 12 1 1 A 39 39 LYS N N 39 123.823 124.544 -0.721 1 1 391 . 12 1 1 A 39 39 LYS H H 39 8.425 8.518 -0.093 1 1 392 . 12 1 1 A 39 39 LYS CA C 39 54.118 54.290 -0.172 1 1 393 . 12 1 1 A 39 39 LYS HA H 39 4.604 4.417 0.187 1 1 394 . 12 1 1 A 39 39 LYS CB C 39 32.536 32.819 -0.283 1 1 406 . 12 1 1 A 39 39 LYS C C 39 174.461 175.376 -0.915 1 1 407 . 12 1 1 A 40 40 PRO CA C 40 63.231 62.859 0.372 1 1 408 . 12 1 1 A 40 40 PRO HA H 40 4.460 4.648 -0.188 1 1 409 . 12 1 1 A 40 40 PRO CB C 40 32.200 32.730 -0.530 1 1 418 . 12 1 1 A 40 40 PRO C C 40 176.951 175.713 1.238 1 1 419 . 12 1 1 A 41 41 SER N N 41 116.497 117.830 -1.333 1 1 420 . 12 1 1 A 41 41 SER H H 41 8.475 8.596 -0.121 1 1 421 . 12 1 1 A 41 41 SER CA C 41 58.375 56.789 1.586 1 1 422 . 12 1 1 A 41 41 SER HA H 41 4.491 4.736 -0.245 1 1 423 . 12 1 1 A 41 41 SER CB C 41 63.953 64.034 -0.081 1 1 425 . 12 1 1 A 41 41 SER C C 41 174.588 174.052 0.536 1 1 426 . 12 1 1 A 42 42 GLY CA C 42 44.665 44.581 0.084 1 1 427 . 12 1 1 A 42 42 GLY HA2 H 42 4.111 4.150 -0.039 1 1 428 . 12 1 1 A 42 42 GLY HA3 H 42 4.153 4.150 0.003 1 1 429 . 12 1 1 A 43 43 PRO CA C 43 63.238 64.960 -1.722 1 1 430 . 12 1 1 A 43 43 PRO HA H 43 4.467 4.353 0.114 1 1 431 . 12 1 1 A 43 43 PRO CB C 43 32.174 31.728 0.446 1 1 440 . 12 1 1 A 45 45 SER CA C 45 58.360 57.284 1.076 1 1 441 . 12 1 1 A 45 45 SER HA H 45 4.482 4.877 -0.395 1 1 442 . 12 1 1 A 45 45 SER CB C 45 64.038 64.386 -0.348 1 1 445 . 12 1 1 A 45 45 SER C C 45 173.890 173.479 0.411 1 1 1 . 13 1 1 A 7 7 GLY CA C 7 45.428 46.196 -0.768 1 1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.031 4.171 -0.140 1 1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.031 4.172 -0.141 1 1 4 . 13 1 1 A 7 7 GLY C C 7 174.504 172.683 1.821 1 1 5 . 13 1 1 A 8 8 THR N N 8 112.847 118.136 -5.289 1 1 6 . 13 1 1 A 8 8 THR H H 8 8.154 8.106 0.048 1 1 7 . 13 1 1 A 8 8 THR CA C 8 61.882 61.946 -0.064 1 1 8 . 13 1 1 A 8 8 THR HA H 8 4.361 4.427 -0.066 1 1 9 . 13 1 1 A 8 8 THR CB C 8 69.841 69.681 0.160 1 1 15 . 13 1 1 A 8 8 THR C C 8 175.257 173.949 1.308 1 1 16 . 13 1 1 A 9 9 GLY N N 9 110.940 114.639 -3.699 1 1 17 . 13 1 1 A 9 9 GLY H H 9 8.452 8.582 -0.130 1 1 18 . 13 1 1 A 9 9 GLY CA C 9 45.278 44.071 1.207 1 1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.920 4.205 -0.285 1 1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.920 4.213 -0.293 1 1 21 . 13 1 1 A 9 9 GLY C C 9 174.062 172.426 1.636 1 1 22 . 13 1 1 A 10 10 GLU N N 10 120.294 119.484 0.810 1 1 23 . 13 1 1 A 10 10 GLU H H 10 8.237 8.458 -0.221 1 1 24 . 13 1 1 A 10 10 GLU CA C 10 56.821 56.003 0.818 1 1 25 . 13 1 1 A 10 10 GLU HA H 10 4.205 4.529 -0.324 1 1 26 . 13 1 1 A 10 10 GLU CB C 10 30.426 29.179 1.247 1 1 32 . 13 1 1 A 10 10 GLU C C 10 176.322 175.087 1.235 1 1 33 . 13 1 1 A 11 11 ARG N N 11 121.374 126.679 -5.305 1 1 34 . 13 1 1 A 11 11 ARG H H 11 8.295 8.089 0.206 1 1 35 . 13 1 1 A 11 11 ARG CA C 11 53.547 52.561 0.986 1 1 36 . 13 1 1 A 11 11 ARG HA H 11 4.539 4.815 -0.276 1 1 37 . 13 1 1 A 11 11 ARG CB C 11 30.672 31.340 -0.668 1 1 45 . 13 1 1 A 11 11 ARG C C 11 173.550 175.626 -2.076 1 1 46 . 13 1 1 A 12 12 PRO CA C 12 63.252 64.869 -1.617 1 1 47 . 13 1 1 A 12 12 PRO HA H 12 4.335 4.265 0.070 1 1 48 . 13 1 1 A 12 12 PRO CB C 12 32.315 31.626 0.689 1 1 57 . 13 1 1 A 12 12 PRO C C 12 176.312 175.897 0.415 1 1 58 . 13 1 1 A 13 13 TYR N N 13 119.535 118.226 1.309 1 1 59 . 13 1 1 A 13 13 TYR H H 13 8.022 7.741 0.281 1 1 60 . 13 1 1 A 13 13 TYR CA C 13 57.666 58.155 -0.489 1 1 61 . 13 1 1 A 13 13 TYR HA H 13 4.597 4.826 -0.229 1 1 62 . 13 1 1 A 13 13 TYR CB C 13 38.476 40.181 -1.705 1 1 73 . 13 1 1 A 13 13 TYR C C 13 174.475 176.267 -1.792 1 1 74 . 13 1 1 A 14 14 ILE N N 14 124.578 121.451 3.127 1 1 75 . 13 1 1 A 14 14 ILE H H 14 8.338 8.722 -0.384 1 1 76 . 13 1 1 A 14 14 ILE CA C 14 59.714 60.470 -0.756 1 1 77 . 13 1 1 A 14 14 ILE HA H 14 4.675 5.019 -0.344 1 1 78 . 13 1 1 A 14 14 ILE CB C 14 40.638 41.672 -1.034 1 1 91 . 13 1 1 A 14 14 ILE C C 14 175.750 174.943 0.807 1 1 92 . 13 1 1 A 15 15 CYS N N 15 128.935 126.999 1.936 1 1 93 . 13 1 1 A 15 15 CYS H H 15 9.278 9.165 0.113 1 1 94 . 13 1 1 A 15 15 CYS CA C 15 59.752 59.930 -0.178 1 1 95 . 13 1 1 A 15 15 CYS HA H 15 4.624 4.694 -0.070 1 1 96 . 13 1 1 A 15 15 CYS CB C 15 29.428 28.791 0.637 1 1 99 . 13 1 1 A 15 15 CYS C C 15 177.330 175.949 1.381 1 1 100 . 13 1 1 A 16 16 THR N N 16 124.216 117.794 6.422 1 1 101 . 13 1 1 A 16 16 THR H H 16 8.902 8.570 0.332 1 1 102 . 13 1 1 A 16 16 THR CA C 16 64.298 62.444 1.854 1 1 103 . 13 1 1 A 16 16 THR HA H 16 4.130 4.428 -0.298 1 1 104 . 13 1 1 A 16 16 THR CB C 16 68.664 70.019 -1.355 1 1 110 . 13 1 1 A 16 16 THR C C 16 174.750 176.172 -1.422 1 1 111 . 13 1 1 A 17 17 VAL N N 17 123.592 121.898 1.694 1 1 112 . 13 1 1 A 17 17 VAL H H 17 8.618 7.309 1.309 1 1 113 . 13 1 1 A 17 17 VAL CA C 17 65.222 66.266 -1.044 1 1 114 . 13 1 1 A 17 17 VAL HA H 17 3.795 3.445 0.350 1 1 115 . 13 1 1 A 17 17 VAL CB C 17 32.714 31.190 1.524 1 1 125 . 13 1 1 A 17 17 VAL C C 17 177.090 177.194 -0.104 1 1 126 . 13 1 1 A 18 18 CYS N N 18 115.099 114.777 0.322 1 1 127 . 13 1 1 A 18 18 CYS H H 18 7.957 7.393 0.564 1 1 128 . 13 1 1 A 18 18 CYS CA C 18 58.176 59.367 -1.191 1 1 129 . 13 1 1 A 18 18 CYS HA H 18 5.159 4.663 0.496 1 1 130 . 13 1 1 A 18 18 CYS CB C 18 32.806 30.190 2.616 1 1 133 . 13 1 1 A 18 18 CYS C C 18 176.462 175.485 0.977 1 1 134 . 13 1 1 A 19 19 GLY N N 19 113.815 109.797 4.018 1 1 135 . 13 1 1 A 19 19 GLY H H 19 8.183 8.484 -0.301 1 1 136 . 13 1 1 A 19 19 GLY CA C 19 46.160 46.316 -0.156 1 1 137 . 13 1 1 A 19 19 GLY HA2 H 19 4.209 3.986 0.223 1 1 138 . 13 1 1 A 19 19 GLY HA3 H 19 3.748 4.005 -0.257 1 1 139 . 13 1 1 A 19 19 GLY C C 19 173.546 174.230 -0.684 1 1 140 . 13 1 1 A 20 20 LYS N N 20 123.111 118.650 4.461 1 1 141 . 13 1 1 A 20 20 LYS H H 20 7.986 7.809 0.177 1 1 142 . 13 1 1 A 20 20 LYS CA C 20 58.320 54.300 4.020 1 1 143 . 13 1 1 A 20 20 LYS HA H 20 3.936 4.861 -0.925 1 1 144 . 13 1 1 A 20 20 LYS CB C 20 33.685 35.801 -2.116 1 1 156 . 13 1 1 A 20 20 LYS C C 20 173.419 174.650 -1.231 1 1 157 . 13 1 1 A 21 21 ALA N N 21 124.165 120.689 3.476 1 1 158 . 13 1 1 A 21 21 ALA H H 21 7.779 8.153 -0.374 1 1 159 . 13 1 1 A 21 21 ALA CA C 21 50.486 50.554 -0.068 1 1 160 . 13 1 1 A 21 21 ALA HA H 21 5.105 5.233 -0.128 1 1 161 . 13 1 1 A 21 21 ALA CB C 21 22.458 22.717 -0.259 1 1 165 . 13 1 1 A 21 21 ALA C C 21 176.756 175.202 1.554 1 1 166 . 13 1 1 A 22 22 PHE N N 22 118.244 118.099 0.145 1 1 167 . 13 1 1 A 22 22 PHE H H 22 8.986 8.653 0.333 1 1 168 . 13 1 1 A 22 22 PHE CA C 22 57.418 56.808 0.610 1 1 169 . 13 1 1 A 22 22 PHE HA H 22 4.717 4.917 -0.200 1 1 170 . 13 1 1 A 22 22 PHE CB C 22 43.231 42.082 1.149 1 1 183 . 13 1 1 A 22 22 PHE C C 22 175.604 175.844 -0.240 1 1 184 . 13 1 1 A 23 23 THR N N 23 112.986 117.328 -4.342 1 1 185 . 13 1 1 A 23 23 THR H H 23 8.941 8.869 0.072 1 1 186 . 13 1 1 A 23 23 THR CA C 23 63.847 65.899 -2.052 1 1 187 . 13 1 1 A 23 23 THR HA H 23 4.470 4.160 0.310 1 1 188 . 13 1 1 A 23 23 THR CB C 23 69.556 68.300 1.256 1 1 194 . 13 1 1 A 23 23 THR C C 23 174.032 174.304 -0.272 1 1 195 . 13 1 1 A 24 24 ASP N N 24 118.330 121.764 -3.434 1 1 196 . 13 1 1 A 24 24 ASP H H 24 7.637 8.013 -0.376 1 1 197 . 13 1 1 A 24 24 ASP CA C 24 52.811 54.055 -1.244 1 1 198 . 13 1 1 A 24 24 ASP HA H 24 4.808 4.925 -0.117 1 1 199 . 13 1 1 A 24 24 ASP CB C 24 43.632 42.706 0.926 1 1 202 . 13 1 1 A 24 24 ASP C C 24 175.092 176.344 -1.252 1 1 203 . 13 1 1 A 25 25 ARG N N 25 124.562 126.020 -1.458 1 1 204 . 13 1 1 A 25 25 ARG H H 25 8.384 8.611 -0.227 1 1 205 . 13 1 1 A 25 25 ARG CA C 25 59.227 58.993 0.234 1 1 206 . 13 1 1 A 25 25 ARG HA H 25 3.139 3.078 0.061 1 1 207 . 13 1 1 A 25 25 ARG CB C 25 29.797 29.216 0.581 1 1 216 . 13 1 1 A 25 25 ARG C C 25 177.768 177.643 0.125 1 1 217 . 13 1 1 A 26 26 SER N N 26 114.310 116.875 -2.565 1 1 218 . 13 1 1 A 26 26 SER H H 26 8.404 7.620 0.784 1 1 219 . 13 1 1 A 26 26 SER CA C 26 61.865 61.876 -0.011 1 1 220 . 13 1 1 A 26 26 SER HA H 26 3.981 4.012 -0.031 1 1 221 . 13 1 1 A 26 26 SER CB C 26 62.116 62.528 -0.412 1 1 224 . 13 1 1 A 26 26 SER C C 26 177.339 176.475 0.864 1 1 225 . 13 1 1 A 27 27 ASN N N 27 120.170 120.409 -0.239 1 1 226 . 13 1 1 A 27 27 ASN H H 27 8.024 8.285 -0.261 1 1 227 . 13 1 1 A 27 27 ASN CA C 27 55.713 56.411 -0.698 1 1 228 . 13 1 1 A 27 27 ASN HA H 27 4.426 4.329 0.097 1 1 229 . 13 1 1 A 27 27 ASN CB C 27 38.343 37.856 0.487 1 1 235 . 13 1 1 A 27 27 ASN C C 27 177.564 177.739 -0.175 1 1 236 . 13 1 1 A 28 28 LEU N N 28 123.285 121.230 2.055 1 1 237 . 13 1 1 A 28 28 LEU H H 28 7.047 7.454 -0.407 1 1 238 . 13 1 1 A 28 28 LEU CA C 28 58.259 58.040 0.219 1 1 239 . 13 1 1 A 28 28 LEU HA H 28 3.147 2.799 0.348 1 1 240 . 13 1 1 A 28 28 LEU CB C 28 40.313 41.344 -1.031 1 1 253 . 13 1 1 A 28 28 LEU C C 28 177.394 178.372 -0.978 1 1 254 . 13 1 1 A 29 29 ILE N N 29 119.714 120.070 -0.356 1 1 255 . 13 1 1 A 29 29 ILE H H 29 8.148 8.062 0.086 1 1 256 . 13 1 1 A 29 29 ILE CA C 29 64.564 65.326 -0.762 1 1 257 . 13 1 1 A 29 29 ILE HA H 29 3.692 3.448 0.244 1 1 258 . 13 1 1 A 29 29 ILE CB C 29 37.503 37.690 -0.187 1 1 271 . 13 1 1 A 29 29 ILE C C 29 179.034 178.554 0.480 1 1 272 . 13 1 1 A 30 30 LYS N N 30 118.869 120.820 -1.951 1 1 273 . 13 1 1 A 30 30 LYS H H 30 7.539 7.746 -0.207 1 1 274 . 13 1 1 A 30 30 LYS CA C 30 59.707 58.892 0.815 1 1 275 . 13 1 1 A 30 30 LYS HA H 30 3.917 3.899 0.018 1 1 276 . 13 1 1 A 30 30 LYS CB C 30 32.807 31.805 1.002 1 1 288 . 13 1 1 A 30 30 LYS C C 30 179.031 178.901 0.130 1 1 289 . 13 1 1 A 31 31 HIS N N 31 118.737 119.304 -0.567 1 1 290 . 13 1 1 A 31 31 HIS H H 31 7.554 8.125 -0.571 1 1 291 . 13 1 1 A 31 31 HIS CA C 31 59.020 59.846 -0.826 1 1 292 . 13 1 1 A 31 31 HIS HA H 31 4.175 4.144 0.031 1 1 293 . 13 1 1 A 31 31 HIS CB C 31 28.480 29.511 -1.031 1 1 300 . 13 1 1 A 31 31 HIS C C 31 176.197 177.067 -0.870 1 1 301 . 13 1 1 A 32 32 GLN N N 32 115.420 117.373 -1.953 1 1 302 . 13 1 1 A 32 32 GLN H H 32 8.379 8.297 0.082 1 1 303 . 13 1 1 A 32 32 GLN CA C 32 59.377 58.822 0.555 1 1 304 . 13 1 1 A 32 32 GLN HA H 32 3.642 3.820 -0.178 1 1 305 . 13 1 1 A 32 32 GLN CB C 32 28.253 28.338 -0.085 1 1 314 . 13 1 1 A 32 32 GLN C C 32 177.510 178.694 -1.184 1 1 315 . 13 1 1 A 33 33 LYS N N 33 117.483 119.798 -2.315 1 1 316 . 13 1 1 A 33 33 LYS H H 33 7.088 7.533 -0.445 1 1 317 . 13 1 1 A 33 33 LYS CA C 33 58.393 59.154 -0.761 1 1 318 . 13 1 1 A 33 33 LYS HA H 33 4.094 4.265 -0.171 1 1 319 . 13 1 1 A 33 33 LYS CB C 33 32.312 32.556 -0.244 1 1 331 . 13 1 1 A 33 33 LYS C C 33 178.685 179.325 -0.640 1 1 332 . 13 1 1 A 34 34 ILE N N 34 116.168 117.292 -1.124 1 1 333 . 13 1 1 A 34 34 ILE H H 34 7.815 7.731 0.084 1 1 334 . 13 1 1 A 34 34 ILE CA C 34 63.019 64.005 -0.986 1 1 335 . 13 1 1 A 34 34 ILE HA H 34 3.979 3.705 0.274 1 1 336 . 13 1 1 A 34 34 ILE CB C 34 37.697 37.147 0.550 1 1 349 . 13 1 1 A 34 34 ILE C C 34 177.346 176.812 0.534 1 1 350 . 13 1 1 A 35 35 HIS N N 35 117.330 119.313 -1.983 1 1 351 . 13 1 1 A 35 35 HIS H H 35 7.193 7.355 -0.162 1 1 352 . 13 1 1 A 35 35 HIS CA C 35 54.932 57.858 -2.926 1 1 353 . 13 1 1 A 35 35 HIS HA H 35 4.916 4.425 0.491 1 1 354 . 13 1 1 A 35 35 HIS CB C 35 28.387 30.925 -2.538 1 1 361 . 13 1 1 A 35 35 HIS C C 35 175.585 175.188 0.397 1 1 362 . 13 1 1 A 36 36 THR N N 36 112.446 112.264 0.182 1 1 363 . 13 1 1 A 36 36 THR H H 36 7.752 7.670 0.082 1 1 364 . 13 1 1 A 36 36 THR CA C 36 62.671 61.432 1.239 1 1 365 . 13 1 1 A 36 36 THR HA H 36 4.329 4.293 0.036 1 1 366 . 13 1 1 A 36 36 THR CB C 36 69.763 69.769 -0.006 1 1 372 . 13 1 1 A 36 36 THR C C 36 175.346 174.769 0.577 1 1 373 . 13 1 1 A 37 37 GLY N N 37 110.884 111.103 -0.219 1 1 374 . 13 1 1 A 37 37 GLY H H 37 8.312 8.666 -0.354 1 1 375 . 13 1 1 A 37 37 GLY CA C 37 45.315 46.381 -1.066 1 1 376 . 13 1 1 A 37 37 GLY HA2 H 37 3.987 4.234 -0.247 1 1 377 . 13 1 1 A 37 37 GLY HA3 H 37 3.987 4.242 -0.255 1 1 378 . 13 1 1 A 37 37 GLY C C 37 174.024 174.236 -0.212 1 1 379 . 13 1 1 A 38 38 GLU N N 38 120.586 121.803 -1.217 1 1 380 . 13 1 1 A 38 38 GLU H H 38 8.084 8.499 -0.415 1 1 381 . 13 1 1 A 38 38 GLU CA C 38 56.427 57.998 -1.571 1 1 382 . 13 1 1 A 38 38 GLU HA H 38 4.248 4.406 -0.158 1 1 383 . 13 1 1 A 38 38 GLU CB C 38 30.573 30.753 -0.180 1 1 389 . 13 1 1 A 38 38 GLU C C 38 176.226 177.011 -0.785 1 1 390 . 13 1 1 A 39 39 LYS N N 39 123.823 120.282 3.541 1 1 391 . 13 1 1 A 39 39 LYS H H 39 8.425 7.530 0.895 1 1 392 . 13 1 1 A 39 39 LYS CA C 39 54.118 54.628 -0.510 1 1 393 . 13 1 1 A 39 39 LYS HA H 39 4.604 4.219 0.385 1 1 394 . 13 1 1 A 39 39 LYS CB C 39 32.536 33.505 -0.969 1 1 406 . 13 1 1 A 39 39 LYS C C 39 174.461 176.690 -2.229 1 1 407 . 13 1 1 A 40 40 PRO CA C 40 63.231 63.783 -0.552 1 1 408 . 13 1 1 A 40 40 PRO HA H 40 4.460 4.395 0.065 1 1 409 . 13 1 1 A 40 40 PRO CB C 40 32.200 32.001 0.199 1 1 418 . 13 1 1 A 40 40 PRO C C 40 176.951 177.423 -0.472 1 1 419 . 13 1 1 A 41 41 SER N N 41 116.497 114.018 2.479 1 1 420 . 13 1 1 A 41 41 SER H H 41 8.475 8.027 0.448 1 1 421 . 13 1 1 A 41 41 SER CA C 41 58.375 59.307 -0.932 1 1 422 . 13 1 1 A 41 41 SER HA H 41 4.491 4.138 0.353 1 1 423 . 13 1 1 A 41 41 SER CB C 41 63.953 61.749 2.204 1 1 425 . 13 1 1 A 41 41 SER C C 41 174.588 174.823 -0.235 1 1 426 . 13 1 1 A 42 42 GLY CA C 42 44.665 47.448 -2.783 1 1 427 . 13 1 1 A 42 42 GLY HA2 H 42 4.111 3.752 0.359 1 1 428 . 13 1 1 A 42 42 GLY HA3 H 42 4.153 3.753 0.400 1 1 429 . 13 1 1 A 43 43 PRO CA C 43 63.238 65.393 -2.155 1 1 430 . 13 1 1 A 43 43 PRO HA H 43 4.467 4.283 0.184 1 1 431 . 13 1 1 A 43 43 PRO CB C 43 32.174 30.639 1.535 1 1 440 . 13 1 1 A 45 45 SER CA C 45 58.360 56.896 1.464 1 1 441 . 13 1 1 A 45 45 SER HA H 45 4.482 4.996 -0.514 1 1 442 . 13 1 1 A 45 45 SER CB C 45 64.038 66.317 -2.279 1 1 445 . 13 1 1 A 45 45 SER C C 45 173.890 173.031 0.859 1 1 1 . 14 1 1 A 7 7 GLY CA C 7 45.428 44.395 1.033 1 1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.031 4.053 -0.022 1 1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.031 4.054 -0.023 1 1 4 . 14 1 1 A 7 7 GLY C C 7 174.504 173.954 0.550 1 1 5 . 14 1 1 A 8 8 THR N N 8 112.847 116.963 -4.116 1 1 6 . 14 1 1 A 8 8 THR H H 8 8.154 8.525 -0.371 1 1 7 . 14 1 1 A 8 8 THR CA C 8 61.882 64.868 -2.986 1 1 8 . 14 1 1 A 8 8 THR HA H 8 4.361 3.979 0.382 1 1 9 . 14 1 1 A 8 8 THR CB C 8 69.841 68.706 1.135 1 1 15 . 14 1 1 A 8 8 THR C C 8 175.257 174.837 0.420 1 1 16 . 14 1 1 A 9 9 GLY N N 9 110.940 111.512 -0.572 1 1 17 . 14 1 1 A 9 9 GLY H H 9 8.452 8.547 -0.095 1 1 18 . 14 1 1 A 9 9 GLY CA C 9 45.278 45.394 -0.116 1 1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.920 4.121 -0.201 1 1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.920 4.126 -0.206 1 1 21 . 14 1 1 A 9 9 GLY C C 9 174.062 172.251 1.811 1 1 22 . 14 1 1 A 10 10 GLU N N 10 120.294 125.321 -5.027 1 1 23 . 14 1 1 A 10 10 GLU H H 10 8.237 8.767 -0.530 1 1 24 . 14 1 1 A 10 10 GLU CA C 10 56.821 54.540 2.281 1 1 25 . 14 1 1 A 10 10 GLU HA H 10 4.205 5.072 -0.867 1 1 26 . 14 1 1 A 10 10 GLU CB C 10 30.426 33.213 -2.787 1 1 32 . 14 1 1 A 10 10 GLU C C 10 176.322 175.311 1.011 1 1 33 . 14 1 1 A 11 11 ARG N N 11 121.374 121.653 -0.279 1 1 34 . 14 1 1 A 11 11 ARG H H 11 8.295 8.236 0.059 1 1 35 . 14 1 1 A 11 11 ARG CA C 11 53.547 52.859 0.688 1 1 36 . 14 1 1 A 11 11 ARG HA H 11 4.539 4.789 -0.250 1 1 37 . 14 1 1 A 11 11 ARG CB C 11 30.672 33.051 -2.379 1 1 45 . 14 1 1 A 11 11 ARG C C 11 173.550 175.891 -2.341 1 1 46 . 14 1 1 A 12 12 PRO CA C 12 63.252 64.693 -1.441 1 1 47 . 14 1 1 A 12 12 PRO HA H 12 4.335 4.235 0.100 1 1 48 . 14 1 1 A 12 12 PRO CB C 12 32.315 31.704 0.611 1 1 57 . 14 1 1 A 12 12 PRO C C 12 176.312 175.772 0.540 1 1 58 . 14 1 1 A 13 13 TYR N N 13 119.535 117.857 1.678 1 1 59 . 14 1 1 A 13 13 TYR H H 13 8.022 7.071 0.951 1 1 60 . 14 1 1 A 13 13 TYR CA C 13 57.666 56.960 0.706 1 1 61 . 14 1 1 A 13 13 TYR HA H 13 4.597 5.229 -0.632 1 1 62 . 14 1 1 A 13 13 TYR CB C 13 38.476 41.515 -3.039 1 1 73 . 14 1 1 A 13 13 TYR C C 13 174.475 174.885 -0.410 1 1 74 . 14 1 1 A 14 14 ILE N N 14 124.578 121.515 3.063 1 1 75 . 14 1 1 A 14 14 ILE H H 14 8.338 8.757 -0.419 1 1 76 . 14 1 1 A 14 14 ILE CA C 14 59.714 60.187 -0.473 1 1 77 . 14 1 1 A 14 14 ILE HA H 14 4.675 5.009 -0.334 1 1 78 . 14 1 1 A 14 14 ILE CB C 14 40.638 42.001 -1.363 1 1 91 . 14 1 1 A 14 14 ILE C C 14 175.750 175.280 0.470 1 1 92 . 14 1 1 A 15 15 CYS N N 15 128.935 127.191 1.744 1 1 93 . 14 1 1 A 15 15 CYS H H 15 9.278 9.505 -0.227 1 1 94 . 14 1 1 A 15 15 CYS CA C 15 59.752 59.733 0.019 1 1 95 . 14 1 1 A 15 15 CYS HA H 15 4.624 4.644 -0.020 1 1 96 . 14 1 1 A 15 15 CYS CB C 15 29.428 28.333 1.095 1 1 99 . 14 1 1 A 15 15 CYS C C 15 177.330 176.161 1.169 1 1 100 . 14 1 1 A 16 16 THR N N 16 124.216 122.887 1.329 1 1 101 . 14 1 1 A 16 16 THR H H 16 8.902 9.005 -0.103 1 1 102 . 14 1 1 A 16 16 THR CA C 16 64.298 62.124 2.174 1 1 103 . 14 1 1 A 16 16 THR HA H 16 4.130 4.523 -0.393 1 1 104 . 14 1 1 A 16 16 THR CB C 16 68.664 68.566 0.098 1 1 110 . 14 1 1 A 16 16 THR C C 16 174.750 175.425 -0.675 1 1 111 . 14 1 1 A 17 17 VAL N N 17 123.592 120.371 3.221 1 1 112 . 14 1 1 A 17 17 VAL H H 17 8.618 7.948 0.670 1 1 113 . 14 1 1 A 17 17 VAL CA C 17 65.222 63.564 1.658 1 1 114 . 14 1 1 A 17 17 VAL HA H 17 3.795 4.149 -0.354 1 1 115 . 14 1 1 A 17 17 VAL CB C 17 32.714 33.632 -0.918 1 1 125 . 14 1 1 A 17 17 VAL C C 17 177.090 177.235 -0.145 1 1 126 . 14 1 1 A 18 18 CYS N N 18 115.099 115.332 -0.233 1 1 127 . 14 1 1 A 18 18 CYS H H 18 7.957 8.082 -0.125 1 1 128 . 14 1 1 A 18 18 CYS CA C 18 58.176 59.514 -1.338 1 1 129 . 14 1 1 A 18 18 CYS HA H 18 5.159 4.579 0.580 1 1 130 . 14 1 1 A 18 18 CYS CB C 18 32.806 29.857 2.949 1 1 133 . 14 1 1 A 18 18 CYS C C 18 176.462 175.366 1.096 1 1 134 . 14 1 1 A 19 19 GLY N N 19 113.815 110.298 3.517 1 1 135 . 14 1 1 A 19 19 GLY H H 19 8.183 7.844 0.339 1 1 136 . 14 1 1 A 19 19 GLY CA C 19 46.160 45.490 0.670 1 1 137 . 14 1 1 A 19 19 GLY HA2 H 19 4.209 4.042 0.167 1 1 138 . 14 1 1 A 19 19 GLY HA3 H 19 3.748 4.056 -0.308 1 1 139 . 14 1 1 A 19 19 GLY C C 19 173.546 174.380 -0.834 1 1 140 . 14 1 1 A 20 20 LYS N N 20 123.111 121.188 1.923 1 1 141 . 14 1 1 A 20 20 LYS H H 20 7.986 7.881 0.105 1 1 142 . 14 1 1 A 20 20 LYS CA C 20 58.320 55.005 3.315 1 1 143 . 14 1 1 A 20 20 LYS HA H 20 3.936 4.601 -0.665 1 1 144 . 14 1 1 A 20 20 LYS CB C 20 33.685 34.493 -0.808 1 1 156 . 14 1 1 A 20 20 LYS C C 20 173.419 175.267 -1.848 1 1 157 . 14 1 1 A 21 21 ALA N N 21 124.165 126.963 -2.798 1 1 158 . 14 1 1 A 21 21 ALA H H 21 7.779 8.518 -0.739 1 1 159 . 14 1 1 A 21 21 ALA CA C 21 50.486 50.046 0.440 1 1 160 . 14 1 1 A 21 21 ALA HA H 21 5.105 5.494 -0.389 1 1 161 . 14 1 1 A 21 21 ALA CB C 21 22.458 22.446 0.012 1 1 165 . 14 1 1 A 21 21 ALA C C 21 176.756 176.148 0.608 1 1 166 . 14 1 1 A 22 22 PHE N N 22 118.244 117.909 0.335 1 1 167 . 14 1 1 A 22 22 PHE H H 22 8.986 8.788 0.198 1 1 168 . 14 1 1 A 22 22 PHE CA C 22 57.418 56.768 0.650 1 1 169 . 14 1 1 A 22 22 PHE HA H 22 4.717 4.878 -0.161 1 1 170 . 14 1 1 A 22 22 PHE CB C 22 43.231 42.590 0.641 1 1 183 . 14 1 1 A 22 22 PHE C C 22 175.604 176.037 -0.433 1 1 184 . 14 1 1 A 23 23 THR N N 23 112.986 116.309 -3.323 1 1 185 . 14 1 1 A 23 23 THR H H 23 8.941 8.658 0.283 1 1 186 . 14 1 1 A 23 23 THR CA C 23 63.847 65.712 -1.865 1 1 187 . 14 1 1 A 23 23 THR HA H 23 4.470 4.224 0.246 1 1 188 . 14 1 1 A 23 23 THR CB C 23 69.556 68.775 0.781 1 1 194 . 14 1 1 A 23 23 THR C C 23 174.032 174.326 -0.294 1 1 195 . 14 1 1 A 24 24 ASP N N 24 118.330 121.406 -3.076 1 1 196 . 14 1 1 A 24 24 ASP H H 24 7.637 8.038 -0.401 1 1 197 . 14 1 1 A 24 24 ASP CA C 24 52.811 53.587 -0.776 1 1 198 . 14 1 1 A 24 24 ASP HA H 24 4.808 4.977 -0.169 1 1 199 . 14 1 1 A 24 24 ASP CB C 24 43.632 42.881 0.751 1 1 202 . 14 1 1 A 24 24 ASP C C 24 175.092 176.343 -1.251 1 1 203 . 14 1 1 A 25 25 ARG N N 25 124.562 125.815 -1.253 1 1 204 . 14 1 1 A 25 25 ARG H H 25 8.384 8.539 -0.155 1 1 205 . 14 1 1 A 25 25 ARG CA C 25 59.227 58.863 0.364 1 1 206 . 14 1 1 A 25 25 ARG HA H 25 3.139 2.835 0.304 1 1 207 . 14 1 1 A 25 25 ARG CB C 25 29.797 29.232 0.565 1 1 216 . 14 1 1 A 25 25 ARG C C 25 177.768 177.316 0.452 1 1 217 . 14 1 1 A 26 26 SER N N 26 114.310 114.088 0.222 1 1 218 . 14 1 1 A 26 26 SER H H 26 8.404 7.634 0.770 1 1 219 . 14 1 1 A 26 26 SER CA C 26 61.865 61.588 0.277 1 1 220 . 14 1 1 A 26 26 SER HA H 26 3.981 3.972 0.009 1 1 221 . 14 1 1 A 26 26 SER CB C 26 62.116 62.994 -0.878 1 1 224 . 14 1 1 A 26 26 SER C C 26 177.339 177.406 -0.067 1 1 225 . 14 1 1 A 27 27 ASN N N 27 120.170 120.167 0.003 1 1 226 . 14 1 1 A 27 27 ASN H H 27 8.024 8.239 -0.215 1 1 227 . 14 1 1 A 27 27 ASN CA C 27 55.713 56.719 -1.006 1 1 228 . 14 1 1 A 27 27 ASN HA H 27 4.426 4.501 -0.075 1 1 229 . 14 1 1 A 27 27 ASN CB C 27 38.343 38.389 -0.046 1 1 235 . 14 1 1 A 27 27 ASN C C 27 177.564 177.677 -0.113 1 1 236 . 14 1 1 A 28 28 LEU N N 28 123.285 119.300 3.985 1 1 237 . 14 1 1 A 28 28 LEU H H 28 7.047 7.491 -0.444 1 1 238 . 14 1 1 A 28 28 LEU CA C 28 58.259 57.017 1.242 1 1 239 . 14 1 1 A 28 28 LEU HA H 28 3.147 2.931 0.216 1 1 240 . 14 1 1 A 28 28 LEU CB C 28 40.313 41.361 -1.048 1 1 253 . 14 1 1 A 28 28 LEU C C 28 177.394 178.419 -1.025 1 1 254 . 14 1 1 A 29 29 ILE N N 29 119.714 120.118 -0.404 1 1 255 . 14 1 1 A 29 29 ILE H H 29 8.148 7.858 0.290 1 1 256 . 14 1 1 A 29 29 ILE CA C 29 64.564 65.071 -0.507 1 1 257 . 14 1 1 A 29 29 ILE HA H 29 3.692 3.475 0.217 1 1 258 . 14 1 1 A 29 29 ILE CB C 29 37.503 37.213 0.290 1 1 271 . 14 1 1 A 29 29 ILE C C 29 179.034 178.335 0.699 1 1 272 . 14 1 1 A 30 30 LYS N N 30 118.869 120.657 -1.788 1 1 273 . 14 1 1 A 30 30 LYS H H 30 7.539 8.533 -0.994 1 1 274 . 14 1 1 A 30 30 LYS CA C 30 59.707 58.717 0.990 1 1 275 . 14 1 1 A 30 30 LYS HA H 30 3.917 4.071 -0.154 1 1 276 . 14 1 1 A 30 30 LYS CB C 30 32.807 31.689 1.118 1 1 288 . 14 1 1 A 30 30 LYS C C 30 179.031 178.572 0.459 1 1 289 . 14 1 1 A 31 31 HIS N N 31 118.737 119.697 -0.960 1 1 290 . 14 1 1 A 31 31 HIS H H 31 7.554 8.101 -0.547 1 1 291 . 14 1 1 A 31 31 HIS CA C 31 59.020 59.381 -0.361 1 1 292 . 14 1 1 A 31 31 HIS HA H 31 4.175 4.237 -0.062 1 1 293 . 14 1 1 A 31 31 HIS CB C 31 28.480 29.932 -1.452 1 1 300 . 14 1 1 A 31 31 HIS C C 31 176.197 177.253 -1.056 1 1 301 . 14 1 1 A 32 32 GLN N N 32 115.420 117.924 -2.504 1 1 302 . 14 1 1 A 32 32 GLN H H 32 8.379 8.552 -0.173 1 1 303 . 14 1 1 A 32 32 GLN CA C 32 59.377 59.024 0.353 1 1 304 . 14 1 1 A 32 32 GLN HA H 32 3.642 3.945 -0.303 1 1 305 . 14 1 1 A 32 32 GLN CB C 32 28.253 28.413 -0.160 1 1 314 . 14 1 1 A 32 32 GLN C C 32 177.510 178.720 -1.210 1 1 315 . 14 1 1 A 33 33 LYS N N 33 117.483 119.573 -2.090 1 1 316 . 14 1 1 A 33 33 LYS H H 33 7.088 7.871 -0.783 1 1 317 . 14 1 1 A 33 33 LYS CA C 33 58.393 59.181 -0.788 1 1 318 . 14 1 1 A 33 33 LYS HA H 33 4.094 4.050 0.044 1 1 319 . 14 1 1 A 33 33 LYS CB C 33 32.312 32.565 -0.253 1 1 331 . 14 1 1 A 33 33 LYS C C 33 178.685 179.218 -0.533 1 1 332 . 14 1 1 A 34 34 ILE N N 34 116.168 117.460 -1.292 1 1 333 . 14 1 1 A 34 34 ILE H H 34 7.815 7.747 0.068 1 1 334 . 14 1 1 A 34 34 ILE CA C 34 63.019 63.744 -0.725 1 1 335 . 14 1 1 A 34 34 ILE HA H 34 3.979 3.697 0.282 1 1 336 . 14 1 1 A 34 34 ILE CB C 34 37.697 37.131 0.566 1 1 349 . 14 1 1 A 34 34 ILE C C 34 177.346 176.710 0.636 1 1 350 . 14 1 1 A 35 35 HIS N N 35 117.330 119.413 -2.083 1 1 351 . 14 1 1 A 35 35 HIS H H 35 7.193 7.407 -0.214 1 1 352 . 14 1 1 A 35 35 HIS CA C 35 54.932 57.828 -2.896 1 1 353 . 14 1 1 A 35 35 HIS HA H 35 4.916 4.519 0.397 1 1 354 . 14 1 1 A 35 35 HIS CB C 35 28.387 31.468 -3.081 1 1 361 . 14 1 1 A 35 35 HIS C C 35 175.585 175.543 0.042 1 1 362 . 14 1 1 A 36 36 THR N N 36 112.446 113.482 -1.036 1 1 363 . 14 1 1 A 36 36 THR H H 36 7.752 7.804 -0.052 1 1 364 . 14 1 1 A 36 36 THR CA C 36 62.671 60.588 2.083 1 1 365 . 14 1 1 A 36 36 THR HA H 36 4.329 4.528 -0.199 1 1 366 . 14 1 1 A 36 36 THR CB C 36 69.763 68.969 0.794 1 1 372 . 14 1 1 A 36 36 THR C C 36 175.346 174.067 1.279 1 1 373 . 14 1 1 A 37 37 GLY N N 37 110.884 112.922 -2.038 1 1 374 . 14 1 1 A 37 37 GLY H H 37 8.312 8.162 0.150 1 1 375 . 14 1 1 A 37 37 GLY CA C 37 45.315 46.244 -0.929 1 1 376 . 14 1 1 A 37 37 GLY HA2 H 37 3.987 4.101 -0.114 1 1 377 . 14 1 1 A 37 37 GLY HA3 H 37 3.987 4.112 -0.125 1 1 378 . 14 1 1 A 37 37 GLY C C 37 174.024 174.913 -0.889 1 1 379 . 14 1 1 A 38 38 GLU N N 38 120.586 122.079 -1.493 1 1 380 . 14 1 1 A 38 38 GLU H H 38 8.084 8.648 -0.564 1 1 381 . 14 1 1 A 38 38 GLU CA C 38 56.427 59.229 -2.802 1 1 382 . 14 1 1 A 38 38 GLU HA H 38 4.248 4.059 0.189 1 1 383 . 14 1 1 A 38 38 GLU CB C 38 30.573 29.406 1.167 1 1 389 . 14 1 1 A 38 38 GLU C C 38 176.226 177.129 -0.903 1 1 390 . 14 1 1 A 39 39 LYS N N 39 123.823 117.319 6.504 1 1 391 . 14 1 1 A 39 39 LYS H H 39 8.425 7.573 0.852 1 1 392 . 14 1 1 A 39 39 LYS CA C 39 54.118 55.045 -0.927 1 1 393 . 14 1 1 A 39 39 LYS HA H 39 4.604 4.565 0.039 1 1 394 . 14 1 1 A 39 39 LYS CB C 39 32.536 32.403 0.133 1 1 406 . 14 1 1 A 39 39 LYS C C 39 174.461 175.382 -0.921 1 1 407 . 14 1 1 A 40 40 PRO CA C 40 63.231 62.772 0.459 1 1 408 . 14 1 1 A 40 40 PRO HA H 40 4.460 4.632 -0.172 1 1 409 . 14 1 1 A 40 40 PRO CB C 40 32.200 31.692 0.508 1 1 418 . 14 1 1 A 40 40 PRO C C 40 176.951 177.529 -0.578 1 1 419 . 14 1 1 A 41 41 SER N N 41 116.497 119.983 -3.486 1 1 420 . 14 1 1 A 41 41 SER H H 41 8.475 8.809 -0.334 1 1 421 . 14 1 1 A 41 41 SER CA C 41 58.375 60.421 -2.046 1 1 422 . 14 1 1 A 41 41 SER HA H 41 4.491 4.144 0.347 1 1 423 . 14 1 1 A 41 41 SER CB C 41 63.953 63.213 0.740 1 1 425 . 14 1 1 A 41 41 SER C C 41 174.588 174.407 0.181 1 1 426 . 14 1 1 A 42 42 GLY CA C 42 44.665 44.805 -0.140 1 1 427 . 14 1 1 A 42 42 GLY HA2 H 42 4.111 4.020 0.091 1 1 428 . 14 1 1 A 42 42 GLY HA3 H 42 4.153 4.021 0.132 1 1 429 . 14 1 1 A 43 43 PRO CA C 43 63.238 63.577 -0.339 1 1 430 . 14 1 1 A 43 43 PRO HA H 43 4.467 4.598 -0.131 1 1 431 . 14 1 1 A 43 43 PRO CB C 43 32.174 32.356 -0.182 1 1 440 . 14 1 1 A 45 45 SER CA C 45 58.360 60.332 -1.972 1 1 441 . 14 1 1 A 45 45 SER HA H 45 4.482 4.178 0.304 1 1 442 . 14 1 1 A 45 45 SER CB C 45 64.038 63.202 0.836 1 1 445 . 14 1 1 A 45 45 SER C C 45 173.890 174.803 -0.913 1 1 1 . 15 1 1 A 7 7 GLY CA C 7 45.428 44.901 0.527 1 1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.031 4.194 -0.163 1 1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.031 4.196 -0.165 1 1 4 . 15 1 1 A 7 7 GLY C C 7 174.504 174.602 -0.098 1 1 5 . 15 1 1 A 8 8 THR N N 8 112.847 117.550 -4.703 1 1 6 . 15 1 1 A 8 8 THR H H 8 8.154 8.757 -0.603 1 1 7 . 15 1 1 A 8 8 THR CA C 8 61.882 65.486 -3.604 1 1 8 . 15 1 1 A 8 8 THR HA H 8 4.361 4.131 0.230 1 1 9 . 15 1 1 A 8 8 THR CB C 8 69.841 69.642 0.199 1 1 15 . 15 1 1 A 8 8 THR C C 8 175.257 175.002 0.255 1 1 16 . 15 1 1 A 9 9 GLY N N 9 110.940 107.035 3.905 1 1 17 . 15 1 1 A 9 9 GLY H H 9 8.452 7.712 0.740 1 1 18 . 15 1 1 A 9 9 GLY CA C 9 45.278 44.297 0.981 1 1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.920 4.027 -0.107 1 1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.920 4.029 -0.109 1 1 21 . 15 1 1 A 9 9 GLY C C 9 174.062 173.352 0.710 1 1 22 . 15 1 1 A 10 10 GLU N N 10 120.294 118.865 1.429 1 1 23 . 15 1 1 A 10 10 GLU H H 10 8.237 8.597 -0.360 1 1 24 . 15 1 1 A 10 10 GLU CA C 10 56.821 55.763 1.058 1 1 25 . 15 1 1 A 10 10 GLU HA H 10 4.205 4.588 -0.383 1 1 26 . 15 1 1 A 10 10 GLU CB C 10 30.426 30.448 -0.022 1 1 32 . 15 1 1 A 10 10 GLU C C 10 176.322 174.577 1.745 1 1 33 . 15 1 1 A 11 11 ARG N N 11 121.374 118.958 2.416 1 1 34 . 15 1 1 A 11 11 ARG H H 11 8.295 7.524 0.771 1 1 35 . 15 1 1 A 11 11 ARG CA C 11 53.547 52.712 0.835 1 1 36 . 15 1 1 A 11 11 ARG HA H 11 4.539 4.815 -0.276 1 1 37 . 15 1 1 A 11 11 ARG CB C 11 30.672 32.078 -1.406 1 1 45 . 15 1 1 A 11 11 ARG C C 11 173.550 175.735 -2.185 1 1 46 . 15 1 1 A 12 12 PRO CA C 12 63.252 64.849 -1.597 1 1 47 . 15 1 1 A 12 12 PRO HA H 12 4.335 4.288 0.047 1 1 48 . 15 1 1 A 12 12 PRO CB C 12 32.315 31.517 0.798 1 1 57 . 15 1 1 A 12 12 PRO C C 12 176.312 175.912 0.400 1 1 58 . 15 1 1 A 13 13 TYR N N 13 119.535 117.445 2.090 1 1 59 . 15 1 1 A 13 13 TYR H H 13 8.022 7.712 0.310 1 1 60 . 15 1 1 A 13 13 TYR CA C 13 57.666 58.138 -0.472 1 1 61 . 15 1 1 A 13 13 TYR HA H 13 4.597 4.853 -0.256 1 1 62 . 15 1 1 A 13 13 TYR CB C 13 38.476 39.665 -1.189 1 1 73 . 15 1 1 A 13 13 TYR C C 13 174.475 175.980 -1.505 1 1 74 . 15 1 1 A 14 14 ILE N N 14 124.578 123.171 1.407 1 1 75 . 15 1 1 A 14 14 ILE H H 14 8.338 8.808 -0.470 1 1 76 . 15 1 1 A 14 14 ILE CA C 14 59.714 60.297 -0.583 1 1 77 . 15 1 1 A 14 14 ILE HA H 14 4.675 5.060 -0.385 1 1 78 . 15 1 1 A 14 14 ILE CB C 14 40.638 41.427 -0.789 1 1 91 . 15 1 1 A 14 14 ILE C C 14 175.750 175.036 0.714 1 1 92 . 15 1 1 A 15 15 CYS N N 15 128.935 126.973 1.962 1 1 93 . 15 1 1 A 15 15 CYS H H 15 9.278 9.365 -0.087 1 1 94 . 15 1 1 A 15 15 CYS CA C 15 59.752 60.035 -0.283 1 1 95 . 15 1 1 A 15 15 CYS HA H 15 4.624 4.595 0.029 1 1 96 . 15 1 1 A 15 15 CYS CB C 15 29.428 28.538 0.890 1 1 99 . 15 1 1 A 15 15 CYS C C 15 177.330 174.602 2.728 1 1 100 . 15 1 1 A 16 16 THR N N 16 124.216 119.906 4.310 1 1 101 . 15 1 1 A 16 16 THR H H 16 8.902 8.564 0.338 1 1 102 . 15 1 1 A 16 16 THR CA C 16 64.298 64.567 -0.269 1 1 103 . 15 1 1 A 16 16 THR HA H 16 4.130 4.403 -0.273 1 1 104 . 15 1 1 A 16 16 THR CB C 16 68.664 70.296 -1.632 1 1 110 . 15 1 1 A 16 16 THR C C 16 174.750 176.369 -1.619 1 1 111 . 15 1 1 A 17 17 VAL N N 17 123.592 121.250 2.342 1 1 112 . 15 1 1 A 17 17 VAL H H 17 8.618 7.357 1.261 1 1 113 . 15 1 1 A 17 17 VAL CA C 17 65.222 66.363 -1.141 1 1 114 . 15 1 1 A 17 17 VAL HA H 17 3.795 3.454 0.341 1 1 115 . 15 1 1 A 17 17 VAL CB C 17 32.714 31.195 1.519 1 1 125 . 15 1 1 A 17 17 VAL C C 17 177.090 176.930 0.160 1 1 126 . 15 1 1 A 18 18 CYS N N 18 115.099 114.781 0.318 1 1 127 . 15 1 1 A 18 18 CYS H H 18 7.957 7.549 0.408 1 1 128 . 15 1 1 A 18 18 CYS CA C 18 58.176 59.324 -1.148 1 1 129 . 15 1 1 A 18 18 CYS HA H 18 5.159 4.663 0.496 1 1 130 . 15 1 1 A 18 18 CYS CB C 18 32.806 30.264 2.542 1 1 133 . 15 1 1 A 18 18 CYS C C 18 176.462 175.607 0.855 1 1 134 . 15 1 1 A 19 19 GLY N N 19 113.815 110.227 3.588 1 1 135 . 15 1 1 A 19 19 GLY H H 19 8.183 8.304 -0.121 1 1 136 . 15 1 1 A 19 19 GLY CA C 19 46.160 45.965 0.195 1 1 137 . 15 1 1 A 19 19 GLY HA2 H 19 4.209 4.001 0.208 1 1 138 . 15 1 1 A 19 19 GLY HA3 H 19 3.748 4.014 -0.266 1 1 139 . 15 1 1 A 19 19 GLY C C 19 173.546 174.333 -0.787 1 1 140 . 15 1 1 A 20 20 LYS N N 20 123.111 120.562 2.549 1 1 141 . 15 1 1 A 20 20 LYS H H 20 7.986 7.733 0.253 1 1 142 . 15 1 1 A 20 20 LYS CA C 20 58.320 54.847 3.473 1 1 143 . 15 1 1 A 20 20 LYS HA H 20 3.936 4.581 -0.645 1 1 144 . 15 1 1 A 20 20 LYS CB C 20 33.685 34.477 -0.792 1 1 156 . 15 1 1 A 20 20 LYS C C 20 173.419 175.267 -1.848 1 1 157 . 15 1 1 A 21 21 ALA N N 21 124.165 127.436 -3.271 1 1 158 . 15 1 1 A 21 21 ALA H H 21 7.779 8.601 -0.822 1 1 159 . 15 1 1 A 21 21 ALA CA C 21 50.486 50.188 0.298 1 1 160 . 15 1 1 A 21 21 ALA HA H 21 5.105 5.357 -0.252 1 1 161 . 15 1 1 A 21 21 ALA CB C 21 22.458 21.751 0.707 1 1 165 . 15 1 1 A 21 21 ALA C C 21 176.756 176.246 0.510 1 1 166 . 15 1 1 A 22 22 PHE N N 22 118.244 117.899 0.345 1 1 167 . 15 1 1 A 22 22 PHE H H 22 8.986 8.912 0.074 1 1 168 . 15 1 1 A 22 22 PHE CA C 22 57.418 56.775 0.643 1 1 169 . 15 1 1 A 22 22 PHE HA H 22 4.717 4.971 -0.254 1 1 170 . 15 1 1 A 22 22 PHE CB C 22 43.231 43.256 -0.025 1 1 183 . 15 1 1 A 22 22 PHE C C 22 175.604 175.721 -0.117 1 1 184 . 15 1 1 A 23 23 THR N N 23 112.986 115.122 -2.136 1 1 185 . 15 1 1 A 23 23 THR H H 23 8.941 8.835 0.106 1 1 186 . 15 1 1 A 23 23 THR CA C 23 63.847 64.142 -0.295 1 1 187 . 15 1 1 A 23 23 THR HA H 23 4.470 4.436 0.034 1 1 188 . 15 1 1 A 23 23 THR CB C 23 69.556 69.009 0.547 1 1 194 . 15 1 1 A 23 23 THR C C 23 174.032 173.674 0.358 1 1 195 . 15 1 1 A 24 24 ASP N N 24 118.330 121.921 -3.591 1 1 196 . 15 1 1 A 24 24 ASP H H 24 7.637 8.015 -0.378 1 1 197 . 15 1 1 A 24 24 ASP CA C 24 52.811 53.895 -1.084 1 1 198 . 15 1 1 A 24 24 ASP HA H 24 4.808 4.676 0.132 1 1 199 . 15 1 1 A 24 24 ASP CB C 24 43.632 42.725 0.907 1 1 202 . 15 1 1 A 24 24 ASP C C 24 175.092 176.199 -1.107 1 1 203 . 15 1 1 A 25 25 ARG N N 25 124.562 125.835 -1.273 1 1 204 . 15 1 1 A 25 25 ARG H H 25 8.384 8.496 -0.112 1 1 205 . 15 1 1 A 25 25 ARG CA C 25 59.227 59.411 -0.184 1 1 206 . 15 1 1 A 25 25 ARG HA H 25 3.139 2.869 0.270 1 1 207 . 15 1 1 A 25 25 ARG CB C 25 29.797 29.800 -0.003 1 1 216 . 15 1 1 A 25 25 ARG C C 25 177.768 177.716 0.052 1 1 217 . 15 1 1 A 26 26 SER N N 26 114.310 113.980 0.330 1 1 218 . 15 1 1 A 26 26 SER H H 26 8.404 7.819 0.585 1 1 219 . 15 1 1 A 26 26 SER CA C 26 61.865 61.533 0.332 1 1 220 . 15 1 1 A 26 26 SER HA H 26 3.981 3.984 -0.003 1 1 221 . 15 1 1 A 26 26 SER CB C 26 62.116 62.954 -0.838 1 1 224 . 15 1 1 A 26 26 SER C C 26 177.339 177.024 0.315 1 1 225 . 15 1 1 A 27 27 ASN N N 27 120.170 120.329 -0.159 1 1 226 . 15 1 1 A 27 27 ASN H H 27 8.024 8.067 -0.043 1 1 227 . 15 1 1 A 27 27 ASN CA C 27 55.713 56.409 -0.696 1 1 228 . 15 1 1 A 27 27 ASN HA H 27 4.426 4.430 -0.004 1 1 229 . 15 1 1 A 27 27 ASN CB C 27 38.343 38.316 0.027 1 1 235 . 15 1 1 A 27 27 ASN C C 27 177.564 177.557 0.007 1 1 236 . 15 1 1 A 28 28 LEU N N 28 123.285 118.636 4.649 1 1 237 . 15 1 1 A 28 28 LEU H H 28 7.047 7.752 -0.705 1 1 238 . 15 1 1 A 28 28 LEU CA C 28 58.259 57.358 0.901 1 1 239 . 15 1 1 A 28 28 LEU HA H 28 3.147 3.236 -0.089 1 1 240 . 15 1 1 A 28 28 LEU CB C 28 40.313 41.687 -1.374 1 1 253 . 15 1 1 A 28 28 LEU C C 28 177.394 178.712 -1.318 1 1 254 . 15 1 1 A 29 29 ILE N N 29 119.714 119.507 0.207 1 1 255 . 15 1 1 A 29 29 ILE H H 29 8.148 7.713 0.435 1 1 256 . 15 1 1 A 29 29 ILE CA C 29 64.564 64.174 0.390 1 1 257 . 15 1 1 A 29 29 ILE HA H 29 3.692 3.626 0.066 1 1 258 . 15 1 1 A 29 29 ILE CB C 29 37.503 37.437 0.066 1 1 271 . 15 1 1 A 29 29 ILE C C 29 179.034 178.517 0.517 1 1 272 . 15 1 1 A 30 30 LYS N N 30 118.869 120.791 -1.922 1 1 273 . 15 1 1 A 30 30 LYS H H 30 7.539 8.676 -1.137 1 1 274 . 15 1 1 A 30 30 LYS CA C 30 59.707 58.265 1.442 1 1 275 . 15 1 1 A 30 30 LYS HA H 30 3.917 4.088 -0.171 1 1 276 . 15 1 1 A 30 30 LYS CB C 30 32.807 31.145 1.662 1 1 288 . 15 1 1 A 30 30 LYS C C 30 179.031 178.362 0.669 1 1 289 . 15 1 1 A 31 31 HIS N N 31 118.737 119.518 -0.781 1 1 290 . 15 1 1 A 31 31 HIS H H 31 7.554 7.982 -0.428 1 1 291 . 15 1 1 A 31 31 HIS CA C 31 59.020 59.332 -0.312 1 1 292 . 15 1 1 A 31 31 HIS HA H 31 4.175 4.137 0.038 1 1 293 . 15 1 1 A 31 31 HIS CB C 31 28.480 29.795 -1.315 1 1 300 . 15 1 1 A 31 31 HIS C C 31 176.197 177.169 -0.972 1 1 301 . 15 1 1 A 32 32 GLN N N 32 115.420 117.677 -2.257 1 1 302 . 15 1 1 A 32 32 GLN H H 32 8.379 8.039 0.340 1 1 303 . 15 1 1 A 32 32 GLN CA C 32 59.377 59.087 0.290 1 1 304 . 15 1 1 A 32 32 GLN HA H 32 3.642 3.875 -0.233 1 1 305 . 15 1 1 A 32 32 GLN CB C 32 28.253 28.413 -0.160 1 1 314 . 15 1 1 A 32 32 GLN C C 32 177.510 178.543 -1.033 1 1 315 . 15 1 1 A 33 33 LYS N N 33 117.483 119.863 -2.380 1 1 316 . 15 1 1 A 33 33 LYS H H 33 7.088 7.858 -0.770 1 1 317 . 15 1 1 A 33 33 LYS CA C 33 58.393 58.936 -0.543 1 1 318 . 15 1 1 A 33 33 LYS HA H 33 4.094 4.219 -0.125 1 1 319 . 15 1 1 A 33 33 LYS CB C 33 32.312 32.627 -0.315 1 1 331 . 15 1 1 A 33 33 LYS C C 33 178.685 179.302 -0.617 1 1 332 . 15 1 1 A 34 34 ILE N N 34 116.168 117.158 -0.990 1 1 333 . 15 1 1 A 34 34 ILE H H 34 7.815 7.867 -0.052 1 1 334 . 15 1 1 A 34 34 ILE CA C 34 63.019 63.652 -0.633 1 1 335 . 15 1 1 A 34 34 ILE HA H 34 3.979 3.695 0.284 1 1 336 . 15 1 1 A 34 34 ILE CB C 34 37.697 37.119 0.578 1 1 349 . 15 1 1 A 34 34 ILE C C 34 177.346 176.757 0.589 1 1 350 . 15 1 1 A 35 35 HIS N N 35 117.330 119.038 -1.708 1 1 351 . 15 1 1 A 35 35 HIS H H 35 7.193 7.553 -0.360 1 1 352 . 15 1 1 A 35 35 HIS CA C 35 54.932 57.515 -2.583 1 1 353 . 15 1 1 A 35 35 HIS HA H 35 4.916 4.448 0.468 1 1 354 . 15 1 1 A 35 35 HIS CB C 35 28.387 30.754 -2.367 1 1 361 . 15 1 1 A 35 35 HIS C C 35 175.585 175.174 0.411 1 1 362 . 15 1 1 A 36 36 THR N N 36 112.446 111.427 1.019 1 1 363 . 15 1 1 A 36 36 THR H H 36 7.752 7.562 0.190 1 1 364 . 15 1 1 A 36 36 THR CA C 36 62.671 61.897 0.774 1 1 365 . 15 1 1 A 36 36 THR HA H 36 4.329 4.281 0.048 1 1 366 . 15 1 1 A 36 36 THR CB C 36 69.763 68.945 0.818 1 1 372 . 15 1 1 A 36 36 THR C C 36 175.346 174.945 0.401 1 1 373 . 15 1 1 A 37 37 GLY N N 37 110.884 112.544 -1.660 1 1 374 . 15 1 1 A 37 37 GLY H H 37 8.312 9.023 -0.711 1 1 375 . 15 1 1 A 37 37 GLY CA C 37 45.315 46.997 -1.682 1 1 376 . 15 1 1 A 37 37 GLY HA2 H 37 3.987 3.881 0.106 1 1 377 . 15 1 1 A 37 37 GLY HA3 H 37 3.987 3.887 0.100 1 1 378 . 15 1 1 A 37 37 GLY C C 37 174.024 174.434 -0.410 1 1 379 . 15 1 1 A 38 38 GLU N N 38 120.586 120.173 0.413 1 1 380 . 15 1 1 A 38 38 GLU H H 38 8.084 8.067 0.017 1 1 381 . 15 1 1 A 38 38 GLU CA C 38 56.427 55.285 1.142 1 1 382 . 15 1 1 A 38 38 GLU HA H 38 4.248 4.445 -0.197 1 1 383 . 15 1 1 A 38 38 GLU CB C 38 30.573 29.506 1.067 1 1 389 . 15 1 1 A 38 38 GLU C C 38 176.226 175.569 0.657 1 1 390 . 15 1 1 A 39 39 LYS N N 39 123.823 129.264 -5.441 1 1 391 . 15 1 1 A 39 39 LYS H H 39 8.425 8.554 -0.129 1 1 392 . 15 1 1 A 39 39 LYS CA C 39 54.118 54.665 -0.547 1 1 393 . 15 1 1 A 39 39 LYS HA H 39 4.604 4.176 0.428 1 1 394 . 15 1 1 A 39 39 LYS CB C 39 32.536 33.131 -0.595 1 1 406 . 15 1 1 A 39 39 LYS C C 39 174.461 175.312 -0.851 1 1 407 . 15 1 1 A 40 40 PRO CA C 40 63.231 62.698 0.533 1 1 408 . 15 1 1 A 40 40 PRO HA H 40 4.460 4.606 -0.146 1 1 409 . 15 1 1 A 40 40 PRO CB C 40 32.200 31.704 0.496 1 1 418 . 15 1 1 A 40 40 PRO C C 40 176.951 177.116 -0.165 1 1 419 . 15 1 1 A 41 41 SER N N 41 116.497 117.714 -1.217 1 1 420 . 15 1 1 A 41 41 SER H H 41 8.475 8.833 -0.358 1 1 421 . 15 1 1 A 41 41 SER CA C 41 58.375 61.709 -3.334 1 1 422 . 15 1 1 A 41 41 SER HA H 41 4.491 4.372 0.119 1 1 423 . 15 1 1 A 41 41 SER CB C 41 63.953 63.651 0.302 1 1 425 . 15 1 1 A 41 41 SER C C 41 174.588 175.645 -1.057 1 1 426 . 15 1 1 A 42 42 GLY CA C 42 44.665 45.685 -1.020 1 1 427 . 15 1 1 A 42 42 GLY HA2 H 42 4.111 4.292 -0.181 1 1 428 . 15 1 1 A 42 42 GLY HA3 H 42 4.153 4.293 -0.140 1 1 429 . 15 1 1 A 43 43 PRO CA C 43 63.238 63.580 -0.342 1 1 430 . 15 1 1 A 43 43 PRO HA H 43 4.467 4.568 -0.101 1 1 431 . 15 1 1 A 43 43 PRO CB C 43 32.174 31.974 0.200 1 1 440 . 15 1 1 A 45 45 SER CA C 45 58.360 56.780 1.580 1 1 441 . 15 1 1 A 45 45 SER HA H 45 4.482 4.903 -0.421 1 1 442 . 15 1 1 A 45 45 SER CB C 45 64.038 65.292 -1.254 1 1 445 . 15 1 1 A 45 45 SER C C 45 173.890 175.550 -1.660 1 1 1 . 16 1 1 A 7 7 GLY CA C 7 45.428 46.128 -0.700 1 1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.031 4.224 -0.193 1 1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.031 4.225 -0.194 1 1 4 . 16 1 1 A 7 7 GLY C C 7 174.504 173.561 0.943 1 1 5 . 16 1 1 A 8 8 THR N N 8 112.847 118.874 -6.027 1 1 6 . 16 1 1 A 8 8 THR H H 8 8.154 8.508 -0.354 1 1 7 . 16 1 1 A 8 8 THR CA C 8 61.882 63.176 -1.294 1 1 8 . 16 1 1 A 8 8 THR HA H 8 4.361 4.569 -0.208 1 1 9 . 16 1 1 A 8 8 THR CB C 8 69.841 71.725 -1.884 1 1 15 . 16 1 1 A 8 8 THR C C 8 175.257 174.902 0.355 1 1 16 . 16 1 1 A 9 9 GLY N N 9 110.940 108.757 2.183 1 1 17 . 16 1 1 A 9 9 GLY H H 9 8.452 7.646 0.806 1 1 18 . 16 1 1 A 9 9 GLY CA C 9 45.278 44.885 0.393 1 1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.920 4.083 -0.163 1 1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.920 4.085 -0.165 1 1 21 . 16 1 1 A 9 9 GLY C C 9 174.062 174.793 -0.731 1 1 22 . 16 1 1 A 10 10 GLU N N 10 120.294 121.410 -1.116 1 1 23 . 16 1 1 A 10 10 GLU H H 10 8.237 8.804 -0.567 1 1 24 . 16 1 1 A 10 10 GLU CA C 10 56.821 57.247 -0.426 1 1 25 . 16 1 1 A 10 10 GLU HA H 10 4.205 4.370 -0.165 1 1 26 . 16 1 1 A 10 10 GLU CB C 10 30.426 30.637 -0.211 1 1 32 . 16 1 1 A 10 10 GLU C C 10 176.322 176.369 -0.047 1 1 33 . 16 1 1 A 11 11 ARG N N 11 121.374 118.544 2.830 1 1 34 . 16 1 1 A 11 11 ARG H H 11 8.295 7.688 0.607 1 1 35 . 16 1 1 A 11 11 ARG CA C 11 53.547 52.574 0.973 1 1 36 . 16 1 1 A 11 11 ARG HA H 11 4.539 4.810 -0.271 1 1 37 . 16 1 1 A 11 11 ARG CB C 11 30.672 31.848 -1.176 1 1 45 . 16 1 1 A 11 11 ARG C C 11 173.550 175.681 -2.131 1 1 46 . 16 1 1 A 12 12 PRO CA C 12 63.252 64.774 -1.522 1 1 47 . 16 1 1 A 12 12 PRO HA H 12 4.335 4.313 0.022 1 1 48 . 16 1 1 A 12 12 PRO CB C 12 32.315 31.767 0.548 1 1 57 . 16 1 1 A 12 12 PRO C C 12 176.312 175.847 0.465 1 1 58 . 16 1 1 A 13 13 TYR N N 13 119.535 118.456 1.079 1 1 59 . 16 1 1 A 13 13 TYR H H 13 8.022 7.251 0.771 1 1 60 . 16 1 1 A 13 13 TYR CA C 13 57.666 58.214 -0.548 1 1 61 . 16 1 1 A 13 13 TYR HA H 13 4.597 4.800 -0.203 1 1 62 . 16 1 1 A 13 13 TYR CB C 13 38.476 40.140 -1.664 1 1 73 . 16 1 1 A 13 13 TYR C C 13 174.475 176.173 -1.698 1 1 74 . 16 1 1 A 14 14 ILE N N 14 124.578 121.829 2.749 1 1 75 . 16 1 1 A 14 14 ILE H H 14 8.338 8.726 -0.388 1 1 76 . 16 1 1 A 14 14 ILE CA C 14 59.714 60.595 -0.881 1 1 77 . 16 1 1 A 14 14 ILE HA H 14 4.675 4.933 -0.258 1 1 78 . 16 1 1 A 14 14 ILE CB C 14 40.638 41.423 -0.785 1 1 91 . 16 1 1 A 14 14 ILE C C 14 175.750 175.265 0.485 1 1 92 . 16 1 1 A 15 15 CYS N N 15 128.935 127.388 1.547 1 1 93 . 16 1 1 A 15 15 CYS H H 15 9.278 9.426 -0.148 1 1 94 . 16 1 1 A 15 15 CYS CA C 15 59.752 60.088 -0.336 1 1 95 . 16 1 1 A 15 15 CYS HA H 15 4.624 4.550 0.074 1 1 96 . 16 1 1 A 15 15 CYS CB C 15 29.428 29.091 0.337 1 1 99 . 16 1 1 A 15 15 CYS C C 15 177.330 176.336 0.994 1 1 100 . 16 1 1 A 16 16 THR N N 16 124.216 122.912 1.304 1 1 101 . 16 1 1 A 16 16 THR H H 16 8.902 9.090 -0.188 1 1 102 . 16 1 1 A 16 16 THR CA C 16 64.298 62.005 2.293 1 1 103 . 16 1 1 A 16 16 THR HA H 16 4.130 4.495 -0.365 1 1 104 . 16 1 1 A 16 16 THR CB C 16 68.664 68.301 0.363 1 1 110 . 16 1 1 A 16 16 THR C C 16 174.750 175.413 -0.663 1 1 111 . 16 1 1 A 17 17 VAL N N 17 123.592 120.721 2.871 1 1 112 . 16 1 1 A 17 17 VAL H H 17 8.618 7.981 0.637 1 1 113 . 16 1 1 A 17 17 VAL CA C 17 65.222 63.567 1.655 1 1 114 . 16 1 1 A 17 17 VAL HA H 17 3.795 4.141 -0.346 1 1 115 . 16 1 1 A 17 17 VAL CB C 17 32.714 33.927 -1.213 1 1 125 . 16 1 1 A 17 17 VAL C C 17 177.090 177.154 -0.064 1 1 126 . 16 1 1 A 18 18 CYS N N 18 115.099 115.319 -0.220 1 1 127 . 16 1 1 A 18 18 CYS H H 18 7.957 8.003 -0.046 1 1 128 . 16 1 1 A 18 18 CYS CA C 18 58.176 59.337 -1.161 1 1 129 . 16 1 1 A 18 18 CYS HA H 18 5.159 4.606 0.553 1 1 130 . 16 1 1 A 18 18 CYS CB C 18 32.806 30.170 2.636 1 1 133 . 16 1 1 A 18 18 CYS C C 18 176.462 175.334 1.128 1 1 134 . 16 1 1 A 19 19 GLY N N 19 113.815 110.200 3.615 1 1 135 . 16 1 1 A 19 19 GLY H H 19 8.183 7.603 0.580 1 1 136 . 16 1 1 A 19 19 GLY CA C 19 46.160 45.241 0.919 1 1 137 . 16 1 1 A 19 19 GLY HA2 H 19 4.209 4.063 0.146 1 1 138 . 16 1 1 A 19 19 GLY HA3 H 19 3.748 4.071 -0.323 1 1 139 . 16 1 1 A 19 19 GLY C C 19 173.546 174.384 -0.838 1 1 140 . 16 1 1 A 20 20 LYS N N 20 123.111 121.080 2.031 1 1 141 . 16 1 1 A 20 20 LYS H H 20 7.986 7.783 0.203 1 1 142 . 16 1 1 A 20 20 LYS CA C 20 58.320 54.961 3.359 1 1 143 . 16 1 1 A 20 20 LYS HA H 20 3.936 4.623 -0.687 1 1 144 . 16 1 1 A 20 20 LYS CB C 20 33.685 34.692 -1.007 1 1 156 . 16 1 1 A 20 20 LYS C C 20 173.419 175.049 -1.630 1 1 157 . 16 1 1 A 21 21 ALA N N 21 124.165 126.806 -2.641 1 1 158 . 16 1 1 A 21 21 ALA H H 21 7.779 8.483 -0.704 1 1 159 . 16 1 1 A 21 21 ALA CA C 21 50.486 49.828 0.658 1 1 160 . 16 1 1 A 21 21 ALA HA H 21 5.105 5.621 -0.516 1 1 161 . 16 1 1 A 21 21 ALA CB C 21 22.458 22.869 -0.411 1 1 165 . 16 1 1 A 21 21 ALA C C 21 176.756 175.686 1.070 1 1 166 . 16 1 1 A 22 22 PHE N N 22 118.244 117.922 0.322 1 1 167 . 16 1 1 A 22 22 PHE H H 22 8.986 8.937 0.049 1 1 168 . 16 1 1 A 22 22 PHE CA C 22 57.418 56.844 0.574 1 1 169 . 16 1 1 A 22 22 PHE HA H 22 4.717 4.859 -0.142 1 1 170 . 16 1 1 A 22 22 PHE CB C 22 43.231 42.582 0.649 1 1 183 . 16 1 1 A 22 22 PHE C C 22 175.604 175.873 -0.269 1 1 184 . 16 1 1 A 23 23 THR N N 23 112.986 118.510 -5.524 1 1 185 . 16 1 1 A 23 23 THR H H 23 8.941 8.494 0.447 1 1 186 . 16 1 1 A 23 23 THR CA C 23 63.847 65.273 -1.426 1 1 187 . 16 1 1 A 23 23 THR HA H 23 4.470 4.302 0.168 1 1 188 . 16 1 1 A 23 23 THR CB C 23 69.556 69.695 -0.139 1 1 194 . 16 1 1 A 23 23 THR C C 23 174.032 173.543 0.489 1 1 195 . 16 1 1 A 24 24 ASP N N 24 118.330 120.522 -2.192 1 1 196 . 16 1 1 A 24 24 ASP H H 24 7.637 8.001 -0.364 1 1 197 . 16 1 1 A 24 24 ASP CA C 24 52.811 53.240 -0.429 1 1 198 . 16 1 1 A 24 24 ASP HA H 24 4.808 4.846 -0.038 1 1 199 . 16 1 1 A 24 24 ASP CB C 24 43.632 42.718 0.914 1 1 202 . 16 1 1 A 24 24 ASP C C 24 175.092 175.833 -0.741 1 1 203 . 16 1 1 A 25 25 ARG N N 25 124.562 125.817 -1.255 1 1 204 . 16 1 1 A 25 25 ARG H H 25 8.384 8.586 -0.202 1 1 205 . 16 1 1 A 25 25 ARG CA C 25 59.227 58.711 0.516 1 1 206 . 16 1 1 A 25 25 ARG HA H 25 3.139 3.061 0.078 1 1 207 . 16 1 1 A 25 25 ARG CB C 25 29.797 29.429 0.368 1 1 216 . 16 1 1 A 25 25 ARG C C 25 177.768 177.723 0.045 1 1 217 . 16 1 1 A 26 26 SER N N 26 114.310 116.698 -2.388 1 1 218 . 16 1 1 A 26 26 SER H H 26 8.404 7.998 0.406 1 1 219 . 16 1 1 A 26 26 SER CA C 26 61.865 62.043 -0.178 1 1 220 . 16 1 1 A 26 26 SER HA H 26 3.981 4.029 -0.048 1 1 221 . 16 1 1 A 26 26 SER CB C 26 62.116 62.826 -0.710 1 1 224 . 16 1 1 A 26 26 SER C C 26 177.339 176.881 0.458 1 1 225 . 16 1 1 A 27 27 ASN N N 27 120.170 120.611 -0.441 1 1 226 . 16 1 1 A 27 27 ASN H H 27 8.024 8.121 -0.097 1 1 227 . 16 1 1 A 27 27 ASN CA C 27 55.713 56.059 -0.346 1 1 228 . 16 1 1 A 27 27 ASN HA H 27 4.426 4.425 0.001 1 1 229 . 16 1 1 A 27 27 ASN CB C 27 38.343 37.867 0.476 1 1 235 . 16 1 1 A 27 27 ASN C C 27 177.564 177.656 -0.092 1 1 236 . 16 1 1 A 28 28 LEU N N 28 123.285 119.882 3.403 1 1 237 . 16 1 1 A 28 28 LEU H H 28 7.047 7.495 -0.448 1 1 238 . 16 1 1 A 28 28 LEU CA C 28 58.259 56.661 1.598 1 1 239 . 16 1 1 A 28 28 LEU HA H 28 3.147 3.113 0.034 1 1 240 . 16 1 1 A 28 28 LEU CB C 28 40.313 42.184 -1.871 1 1 253 . 16 1 1 A 28 28 LEU C C 28 177.394 178.744 -1.350 1 1 254 . 16 1 1 A 29 29 ILE N N 29 119.714 119.094 0.620 1 1 255 . 16 1 1 A 29 29 ILE H H 29 8.148 7.911 0.237 1 1 256 . 16 1 1 A 29 29 ILE CA C 29 64.564 64.121 0.443 1 1 257 . 16 1 1 A 29 29 ILE HA H 29 3.692 3.637 0.055 1 1 258 . 16 1 1 A 29 29 ILE CB C 29 37.503 36.526 0.977 1 1 271 . 16 1 1 A 29 29 ILE C C 29 179.034 178.408 0.626 1 1 272 . 16 1 1 A 30 30 LYS N N 30 118.869 120.781 -1.912 1 1 273 . 16 1 1 A 30 30 LYS H H 30 7.539 8.290 -0.751 1 1 274 . 16 1 1 A 30 30 LYS CA C 30 59.707 58.854 0.853 1 1 275 . 16 1 1 A 30 30 LYS HA H 30 3.917 4.012 -0.095 1 1 276 . 16 1 1 A 30 30 LYS CB C 30 32.807 31.781 1.026 1 1 288 . 16 1 1 A 30 30 LYS C C 30 179.031 178.563 0.468 1 1 289 . 16 1 1 A 31 31 HIS N N 31 118.737 119.504 -0.767 1 1 290 . 16 1 1 A 31 31 HIS H H 31 7.554 7.595 -0.041 1 1 291 . 16 1 1 A 31 31 HIS CA C 31 59.020 59.325 -0.305 1 1 292 . 16 1 1 A 31 31 HIS HA H 31 4.175 4.176 -0.001 1 1 293 . 16 1 1 A 31 31 HIS CB C 31 28.480 29.675 -1.195 1 1 300 . 16 1 1 A 31 31 HIS C C 31 176.197 177.491 -1.294 1 1 301 . 16 1 1 A 32 32 GLN N N 32 115.420 117.843 -2.423 1 1 302 . 16 1 1 A 32 32 GLN H H 32 8.379 8.018 0.361 1 1 303 . 16 1 1 A 32 32 GLN CA C 32 59.377 58.746 0.631 1 1 304 . 16 1 1 A 32 32 GLN HA H 32 3.642 3.796 -0.154 1 1 305 . 16 1 1 A 32 32 GLN CB C 32 28.253 28.320 -0.067 1 1 314 . 16 1 1 A 32 32 GLN C C 32 177.510 178.645 -1.135 1 1 315 . 16 1 1 A 33 33 LYS N N 33 117.483 119.564 -2.081 1 1 316 . 16 1 1 A 33 33 LYS H H 33 7.088 7.975 -0.887 1 1 317 . 16 1 1 A 33 33 LYS CA C 33 58.393 58.700 -0.307 1 1 318 . 16 1 1 A 33 33 LYS HA H 33 4.094 4.301 -0.207 1 1 319 . 16 1 1 A 33 33 LYS CB C 33 32.312 32.516 -0.204 1 1 331 . 16 1 1 A 33 33 LYS C C 33 178.685 179.170 -0.485 1 1 332 . 16 1 1 A 34 34 ILE N N 34 116.168 117.092 -0.924 1 1 333 . 16 1 1 A 34 34 ILE H H 34 7.815 7.430 0.385 1 1 334 . 16 1 1 A 34 34 ILE CA C 34 63.019 64.230 -1.211 1 1 335 . 16 1 1 A 34 34 ILE HA H 34 3.979 3.694 0.285 1 1 336 . 16 1 1 A 34 34 ILE CB C 34 37.697 37.043 0.654 1 1 349 . 16 1 1 A 34 34 ILE C C 34 177.346 177.414 -0.068 1 1 350 . 16 1 1 A 35 35 HIS N N 35 117.330 119.579 -2.249 1 1 351 . 16 1 1 A 35 35 HIS H H 35 7.193 7.744 -0.551 1 1 352 . 16 1 1 A 35 35 HIS CA C 35 54.932 58.052 -3.120 1 1 353 . 16 1 1 A 35 35 HIS HA H 35 4.916 4.429 0.487 1 1 354 . 16 1 1 A 35 35 HIS CB C 35 28.387 31.037 -2.650 1 1 361 . 16 1 1 A 35 35 HIS C C 35 175.585 175.315 0.270 1 1 362 . 16 1 1 A 36 36 THR N N 36 112.446 111.751 0.695 1 1 363 . 16 1 1 A 36 36 THR H H 36 7.752 7.465 0.287 1 1 364 . 16 1 1 A 36 36 THR CA C 36 62.671 63.054 -0.383 1 1 365 . 16 1 1 A 36 36 THR HA H 36 4.329 4.252 0.077 1 1 366 . 16 1 1 A 36 36 THR CB C 36 69.763 68.485 1.278 1 1 372 . 16 1 1 A 36 36 THR C C 36 175.346 174.519 0.827 1 1 373 . 16 1 1 A 37 37 GLY N N 37 110.884 109.992 0.892 1 1 374 . 16 1 1 A 37 37 GLY H H 37 8.312 8.485 -0.173 1 1 375 . 16 1 1 A 37 37 GLY CA C 37 45.315 44.673 0.642 1 1 376 . 16 1 1 A 37 37 GLY HA2 H 37 3.987 4.146 -0.159 1 1 377 . 16 1 1 A 37 37 GLY HA3 H 37 3.987 4.148 -0.161 1 1 378 . 16 1 1 A 37 37 GLY C C 37 174.024 172.001 2.023 1 1 379 . 16 1 1 A 38 38 GLU N N 38 120.586 120.583 0.003 1 1 380 . 16 1 1 A 38 38 GLU H H 38 8.084 8.428 -0.344 1 1 381 . 16 1 1 A 38 38 GLU CA C 38 56.427 55.016 1.411 1 1 382 . 16 1 1 A 38 38 GLU HA H 38 4.248 5.058 -0.810 1 1 383 . 16 1 1 A 38 38 GLU CB C 38 30.573 32.594 -2.021 1 1 389 . 16 1 1 A 38 38 GLU C C 38 176.226 175.403 0.823 1 1 390 . 16 1 1 A 39 39 LYS N N 39 123.823 124.265 -0.442 1 1 391 . 16 1 1 A 39 39 LYS H H 39 8.425 8.863 -0.438 1 1 392 . 16 1 1 A 39 39 LYS CA C 39 54.118 52.882 1.236 1 1 393 . 16 1 1 A 39 39 LYS HA H 39 4.604 4.759 -0.155 1 1 394 . 16 1 1 A 39 39 LYS CB C 39 32.536 32.854 -0.318 1 1 406 . 16 1 1 A 39 39 LYS C C 39 174.461 174.564 -0.103 1 1 407 . 16 1 1 A 40 40 PRO CA C 40 63.231 62.709 0.522 1 1 408 . 16 1 1 A 40 40 PRO HA H 40 4.460 4.740 -0.280 1 1 409 . 16 1 1 A 40 40 PRO CB C 40 32.200 30.992 1.208 1 1 418 . 16 1 1 A 40 40 PRO C C 40 176.951 175.172 1.779 1 1 419 . 16 1 1 A 41 41 SER N N 41 116.497 118.902 -2.405 1 1 420 . 16 1 1 A 41 41 SER H H 41 8.475 8.231 0.244 1 1 421 . 16 1 1 A 41 41 SER CA C 41 58.375 57.642 0.733 1 1 422 . 16 1 1 A 41 41 SER HA H 41 4.491 4.998 -0.507 1 1 423 . 16 1 1 A 41 41 SER CB C 41 63.953 65.254 -1.301 1 1 425 . 16 1 1 A 41 41 SER C C 41 174.588 173.077 1.511 1 1 426 . 16 1 1 A 42 42 GLY CA C 42 44.665 46.124 -1.459 1 1 427 . 16 1 1 A 42 42 GLY HA2 H 42 4.111 4.230 -0.119 1 1 428 . 16 1 1 A 42 42 GLY HA3 H 42 4.153 4.230 -0.077 1 1 429 . 16 1 1 A 43 43 PRO CA C 43 63.238 62.626 0.612 1 1 430 . 16 1 1 A 43 43 PRO HA H 43 4.467 4.558 -0.091 1 1 431 . 16 1 1 A 43 43 PRO CB C 43 32.174 32.313 -0.139 1 1 440 . 16 1 1 A 45 45 SER CA C 45 58.360 57.329 1.031 1 1 441 . 16 1 1 A 45 45 SER HA H 45 4.482 4.797 -0.315 1 1 442 . 16 1 1 A 45 45 SER CB C 45 64.038 65.575 -1.537 1 1 445 . 16 1 1 A 45 45 SER C C 45 173.890 174.448 -0.558 1 1 1 . 17 1 1 A 7 7 GLY CA C 7 45.428 47.367 -1.939 1 1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.031 3.783 0.248 1 1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.031 3.784 0.247 1 1 4 . 17 1 1 A 7 7 GLY C C 7 174.504 175.358 -0.854 1 1 5 . 17 1 1 A 8 8 THR N N 8 112.847 113.373 -0.526 1 1 6 . 17 1 1 A 8 8 THR H H 8 8.154 7.840 0.314 1 1 7 . 17 1 1 A 8 8 THR CA C 8 61.882 63.948 -2.066 1 1 8 . 17 1 1 A 8 8 THR HA H 8 4.361 4.252 0.109 1 1 9 . 17 1 1 A 8 8 THR CB C 8 69.841 68.097 1.744 1 1 15 . 17 1 1 A 8 8 THR C C 8 175.257 174.753 0.504 1 1 16 . 17 1 1 A 9 9 GLY N N 9 110.940 112.877 -1.937 1 1 17 . 17 1 1 A 9 9 GLY H H 9 8.452 8.435 0.017 1 1 18 . 17 1 1 A 9 9 GLY CA C 9 45.278 45.585 -0.307 1 1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.920 4.143 -0.223 1 1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.920 4.145 -0.225 1 1 21 . 17 1 1 A 9 9 GLY C C 9 174.062 172.331 1.731 1 1 22 . 17 1 1 A 10 10 GLU N N 10 120.294 117.928 2.366 1 1 23 . 17 1 1 A 10 10 GLU H H 10 8.237 8.935 -0.698 1 1 24 . 17 1 1 A 10 10 GLU CA C 10 56.821 54.416 2.405 1 1 25 . 17 1 1 A 10 10 GLU HA H 10 4.205 5.213 -1.008 1 1 26 . 17 1 1 A 10 10 GLU CB C 10 30.426 33.467 -3.041 1 1 32 . 17 1 1 A 10 10 GLU C C 10 176.322 174.655 1.667 1 1 33 . 17 1 1 A 11 11 ARG N N 11 121.374 120.130 1.244 1 1 34 . 17 1 1 A 11 11 ARG H H 11 8.295 8.414 -0.119 1 1 35 . 17 1 1 A 11 11 ARG CA C 11 53.547 52.855 0.692 1 1 36 . 17 1 1 A 11 11 ARG HA H 11 4.539 4.875 -0.336 1 1 37 . 17 1 1 A 11 11 ARG CB C 11 30.672 33.177 -2.505 1 1 45 . 17 1 1 A 11 11 ARG C C 11 173.550 175.887 -2.337 1 1 46 . 17 1 1 A 12 12 PRO CA C 12 63.252 64.838 -1.586 1 1 47 . 17 1 1 A 12 12 PRO HA H 12 4.335 4.261 0.074 1 1 48 . 17 1 1 A 12 12 PRO CB C 12 32.315 31.517 0.798 1 1 57 . 17 1 1 A 12 12 PRO C C 12 176.312 175.889 0.423 1 1 58 . 17 1 1 A 13 13 TYR N N 13 119.535 118.216 1.319 1 1 59 . 17 1 1 A 13 13 TYR H H 13 8.022 7.255 0.767 1 1 60 . 17 1 1 A 13 13 TYR CA C 13 57.666 58.005 -0.339 1 1 61 . 17 1 1 A 13 13 TYR HA H 13 4.597 4.875 -0.278 1 1 62 . 17 1 1 A 13 13 TYR CB C 13 38.476 40.166 -1.690 1 1 73 . 17 1 1 A 13 13 TYR C C 13 174.475 175.936 -1.461 1 1 74 . 17 1 1 A 14 14 ILE N N 14 124.578 121.496 3.082 1 1 75 . 17 1 1 A 14 14 ILE H H 14 8.338 8.743 -0.405 1 1 76 . 17 1 1 A 14 14 ILE CA C 14 59.714 60.712 -0.998 1 1 77 . 17 1 1 A 14 14 ILE HA H 14 4.675 4.976 -0.301 1 1 78 . 17 1 1 A 14 14 ILE CB C 14 40.638 41.490 -0.852 1 1 91 . 17 1 1 A 14 14 ILE C C 14 175.750 175.075 0.675 1 1 92 . 17 1 1 A 15 15 CYS N N 15 128.935 127.177 1.758 1 1 93 . 17 1 1 A 15 15 CYS H H 15 9.278 9.260 0.018 1 1 94 . 17 1 1 A 15 15 CYS CA C 15 59.752 60.192 -0.440 1 1 95 . 17 1 1 A 15 15 CYS HA H 15 4.624 4.498 0.126 1 1 96 . 17 1 1 A 15 15 CYS CB C 15 29.428 28.499 0.929 1 1 99 . 17 1 1 A 15 15 CYS C C 15 177.330 176.063 1.267 1 1 100 . 17 1 1 A 16 16 THR N N 16 124.216 119.150 5.066 1 1 101 . 17 1 1 A 16 16 THR H H 16 8.902 8.629 0.273 1 1 102 . 17 1 1 A 16 16 THR CA C 16 64.298 63.306 0.992 1 1 103 . 17 1 1 A 16 16 THR HA H 16 4.130 4.300 -0.170 1 1 104 . 17 1 1 A 16 16 THR CB C 16 68.664 69.594 -0.930 1 1 110 . 17 1 1 A 16 16 THR C C 16 174.750 176.192 -1.442 1 1 111 . 17 1 1 A 17 17 VAL N N 17 123.592 122.340 1.252 1 1 112 . 17 1 1 A 17 17 VAL H H 17 8.618 7.752 0.866 1 1 113 . 17 1 1 A 17 17 VAL CA C 17 65.222 66.602 -1.380 1 1 114 . 17 1 1 A 17 17 VAL HA H 17 3.795 3.392 0.403 1 1 115 . 17 1 1 A 17 17 VAL CB C 17 32.714 31.051 1.663 1 1 125 . 17 1 1 A 17 17 VAL C C 17 177.090 177.520 -0.430 1 1 126 . 17 1 1 A 18 18 CYS N N 18 115.099 114.770 0.329 1 1 127 . 17 1 1 A 18 18 CYS H H 18 7.957 7.279 0.678 1 1 128 . 17 1 1 A 18 18 CYS CA C 18 58.176 59.626 -1.450 1 1 129 . 17 1 1 A 18 18 CYS HA H 18 5.159 4.593 0.566 1 1 130 . 17 1 1 A 18 18 CYS CB C 18 32.806 29.766 3.040 1 1 133 . 17 1 1 A 18 18 CYS C C 18 176.462 175.328 1.134 1 1 134 . 17 1 1 A 19 19 GLY N N 19 113.815 110.304 3.511 1 1 135 . 17 1 1 A 19 19 GLY H H 19 8.183 8.127 0.056 1 1 136 . 17 1 1 A 19 19 GLY CA C 19 46.160 45.313 0.847 1 1 137 . 17 1 1 A 19 19 GLY HA2 H 19 4.209 4.059 0.150 1 1 138 . 17 1 1 A 19 19 GLY HA3 H 19 3.748 4.071 -0.323 1 1 139 . 17 1 1 A 19 19 GLY C C 19 173.546 174.423 -0.877 1 1 140 . 17 1 1 A 20 20 LYS N N 20 123.111 121.852 1.259 1 1 141 . 17 1 1 A 20 20 LYS H H 20 7.986 7.977 0.009 1 1 142 . 17 1 1 A 20 20 LYS CA C 20 58.320 55.713 2.607 1 1 143 . 17 1 1 A 20 20 LYS HA H 20 3.936 4.398 -0.462 1 1 144 . 17 1 1 A 20 20 LYS CB C 20 33.685 33.639 0.046 1 1 156 . 17 1 1 A 20 20 LYS C C 20 173.419 175.271 -1.852 1 1 157 . 17 1 1 A 21 21 ALA N N 21 124.165 125.908 -1.743 1 1 158 . 17 1 1 A 21 21 ALA H H 21 7.779 8.088 -0.309 1 1 159 . 17 1 1 A 21 21 ALA CA C 21 50.486 50.346 0.140 1 1 160 . 17 1 1 A 21 21 ALA HA H 21 5.105 5.278 -0.173 1 1 161 . 17 1 1 A 21 21 ALA CB C 21 22.458 21.856 0.602 1 1 165 . 17 1 1 A 21 21 ALA C C 21 176.756 175.217 1.539 1 1 166 . 17 1 1 A 22 22 PHE N N 22 118.244 118.936 -0.692 1 1 167 . 17 1 1 A 22 22 PHE H H 22 8.986 8.909 0.077 1 1 168 . 17 1 1 A 22 22 PHE CA C 22 57.418 56.810 0.608 1 1 169 . 17 1 1 A 22 22 PHE HA H 22 4.717 4.856 -0.139 1 1 170 . 17 1 1 A 22 22 PHE CB C 22 43.231 42.892 0.339 1 1 183 . 17 1 1 A 22 22 PHE C C 22 175.604 175.775 -0.171 1 1 184 . 17 1 1 A 23 23 THR N N 23 112.986 117.919 -4.933 1 1 185 . 17 1 1 A 23 23 THR H H 23 8.941 8.694 0.247 1 1 186 . 17 1 1 A 23 23 THR CA C 23 63.847 63.801 0.046 1 1 187 . 17 1 1 A 23 23 THR HA H 23 4.470 4.405 0.065 1 1 188 . 17 1 1 A 23 23 THR CB C 23 69.556 69.945 -0.389 1 1 194 . 17 1 1 A 23 23 THR C C 23 174.032 173.667 0.365 1 1 195 . 17 1 1 A 24 24 ASP N N 24 118.330 118.889 -0.559 1 1 196 . 17 1 1 A 24 24 ASP H H 24 7.637 7.945 -0.308 1 1 197 . 17 1 1 A 24 24 ASP CA C 24 52.811 52.935 -0.124 1 1 198 . 17 1 1 A 24 24 ASP HA H 24 4.808 5.046 -0.238 1 1 199 . 17 1 1 A 24 24 ASP CB C 24 43.632 42.869 0.763 1 1 202 . 17 1 1 A 24 24 ASP C C 24 175.092 175.836 -0.744 1 1 203 . 17 1 1 A 25 25 ARG N N 25 124.562 125.777 -1.215 1 1 204 . 17 1 1 A 25 25 ARG H H 25 8.384 8.048 0.336 1 1 205 . 17 1 1 A 25 25 ARG CA C 25 59.227 59.416 -0.189 1 1 206 . 17 1 1 A 25 25 ARG HA H 25 3.139 3.059 0.080 1 1 207 . 17 1 1 A 25 25 ARG CB C 25 29.797 29.570 0.227 1 1 216 . 17 1 1 A 25 25 ARG C C 25 177.768 177.662 0.106 1 1 217 . 17 1 1 A 26 26 SER N N 26 114.310 113.890 0.420 1 1 218 . 17 1 1 A 26 26 SER H H 26 8.404 7.848 0.556 1 1 219 . 17 1 1 A 26 26 SER CA C 26 61.865 61.572 0.293 1 1 220 . 17 1 1 A 26 26 SER HA H 26 3.981 3.993 -0.012 1 1 221 . 17 1 1 A 26 26 SER CB C 26 62.116 63.040 -0.924 1 1 224 . 17 1 1 A 26 26 SER C C 26 177.339 176.997 0.342 1 1 225 . 17 1 1 A 27 27 ASN N N 27 120.170 120.006 0.164 1 1 226 . 17 1 1 A 27 27 ASN H H 27 8.024 7.892 0.132 1 1 227 . 17 1 1 A 27 27 ASN CA C 27 55.713 56.249 -0.536 1 1 228 . 17 1 1 A 27 27 ASN HA H 27 4.426 4.420 0.006 1 1 229 . 17 1 1 A 27 27 ASN CB C 27 38.343 38.206 0.137 1 1 235 . 17 1 1 A 27 27 ASN C C 27 177.564 177.537 0.027 1 1 236 . 17 1 1 A 28 28 LEU N N 28 123.285 120.361 2.924 1 1 237 . 17 1 1 A 28 28 LEU H H 28 7.047 7.518 -0.471 1 1 238 . 17 1 1 A 28 28 LEU CA C 28 58.259 57.678 0.581 1 1 239 . 17 1 1 A 28 28 LEU HA H 28 3.147 2.832 0.315 1 1 240 . 17 1 1 A 28 28 LEU CB C 28 40.313 41.014 -0.701 1 1 253 . 17 1 1 A 28 28 LEU C C 28 177.394 178.121 -0.727 1 1 254 . 17 1 1 A 29 29 ILE N N 29 119.714 119.740 -0.026 1 1 255 . 17 1 1 A 29 29 ILE H H 29 8.148 8.117 0.031 1 1 256 . 17 1 1 A 29 29 ILE CA C 29 64.564 65.076 -0.512 1 1 257 . 17 1 1 A 29 29 ILE HA H 29 3.692 3.466 0.226 1 1 258 . 17 1 1 A 29 29 ILE CB C 29 37.503 37.738 -0.235 1 1 271 . 17 1 1 A 29 29 ILE C C 29 179.034 177.944 1.090 1 1 272 . 17 1 1 A 30 30 LYS N N 30 118.869 120.843 -1.974 1 1 273 . 17 1 1 A 30 30 LYS H H 30 7.539 8.052 -0.513 1 1 274 . 17 1 1 A 30 30 LYS CA C 30 59.707 58.876 0.831 1 1 275 . 17 1 1 A 30 30 LYS HA H 30 3.917 3.993 -0.076 1 1 276 . 17 1 1 A 30 30 LYS CB C 30 32.807 31.935 0.872 1 1 288 . 17 1 1 A 30 30 LYS C C 30 179.031 178.739 0.292 1 1 289 . 17 1 1 A 31 31 HIS N N 31 118.737 119.392 -0.655 1 1 290 . 17 1 1 A 31 31 HIS H H 31 7.554 7.881 -0.327 1 1 291 . 17 1 1 A 31 31 HIS CA C 31 59.020 59.267 -0.247 1 1 292 . 17 1 1 A 31 31 HIS HA H 31 4.175 4.126 0.049 1 1 293 . 17 1 1 A 31 31 HIS CB C 31 28.480 29.700 -1.220 1 1 300 . 17 1 1 A 31 31 HIS C C 31 176.197 177.156 -0.959 1 1 301 . 17 1 1 A 32 32 GLN N N 32 115.420 118.331 -2.911 1 1 302 . 17 1 1 A 32 32 GLN H H 32 8.379 7.990 0.389 1 1 303 . 17 1 1 A 32 32 GLN CA C 32 59.377 58.927 0.450 1 1 304 . 17 1 1 A 32 32 GLN HA H 32 3.642 3.858 -0.216 1 1 305 . 17 1 1 A 32 32 GLN CB C 32 28.253 28.473 -0.220 1 1 314 . 17 1 1 A 32 32 GLN C C 32 177.510 178.737 -1.227 1 1 315 . 17 1 1 A 33 33 LYS N N 33 117.483 119.566 -2.083 1 1 316 . 17 1 1 A 33 33 LYS H H 33 7.088 7.886 -0.798 1 1 317 . 17 1 1 A 33 33 LYS CA C 33 58.393 59.123 -0.730 1 1 318 . 17 1 1 A 33 33 LYS HA H 33 4.094 4.020 0.074 1 1 319 . 17 1 1 A 33 33 LYS CB C 33 32.312 32.163 0.149 1 1 331 . 17 1 1 A 33 33 LYS C C 33 178.685 179.324 -0.639 1 1 332 . 17 1 1 A 34 34 ILE N N 34 116.168 116.500 -0.332 1 1 333 . 17 1 1 A 34 34 ILE H H 34 7.815 7.444 0.371 1 1 334 . 17 1 1 A 34 34 ILE CA C 34 63.019 62.995 0.024 1 1 335 . 17 1 1 A 34 34 ILE HA H 34 3.979 3.834 0.145 1 1 336 . 17 1 1 A 34 34 ILE CB C 34 37.697 37.163 0.534 1 1 349 . 17 1 1 A 34 34 ILE C C 34 177.346 177.043 0.303 1 1 350 . 17 1 1 A 35 35 HIS N N 35 117.330 119.847 -2.517 1 1 351 . 17 1 1 A 35 35 HIS H H 35 7.193 7.670 -0.477 1 1 352 . 17 1 1 A 35 35 HIS CA C 35 54.932 57.933 -3.001 1 1 353 . 17 1 1 A 35 35 HIS HA H 35 4.916 4.476 0.440 1 1 354 . 17 1 1 A 35 35 HIS CB C 35 28.387 31.012 -2.625 1 1 361 . 17 1 1 A 35 35 HIS C C 35 175.585 176.914 -1.329 1 1 362 . 17 1 1 A 36 36 THR N N 36 112.446 114.622 -2.176 1 1 363 . 17 1 1 A 36 36 THR H H 36 7.752 7.703 0.049 1 1 364 . 17 1 1 A 36 36 THR CA C 36 62.671 64.521 -1.850 1 1 365 . 17 1 1 A 36 36 THR HA H 36 4.329 4.122 0.207 1 1 366 . 17 1 1 A 36 36 THR CB C 36 69.763 69.362 0.401 1 1 372 . 17 1 1 A 36 36 THR C C 36 175.346 174.878 0.468 1 1 373 . 17 1 1 A 37 37 GLY N N 37 110.884 109.011 1.873 1 1 374 . 17 1 1 A 37 37 GLY H H 37 8.312 7.722 0.590 1 1 375 . 17 1 1 A 37 37 GLY CA C 37 45.315 45.016 0.299 1 1 376 . 17 1 1 A 37 37 GLY HA2 H 37 3.987 3.932 0.055 1 1 377 . 17 1 1 A 37 37 GLY HA3 H 37 3.987 3.944 0.043 1 1 378 . 17 1 1 A 37 37 GLY C C 37 174.024 172.816 1.208 1 1 379 . 17 1 1 A 38 38 GLU N N 38 120.586 123.121 -2.535 1 1 380 . 17 1 1 A 38 38 GLU H H 38 8.084 8.792 -0.708 1 1 381 . 17 1 1 A 38 38 GLU CA C 38 56.427 56.025 0.402 1 1 382 . 17 1 1 A 38 38 GLU HA H 38 4.248 4.606 -0.358 1 1 383 . 17 1 1 A 38 38 GLU CB C 38 30.573 31.061 -0.488 1 1 389 . 17 1 1 A 38 38 GLU C C 38 176.226 175.610 0.616 1 1 390 . 17 1 1 A 39 39 LYS N N 39 123.823 123.549 0.274 1 1 391 . 17 1 1 A 39 39 LYS H H 39 8.425 8.519 -0.094 1 1 392 . 17 1 1 A 39 39 LYS CA C 39 54.118 53.718 0.400 1 1 393 . 17 1 1 A 39 39 LYS HA H 39 4.604 5.021 -0.417 1 1 394 . 17 1 1 A 39 39 LYS CB C 39 32.536 33.326 -0.790 1 1 406 . 17 1 1 A 39 39 LYS C C 39 174.461 173.779 0.682 1 1 407 . 17 1 1 A 40 40 PRO CA C 40 63.231 62.711 0.520 1 1 408 . 17 1 1 A 40 40 PRO HA H 40 4.460 4.703 -0.243 1 1 409 . 17 1 1 A 40 40 PRO CB C 40 32.200 30.398 1.802 1 1 418 . 17 1 1 A 40 40 PRO C C 40 176.951 176.140 0.811 1 1 419 . 17 1 1 A 41 41 SER N N 41 116.497 119.683 -3.186 1 1 420 . 17 1 1 A 41 41 SER H H 41 8.475 8.261 0.214 1 1 421 . 17 1 1 A 41 41 SER CA C 41 58.375 57.917 0.458 1 1 422 . 17 1 1 A 41 41 SER HA H 41 4.491 4.771 -0.280 1 1 423 . 17 1 1 A 41 41 SER CB C 41 63.953 65.764 -1.811 1 1 425 . 17 1 1 A 41 41 SER C C 41 174.588 173.867 0.721 1 1 426 . 17 1 1 A 42 42 GLY CA C 42 44.665 44.882 -0.217 1 1 427 . 17 1 1 A 42 42 GLY HA2 H 42 4.111 4.142 -0.031 1 1 428 . 17 1 1 A 42 42 GLY HA3 H 42 4.153 4.142 0.011 1 1 429 . 17 1 1 A 43 43 PRO CA C 43 63.238 62.169 1.069 1 1 430 . 17 1 1 A 43 43 PRO HA H 43 4.467 4.731 -0.264 1 1 431 . 17 1 1 A 43 43 PRO CB C 43 32.174 29.937 2.237 1 1 440 . 17 1 1 A 45 45 SER CA C 45 58.360 60.384 -2.024 1 1 441 . 17 1 1 A 45 45 SER HA H 45 4.482 4.264 0.218 1 1 442 . 17 1 1 A 45 45 SER CB C 45 64.038 63.419 0.619 1 1 445 . 17 1 1 A 45 45 SER C C 45 173.890 174.313 -0.423 1 1 1 . 18 1 1 A 7 7 GLY CA C 7 45.428 46.831 -1.403 1 1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.031 3.838 0.193 1 1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.031 3.839 0.192 1 1 4 . 18 1 1 A 7 7 GLY C C 7 174.504 174.829 -0.325 1 1 5 . 18 1 1 A 8 8 THR N N 8 112.847 113.687 -0.840 1 1 6 . 18 1 1 A 8 8 THR H H 8 8.154 7.710 0.444 1 1 7 . 18 1 1 A 8 8 THR CA C 8 61.882 61.898 -0.016 1 1 8 . 18 1 1 A 8 8 THR HA H 8 4.361 4.262 0.099 1 1 9 . 18 1 1 A 8 8 THR CB C 8 69.841 70.112 -0.271 1 1 15 . 18 1 1 A 8 8 THR C C 8 175.257 174.693 0.564 1 1 16 . 18 1 1 A 9 9 GLY N N 9 110.940 109.034 1.906 1 1 17 . 18 1 1 A 9 9 GLY H H 9 8.452 8.581 -0.129 1 1 18 . 18 1 1 A 9 9 GLY CA C 9 45.278 46.468 -1.190 1 1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.920 4.147 -0.227 1 1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.920 4.151 -0.231 1 1 21 . 18 1 1 A 9 9 GLY C C 9 174.062 174.777 -0.715 1 1 22 . 18 1 1 A 10 10 GLU N N 10 120.294 120.480 -0.186 1 1 23 . 18 1 1 A 10 10 GLU H H 10 8.237 8.097 0.140 1 1 24 . 18 1 1 A 10 10 GLU CA C 10 56.821 58.403 -1.582 1 1 25 . 18 1 1 A 10 10 GLU HA H 10 4.205 4.242 -0.037 1 1 26 . 18 1 1 A 10 10 GLU CB C 10 30.426 30.148 0.278 1 1 32 . 18 1 1 A 10 10 GLU C C 10 176.322 177.269 -0.947 1 1 33 . 18 1 1 A 11 11 ARG N N 11 121.374 119.856 1.518 1 1 34 . 18 1 1 A 11 11 ARG H H 11 8.295 7.366 0.929 1 1 35 . 18 1 1 A 11 11 ARG CA C 11 53.547 54.850 -1.303 1 1 36 . 18 1 1 A 11 11 ARG HA H 11 4.539 4.415 0.124 1 1 37 . 18 1 1 A 11 11 ARG CB C 11 30.672 29.867 0.805 1 1 45 . 18 1 1 A 11 11 ARG C C 11 173.550 176.151 -2.601 1 1 46 . 18 1 1 A 12 12 PRO CA C 12 63.252 64.800 -1.548 1 1 47 . 18 1 1 A 12 12 PRO HA H 12 4.335 4.243 0.092 1 1 48 . 18 1 1 A 12 12 PRO CB C 12 32.315 31.505 0.810 1 1 57 . 18 1 1 A 12 12 PRO C C 12 176.312 175.850 0.462 1 1 58 . 18 1 1 A 13 13 TYR N N 13 119.535 117.616 1.919 1 1 59 . 18 1 1 A 13 13 TYR H H 13 8.022 7.595 0.427 1 1 60 . 18 1 1 A 13 13 TYR CA C 13 57.666 56.830 0.836 1 1 61 . 18 1 1 A 13 13 TYR HA H 13 4.597 5.316 -0.719 1 1 62 . 18 1 1 A 13 13 TYR CB C 13 38.476 41.503 -3.027 1 1 73 . 18 1 1 A 13 13 TYR C C 13 174.475 175.032 -0.557 1 1 74 . 18 1 1 A 14 14 ILE N N 14 124.578 121.791 2.787 1 1 75 . 18 1 1 A 14 14 ILE H H 14 8.338 8.752 -0.414 1 1 76 . 18 1 1 A 14 14 ILE CA C 14 59.714 60.380 -0.666 1 1 77 . 18 1 1 A 14 14 ILE HA H 14 4.675 4.889 -0.214 1 1 78 . 18 1 1 A 14 14 ILE CB C 14 40.638 41.606 -0.968 1 1 91 . 18 1 1 A 14 14 ILE C C 14 175.750 175.040 0.710 1 1 92 . 18 1 1 A 15 15 CYS N N 15 128.935 127.141 1.794 1 1 93 . 18 1 1 A 15 15 CYS H H 15 9.278 9.394 -0.116 1 1 94 . 18 1 1 A 15 15 CYS CA C 15 59.752 60.356 -0.604 1 1 95 . 18 1 1 A 15 15 CYS HA H 15 4.624 4.451 0.173 1 1 96 . 18 1 1 A 15 15 CYS CB C 15 29.428 28.623 0.805 1 1 99 . 18 1 1 A 15 15 CYS C C 15 177.330 175.393 1.937 1 1 100 . 18 1 1 A 16 16 THR N N 16 124.216 122.517 1.699 1 1 101 . 18 1 1 A 16 16 THR H H 16 8.902 8.721 0.181 1 1 102 . 18 1 1 A 16 16 THR CA C 16 64.298 64.585 -0.287 1 1 103 . 18 1 1 A 16 16 THR HA H 16 4.130 4.325 -0.195 1 1 104 . 18 1 1 A 16 16 THR CB C 16 68.664 69.791 -1.127 1 1 110 . 18 1 1 A 16 16 THR C C 16 174.750 176.462 -1.712 1 1 111 . 18 1 1 A 17 17 VAL N N 17 123.592 120.881 2.711 1 1 112 . 18 1 1 A 17 17 VAL H H 17 8.618 7.328 1.290 1 1 113 . 18 1 1 A 17 17 VAL CA C 17 65.222 66.631 -1.409 1 1 114 . 18 1 1 A 17 17 VAL HA H 17 3.795 3.380 0.415 1 1 115 . 18 1 1 A 17 17 VAL CB C 17 32.714 31.197 1.517 1 1 125 . 18 1 1 A 17 17 VAL C C 17 177.090 177.608 -0.518 1 1 126 . 18 1 1 A 18 18 CYS N N 18 115.099 114.657 0.442 1 1 127 . 18 1 1 A 18 18 CYS H H 18 7.957 7.358 0.599 1 1 128 . 18 1 1 A 18 18 CYS CA C 18 58.176 59.689 -1.513 1 1 129 . 18 1 1 A 18 18 CYS HA H 18 5.159 4.562 0.597 1 1 130 . 18 1 1 A 18 18 CYS CB C 18 32.806 29.471 3.335 1 1 133 . 18 1 1 A 18 18 CYS C C 18 176.462 175.263 1.199 1 1 134 . 18 1 1 A 19 19 GLY N N 19 113.815 110.272 3.543 1 1 135 . 18 1 1 A 19 19 GLY H H 19 8.183 8.131 0.052 1 1 136 . 18 1 1 A 19 19 GLY CA C 19 46.160 45.192 0.968 1 1 137 . 18 1 1 A 19 19 GLY HA2 H 19 4.209 4.067 0.142 1 1 138 . 18 1 1 A 19 19 GLY HA3 H 19 3.748 4.076 -0.328 1 1 139 . 18 1 1 A 19 19 GLY C C 19 173.546 174.455 -0.909 1 1 140 . 18 1 1 A 20 20 LYS N N 20 123.111 121.850 1.261 1 1 141 . 18 1 1 A 20 20 LYS H H 20 7.986 8.044 -0.058 1 1 142 . 18 1 1 A 20 20 LYS CA C 20 58.320 55.562 2.758 1 1 143 . 18 1 1 A 20 20 LYS HA H 20 3.936 4.324 -0.388 1 1 144 . 18 1 1 A 20 20 LYS CB C 20 33.685 33.507 0.178 1 1 156 . 18 1 1 A 20 20 LYS C C 20 173.419 175.565 -2.146 1 1 157 . 18 1 1 A 21 21 ALA N N 21 124.165 128.162 -3.997 1 1 158 . 18 1 1 A 21 21 ALA H H 21 7.779 8.557 -0.778 1 1 159 . 18 1 1 A 21 21 ALA CA C 21 50.486 49.985 0.501 1 1 160 . 18 1 1 A 21 21 ALA HA H 21 5.105 5.410 -0.305 1 1 161 . 18 1 1 A 21 21 ALA CB C 21 22.458 21.725 0.733 1 1 165 . 18 1 1 A 21 21 ALA C C 21 176.756 176.183 0.573 1 1 166 . 18 1 1 A 22 22 PHE N N 22 118.244 118.160 0.084 1 1 167 . 18 1 1 A 22 22 PHE H H 22 8.986 8.713 0.273 1 1 168 . 18 1 1 A 22 22 PHE CA C 22 57.418 56.829 0.589 1 1 169 . 18 1 1 A 22 22 PHE HA H 22 4.717 4.812 -0.095 1 1 170 . 18 1 1 A 22 22 PHE CB C 22 43.231 42.755 0.476 1 1 183 . 18 1 1 A 22 22 PHE C C 22 175.604 175.980 -0.376 1 1 184 . 18 1 1 A 23 23 THR N N 23 112.986 115.949 -2.963 1 1 185 . 18 1 1 A 23 23 THR H H 23 8.941 8.669 0.272 1 1 186 . 18 1 1 A 23 23 THR CA C 23 63.847 64.667 -0.820 1 1 187 . 18 1 1 A 23 23 THR HA H 23 4.470 4.322 0.148 1 1 188 . 18 1 1 A 23 23 THR CB C 23 69.556 69.099 0.457 1 1 194 . 18 1 1 A 23 23 THR C C 23 174.032 173.674 0.358 1 1 195 . 18 1 1 A 24 24 ASP N N 24 118.330 122.059 -3.729 1 1 196 . 18 1 1 A 24 24 ASP H H 24 7.637 8.072 -0.435 1 1 197 . 18 1 1 A 24 24 ASP CA C 24 52.811 53.133 -0.322 1 1 198 . 18 1 1 A 24 24 ASP HA H 24 4.808 4.952 -0.144 1 1 199 . 18 1 1 A 24 24 ASP CB C 24 43.632 42.532 1.100 1 1 202 . 18 1 1 A 24 24 ASP C C 24 175.092 176.067 -0.975 1 1 203 . 18 1 1 A 25 25 ARG N N 25 124.562 125.896 -1.334 1 1 204 . 18 1 1 A 25 25 ARG H H 25 8.384 8.613 -0.229 1 1 205 . 18 1 1 A 25 25 ARG CA C 25 59.227 59.274 -0.047 1 1 206 . 18 1 1 A 25 25 ARG HA H 25 3.139 2.854 0.285 1 1 207 . 18 1 1 A 25 25 ARG CB C 25 29.797 29.698 0.099 1 1 216 . 18 1 1 A 25 25 ARG C C 25 177.768 177.718 0.050 1 1 217 . 18 1 1 A 26 26 SER N N 26 114.310 113.953 0.357 1 1 218 . 18 1 1 A 26 26 SER H H 26 8.404 7.709 0.695 1 1 219 . 18 1 1 A 26 26 SER CA C 26 61.865 61.620 0.245 1 1 220 . 18 1 1 A 26 26 SER HA H 26 3.981 3.983 -0.002 1 1 221 . 18 1 1 A 26 26 SER CB C 26 62.116 62.999 -0.883 1 1 224 . 18 1 1 A 26 26 SER C C 26 177.339 177.183 0.156 1 1 225 . 18 1 1 A 27 27 ASN N N 27 120.170 120.009 0.161 1 1 226 . 18 1 1 A 27 27 ASN H H 27 8.024 8.144 -0.120 1 1 227 . 18 1 1 A 27 27 ASN CA C 27 55.713 56.303 -0.590 1 1 228 . 18 1 1 A 27 27 ASN HA H 27 4.426 4.214 0.212 1 1 229 . 18 1 1 A 27 27 ASN CB C 27 38.343 37.832 0.511 1 1 235 . 18 1 1 A 27 27 ASN C C 27 177.564 177.510 0.054 1 1 236 . 18 1 1 A 28 28 LEU N N 28 123.285 120.777 2.508 1 1 237 . 18 1 1 A 28 28 LEU H H 28 7.047 7.688 -0.641 1 1 238 . 18 1 1 A 28 28 LEU CA C 28 58.259 58.157 0.102 1 1 239 . 18 1 1 A 28 28 LEU HA H 28 3.147 3.029 0.118 1 1 240 . 18 1 1 A 28 28 LEU CB C 28 40.313 41.553 -1.240 1 1 253 . 18 1 1 A 28 28 LEU C C 28 177.394 178.448 -1.054 1 1 254 . 18 1 1 A 29 29 ILE N N 29 119.714 120.048 -0.334 1 1 255 . 18 1 1 A 29 29 ILE H H 29 8.148 7.822 0.326 1 1 256 . 18 1 1 A 29 29 ILE CA C 29 64.564 65.409 -0.845 1 1 257 . 18 1 1 A 29 29 ILE HA H 29 3.692 3.482 0.210 1 1 258 . 18 1 1 A 29 29 ILE CB C 29 37.503 37.693 -0.190 1 1 271 . 18 1 1 A 29 29 ILE C C 29 179.034 178.194 0.840 1 1 272 . 18 1 1 A 30 30 LYS N N 30 118.869 120.807 -1.938 1 1 273 . 18 1 1 A 30 30 LYS H H 30 7.539 8.048 -0.509 1 1 274 . 18 1 1 A 30 30 LYS CA C 30 59.707 58.725 0.982 1 1 275 . 18 1 1 A 30 30 LYS HA H 30 3.917 3.945 -0.028 1 1 276 . 18 1 1 A 30 30 LYS CB C 30 32.807 31.794 1.013 1 1 288 . 18 1 1 A 30 30 LYS C C 30 179.031 178.732 0.299 1 1 289 . 18 1 1 A 31 31 HIS N N 31 118.737 119.393 -0.656 1 1 290 . 18 1 1 A 31 31 HIS H H 31 7.554 7.968 -0.414 1 1 291 . 18 1 1 A 31 31 HIS CA C 31 59.020 59.473 -0.453 1 1 292 . 18 1 1 A 31 31 HIS HA H 31 4.175 4.173 0.002 1 1 293 . 18 1 1 A 31 31 HIS CB C 31 28.480 29.866 -1.386 1 1 300 . 18 1 1 A 31 31 HIS C C 31 176.197 177.611 -1.414 1 1 301 . 18 1 1 A 32 32 GLN N N 32 115.420 118.716 -3.296 1 1 302 . 18 1 1 A 32 32 GLN H H 32 8.379 8.334 0.045 1 1 303 . 18 1 1 A 32 32 GLN CA C 32 59.377 58.957 0.420 1 1 304 . 18 1 1 A 32 32 GLN HA H 32 3.642 3.946 -0.304 1 1 305 . 18 1 1 A 32 32 GLN CB C 32 28.253 28.320 -0.067 1 1 314 . 18 1 1 A 32 32 GLN C C 32 177.510 178.548 -1.038 1 1 315 . 18 1 1 A 33 33 LYS N N 33 117.483 119.554 -2.071 1 1 316 . 18 1 1 A 33 33 LYS H H 33 7.088 7.795 -0.707 1 1 317 . 18 1 1 A 33 33 LYS CA C 33 58.393 58.907 -0.514 1 1 318 . 18 1 1 A 33 33 LYS HA H 33 4.094 3.991 0.103 1 1 319 . 18 1 1 A 33 33 LYS CB C 33 32.312 31.882 0.430 1 1 331 . 18 1 1 A 33 33 LYS C C 33 178.685 179.209 -0.524 1 1 332 . 18 1 1 A 34 34 ILE N N 34 116.168 116.198 -0.030 1 1 333 . 18 1 1 A 34 34 ILE H H 34 7.815 7.758 0.057 1 1 334 . 18 1 1 A 34 34 ILE CA C 34 63.019 63.337 -0.318 1 1 335 . 18 1 1 A 34 34 ILE HA H 34 3.979 3.772 0.207 1 1 336 . 18 1 1 A 34 34 ILE CB C 34 37.697 37.119 0.578 1 1 349 . 18 1 1 A 34 34 ILE C C 34 177.346 176.520 0.826 1 1 350 . 18 1 1 A 35 35 HIS N N 35 117.330 119.667 -2.337 1 1 351 . 18 1 1 A 35 35 HIS H H 35 7.193 7.549 -0.356 1 1 352 . 18 1 1 A 35 35 HIS CA C 35 54.932 55.684 -0.752 1 1 353 . 18 1 1 A 35 35 HIS HA H 35 4.916 4.722 0.194 1 1 354 . 18 1 1 A 35 35 HIS CB C 35 28.387 29.671 -1.284 1 1 361 . 18 1 1 A 35 35 HIS C C 35 175.585 174.716 0.869 1 1 362 . 18 1 1 A 36 36 THR N N 36 112.446 113.108 -0.662 1 1 363 . 18 1 1 A 36 36 THR H H 36 7.752 7.533 0.219 1 1 364 . 18 1 1 A 36 36 THR CA C 36 62.671 61.469 1.202 1 1 365 . 18 1 1 A 36 36 THR HA H 36 4.329 4.589 -0.260 1 1 366 . 18 1 1 A 36 36 THR CB C 36 69.763 70.994 -1.231 1 1 372 . 18 1 1 A 36 36 THR C C 36 175.346 172.953 2.393 1 1 373 . 18 1 1 A 37 37 GLY N N 37 110.884 114.874 -3.990 1 1 374 . 18 1 1 A 37 37 GLY H H 37 8.312 8.455 -0.143 1 1 375 . 18 1 1 A 37 37 GLY CA C 37 45.315 45.122 0.193 1 1 376 . 18 1 1 A 37 37 GLY HA2 H 37 3.987 4.238 -0.251 1 1 377 . 18 1 1 A 37 37 GLY HA3 H 37 3.987 4.238 -0.251 1 1 378 . 18 1 1 A 37 37 GLY C C 37 174.024 174.338 -0.314 1 1 379 . 18 1 1 A 38 38 GLU N N 38 120.586 122.110 -1.524 1 1 380 . 18 1 1 A 38 38 GLU H H 38 8.084 8.985 -0.901 1 1 381 . 18 1 1 A 38 38 GLU CA C 38 56.427 57.672 -1.245 1 1 382 . 18 1 1 A 38 38 GLU HA H 38 4.248 4.463 -0.215 1 1 383 . 18 1 1 A 38 38 GLU CB C 38 30.573 31.472 -0.899 1 1 389 . 18 1 1 A 38 38 GLU C C 38 176.226 176.336 -0.110 1 1 390 . 18 1 1 A 39 39 LYS N N 39 123.823 120.165 3.658 1 1 391 . 18 1 1 A 39 39 LYS H H 39 8.425 7.590 0.835 1 1 392 . 18 1 1 A 39 39 LYS CA C 39 54.118 54.157 -0.039 1 1 393 . 18 1 1 A 39 39 LYS HA H 39 4.604 4.514 0.090 1 1 394 . 18 1 1 A 39 39 LYS CB C 39 32.536 33.286 -0.750 1 1 406 . 18 1 1 A 39 39 LYS C C 39 174.461 175.222 -0.761 1 1 407 . 18 1 1 A 40 40 PRO CA C 40 63.231 62.556 0.675 1 1 408 . 18 1 1 A 40 40 PRO HA H 40 4.460 4.602 -0.142 1 1 409 . 18 1 1 A 40 40 PRO CB C 40 32.200 32.772 -0.572 1 1 418 . 18 1 1 A 40 40 PRO C C 40 176.951 177.224 -0.273 1 1 419 . 18 1 1 A 41 41 SER N N 41 116.497 117.019 -0.522 1 1 420 . 18 1 1 A 41 41 SER H H 41 8.475 8.793 -0.318 1 1 421 . 18 1 1 A 41 41 SER CA C 41 58.375 60.025 -1.650 1 1 422 . 18 1 1 A 41 41 SER HA H 41 4.491 4.363 0.128 1 1 423 . 18 1 1 A 41 41 SER CB C 41 63.953 63.824 0.129 1 1 425 . 18 1 1 A 41 41 SER C C 41 174.588 174.568 0.020 1 1 426 . 18 1 1 A 42 42 GLY CA C 42 44.665 44.902 -0.237 1 1 427 . 18 1 1 A 42 42 GLY HA2 H 42 4.111 4.049 0.062 1 1 428 . 18 1 1 A 42 42 GLY HA3 H 42 4.153 4.049 0.104 1 1 429 . 18 1 1 A 43 43 PRO CA C 43 63.238 62.776 0.462 1 1 430 . 18 1 1 A 43 43 PRO HA H 43 4.467 4.522 -0.055 1 1 431 . 18 1 1 A 43 43 PRO CB C 43 32.174 31.973 0.201 1 1 440 . 18 1 1 A 45 45 SER CA C 45 58.360 58.658 -0.298 1 1 441 . 18 1 1 A 45 45 SER HA H 45 4.482 4.835 -0.353 1 1 442 . 18 1 1 A 45 45 SER CB C 45 64.038 63.659 0.379 1 1 445 . 18 1 1 A 45 45 SER C C 45 173.890 175.074 -1.184 1 1 1 . 19 1 1 A 7 7 GLY CA C 7 45.428 47.085 -1.657 1 1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.031 3.868 0.163 1 1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.031 3.870 0.161 1 1 4 . 19 1 1 A 7 7 GLY C C 7 174.504 175.063 -0.559 1 1 5 . 19 1 1 A 8 8 THR N N 8 112.847 120.017 -7.170 1 1 6 . 19 1 1 A 8 8 THR H H 8 8.154 8.458 -0.304 1 1 7 . 19 1 1 A 8 8 THR CA C 8 61.882 63.604 -1.722 1 1 8 . 19 1 1 A 8 8 THR HA H 8 4.361 4.504 -0.143 1 1 9 . 19 1 1 A 8 8 THR CB C 8 69.841 70.878 -1.037 1 1 15 . 19 1 1 A 8 8 THR C C 8 175.257 174.325 0.932 1 1 16 . 19 1 1 A 9 9 GLY N N 9 110.940 106.924 4.016 1 1 17 . 19 1 1 A 9 9 GLY H H 9 8.452 7.889 0.563 1 1 18 . 19 1 1 A 9 9 GLY CA C 9 45.278 44.043 1.235 1 1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.920 4.027 -0.107 1 1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.920 4.029 -0.109 1 1 21 . 19 1 1 A 9 9 GLY C C 9 174.062 171.951 2.111 1 1 22 . 19 1 1 A 10 10 GLU N N 10 120.294 120.594 -0.300 1 1 23 . 19 1 1 A 10 10 GLU H H 10 8.237 9.059 -0.822 1 1 24 . 19 1 1 A 10 10 GLU CA C 10 56.821 55.212 1.609 1 1 25 . 19 1 1 A 10 10 GLU HA H 10 4.205 4.668 -0.463 1 1 26 . 19 1 1 A 10 10 GLU CB C 10 30.426 32.100 -1.674 1 1 32 . 19 1 1 A 10 10 GLU C C 10 176.322 176.625 -0.303 1 1 33 . 19 1 1 A 11 11 ARG N N 11 121.374 124.592 -3.218 1 1 34 . 19 1 1 A 11 11 ARG H H 11 8.295 8.536 -0.241 1 1 35 . 19 1 1 A 11 11 ARG CA C 11 53.547 55.055 -1.508 1 1 36 . 19 1 1 A 11 11 ARG HA H 11 4.539 4.285 0.254 1 1 37 . 19 1 1 A 11 11 ARG CB C 11 30.672 30.128 0.544 1 1 45 . 19 1 1 A 11 11 ARG C C 11 173.550 176.688 -3.138 1 1 46 . 19 1 1 A 12 12 PRO CA C 12 63.252 65.078 -1.826 1 1 47 . 19 1 1 A 12 12 PRO HA H 12 4.335 4.283 0.052 1 1 48 . 19 1 1 A 12 12 PRO CB C 12 32.315 31.573 0.742 1 1 57 . 19 1 1 A 12 12 PRO C C 12 176.312 175.846 0.466 1 1 58 . 19 1 1 A 13 13 TYR N N 13 119.535 118.202 1.333 1 1 59 . 19 1 1 A 13 13 TYR H H 13 8.022 7.817 0.205 1 1 60 . 19 1 1 A 13 13 TYR CA C 13 57.666 57.872 -0.206 1 1 61 . 19 1 1 A 13 13 TYR HA H 13 4.597 4.869 -0.272 1 1 62 . 19 1 1 A 13 13 TYR CB C 13 38.476 40.266 -1.790 1 1 73 . 19 1 1 A 13 13 TYR C C 13 174.475 175.928 -1.453 1 1 74 . 19 1 1 A 14 14 ILE N N 14 124.578 121.712 2.866 1 1 75 . 19 1 1 A 14 14 ILE H H 14 8.338 8.735 -0.397 1 1 76 . 19 1 1 A 14 14 ILE CA C 14 59.714 60.492 -0.778 1 1 77 . 19 1 1 A 14 14 ILE HA H 14 4.675 4.920 -0.245 1 1 78 . 19 1 1 A 14 14 ILE CB C 14 40.638 41.379 -0.741 1 1 91 . 19 1 1 A 14 14 ILE C C 14 175.750 175.174 0.576 1 1 92 . 19 1 1 A 15 15 CYS N N 15 128.935 127.300 1.635 1 1 93 . 19 1 1 A 15 15 CYS H H 15 9.278 9.238 0.040 1 1 94 . 19 1 1 A 15 15 CYS CA C 15 59.752 60.014 -0.262 1 1 95 . 19 1 1 A 15 15 CYS HA H 15 4.624 4.395 0.229 1 1 96 . 19 1 1 A 15 15 CYS CB C 15 29.428 28.413 1.015 1 1 99 . 19 1 1 A 15 15 CYS C C 15 177.330 174.944 2.386 1 1 100 . 19 1 1 A 16 16 THR N N 16 124.216 120.211 4.005 1 1 101 . 19 1 1 A 16 16 THR H H 16 8.902 8.693 0.209 1 1 102 . 19 1 1 A 16 16 THR CA C 16 64.298 64.765 -0.467 1 1 103 . 19 1 1 A 16 16 THR HA H 16 4.130 4.371 -0.241 1 1 104 . 19 1 1 A 16 16 THR CB C 16 68.664 70.015 -1.351 1 1 110 . 19 1 1 A 16 16 THR C C 16 174.750 176.586 -1.836 1 1 111 . 19 1 1 A 17 17 VAL N N 17 123.592 120.863 2.729 1 1 112 . 19 1 1 A 17 17 VAL H H 17 8.618 7.385 1.233 1 1 113 . 19 1 1 A 17 17 VAL CA C 17 65.222 66.621 -1.399 1 1 114 . 19 1 1 A 17 17 VAL HA H 17 3.795 3.354 0.441 1 1 115 . 19 1 1 A 17 17 VAL CB C 17 32.714 31.067 1.647 1 1 125 . 19 1 1 A 17 17 VAL C C 17 177.090 177.567 -0.477 1 1 126 . 19 1 1 A 18 18 CYS N N 18 115.099 114.653 0.446 1 1 127 . 19 1 1 A 18 18 CYS H H 18 7.957 7.352 0.605 1 1 128 . 19 1 1 A 18 18 CYS CA C 18 58.176 59.678 -1.502 1 1 129 . 19 1 1 A 18 18 CYS HA H 18 5.159 4.561 0.598 1 1 130 . 19 1 1 A 18 18 CYS CB C 18 32.806 29.568 3.238 1 1 133 . 19 1 1 A 18 18 CYS C C 18 176.462 175.253 1.209 1 1 134 . 19 1 1 A 19 19 GLY N N 19 113.815 110.295 3.520 1 1 135 . 19 1 1 A 19 19 GLY H H 19 8.183 8.015 0.168 1 1 136 . 19 1 1 A 19 19 GLY CA C 19 46.160 45.139 1.021 1 1 137 . 19 1 1 A 19 19 GLY HA2 H 19 4.209 4.069 0.140 1 1 138 . 19 1 1 A 19 19 GLY HA3 H 19 3.748 4.077 -0.329 1 1 139 . 19 1 1 A 19 19 GLY C C 19 173.546 174.468 -0.922 1 1 140 . 19 1 1 A 20 20 LYS N N 20 123.111 121.981 1.130 1 1 141 . 19 1 1 A 20 20 LYS H H 20 7.986 7.991 -0.005 1 1 142 . 19 1 1 A 20 20 LYS CA C 20 58.320 55.818 2.502 1 1 143 . 19 1 1 A 20 20 LYS HA H 20 3.936 4.316 -0.380 1 1 144 . 19 1 1 A 20 20 LYS CB C 20 33.685 33.579 0.106 1 1 156 . 19 1 1 A 20 20 LYS C C 20 173.419 175.498 -2.079 1 1 157 . 19 1 1 A 21 21 ALA N N 21 124.165 127.325 -3.160 1 1 158 . 19 1 1 A 21 21 ALA H H 21 7.779 8.255 -0.476 1 1 159 . 19 1 1 A 21 21 ALA CA C 21 50.486 49.883 0.603 1 1 160 . 19 1 1 A 21 21 ALA HA H 21 5.105 5.572 -0.467 1 1 161 . 19 1 1 A 21 21 ALA CB C 21 22.458 22.342 0.116 1 1 165 . 19 1 1 A 21 21 ALA C C 21 176.756 175.980 0.776 1 1 166 . 19 1 1 A 22 22 PHE N N 22 118.244 118.763 -0.519 1 1 167 . 19 1 1 A 22 22 PHE H H 22 8.986 8.824 0.162 1 1 168 . 19 1 1 A 22 22 PHE CA C 22 57.418 56.742 0.676 1 1 169 . 19 1 1 A 22 22 PHE HA H 22 4.717 4.829 -0.112 1 1 170 . 19 1 1 A 22 22 PHE CB C 22 43.231 43.383 -0.152 1 1 183 . 19 1 1 A 22 22 PHE C C 22 175.604 175.671 -0.067 1 1 184 . 19 1 1 A 23 23 THR N N 23 112.986 117.292 -4.306 1 1 185 . 19 1 1 A 23 23 THR H H 23 8.941 8.752 0.189 1 1 186 . 19 1 1 A 23 23 THR CA C 23 63.847 63.640 0.207 1 1 187 . 19 1 1 A 23 23 THR HA H 23 4.470 4.426 0.044 1 1 188 . 19 1 1 A 23 23 THR CB C 23 69.556 69.910 -0.354 1 1 194 . 19 1 1 A 23 23 THR C C 23 174.032 173.660 0.372 1 1 195 . 19 1 1 A 24 24 ASP N N 24 118.330 118.583 -0.253 1 1 196 . 19 1 1 A 24 24 ASP H H 24 7.637 7.868 -0.231 1 1 197 . 19 1 1 A 24 24 ASP CA C 24 52.811 53.099 -0.288 1 1 198 . 19 1 1 A 24 24 ASP HA H 24 4.808 5.186 -0.378 1 1 199 . 19 1 1 A 24 24 ASP CB C 24 43.632 44.123 -0.491 1 1 202 . 19 1 1 A 24 24 ASP C C 24 175.092 176.053 -0.961 1 1 203 . 19 1 1 A 25 25 ARG N N 25 124.562 124.311 0.251 1 1 204 . 19 1 1 A 25 25 ARG H H 25 8.384 8.265 0.119 1 1 205 . 19 1 1 A 25 25 ARG CA C 25 59.227 59.073 0.154 1 1 206 . 19 1 1 A 25 25 ARG HA H 25 3.139 3.244 -0.105 1 1 207 . 19 1 1 A 25 25 ARG CB C 25 29.797 29.388 0.409 1 1 216 . 19 1 1 A 25 25 ARG C C 25 177.768 177.574 0.194 1 1 217 . 19 1 1 A 26 26 SER N N 26 114.310 115.511 -1.201 1 1 218 . 19 1 1 A 26 26 SER H H 26 8.404 8.272 0.132 1 1 219 . 19 1 1 A 26 26 SER CA C 26 61.865 60.859 1.006 1 1 220 . 19 1 1 A 26 26 SER HA H 26 3.981 4.104 -0.123 1 1 221 . 19 1 1 A 26 26 SER CB C 26 62.116 62.299 -0.183 1 1 224 . 19 1 1 A 26 26 SER C C 26 177.339 177.112 0.227 1 1 225 . 19 1 1 A 27 27 ASN N N 27 120.170 120.190 -0.020 1 1 226 . 19 1 1 A 27 27 ASN H H 27 8.024 8.081 -0.057 1 1 227 . 19 1 1 A 27 27 ASN CA C 27 55.713 55.879 -0.166 1 1 228 . 19 1 1 A 27 27 ASN HA H 27 4.426 4.397 0.029 1 1 229 . 19 1 1 A 27 27 ASN CB C 27 38.343 37.958 0.385 1 1 235 . 19 1 1 A 27 27 ASN C C 27 177.564 177.576 -0.012 1 1 236 . 19 1 1 A 28 28 LEU N N 28 123.285 120.154 3.131 1 1 237 . 19 1 1 A 28 28 LEU H H 28 7.047 7.402 -0.355 1 1 238 . 19 1 1 A 28 28 LEU CA C 28 58.259 56.718 1.541 1 1 239 . 19 1 1 A 28 28 LEU HA H 28 3.147 2.872 0.275 1 1 240 . 19 1 1 A 28 28 LEU CB C 28 40.313 41.846 -1.533 1 1 253 . 19 1 1 A 28 28 LEU C C 28 177.394 178.182 -0.788 1 1 254 . 19 1 1 A 29 29 ILE N N 29 119.714 120.154 -0.440 1 1 255 . 19 1 1 A 29 29 ILE H H 29 8.148 8.272 -0.124 1 1 256 . 19 1 1 A 29 29 ILE CA C 29 64.564 65.280 -0.716 1 1 257 . 19 1 1 A 29 29 ILE HA H 29 3.692 3.578 0.114 1 1 258 . 19 1 1 A 29 29 ILE CB C 29 37.503 37.618 -0.115 1 1 271 . 19 1 1 A 29 29 ILE C C 29 179.034 178.275 0.759 1 1 272 . 19 1 1 A 30 30 LYS N N 30 118.869 120.455 -1.586 1 1 273 . 19 1 1 A 30 30 LYS H H 30 7.539 7.748 -0.209 1 1 274 . 19 1 1 A 30 30 LYS CA C 30 59.707 58.807 0.900 1 1 275 . 19 1 1 A 30 30 LYS HA H 30 3.917 4.061 -0.144 1 1 276 . 19 1 1 A 30 30 LYS CB C 30 32.807 31.806 1.001 1 1 288 . 19 1 1 A 30 30 LYS C C 30 179.031 178.576 0.455 1 1 289 . 19 1 1 A 31 31 HIS N N 31 118.737 119.900 -1.163 1 1 290 . 19 1 1 A 31 31 HIS H H 31 7.554 8.297 -0.743 1 1 291 . 19 1 1 A 31 31 HIS CA C 31 59.020 59.411 -0.391 1 1 292 . 19 1 1 A 31 31 HIS HA H 31 4.175 4.191 -0.016 1 1 293 . 19 1 1 A 31 31 HIS CB C 31 28.480 29.948 -1.468 1 1 300 . 19 1 1 A 31 31 HIS C C 31 176.197 177.427 -1.230 1 1 301 . 19 1 1 A 32 32 GLN N N 32 115.420 117.938 -2.518 1 1 302 . 19 1 1 A 32 32 GLN H H 32 8.379 8.113 0.266 1 1 303 . 19 1 1 A 32 32 GLN CA C 32 59.377 58.885 0.492 1 1 304 . 19 1 1 A 32 32 GLN HA H 32 3.642 3.993 -0.351 1 1 305 . 19 1 1 A 32 32 GLN CB C 32 28.253 28.339 -0.086 1 1 314 . 19 1 1 A 32 32 GLN C C 32 177.510 178.561 -1.051 1 1 315 . 19 1 1 A 33 33 LYS N N 33 117.483 119.395 -1.912 1 1 316 . 19 1 1 A 33 33 LYS H H 33 7.088 7.792 -0.704 1 1 317 . 19 1 1 A 33 33 LYS CA C 33 58.393 59.029 -0.636 1 1 318 . 19 1 1 A 33 33 LYS HA H 33 4.094 4.039 0.055 1 1 319 . 19 1 1 A 33 33 LYS CB C 33 32.312 32.311 0.001 1 1 331 . 19 1 1 A 33 33 LYS C C 33 178.685 179.306 -0.621 1 1 332 . 19 1 1 A 34 34 ILE N N 34 116.168 116.725 -0.557 1 1 333 . 19 1 1 A 34 34 ILE H H 34 7.815 7.735 0.080 1 1 334 . 19 1 1 A 34 34 ILE CA C 34 63.019 63.240 -0.221 1 1 335 . 19 1 1 A 34 34 ILE HA H 34 3.979 3.771 0.208 1 1 336 . 19 1 1 A 34 34 ILE CB C 34 37.697 37.114 0.583 1 1 349 . 19 1 1 A 34 34 ILE C C 34 177.346 176.600 0.746 1 1 350 . 19 1 1 A 35 35 HIS N N 35 117.330 119.238 -1.908 1 1 351 . 19 1 1 A 35 35 HIS H H 35 7.193 7.983 -0.790 1 1 352 . 19 1 1 A 35 35 HIS CA C 35 54.932 56.749 -1.817 1 1 353 . 19 1 1 A 35 35 HIS HA H 35 4.916 4.535 0.381 1 1 354 . 19 1 1 A 35 35 HIS CB C 35 28.387 30.655 -2.268 1 1 361 . 19 1 1 A 35 35 HIS C C 35 175.585 175.741 -0.156 1 1 362 . 19 1 1 A 36 36 THR N N 36 112.446 107.296 5.150 1 1 363 . 19 1 1 A 36 36 THR H H 36 7.752 7.655 0.097 1 1 364 . 19 1 1 A 36 36 THR CA C 36 62.671 60.905 1.766 1 1 365 . 19 1 1 A 36 36 THR HA H 36 4.329 4.415 -0.086 1 1 366 . 19 1 1 A 36 36 THR CB C 36 69.763 68.492 1.271 1 1 372 . 19 1 1 A 36 36 THR C C 36 175.346 174.880 0.466 1 1 373 . 19 1 1 A 37 37 GLY N N 37 110.884 110.959 -0.075 1 1 374 . 19 1 1 A 37 37 GLY H H 37 8.312 8.416 -0.104 1 1 375 . 19 1 1 A 37 37 GLY CA C 37 45.315 44.442 0.873 1 1 376 . 19 1 1 A 37 37 GLY HA2 H 37 3.987 4.007 -0.020 1 1 377 . 19 1 1 A 37 37 GLY HA3 H 37 3.987 4.011 -0.024 1 1 378 . 19 1 1 A 37 37 GLY C C 37 174.024 173.435 0.589 1 1 379 . 19 1 1 A 38 38 GLU N N 38 120.586 121.340 -0.754 1 1 380 . 19 1 1 A 38 38 GLU H H 38 8.084 8.467 -0.383 1 1 381 . 19 1 1 A 38 38 GLU CA C 38 56.427 55.904 0.523 1 1 382 . 19 1 1 A 38 38 GLU HA H 38 4.248 4.452 -0.204 1 1 383 . 19 1 1 A 38 38 GLU CB C 38 30.573 28.122 2.451 1 1 389 . 19 1 1 A 38 38 GLU C C 38 176.226 174.852 1.374 1 1 390 . 19 1 1 A 39 39 LYS N N 39 123.823 123.563 0.260 1 1 391 . 19 1 1 A 39 39 LYS H H 39 8.425 7.915 0.510 1 1 392 . 19 1 1 A 39 39 LYS CA C 39 54.118 52.804 1.314 1 1 393 . 19 1 1 A 39 39 LYS HA H 39 4.604 4.777 -0.173 1 1 394 . 19 1 1 A 39 39 LYS CB C 39 32.536 34.233 -1.697 1 1 406 . 19 1 1 A 39 39 LYS C C 39 174.461 173.838 0.623 1 1 407 . 19 1 1 A 40 40 PRO CA C 40 63.231 62.529 0.702 1 1 408 . 19 1 1 A 40 40 PRO HA H 40 4.460 4.591 -0.131 1 1 409 . 19 1 1 A 40 40 PRO CB C 40 32.200 33.489 -1.289 1 1 418 . 19 1 1 A 40 40 PRO C C 40 176.951 176.835 0.116 1 1 419 . 19 1 1 A 41 41 SER N N 41 116.497 116.214 0.283 1 1 420 . 19 1 1 A 41 41 SER H H 41 8.475 8.727 -0.252 1 1 421 . 19 1 1 A 41 41 SER CA C 41 58.375 61.463 -3.088 1 1 422 . 19 1 1 A 41 41 SER HA H 41 4.491 4.249 0.242 1 1 423 . 19 1 1 A 41 41 SER CB C 41 63.953 63.506 0.447 1 1 425 . 19 1 1 A 41 41 SER C C 41 174.588 175.472 -0.884 1 1 426 . 19 1 1 A 42 42 GLY CA C 42 44.665 44.743 -0.078 1 1 427 . 19 1 1 A 42 42 GLY HA2 H 42 4.111 4.062 0.049 1 1 428 . 19 1 1 A 42 42 GLY HA3 H 42 4.153 4.062 0.091 1 1 429 . 19 1 1 A 43 43 PRO CA C 43 63.238 64.561 -1.323 1 1 430 . 19 1 1 A 43 43 PRO HA H 43 4.467 4.447 0.020 1 1 431 . 19 1 1 A 43 43 PRO CB C 43 32.174 32.017 0.157 1 1 440 . 19 1 1 A 45 45 SER CA C 45 58.360 58.716 -0.356 1 1 441 . 19 1 1 A 45 45 SER HA H 45 4.482 4.604 -0.122 1 1 442 . 19 1 1 A 45 45 SER CB C 45 64.038 64.269 -0.231 1 1 445 . 19 1 1 A 45 45 SER C C 45 173.890 174.504 -0.614 1 1 1 . 20 1 1 A 7 7 GLY CA C 7 45.428 46.052 -0.624 1 1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.031 4.120 -0.089 1 1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.031 4.121 -0.090 1 1 4 . 20 1 1 A 7 7 GLY C C 7 174.504 173.987 0.517 1 1 5 . 20 1 1 A 8 8 THR N N 8 112.847 117.555 -4.708 1 1 6 . 20 1 1 A 8 8 THR H H 8 8.154 8.204 -0.050 1 1 7 . 20 1 1 A 8 8 THR CA C 8 61.882 62.076 -0.194 1 1 8 . 20 1 1 A 8 8 THR HA H 8 4.361 4.434 -0.073 1 1 9 . 20 1 1 A 8 8 THR CB C 8 69.841 68.445 1.396 1 1 15 . 20 1 1 A 8 8 THR C C 8 175.257 173.848 1.409 1 1 16 . 20 1 1 A 9 9 GLY N N 9 110.940 110.217 0.723 1 1 17 . 20 1 1 A 9 9 GLY H H 9 8.452 7.666 0.786 1 1 18 . 20 1 1 A 9 9 GLY CA C 9 45.278 44.709 0.569 1 1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.920 4.255 -0.335 1 1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.920 4.262 -0.342 1 1 21 . 20 1 1 A 9 9 GLY C C 9 174.062 171.761 2.301 1 1 22 . 20 1 1 A 10 10 GLU N N 10 120.294 124.816 -4.522 1 1 23 . 20 1 1 A 10 10 GLU H H 10 8.237 9.053 -0.816 1 1 24 . 20 1 1 A 10 10 GLU CA C 10 56.821 55.145 1.676 1 1 25 . 20 1 1 A 10 10 GLU HA H 10 4.205 5.121 -0.916 1 1 26 . 20 1 1 A 10 10 GLU CB C 10 30.426 33.075 -2.649 1 1 32 . 20 1 1 A 10 10 GLU C C 10 176.322 174.960 1.362 1 1 33 . 20 1 1 A 11 11 ARG N N 11 121.374 126.099 -4.725 1 1 34 . 20 1 1 A 11 11 ARG H H 11 8.295 8.692 -0.397 1 1 35 . 20 1 1 A 11 11 ARG CA C 11 53.547 52.855 0.692 1 1 36 . 20 1 1 A 11 11 ARG HA H 11 4.539 4.824 -0.285 1 1 37 . 20 1 1 A 11 11 ARG CB C 11 30.672 31.531 -0.859 1 1 45 . 20 1 1 A 11 11 ARG C C 11 173.550 176.008 -2.458 1 1 46 . 20 1 1 A 12 12 PRO CA C 12 63.252 64.840 -1.588 1 1 47 . 20 1 1 A 12 12 PRO HA H 12 4.335 4.268 0.067 1 1 48 . 20 1 1 A 12 12 PRO CB C 12 32.315 31.574 0.741 1 1 57 . 20 1 1 A 12 12 PRO C C 12 176.312 175.872 0.440 1 1 58 . 20 1 1 A 13 13 TYR N N 13 119.535 118.249 1.286 1 1 59 . 20 1 1 A 13 13 TYR H H 13 8.022 7.338 0.684 1 1 60 . 20 1 1 A 13 13 TYR CA C 13 57.666 57.754 -0.088 1 1 61 . 20 1 1 A 13 13 TYR HA H 13 4.597 4.915 -0.318 1 1 62 . 20 1 1 A 13 13 TYR CB C 13 38.476 40.736 -2.260 1 1 73 . 20 1 1 A 13 13 TYR C C 13 174.475 175.544 -1.069 1 1 74 . 20 1 1 A 14 14 ILE N N 14 124.578 120.865 3.713 1 1 75 . 20 1 1 A 14 14 ILE H H 14 8.338 8.756 -0.418 1 1 76 . 20 1 1 A 14 14 ILE CA C 14 59.714 60.255 -0.541 1 1 77 . 20 1 1 A 14 14 ILE HA H 14 4.675 5.017 -0.342 1 1 78 . 20 1 1 A 14 14 ILE CB C 14 40.638 41.941 -1.303 1 1 91 . 20 1 1 A 14 14 ILE C C 14 175.750 174.765 0.985 1 1 92 . 20 1 1 A 15 15 CYS N N 15 128.935 126.547 2.388 1 1 93 . 20 1 1 A 15 15 CYS H H 15 9.278 8.908 0.370 1 1 94 . 20 1 1 A 15 15 CYS CA C 15 59.752 59.929 -0.177 1 1 95 . 20 1 1 A 15 15 CYS HA H 15 4.624 4.682 -0.058 1 1 96 . 20 1 1 A 15 15 CYS CB C 15 29.428 28.661 0.767 1 1 99 . 20 1 1 A 15 15 CYS C C 15 177.330 176.425 0.905 1 1 100 . 20 1 1 A 16 16 THR N N 16 124.216 119.002 5.214 1 1 101 . 20 1 1 A 16 16 THR H H 16 8.902 8.622 0.280 1 1 102 . 20 1 1 A 16 16 THR CA C 16 64.298 62.882 1.416 1 1 103 . 20 1 1 A 16 16 THR HA H 16 4.130 4.375 -0.245 1 1 104 . 20 1 1 A 16 16 THR CB C 16 68.664 69.813 -1.149 1 1 110 . 20 1 1 A 16 16 THR C C 16 174.750 176.132 -1.382 1 1 111 . 20 1 1 A 17 17 VAL N N 17 123.592 121.787 1.805 1 1 112 . 20 1 1 A 17 17 VAL H H 17 8.618 7.402 1.216 1 1 113 . 20 1 1 A 17 17 VAL CA C 17 65.222 66.339 -1.117 1 1 114 . 20 1 1 A 17 17 VAL HA H 17 3.795 3.451 0.344 1 1 115 . 20 1 1 A 17 17 VAL CB C 17 32.714 31.376 1.338 1 1 125 . 20 1 1 A 17 17 VAL C C 17 177.090 176.949 0.141 1 1 126 . 20 1 1 A 18 18 CYS N N 18 115.099 114.730 0.369 1 1 127 . 20 1 1 A 18 18 CYS H H 18 7.957 7.444 0.513 1 1 128 . 20 1 1 A 18 18 CYS CA C 18 58.176 59.370 -1.194 1 1 129 . 20 1 1 A 18 18 CYS HA H 18 5.159 4.644 0.515 1 1 130 . 20 1 1 A 18 18 CYS CB C 18 32.806 29.997 2.809 1 1 133 . 20 1 1 A 18 18 CYS C C 18 176.462 175.511 0.951 1 1 134 . 20 1 1 A 19 19 GLY N N 19 113.815 110.157 3.658 1 1 135 . 20 1 1 A 19 19 GLY H H 19 8.183 8.305 -0.122 1 1 136 . 20 1 1 A 19 19 GLY CA C 19 46.160 46.178 -0.018 1 1 137 . 20 1 1 A 19 19 GLY HA2 H 19 4.209 4.032 0.177 1 1 138 . 20 1 1 A 19 19 GLY HA3 H 19 3.748 4.048 -0.300 1 1 139 . 20 1 1 A 19 19 GLY C C 19 173.546 174.111 -0.565 1 1 140 . 20 1 1 A 20 20 LYS N N 20 123.111 118.915 4.196 1 1 141 . 20 1 1 A 20 20 LYS H H 20 7.986 7.823 0.163 1 1 142 . 20 1 1 A 20 20 LYS CA C 20 58.320 54.326 3.994 1 1 143 . 20 1 1 A 20 20 LYS HA H 20 3.936 4.861 -0.925 1 1 144 . 20 1 1 A 20 20 LYS CB C 20 33.685 35.832 -2.147 1 1 156 . 20 1 1 A 20 20 LYS C C 20 173.419 174.652 -1.233 1 1 157 . 20 1 1 A 21 21 ALA N N 21 124.165 120.448 3.717 1 1 158 . 20 1 1 A 21 21 ALA H H 21 7.779 8.163 -0.384 1 1 159 . 20 1 1 A 21 21 ALA CA C 21 50.486 50.646 -0.160 1 1 160 . 20 1 1 A 21 21 ALA HA H 21 5.105 5.179 -0.074 1 1 161 . 20 1 1 A 21 21 ALA CB C 21 22.458 22.777 -0.319 1 1 165 . 20 1 1 A 21 21 ALA C C 21 176.756 174.829 1.927 1 1 166 . 20 1 1 A 22 22 PHE N N 22 118.244 117.600 0.644 1 1 167 . 20 1 1 A 22 22 PHE H H 22 8.986 8.695 0.291 1 1 168 . 20 1 1 A 22 22 PHE CA C 22 57.418 56.753 0.665 1 1 169 . 20 1 1 A 22 22 PHE HA H 22 4.717 4.894 -0.177 1 1 170 . 20 1 1 A 22 22 PHE CB C 22 43.231 42.853 0.378 1 1 183 . 20 1 1 A 22 22 PHE C C 22 175.604 175.870 -0.266 1 1 184 . 20 1 1 A 23 23 THR N N 23 112.986 118.618 -5.632 1 1 185 . 20 1 1 A 23 23 THR H H 23 8.941 8.573 0.368 1 1 186 . 20 1 1 A 23 23 THR CA C 23 63.847 65.435 -1.588 1 1 187 . 20 1 1 A 23 23 THR HA H 23 4.470 4.247 0.223 1 1 188 . 20 1 1 A 23 23 THR CB C 23 69.556 69.580 -0.024 1 1 194 . 20 1 1 A 23 23 THR C C 23 174.032 173.704 0.328 1 1 195 . 20 1 1 A 24 24 ASP N N 24 118.330 120.485 -2.155 1 1 196 . 20 1 1 A 24 24 ASP H H 24 7.637 8.051 -0.414 1 1 197 . 20 1 1 A 24 24 ASP CA C 24 52.811 53.498 -0.687 1 1 198 . 20 1 1 A 24 24 ASP HA H 24 4.808 4.867 -0.059 1 1 199 . 20 1 1 A 24 24 ASP CB C 24 43.632 42.484 1.148 1 1 202 . 20 1 1 A 24 24 ASP C C 24 175.092 176.042 -0.950 1 1 203 . 20 1 1 A 25 25 ARG N N 25 124.562 126.875 -2.313 1 1 204 . 20 1 1 A 25 25 ARG H H 25 8.384 8.634 -0.250 1 1 205 . 20 1 1 A 25 25 ARG CA C 25 59.227 59.144 0.083 1 1 206 . 20 1 1 A 25 25 ARG HA H 25 3.139 3.108 0.031 1 1 207 . 20 1 1 A 25 25 ARG CB C 25 29.797 29.385 0.412 1 1 216 . 20 1 1 A 25 25 ARG C C 25 177.768 177.710 0.058 1 1 217 . 20 1 1 A 26 26 SER N N 26 114.310 116.490 -2.180 1 1 218 . 20 1 1 A 26 26 SER H H 26 8.404 7.921 0.483 1 1 219 . 20 1 1 A 26 26 SER CA C 26 61.865 61.885 -0.020 1 1 220 . 20 1 1 A 26 26 SER HA H 26 3.981 4.025 -0.044 1 1 221 . 20 1 1 A 26 26 SER CB C 26 62.116 62.769 -0.653 1 1 224 . 20 1 1 A 26 26 SER C C 26 177.339 176.806 0.533 1 1 225 . 20 1 1 A 27 27 ASN N N 27 120.170 120.516 -0.346 1 1 226 . 20 1 1 A 27 27 ASN H H 27 8.024 7.871 0.153 1 1 227 . 20 1 1 A 27 27 ASN CA C 27 55.713 56.349 -0.636 1 1 228 . 20 1 1 A 27 27 ASN HA H 27 4.426 4.436 -0.010 1 1 229 . 20 1 1 A 27 27 ASN CB C 27 38.343 38.331 0.012 1 1 235 . 20 1 1 A 27 27 ASN C C 27 177.564 177.761 -0.197 1 1 236 . 20 1 1 A 28 28 LEU N N 28 123.285 119.470 3.815 1 1 237 . 20 1 1 A 28 28 LEU H H 28 7.047 7.486 -0.439 1 1 238 . 20 1 1 A 28 28 LEU CA C 28 58.259 57.018 1.241 1 1 239 . 20 1 1 A 28 28 LEU HA H 28 3.147 3.096 0.051 1 1 240 . 20 1 1 A 28 28 LEU CB C 28 40.313 41.761 -1.448 1 1 253 . 20 1 1 A 28 28 LEU C C 28 177.394 178.525 -1.131 1 1 254 . 20 1 1 A 29 29 ILE N N 29 119.714 120.129 -0.415 1 1 255 . 20 1 1 A 29 29 ILE H H 29 8.148 7.987 0.161 1 1 256 . 20 1 1 A 29 29 ILE CA C 29 64.564 65.140 -0.576 1 1 257 . 20 1 1 A 29 29 ILE HA H 29 3.692 3.480 0.212 1 1 258 . 20 1 1 A 29 29 ILE CB C 29 37.503 37.279 0.224 1 1 271 . 20 1 1 A 29 29 ILE C C 29 179.034 178.374 0.660 1 1 272 . 20 1 1 A 30 30 LYS N N 30 118.869 120.731 -1.862 1 1 273 . 20 1 1 A 30 30 LYS H H 30 7.539 8.393 -0.854 1 1 274 . 20 1 1 A 30 30 LYS CA C 30 59.707 58.802 0.905 1 1 275 . 20 1 1 A 30 30 LYS HA H 30 3.917 4.028 -0.111 1 1 276 . 20 1 1 A 30 30 LYS CB C 30 32.807 31.938 0.869 1 1 288 . 20 1 1 A 30 30 LYS C C 30 179.031 178.587 0.444 1 1 289 . 20 1 1 A 31 31 HIS N N 31 118.737 119.429 -0.692 1 1 290 . 20 1 1 A 31 31 HIS H H 31 7.554 7.642 -0.088 1 1 291 . 20 1 1 A 31 31 HIS CA C 31 59.020 59.252 -0.232 1 1 292 . 20 1 1 A 31 31 HIS HA H 31 4.175 4.165 0.010 1 1 293 . 20 1 1 A 31 31 HIS CB C 31 28.480 29.640 -1.160 1 1 300 . 20 1 1 A 31 31 HIS C C 31 176.197 177.563 -1.366 1 1 301 . 20 1 1 A 32 32 GLN N N 32 115.420 118.291 -2.871 1 1 302 . 20 1 1 A 32 32 GLN H H 32 8.379 8.164 0.215 1 1 303 . 20 1 1 A 32 32 GLN CA C 32 59.377 58.617 0.760 1 1 304 . 20 1 1 A 32 32 GLN HA H 32 3.642 3.812 -0.170 1 1 305 . 20 1 1 A 32 32 GLN CB C 32 28.253 28.500 -0.247 1 1 314 . 20 1 1 A 32 32 GLN C C 32 177.510 178.101 -0.591 1 1 315 . 20 1 1 A 33 33 LYS N N 33 117.483 118.824 -1.341 1 1 316 . 20 1 1 A 33 33 LYS H H 33 7.088 7.694 -0.606 1 1 317 . 20 1 1 A 33 33 LYS CA C 33 58.393 58.294 0.099 1 1 318 . 20 1 1 A 33 33 LYS HA H 33 4.094 3.968 0.126 1 1 319 . 20 1 1 A 33 33 LYS CB C 33 32.312 31.803 0.509 1 1 331 . 20 1 1 A 33 33 LYS C C 33 178.685 179.339 -0.654 1 1 332 . 20 1 1 A 34 34 ILE N N 34 116.168 115.884 0.284 1 1 333 . 20 1 1 A 34 34 ILE H H 34 7.815 7.502 0.313 1 1 334 . 20 1 1 A 34 34 ILE CA C 34 63.019 63.870 -0.851 1 1 335 . 20 1 1 A 34 34 ILE HA H 34 3.979 3.771 0.208 1 1 336 . 20 1 1 A 34 34 ILE CB C 34 37.697 36.887 0.810 1 1 349 . 20 1 1 A 34 34 ILE C C 34 177.346 176.684 0.662 1 1 350 . 20 1 1 A 35 35 HIS N N 35 117.330 119.722 -2.392 1 1 351 . 20 1 1 A 35 35 HIS H H 35 7.193 7.180 0.013 1 1 352 . 20 1 1 A 35 35 HIS CA C 35 54.932 57.801 -2.869 1 1 353 . 20 1 1 A 35 35 HIS HA H 35 4.916 4.516 0.400 1 1 354 . 20 1 1 A 35 35 HIS CB C 35 28.387 30.338 -1.951 1 1 361 . 20 1 1 A 35 35 HIS C C 35 175.585 175.816 -0.231 1 1 362 . 20 1 1 A 36 36 THR N N 36 112.446 106.855 5.591 1 1 363 . 20 1 1 A 36 36 THR H H 36 7.752 7.362 0.390 1 1 364 . 20 1 1 A 36 36 THR CA C 36 62.671 61.286 1.385 1 1 365 . 20 1 1 A 36 36 THR HA H 36 4.329 4.409 -0.080 1 1 366 . 20 1 1 A 36 36 THR CB C 36 69.763 68.643 1.120 1 1 372 . 20 1 1 A 36 36 THR C C 36 175.346 174.825 0.521 1 1 373 . 20 1 1 A 37 37 GLY N N 37 110.884 110.756 0.128 1 1 374 . 20 1 1 A 37 37 GLY H H 37 8.312 8.150 0.162 1 1 375 . 20 1 1 A 37 37 GLY CA C 37 45.315 45.644 -0.329 1 1 376 . 20 1 1 A 37 37 GLY HA2 H 37 3.987 3.952 0.035 1 1 377 . 20 1 1 A 37 37 GLY HA3 H 37 3.987 3.962 0.025 1 1 378 . 20 1 1 A 37 37 GLY C C 37 174.024 172.795 1.229 1 1 379 . 20 1 1 A 38 38 GLU N N 38 120.586 122.768 -2.182 1 1 380 . 20 1 1 A 38 38 GLU H H 38 8.084 8.507 -0.423 1 1 381 . 20 1 1 A 38 38 GLU CA C 38 56.427 55.518 0.909 1 1 382 . 20 1 1 A 38 38 GLU HA H 38 4.248 4.629 -0.381 1 1 383 . 20 1 1 A 38 38 GLU CB C 38 30.573 31.318 -0.745 1 1 389 . 20 1 1 A 38 38 GLU C C 38 176.226 174.869 1.357 1 1 390 . 20 1 1 A 39 39 LYS N N 39 123.823 126.176 -2.353 1 1 391 . 20 1 1 A 39 39 LYS H H 39 8.425 8.700 -0.275 1 1 392 . 20 1 1 A 39 39 LYS CA C 39 54.118 53.909 0.209 1 1 393 . 20 1 1 A 39 39 LYS HA H 39 4.604 4.629 -0.025 1 1 394 . 20 1 1 A 39 39 LYS CB C 39 32.536 34.177 -1.641 1 1 406 . 20 1 1 A 39 39 LYS C C 39 174.461 175.896 -1.435 1 1 407 . 20 1 1 A 40 40 PRO CA C 40 63.231 63.635 -0.404 1 1 408 . 20 1 1 A 40 40 PRO HA H 40 4.460 4.502 -0.042 1 1 409 . 20 1 1 A 40 40 PRO CB C 40 32.200 32.022 0.178 1 1 418 . 20 1 1 A 40 40 PRO C C 40 176.951 176.388 0.563 1 1 419 . 20 1 1 A 41 41 SER N N 41 116.497 115.792 0.705 1 1 420 . 20 1 1 A 41 41 SER H H 41 8.475 7.710 0.765 1 1 421 . 20 1 1 A 41 41 SER CA C 41 58.375 59.532 -1.157 1 1 422 . 20 1 1 A 41 41 SER HA H 41 4.491 4.336 0.155 1 1 423 . 20 1 1 A 41 41 SER CB C 41 63.953 64.091 -0.138 1 1 425 . 20 1 1 A 41 41 SER C C 41 174.588 175.511 -0.923 1 1 426 . 20 1 1 A 42 42 GLY CA C 42 44.665 46.203 -1.538 1 1 427 . 20 1 1 A 42 42 GLY HA2 H 42 4.111 4.070 0.041 1 1 428 . 20 1 1 A 42 42 GLY HA3 H 42 4.153 4.070 0.083 1 1 429 . 20 1 1 A 43 43 PRO CA C 43 63.238 62.429 0.809 1 1 430 . 20 1 1 A 43 43 PRO HA H 43 4.467 4.666 -0.199 1 1 431 . 20 1 1 A 43 43 PRO CB C 43 32.174 29.729 2.445 1 1 440 . 20 1 1 A 45 45 SER CA C 45 58.360 56.843 1.517 1 1 441 . 20 1 1 A 45 45 SER HA H 45 4.482 5.103 -0.621 1 1 442 . 20 1 1 A 45 45 SER CB C 45 64.038 64.277 -0.239 1 1 445 . 20 1 1 A 45 45 SER C C 45 173.890 174.401 -0.511 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 36 0.934 1 2 1 1 1 "RMS(OBS, PRED)" CA 38 1.270 1 3 1 1 1 "RMS(OBS, PRED)" CB 33 1.057 1 4 1 1 1 "RMS(OBS, PRED)" H 32 0.402 1 5 1 1 1 "RMS(OBS, PRED)" HA 43 0.284 1 6 1 1 1 "RMS(OBS, PRED)" N 32 2.479 1 7 1 2 1 "RMS(OBS, PRED)" C 36 1.034 1 8 1 2 1 "RMS(OBS, PRED)" CA 38 1.117 1 9 1 2 1 "RMS(OBS, PRED)" CB 33 1.206 1 10 1 2 1 "RMS(OBS, PRED)" H 32 0.445 1 11 1 2 1 "RMS(OBS, PRED)" HA 43 0.264 1 12 1 2 1 "RMS(OBS, PRED)" N 32 2.219 1 13 1 3 1 "RMS(OBS, PRED)" C 36 1.025 1 14 1 3 1 "RMS(OBS, PRED)" CA 38 1.381 1 15 1 3 1 "RMS(OBS, PRED)" CB 33 1.219 1 16 1 3 1 "RMS(OBS, PRED)" H 32 0.451 1 17 1 3 1 "RMS(OBS, PRED)" HA 43 0.317 1 18 1 3 1 "RMS(OBS, PRED)" N 32 2.522 1 19 1 4 1 "RMS(OBS, PRED)" C 36 0.909 1 20 1 4 1 "RMS(OBS, PRED)" CA 38 1.328 1 21 1 4 1 "RMS(OBS, PRED)" CB 33 1.166 1 22 1 4 1 "RMS(OBS, PRED)" H 32 0.363 1 23 1 4 1 "RMS(OBS, PRED)" HA 43 0.314 1 24 1 4 1 "RMS(OBS, PRED)" N 32 2.419 1 25 1 5 1 "RMS(OBS, PRED)" C 36 1.143 1 26 1 5 1 "RMS(OBS, PRED)" CA 38 1.610 1 27 1 5 1 "RMS(OBS, PRED)" CB 33 1.426 1 28 1 5 1 "RMS(OBS, PRED)" H 32 0.476 1 29 1 5 1 "RMS(OBS, PRED)" HA 43 0.332 1 30 1 5 1 "RMS(OBS, PRED)" N 32 2.961 1 31 1 6 1 "RMS(OBS, PRED)" C 36 1.121 1 32 1 6 1 "RMS(OBS, PRED)" CA 38 1.099 1 33 1 6 1 "RMS(OBS, PRED)" CB 33 1.347 1 34 1 6 1 "RMS(OBS, PRED)" H 32 0.503 1 35 1 6 1 "RMS(OBS, PRED)" HA 43 0.307 1 36 1 6 1 "RMS(OBS, PRED)" N 32 2.614 1 37 1 7 1 "RMS(OBS, PRED)" C 36 1.113 1 38 1 7 1 "RMS(OBS, PRED)" CA 38 1.459 1 39 1 7 1 "RMS(OBS, PRED)" CB 33 1.226 1 40 1 7 1 "RMS(OBS, PRED)" H 32 0.431 1 41 1 7 1 "RMS(OBS, PRED)" HA 43 0.328 1 42 1 7 1 "RMS(OBS, PRED)" N 32 2.170 1 43 1 8 1 "RMS(OBS, PRED)" C 36 1.055 1 44 1 8 1 "RMS(OBS, PRED)" CA 38 1.247 1 45 1 8 1 "RMS(OBS, PRED)" CB 33 1.208 1 46 1 8 1 "RMS(OBS, PRED)" H 32 0.520 1 47 1 8 1 "RMS(OBS, PRED)" HA 43 0.268 1 48 1 8 1 "RMS(OBS, PRED)" N 32 3.006 1 49 1 9 1 "RMS(OBS, PRED)" C 36 1.190 1 50 1 9 1 "RMS(OBS, PRED)" CA 38 1.220 1 51 1 9 1 "RMS(OBS, PRED)" CB 33 1.101 1 52 1 9 1 "RMS(OBS, PRED)" H 32 0.452 1 53 1 9 1 "RMS(OBS, PRED)" HA 43 0.292 1 54 1 9 1 "RMS(OBS, PRED)" N 32 2.432 1 55 1 10 1 "RMS(OBS, PRED)" C 36 1.133 1 56 1 10 1 "RMS(OBS, PRED)" CA 38 1.324 1 57 1 10 1 "RMS(OBS, PRED)" CB 33 1.095 1 58 1 10 1 "RMS(OBS, PRED)" H 32 0.456 1 59 1 10 1 "RMS(OBS, PRED)" HA 43 0.282 1 60 1 10 1 "RMS(OBS, PRED)" N 32 2.266 1 61 1 11 1 "RMS(OBS, PRED)" C 36 0.987 1 62 1 11 1 "RMS(OBS, PRED)" CA 38 1.391 1 63 1 11 1 "RMS(OBS, PRED)" CB 33 1.205 1 64 1 11 1 "RMS(OBS, PRED)" H 32 0.409 1 65 1 11 1 "RMS(OBS, PRED)" HA 43 0.286 1 66 1 11 1 "RMS(OBS, PRED)" N 32 2.363 1 67 1 12 1 "RMS(OBS, PRED)" C 36 0.929 1 68 1 12 1 "RMS(OBS, PRED)" CA 38 1.185 1 69 1 12 1 "RMS(OBS, PRED)" CB 33 1.104 1 70 1 12 1 "RMS(OBS, PRED)" H 32 0.362 1 71 1 12 1 "RMS(OBS, PRED)" HA 43 0.271 1 72 1 12 1 "RMS(OBS, PRED)" N 32 1.841 1 73 1 13 1 "RMS(OBS, PRED)" C 36 1.076 1 74 1 13 1 "RMS(OBS, PRED)" CA 38 1.370 1 75 1 13 1 "RMS(OBS, PRED)" CB 33 1.254 1 76 1 13 1 "RMS(OBS, PRED)" H 32 0.434 1 77 1 13 1 "RMS(OBS, PRED)" HA 43 0.298 1 78 1 13 1 "RMS(OBS, PRED)" N 32 2.899 1 79 1 14 1 "RMS(OBS, PRED)" C 36 0.939 1 80 1 14 1 "RMS(OBS, PRED)" CA 38 1.470 1 81 1 14 1 "RMS(OBS, PRED)" CB 33 1.349 1 82 1 14 1 "RMS(OBS, PRED)" H 32 0.478 1 83 1 14 1 "RMS(OBS, PRED)" HA 43 0.306 1 84 1 14 1 "RMS(OBS, PRED)" N 32 2.633 1 85 1 15 1 "RMS(OBS, PRED)" C 36 1.051 1 86 1 15 1 "RMS(OBS, PRED)" CA 38 1.347 1 87 1 15 1 "RMS(OBS, PRED)" CB 33 1.067 1 88 1 15 1 "RMS(OBS, PRED)" H 32 0.532 1 89 1 15 1 "RMS(OBS, PRED)" HA 43 0.252 1 90 1 15 1 "RMS(OBS, PRED)" N 32 2.570 1 91 1 16 1 "RMS(OBS, PRED)" C 36 0.995 1 92 1 16 1 "RMS(OBS, PRED)" CA 38 1.225 1 93 1 16 1 "RMS(OBS, PRED)" CB 33 1.205 1 94 1 16 1 "RMS(OBS, PRED)" H 32 0.467 1 95 1 16 1 "RMS(OBS, PRED)" HA 43 0.287 1 96 1 16 1 "RMS(OBS, PRED)" N 32 2.397 1 97 1 17 1 "RMS(OBS, PRED)" C 36 1.041 1 98 1 17 1 "RMS(OBS, PRED)" CA 38 1.188 1 99 1 17 1 "RMS(OBS, PRED)" CB 33 1.388 1 100 1 17 1 "RMS(OBS, PRED)" H 32 0.440 1 101 1 17 1 "RMS(OBS, PRED)" HA 43 0.290 1 102 1 17 1 "RMS(OBS, PRED)" N 32 2.226 1 103 1 18 1 "RMS(OBS, PRED)" C 36 1.064 1 104 1 18 1 "RMS(OBS, PRED)" CA 38 0.983 1 105 1 18 1 "RMS(OBS, PRED)" CB 33 1.122 1 106 1 18 1 "RMS(OBS, PRED)" H 32 0.517 1 107 1 18 1 "RMS(OBS, PRED)" HA 43 0.248 1 108 1 18 1 "RMS(OBS, PRED)" N 32 2.200 1 109 1 19 1 "RMS(OBS, PRED)" C 36 1.133 1 110 1 19 1 "RMS(OBS, PRED)" CA 38 1.225 1 111 1 19 1 "RMS(OBS, PRED)" CB 33 1.234 1 112 1 19 1 "RMS(OBS, PRED)" H 32 0.444 1 113 1 19 1 "RMS(OBS, PRED)" HA 43 0.241 1 114 1 19 1 "RMS(OBS, PRED)" N 32 2.624 1 115 1 20 1 "RMS(OBS, PRED)" C 36 1.076 1 116 1 20 1 "RMS(OBS, PRED)" CA 38 1.201 1 117 1 20 1 "RMS(OBS, PRED)" CB 33 1.311 1 118 1 20 1 "RMS(OBS, PRED)" H 32 0.489 1 119 1 20 1 "RMS(OBS, PRED)" HA 43 0.301 1 120 1 20 1 "RMS(OBS, PRED)" N 32 3.035 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 7 7 GLY CA C 7 45.428 45.786 -0.358 2 1 2 . 1 1 A 7 7 GLY HA2 H 7 4.031 4.048 -0.017 2 1 3 . 1 1 A 7 7 GLY HA3 H 7 4.031 4.050 -0.019 2 1 4 . 1 1 A 7 7 GLY C C 7 174.504 173.662 0.842 2 1 5 . 1 1 A 8 8 THR N N 8 112.847 116.277 -3.430 2 1 6 . 1 1 A 8 8 THR H H 8 8.154 8.312 -0.158 2 1 7 . 1 1 A 8 8 THR CA C 8 61.882 62.481 -0.599 2 1 8 . 1 1 A 8 8 THR HA H 8 4.361 4.451 -0.090 2 1 9 . 1 1 A 8 8 THR CB C 8 69.841 69.741 0.100 2 1 15 . 1 1 A 8 8 THR C C 8 175.257 174.278 0.979 2 1 16 . 1 1 A 9 9 GLY N N 9 110.940 110.836 0.104 2 1 17 . 1 1 A 9 9 GLY H H 9 8.452 8.266 0.186 2 1 18 . 1 1 A 9 9 GLY CA C 9 45.278 45.043 0.235 2 1 19 . 1 1 A 9 9 GLY HA2 H 9 3.920 4.103 -0.183 2 1 20 . 1 1 A 9 9 GLY HA3 H 9 3.920 4.106 -0.186 2 1 21 . 1 1 A 9 9 GLY C C 9 174.062 173.164 0.898 2 1 22 . 1 1 A 10 10 GLU N N 10 120.294 121.205 -0.911 2 1 23 . 1 1 A 10 10 GLU H H 10 8.237 8.636 -0.399 2 1 24 . 1 1 A 10 10 GLU CA C 10 56.821 55.771 1.050 2 1 25 . 1 1 A 10 10 GLU HA H 10 4.205 4.696 -0.491 2 1 26 . 1 1 A 10 10 GLU CB C 10 30.426 31.311 -0.885 2 1 32 . 1 1 A 10 10 GLU C C 10 176.322 175.620 0.702 2 1 33 . 1 1 A 11 11 ARG N N 11 121.374 122.104 -0.730 2 1 34 . 1 1 A 11 11 ARG H H 11 8.295 8.203 0.092 2 1 35 . 1 1 A 11 11 ARG CA C 11 53.547 53.387 0.160 2 1 36 . 1 1 A 11 11 ARG HA H 11 4.539 4.690 -0.151 2 1 37 . 1 1 A 11 11 ARG CB C 11 30.672 31.144 -0.472 2 1 45 . 1 1 A 11 11 ARG C C 11 173.550 175.929 -2.379 2 1 46 . 1 1 A 12 12 PRO CA C 12 63.252 64.814 -1.562 2 1 47 . 1 1 A 12 12 PRO HA H 12 4.335 4.267 0.068 2 1 48 . 1 1 A 12 12 PRO CB C 12 32.315 31.576 0.739 2 1 57 . 1 1 A 12 12 PRO C C 12 176.312 175.851 0.461 2 1 58 . 1 1 A 13 13 TYR N N 13 119.535 117.926 1.609 2 1 59 . 1 1 A 13 13 TYR H H 13 8.022 7.552 0.470 2 1 60 . 1 1 A 13 13 TYR CA C 13 57.666 57.544 0.122 2 1 61 . 1 1 A 13 13 TYR HA H 13 4.597 5.001 -0.404 2 1 62 . 1 1 A 13 13 TYR CB C 13 38.476 40.424 -1.948 2 1 73 . 1 1 A 13 13 TYR C C 13 174.475 175.556 -1.081 2 1 74 . 1 1 A 14 14 ILE N N 14 124.578 122.379 2.199 2 1 75 . 1 1 A 14 14 ILE H H 14 8.338 8.822 -0.484 2 1 76 . 1 1 A 14 14 ILE CA C 14 59.714 60.247 -0.533 2 1 77 . 1 1 A 14 14 ILE HA H 14 4.675 4.973 -0.298 2 1 78 . 1 1 A 14 14 ILE CB C 14 40.638 41.585 -0.947 2 1 91 . 1 1 A 14 14 ILE C C 14 175.750 175.091 0.659 2 1 92 . 1 1 A 15 15 CYS N N 15 128.935 126.928 2.007 2 1 93 . 1 1 A 15 15 CYS H H 15 9.278 9.278 -0.000 2 1 94 . 1 1 A 15 15 CYS CA C 15 59.752 59.763 -0.011 2 1 95 . 1 1 A 15 15 CYS HA H 15 4.624 4.599 0.025 2 1 96 . 1 1 A 15 15 CYS CB C 15 29.428 28.744 0.684 2 1 99 . 1 1 A 15 15 CYS C C 15 177.330 176.080 1.250 2 1 100 . 1 1 A 16 16 THR N N 16 124.216 120.648 3.568 2 1 101 . 1 1 A 16 16 THR H H 16 8.902 8.798 0.104 2 1 102 . 1 1 A 16 16 THR CA C 16 64.298 62.784 1.514 2 1 103 . 1 1 A 16 16 THR HA H 16 4.130 4.431 -0.301 2 1 104 . 1 1 A 16 16 THR CB C 16 68.664 69.080 -0.416 2 1 110 . 1 1 A 16 16 THR C C 16 174.750 175.428 -0.678 2 1 111 . 1 1 A 17 17 VAL N N 17 123.592 120.664 2.928 2 1 112 . 1 1 A 17 17 VAL H H 17 8.618 7.775 0.843 2 1 113 . 1 1 A 17 17 VAL CA C 17 65.222 64.874 0.348 2 1 114 . 1 1 A 17 17 VAL HA H 17 3.795 3.819 -0.024 2 1 115 . 1 1 A 17 17 VAL CB C 17 32.714 32.664 0.050 2 1 125 . 1 1 A 17 17 VAL C C 17 177.090 177.252 -0.162 2 1 126 . 1 1 A 18 18 CYS N N 18 115.099 115.117 -0.018 2 1 127 . 1 1 A 18 18 CYS H H 18 7.957 7.756 0.201 2 1 128 . 1 1 A 18 18 CYS CA C 18 58.176 59.436 -1.260 2 1 129 . 1 1 A 18 18 CYS HA H 18 5.159 4.612 0.547 2 1 130 . 1 1 A 18 18 CYS CB C 18 32.806 29.947 2.859 2 1 133 . 1 1 A 18 18 CYS C C 18 176.462 175.404 1.058 2 1 134 . 1 1 A 19 19 GLY N N 19 113.815 110.191 3.624 2 1 135 . 1 1 A 19 19 GLY H H 19 8.183 8.123 0.060 2 1 136 . 1 1 A 19 19 GLY CA C 19 46.160 45.553 0.607 2 1 137 . 1 1 A 19 19 GLY HA2 H 19 4.209 4.050 0.159 2 1 138 . 1 1 A 19 19 GLY HA3 H 19 3.748 4.060 -0.312 2 1 139 . 1 1 A 19 19 GLY C C 19 173.546 174.284 -0.738 2 1 140 . 1 1 A 20 20 LYS N N 20 123.111 120.722 2.389 2 1 141 . 1 1 A 20 20 LYS H H 20 7.986 7.828 0.158 2 1 142 . 1 1 A 20 20 LYS CA C 20 58.320 54.954 3.366 2 1 143 . 1 1 A 20 20 LYS HA H 20 3.936 4.656 -0.720 2 1 144 . 1 1 A 20 20 LYS CB C 20 33.685 34.774 -1.089 2 1 156 . 1 1 A 20 20 LYS C C 20 173.419 175.077 -1.658 2 1 157 . 1 1 A 21 21 ALA N N 21 124.165 125.692 -1.527 2 1 158 . 1 1 A 21 21 ALA H H 21 7.779 8.409 -0.630 2 1 159 . 1 1 A 21 21 ALA CA C 21 50.486 50.078 0.408 2 1 160 . 1 1 A 21 21 ALA HA H 21 5.105 5.460 -0.355 2 1 161 . 1 1 A 21 21 ALA CB C 21 22.458 22.520 -0.062 2 1 165 . 1 1 A 21 21 ALA C C 21 176.756 175.617 1.139 2 1 166 . 1 1 A 22 22 PHE N N 22 118.244 117.680 0.564 2 1 167 . 1 1 A 22 22 PHE H H 22 8.986 8.727 0.259 2 1 168 . 1 1 A 22 22 PHE CA C 22 57.418 56.791 0.627 2 1 169 . 1 1 A 22 22 PHE HA H 22 4.717 4.884 -0.167 2 1 170 . 1 1 A 22 22 PHE CB C 22 43.231 42.787 0.444 2 1 183 . 1 1 A 22 22 PHE C C 22 175.604 175.833 -0.229 2 1 184 . 1 1 A 23 23 THR N N 23 112.986 116.895 -3.909 2 1 185 . 1 1 A 23 23 THR H H 23 8.941 8.777 0.164 2 1 186 . 1 1 A 23 23 THR CA C 23 63.847 65.207 -1.360 2 1 187 . 1 1 A 23 23 THR HA H 23 4.470 4.284 0.186 2 1 188 . 1 1 A 23 23 THR CB C 23 69.556 69.150 0.406 2 1 194 . 1 1 A 23 23 THR C C 23 174.032 174.361 -0.329 2 1 195 . 1 1 A 24 24 ASP N N 24 118.330 120.347 -2.017 2 1 196 . 1 1 A 24 24 ASP H H 24 7.637 8.093 -0.456 2 1 197 . 1 1 A 24 24 ASP CA C 24 52.811 53.387 -0.576 2 1 198 . 1 1 A 24 24 ASP HA H 24 4.808 4.923 -0.115 2 1 199 . 1 1 A 24 24 ASP CB C 24 43.632 42.421 1.211 2 1 202 . 1 1 A 24 24 ASP C C 24 175.092 176.184 -1.092 2 1 203 . 1 1 A 25 25 ARG N N 25 124.562 125.489 -0.927 2 1 204 . 1 1 A 25 25 ARG H H 25 8.384 8.420 -0.036 2 1 205 . 1 1 A 25 25 ARG CA C 25 59.227 59.141 0.086 2 1 206 . 1 1 A 25 25 ARG HA H 25 3.139 3.111 0.028 2 1 207 . 1 1 A 25 25 ARG CB C 25 29.797 29.421 0.376 2 1 216 . 1 1 A 25 25 ARG C C 25 177.768 177.670 0.098 2 1 217 . 1 1 A 26 26 SER N N 26 114.310 115.467 -1.157 2 1 218 . 1 1 A 26 26 SER H H 26 8.404 7.889 0.515 2 1 219 . 1 1 A 26 26 SER CA C 26 61.865 61.757 0.108 2 1 220 . 1 1 A 26 26 SER HA H 26 3.981 4.026 -0.045 2 1 221 . 1 1 A 26 26 SER CB C 26 62.116 62.778 -0.662 2 1 224 . 1 1 A 26 26 SER C C 26 177.339 176.856 0.483 2 1 225 . 1 1 A 27 27 ASN N N 27 120.170 120.170 -0.000 2 1 226 . 1 1 A 27 27 ASN H H 27 8.024 8.125 -0.101 2 1 227 . 1 1 A 27 27 ASN CA C 27 55.713 56.371 -0.658 2 1 228 . 1 1 A 27 27 ASN HA H 27 4.426 4.380 0.046 2 1 229 . 1 1 A 27 27 ASN CB C 27 38.343 38.248 0.095 2 1 235 . 1 1 A 27 27 ASN C C 27 177.564 177.577 -0.013 2 1 236 . 1 1 A 28 28 LEU N N 28 123.285 120.240 3.045 2 1 237 . 1 1 A 28 28 LEU H H 28 7.047 7.544 -0.497 2 1 238 . 1 1 A 28 28 LEU CA C 28 58.259 57.544 0.715 2 1 239 . 1 1 A 28 28 LEU HA H 28 3.147 2.986 0.161 2 1 240 . 1 1 A 28 28 LEU CB C 28 40.313 41.534 -1.221 2 1 253 . 1 1 A 28 28 LEU C C 28 177.394 178.431 -1.037 2 1 254 . 1 1 A 29 29 ILE N N 29 119.714 119.876 -0.162 2 1 255 . 1 1 A 29 29 ILE H H 29 8.148 7.958 0.190 2 1 256 . 1 1 A 29 29 ILE CA C 29 64.564 65.177 -0.614 2 1 257 . 1 1 A 29 29 ILE HA H 29 3.692 3.494 0.198 2 1 258 . 1 1 A 29 29 ILE CB C 29 37.503 37.511 -0.007 2 1 271 . 1 1 A 29 29 ILE C C 29 179.034 178.237 0.797 2 1 272 . 1 1 A 30 30 LYS N N 30 118.869 120.801 -1.932 2 1 273 . 1 1 A 30 30 LYS H H 30 7.539 8.114 -0.575 2 1 274 . 1 1 A 30 30 LYS CA C 30 59.707 58.785 0.922 2 1 275 . 1 1 A 30 30 LYS HA H 30 3.917 3.985 -0.068 2 1 276 . 1 1 A 30 30 LYS CB C 30 32.807 31.776 1.031 2 1 288 . 1 1 A 30 30 LYS C C 30 179.031 178.786 0.245 2 1 289 . 1 1 A 31 31 HIS N N 31 118.737 119.404 -0.667 2 1 290 . 1 1 A 31 31 HIS H H 31 7.554 8.017 -0.462 2 1 291 . 1 1 A 31 31 HIS CA C 31 59.020 59.471 -0.452 2 1 292 . 1 1 A 31 31 HIS HA H 31 4.175 4.157 0.018 2 1 293 . 1 1 A 31 31 HIS CB C 31 28.480 29.677 -1.197 2 1 300 . 1 1 A 31 31 HIS C C 31 176.197 177.359 -1.162 2 1 301 . 1 1 A 32 32 GLN N N 32 115.420 118.181 -2.761 2 1 302 . 1 1 A 32 32 GLN H H 32 8.379 8.191 0.188 2 1 303 . 1 1 A 32 32 GLN CA C 32 59.377 58.753 0.624 2 1 304 . 1 1 A 32 32 GLN HA H 32 3.642 3.870 -0.228 2 1 305 . 1 1 A 32 32 GLN CB C 32 28.253 28.372 -0.119 2 1 314 . 1 1 A 32 32 GLN C C 32 177.510 178.467 -0.957 2 1 315 . 1 1 A 33 33 LYS N N 33 117.483 119.287 -1.804 2 1 316 . 1 1 A 33 33 LYS H H 33 7.088 7.778 -0.690 2 1 317 . 1 1 A 33 33 LYS CA C 33 58.393 58.650 -0.257 2 1 318 . 1 1 A 33 33 LYS HA H 33 4.094 4.040 0.054 2 1 319 . 1 1 A 33 33 LYS CB C 33 32.312 32.140 0.172 2 1 331 . 1 1 A 33 33 LYS C C 33 178.685 179.143 -0.458 2 1 332 . 1 1 A 34 34 ILE N N 34 116.168 116.174 -0.006 2 1 333 . 1 1 A 34 34 ILE H H 34 7.815 7.570 0.245 2 1 334 . 1 1 A 34 34 ILE CA C 34 63.019 63.657 -0.637 2 1 335 . 1 1 A 34 34 ILE HA H 34 3.979 3.765 0.214 2 1 336 . 1 1 A 34 34 ILE CB C 34 37.697 37.068 0.629 2 1 349 . 1 1 A 34 34 ILE C C 34 177.346 176.883 0.463 2 1 350 . 1 1 A 35 35 HIS N N 35 117.330 119.583 -2.253 2 1 351 . 1 1 A 35 35 HIS H H 35 7.193 7.543 -0.350 2 1 352 . 1 1 A 35 35 HIS CA C 35 54.932 57.420 -2.488 2 1 353 . 1 1 A 35 35 HIS HA H 35 4.916 4.522 0.394 2 1 354 . 1 1 A 35 35 HIS CB C 35 28.387 30.590 -2.203 2 1 361 . 1 1 A 35 35 HIS C C 35 175.585 175.702 -0.117 2 1 362 . 1 1 A 36 36 THR N N 36 112.446 111.773 0.673 2 1 363 . 1 1 A 36 36 THR H H 36 7.752 7.605 0.147 2 1 364 . 1 1 A 36 36 THR CA C 36 62.671 61.883 0.788 2 1 365 . 1 1 A 36 36 THR HA H 36 4.329 4.372 -0.043 2 1 366 . 1 1 A 36 36 THR CB C 36 69.763 69.249 0.514 2 1 372 . 1 1 A 36 36 THR C C 36 175.346 174.465 0.881 2 1 373 . 1 1 A 37 37 GLY N N 37 110.884 111.408 -0.524 2 1 374 . 1 1 A 37 37 GLY H H 37 8.312 8.213 0.099 2 1 375 . 1 1 A 37 37 GLY CA C 37 45.315 45.409 -0.094 2 1 376 . 1 1 A 37 37 GLY HA2 H 37 3.987 4.064 -0.077 2 1 377 . 1 1 A 37 37 GLY HA3 H 37 3.987 4.071 -0.084 2 1 378 . 1 1 A 37 37 GLY C C 37 174.024 173.798 0.226 2 1 379 . 1 1 A 38 38 GLU N N 38 120.586 121.694 -1.108 2 1 380 . 1 1 A 38 38 GLU H H 38 8.084 8.396 -0.312 2 1 381 . 1 1 A 38 38 GLU CA C 38 56.427 56.634 -0.207 2 1 382 . 1 1 A 38 38 GLU HA H 38 4.248 4.476 -0.228 2 1 383 . 1 1 A 38 38 GLU CB C 38 30.573 30.885 -0.312 2 1 389 . 1 1 A 38 38 GLU C C 38 176.226 176.023 0.203 2 1 390 . 1 1 A 39 39 LYS N N 39 123.823 121.959 1.864 2 1 391 . 1 1 A 39 39 LYS H H 39 8.425 8.204 0.221 2 1 392 . 1 1 A 39 39 LYS CA C 39 54.118 54.124 -0.006 2 1 393 . 1 1 A 39 39 LYS HA H 39 4.604 4.577 0.027 2 1 394 . 1 1 A 39 39 LYS CB C 39 32.536 33.175 -0.639 2 1 406 . 1 1 A 39 39 LYS C C 39 174.461 175.388 -0.927 2 1 407 . 1 1 A 40 40 PRO CA C 40 63.231 63.039 0.192 2 1 408 . 1 1 A 40 40 PRO HA H 40 4.460 4.607 -0.147 2 1 409 . 1 1 A 40 40 PRO CB C 40 32.200 32.007 0.193 2 1 418 . 1 1 A 40 40 PRO C C 40 176.951 176.421 0.530 2 1 419 . 1 1 A 41 41 SER N N 41 116.497 116.091 0.406 2 1 420 . 1 1 A 41 41 SER H H 41 8.475 8.376 0.099 2 1 421 . 1 1 A 41 41 SER CA C 41 58.375 58.487 -0.112 2 1 422 . 1 1 A 41 41 SER HA H 41 4.491 4.643 -0.152 2 1 423 . 1 1 A 41 41 SER CB C 41 63.953 64.402 -0.449 2 1 425 . 1 1 A 41 41 SER C C 41 174.588 174.351 0.237 2 1 426 . 1 1 A 42 42 GLY CA C 42 44.665 45.573 -0.908 2 1 427 . 1 1 A 42 42 GLY HA2 H 42 4.111 4.052 0.059 2 1 428 . 1 1 A 42 42 GLY HA3 H 42 4.153 4.053 0.100 2 1 429 . 1 1 A 43 43 PRO CA C 43 63.238 63.412 -0.174 2 1 430 . 1 1 A 43 43 PRO HA H 43 4.467 4.546 -0.079 2 1 431 . 1 1 A 43 43 PRO CB C 43 32.174 31.659 0.515 2 1 440 . 1 1 A 45 45 SER CA C 45 58.360 58.408 -0.048 2 1 441 . 1 1 A 45 45 SER HA H 45 4.482 4.645 -0.163 2 1 442 . 1 1 A 45 45 SER CB C 45 64.038 63.963 0.075 2 1 445 . 1 1 A 45 45 SER C C 45 173.890 174.575 -0.685 2 stop_ save_