data_10200_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10200
_Entry.PDB_ID 2EMB
_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 8 8 HIS CA C 8 56.286 54.801 1.485 1
1 2 . 1 1 1 A 8 8 HIS HA H 8 4.631 5.034 -0.403 1
1 3 . 1 1 1 A 8 8 HIS CB C 8 30.954 29.640 1.314 1
1 10 . 1 1 1 A 9 9 THR CA C 9 61.910 59.841 2.069 1
1 11 . 1 1 1 A 9 9 THR HA H 9 4.231 4.792 -0.561 1
1 12 . 1 1 1 A 9 9 THR CB C 9 69.722 72.099 -2.377 1
1 18 . 1 1 1 A 9 9 THR C C 9 174.222 171.843 2.379 1
1 19 . 1 1 1 A 10 10 ARG N N 10 124.169 127.365 -3.196 1
1 20 . 1 1 1 A 10 10 ARG H H 10 8.328 8.656 -0.328 1
1 21 . 1 1 1 A 10 10 ARG CA C 10 56.013 55.733 0.280 1
1 22 . 1 1 1 A 10 10 ARG HA H 10 4.251 4.349 -0.098 1
1 23 . 1 1 1 A 10 10 ARG CB C 10 30.838 31.421 -0.583 1
1 29 . 1 1 1 A 10 10 ARG C C 10 175.968 177.572 -1.604 1
1 33 . 1 1 1 A 11 11 LYS N N 11 123.653 122.266 1.387 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.339 8.491 -0.152 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 56.035 57.411 -1.376 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.174 4.142 0.032 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 32.967 32.433 0.534 1
1 44 . 1 1 1 A 11 11 LYS C C 11 175.763 175.793 -0.030 1
1 49 . 1 1 1 A 12 12 ARG N N 12 120.724 118.260 2.464 1
1 50 . 1 1 1 A 12 12 ARG H H 12 8.016 7.512 0.504 1
1 51 . 1 1 1 A 12 12 ARG CA C 12 56.275 54.011 2.264 1
1 52 . 1 1 1 A 12 12 ARG HA H 12 4.204 4.750 -0.546 1
1 53 . 1 1 1 A 12 12 ARG CB C 12 31.979 34.729 -2.750 1
1 59 . 1 1 1 A 12 12 ARG C C 12 175.087 174.196 0.891 1
1 63 . 1 1 1 A 13 13 TYR N N 13 119.605 118.900 0.705 1
1 64 . 1 1 1 A 13 13 TYR H H 13 8.559 8.678 -0.119 1
1 65 . 1 1 1 A 13 13 TYR CA C 13 57.661 57.438 0.223 1
1 66 . 1 1 1 A 13 13 TYR HA H 13 4.601 5.325 -0.724 1
1 67 . 1 1 1 A 13 13 TYR CB C 13 39.557 40.285 -0.728 1
1 77 . 1 1 1 A 13 13 TYR C C 13 174.706 175.329 -0.623 1
1 79 . 1 1 1 A 14 14 GLU N N 14 123.907 123.591 0.316 1
1 80 . 1 1 1 A 14 14 GLU H H 14 8.787 9.077 -0.290 1
1 81 . 1 1 1 A 14 14 GLU CA C 14 54.868 55.245 -0.377 1
1 82 . 1 1 1 A 14 14 GLU HA H 14 4.858 5.351 -0.493 1
1 83 . 1 1 1 A 14 14 GLU CB C 14 32.614 32.115 0.499 1
1 87 . 1 1 1 A 14 14 GLU C C 14 175.009 175.391 -0.382 1
1 90 . 1 1 1 A 15 15 CYS N N 15 126.801 123.321 3.480 1
1 91 . 1 1 1 A 15 15 CYS H H 15 8.846 9.133 -0.287 1
1 92 . 1 1 1 A 15 15 CYS CA C 15 59.805 57.328 2.477 1
1 93 . 1 1 1 A 15 15 CYS HA H 15 4.477 5.050 -0.573 1
1 94 . 1 1 1 A 15 15 CYS CB C 15 29.783 30.521 -0.738 1
1 96 . 1 1 1 A 15 15 CYS C C 15 176.142 175.399 0.743 1
1 98 . 1 1 1 A 16 16 SER CA C 16 60.236 58.328 1.908 1
1 99 . 1 1 1 A 16 16 SER HA H 16 4.429 4.624 -0.195 1
1 100 . 1 1 1 A 16 16 SER CB C 16 63.380 62.935 0.445 1
1 102 . 1 1 1 A 16 16 SER C C 16 174.975 175.153 -0.178 1
1 104 . 1 1 1 A 17 17 LYS N N 17 123.704 121.246 2.458 1
1 105 . 1 1 1 A 17 17 LYS H H 17 9.085 7.802 1.283 1
1 106 . 1 1 1 A 17 17 LYS CA C 17 56.964 56.496 0.468 1
1 107 . 1 1 1 A 17 17 LYS HA H 17 4.309 4.316 -0.007 1
1 108 . 1 1 1 A 17 17 LYS CB C 17 33.110 34.826 -1.716 1
1 116 . 1 1 1 A 17 17 LYS C C 17 176.454 177.683 -1.229 1
1 121 . 1 1 1 A 18 18 CYS N N 18 117.611 113.784 3.827 1
1 122 . 1 1 1 A 18 18 CYS H H 18 7.842 7.959 -0.117 1
1 123 . 1 1 1 A 18 18 CYS CA C 18 58.533 58.325 0.208 1
1 124 . 1 1 1 A 18 18 CYS HA H 18 4.959 4.650 0.309 1
1 125 . 1 1 1 A 18 18 CYS CB C 18 31.098 29.531 1.567 1
1 127 . 1 1 1 A 18 18 CYS C C 18 174.286 174.652 -0.366 1
1 129 . 1 1 1 A 19 19 GLN N N 19 115.380 115.932 -0.552 1
1 130 . 1 1 1 A 19 19 GLN H H 19 8.099 7.894 0.205 1
1 131 . 1 1 1 A 19 19 GLN CA C 19 58.073 57.074 0.999 1
1 132 . 1 1 1 A 19 19 GLN HA H 19 4.196 4.043 0.153 1
1 133 . 1 1 1 A 19 19 GLN CB C 19 27.004 26.291 0.713 1
1 140 . 1 1 1 A 19 19 GLN C C 19 175.057 173.960 1.097 1
1 143 . 1 1 1 A 20 20 ALA N N 20 125.831 120.735 5.096 1
1 144 . 1 1 1 A 20 20 ALA H H 20 8.504 7.970 0.534 1
1 145 . 1 1 1 A 20 20 ALA CA C 20 53.802 50.423 3.379 1
1 146 . 1 1 1 A 20 20 ALA HA H 20 4.022 4.770 -0.748 1
1 147 . 1 1 1 A 20 20 ALA CB C 20 19.769 22.002 -2.233 1
1 151 . 1 1 1 A 20 20 ALA C C 20 176.208 177.567 -1.359 1
1 152 . 1 1 1 A 21 21 THR N N 21 110.430 110.600 -0.170 1
1 153 . 1 1 1 A 21 21 THR H H 21 7.487 8.552 -1.065 1
1 154 . 1 1 1 A 21 21 THR CA C 21 59.643 59.394 0.249 1
1 155 . 1 1 1 A 21 21 THR HA H 21 5.057 5.534 -0.477 1
1 156 . 1 1 1 A 21 21 THR CB C 21 71.992 71.450 0.542 1
1 162 . 1 1 1 A 21 21 THR C C 21 172.921 173.728 -0.807 1
1 163 . 1 1 1 A 22 22 PHE N N 22 117.143 117.578 -0.435 1
1 164 . 1 1 1 A 22 22 PHE H H 22 8.666 8.314 0.352 1
1 165 . 1 1 1 A 22 22 PHE CA C 22 57.117 56.453 0.664 1
1 166 . 1 1 1 A 22 22 PHE HA H 22 4.827 4.930 -0.103 1
1 167 . 1 1 1 A 22 22 PHE CB C 22 44.378 43.751 0.627 1
1 179 . 1 1 1 A 22 22 PHE C C 22 174.912 175.732 -0.820 1
1 181 . 1 1 1 A 23 23 ASN CA C 23 54.423 55.310 -0.887 1
1 182 . 1 1 1 A 23 23 ASN HA H 23 5.038 4.947 0.091 1
1 183 . 1 1 1 A 23 23 ASN CB C 23 39.624 40.186 -0.562 1
1 188 . 1 1 1 A 23 23 ASN C C 23 174.719 175.524 -0.805 1
1 190 . 1 1 1 A 24 24 LEU N N 24 116.814 119.346 -2.532 1
1 191 . 1 1 1 A 24 24 LEU H H 24 7.520 8.070 -0.550 1
1 192 . 1 1 1 A 24 24 LEU CA C 24 53.161 53.949 -0.788 1
1 193 . 1 1 1 A 24 24 LEU HA H 24 4.774 4.394 0.380 1
1 194 . 1 1 1 A 24 24 LEU CB C 24 44.687 42.649 2.038 1
1 206 . 1 1 1 A 24 24 LEU C C 24 177.051 177.217 -0.166 1
1 208 . 1 1 1 A 25 25 ARG N N 25 127.581 124.548 3.033 1
1 209 . 1 1 1 A 25 25 ARG H H 25 8.517 8.721 -0.204 1
1 210 . 1 1 1 A 25 25 ARG CA C 25 59.593 59.355 0.238 1
1 211 . 1 1 1 A 25 25 ARG HA H 25 2.822 3.221 -0.399 1
1 212 . 1 1 1 A 25 25 ARG CB C 25 29.135 29.762 -0.627 1
1 218 . 1 1 1 A 25 25 ARG C C 25 178.315 177.897 0.418 1
1 222 . 1 1 1 A 26 26 LYS N N 26 115.815 117.945 -2.130 1
1 223 . 1 1 1 A 26 26 LYS H H 26 8.495 8.010 0.485 1
1 224 . 1 1 1 A 26 26 LYS CA C 26 59.134 59.043 0.091 1
1 225 . 1 1 1 A 26 26 LYS HA H 26 3.842 4.047 -0.205 1
1 226 . 1 1 1 A 26 26 LYS CB C 26 31.632 31.903 -0.271 1
1 234 . 1 1 1 A 26 26 LYS C C 26 178.251 178.850 -0.599 1
1 239 . 1 1 1 A 27 27 HIS N N 27 117.633 118.539 -0.906 1
1 240 . 1 1 1 A 27 27 HIS H H 27 6.643 8.084 -1.441 1
1 241 . 1 1 1 A 27 27 HIS CA C 27 56.893 59.494 -2.601 1
1 242 . 1 1 1 A 27 27 HIS HA H 27 4.395 4.364 0.031 1
1 243 . 1 1 1 A 27 27 HIS CB C 27 31.346 29.962 1.384 1
1 249 . 1 1 1 A 27 27 HIS C C 27 178.052 177.872 0.180 1
1 251 . 1 1 1 A 28 28 LEU N N 28 122.685 119.436 3.249 1
1 252 . 1 1 1 A 28 28 LEU H H 28 6.932 7.319 -0.387 1
1 253 . 1 1 1 A 28 28 LEU CA C 28 57.937 57.349 0.588 1
1 254 . 1 1 1 A 28 28 LEU HA H 28 3.236 3.392 -0.156 1
1 255 . 1 1 1 A 28 28 LEU CB C 28 40.257 41.523 -1.266 1
1 267 . 1 1 1 A 28 28 LEU C C 28 177.710 178.302 -0.592 1
1 269 . 1 1 1 A 29 29 ILE N N 29 119.595 119.337 0.258 1
1 270 . 1 1 1 A 29 29 ILE H H 29 8.045 7.641 0.404 1
1 271 . 1 1 1 A 29 29 ILE CA C 29 64.337 65.631 -1.294 1
1 272 . 1 1 1 A 29 29 ILE HA H 29 3.654 3.538 0.116 1
1 273 . 1 1 1 A 29 29 ILE CB C 29 37.272 37.854 -0.582 1
1 285 . 1 1 1 A 29 29 ILE C C 29 179.315 178.281 1.034 1
1 287 . 1 1 1 A 30 30 GLN N N 30 118.156 120.136 -1.980 1
1 288 . 1 1 1 A 30 30 GLN H H 30 7.507 7.758 -0.251 1
1 289 . 1 1 1 A 30 30 GLN CA C 30 58.708 58.772 -0.064 1
1 290 . 1 1 1 A 30 30 GLN HA H 30 3.924 3.944 -0.020 1
1 291 . 1 1 1 A 30 30 GLN CB C 30 28.351 28.214 0.137 1
1 298 . 1 1 1 A 30 30 GLN C C 30 178.602 178.212 0.390 1
1 301 . 1 1 1 A 31 31 HIS N N 31 118.789 119.745 -0.956 1
1 302 . 1 1 1 A 31 31 HIS H H 31 7.691 7.928 -0.237 1
1 303 . 1 1 1 A 31 31 HIS CA C 31 59.054 60.177 -1.123 1
1 304 . 1 1 1 A 31 31 HIS HA H 31 4.208 4.207 0.001 1
1 305 . 1 1 1 A 31 31 HIS CB C 31 28.726 29.402 -0.676 1
1 311 . 1 1 1 A 31 31 HIS C C 31 177.945 177.391 0.554 1
1 313 . 1 1 1 A 32 32 GLN N N 32 119.822 118.654 1.168 1
1 314 . 1 1 1 A 32 32 GLN H H 32 8.680 8.235 0.445 1
1 315 . 1 1 1 A 32 32 GLN CA C 32 59.589 58.397 1.192 1
1 316 . 1 1 1 A 32 32 GLN HA H 32 3.710 4.059 -0.349 1
1 317 . 1 1 1 A 32 32 GLN CB C 32 27.916 28.617 -0.701 1
1 324 . 1 1 1 A 32 32 GLN C C 32 178.170 178.664 -0.494 1
1 327 . 1 1 1 A 33 33 LYS N N 33 118.224 120.226 -2.002 1
1 328 . 1 1 1 A 33 33 LYS H H 33 7.248 8.038 -0.790 1
1 329 . 1 1 1 A 33 33 LYS CA C 33 58.912 59.610 -0.698 1
1 330 . 1 1 1 A 33 33 LYS HA H 33 4.050 4.037 0.013 1
1 331 . 1 1 1 A 33 33 LYS CB C 33 32.160 32.231 -0.071 1
1 338 . 1 1 1 A 33 33 LYS C C 33 178.506 179.187 -0.681 1
1 343 . 1 1 1 A 34 34 THR N N 34 109.843 114.409 -4.566 1
1 344 . 1 1 1 A 34 34 THR H H 34 7.690 7.679 0.011 1
1 345 . 1 1 1 A 34 34 THR CA C 34 63.891 64.186 -0.295 1
1 346 . 1 1 1 A 34 34 THR HA H 34 4.047 3.963 0.084 1
1 347 . 1 1 1 A 34 34 THR CB C 34 69.205 68.397 0.808 1
1 353 . 1 1 1 A 34 34 THR C C 34 175.352 175.410 -0.058 1
1 354 . 1 1 1 A 35 35 HIS N N 35 117.905 117.166 0.739 1
1 355 . 1 1 1 A 35 35 HIS H H 35 6.998 7.610 -0.612 1
1 356 . 1 1 1 A 35 35 HIS CA C 35 55.067 55.543 -0.476 1
1 357 . 1 1 1 A 35 35 HIS HA H 35 4.763 4.572 0.191 1
1 358 . 1 1 1 A 35 35 HIS CB C 35 28.672 29.150 -0.478 1
1 364 . 1 1 1 A 35 35 HIS C C 35 174.592 175.307 -0.715 1
1 366 . 1 1 1 A 36 36 ALA N N 36 123.690 122.068 1.622 1
1 367 . 1 1 1 A 36 36 ALA H H 36 7.542 7.456 0.086 1
1 368 . 1 1 1 A 36 36 ALA CA C 36 52.507 52.144 0.363 1
1 369 . 1 1 1 A 36 36 ALA HA H 36 4.247 4.283 -0.036 1
1 370 . 1 1 1 A 36 36 ALA CB C 36 19.368 18.418 0.950 1
1 374 . 1 1 1 A 36 36 ALA C C 36 177.263 176.924 0.339 1
1 375 . 1 1 1 A 37 37 ALA N N 37 123.646 122.067 1.579 1
1 376 . 1 1 1 A 37 37 ALA H H 37 8.194 7.633 0.561 1
1 377 . 1 1 1 A 37 37 ALA CA C 37 52.517 51.719 0.798 1
1 378 . 1 1 1 A 37 37 ALA HA H 37 4.244 4.352 -0.108 1
1 379 . 1 1 1 A 37 37 ALA CB C 37 19.181 18.325 0.856 1
1 383 . 1 1 1 A 37 37 ALA C C 37 177.787 176.676 1.111 1
1 384 . 1 1 1 A 38 38 LYS N N 38 120.872 125.918 -5.046 1
1 385 . 1 1 1 A 38 38 LYS H H 38 8.304 8.324 -0.020 1
1 386 . 1 1 1 A 38 38 LYS CA C 38 56.161 56.722 -0.561 1
1 387 . 1 1 1 A 38 38 LYS HA H 38 4.304 4.296 0.008 1
1 388 . 1 1 1 A 38 38 LYS CB C 38 33.014 32.707 0.307 1
1 396 . 1 1 1 A 38 38 LYS C C 38 176.530 176.412 0.118 1
1 401 . 1 1 1 A 40 40 GLY CA C 40 44.610 45.763 -1.153 1
1 402 . 1 1 1 A 40 40 GLY HA3 H 40 4.091 4.412 -0.321 1
1 403 . 1 1 1 A 40 40 GLY HA2 H 40 4.091 4.411 -0.320 1
1 404 . 1 1 1 A 41 41 PRO CA C 41 63.260 64.248 -0.988 1
1 405 . 1 1 1 A 41 41 PRO HA H 41 4.424 4.547 -0.123 1
1 406 . 1 1 1 A 41 41 PRO CB C 41 32.165 31.818 0.347 1
1 415 . 1 1 1 A 43 43 SER CA C 43 58.325 56.540 1.785 1
1 416 . 1 1 1 A 43 43 SER HA H 43 4.444 4.937 -0.493 1
1 417 . 1 1 1 A 43 43 SER CB C 43 64.067 64.962 -0.895 1
1 419 . 1 1 1 A 43 43 SER C C 43 173.889 175.144 -1.255 1
1 1 . 2 1 1 A 8 8 HIS CA C 8 56.286 55.503 0.783 1
1 2 . 2 1 1 A 8 8 HIS HA H 8 4.631 4.606 0.025 1
1 3 . 2 1 1 A 8 8 HIS CB C 8 30.954 29.624 1.330 1
1 10 . 2 1 1 A 9 9 THR CA C 9 61.910 66.787 -4.877 1
1 11 . 2 1 1 A 9 9 THR HA H 9 4.231 3.762 0.469 1
1 12 . 2 1 1 A 9 9 THR CB C 9 69.722 68.915 0.807 1
1 18 . 2 1 1 A 9 9 THR C C 9 174.222 175.214 -0.992 1
1 19 . 2 1 1 A 10 10 ARG N N 10 124.169 118.468 5.701 1
1 20 . 2 1 1 A 10 10 ARG H H 10 8.328 7.723 0.605 1
1 21 . 2 1 1 A 10 10 ARG CA C 10 56.013 55.803 0.210 1
1 22 . 2 1 1 A 10 10 ARG HA H 10 4.251 4.517 -0.266 1
1 23 . 2 1 1 A 10 10 ARG CB C 10 30.838 30.877 -0.039 1
1 29 . 2 1 1 A 10 10 ARG C C 10 175.968 175.614 0.354 1
1 33 . 2 1 1 A 11 11 LYS N N 11 123.653 124.241 -0.588 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.339 8.484 -0.145 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 56.035 54.555 1.480 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.174 4.910 -0.736 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 32.967 35.543 -2.576 1
1 44 . 2 1 1 A 11 11 LYS C C 11 175.763 175.370 0.393 1
1 49 . 2 1 1 A 12 12 ARG N N 12 120.724 119.265 1.459 1
1 50 . 2 1 1 A 12 12 ARG H H 12 8.016 8.524 -0.508 1
1 51 . 2 1 1 A 12 12 ARG CA C 12 56.275 54.255 2.020 1
1 52 . 2 1 1 A 12 12 ARG HA H 12 4.204 4.747 -0.543 1
1 53 . 2 1 1 A 12 12 ARG CB C 12 31.979 34.284 -2.305 1
1 59 . 2 1 1 A 12 12 ARG C C 12 175.087 175.416 -0.329 1
1 63 . 2 1 1 A 13 13 TYR N N 13 119.605 121.231 -1.626 1
1 64 . 2 1 1 A 13 13 TYR H H 13 8.559 8.815 -0.256 1
1 65 . 2 1 1 A 13 13 TYR CA C 13 57.661 59.644 -1.983 1
1 66 . 2 1 1 A 13 13 TYR HA H 13 4.601 4.608 -0.007 1
1 67 . 2 1 1 A 13 13 TYR CB C 13 39.557 38.611 0.946 1
1 77 . 2 1 1 A 13 13 TYR C C 13 174.706 175.347 -0.641 1
1 79 . 2 1 1 A 14 14 GLU N N 14 123.907 125.014 -1.107 1
1 80 . 2 1 1 A 14 14 GLU H H 14 8.787 9.021 -0.234 1
1 81 . 2 1 1 A 14 14 GLU CA C 14 54.868 54.524 0.344 1
1 82 . 2 1 1 A 14 14 GLU HA H 14 4.858 5.239 -0.381 1
1 83 . 2 1 1 A 14 14 GLU CB C 14 32.614 33.401 -0.787 1
1 87 . 2 1 1 A 14 14 GLU C C 14 175.009 174.212 0.797 1
1 90 . 2 1 1 A 15 15 CYS N N 15 126.801 124.908 1.893 1
1 91 . 2 1 1 A 15 15 CYS H H 15 8.846 8.792 0.054 1
1 92 . 2 1 1 A 15 15 CYS CA C 15 59.805 57.012 2.793 1
1 93 . 2 1 1 A 15 15 CYS HA H 15 4.477 5.044 -0.567 1
1 94 . 2 1 1 A 15 15 CYS CB C 15 29.783 30.584 -0.801 1
1 96 . 2 1 1 A 15 15 CYS C C 15 176.142 175.892 0.250 1
1 98 . 2 1 1 A 16 16 SER CA C 16 60.236 58.597 1.639 1
1 99 . 2 1 1 A 16 16 SER HA H 16 4.429 4.434 -0.005 1
1 100 . 2 1 1 A 16 16 SER CB C 16 63.380 62.787 0.593 1
1 102 . 2 1 1 A 16 16 SER C C 16 174.975 174.733 0.242 1
1 104 . 2 1 1 A 17 17 LYS N N 17 123.704 120.278 3.426 1
1 105 . 2 1 1 A 17 17 LYS H H 17 9.085 8.339 0.746 1
1 106 . 2 1 1 A 17 17 LYS CA C 17 56.964 57.552 -0.588 1
1 107 . 2 1 1 A 17 17 LYS HA H 17 4.309 4.606 -0.297 1
1 108 . 2 1 1 A 17 17 LYS CB C 17 33.110 35.342 -2.232 1
1 116 . 2 1 1 A 17 17 LYS C C 17 176.454 177.507 -1.053 1
1 121 . 2 1 1 A 18 18 CYS N N 18 117.611 115.337 2.274 1
1 122 . 2 1 1 A 18 18 CYS H H 18 7.842 8.093 -0.251 1
1 123 . 2 1 1 A 18 18 CYS CA C 18 58.533 58.189 0.344 1
1 124 . 2 1 1 A 18 18 CYS HA H 18 4.959 4.634 0.325 1
1 125 . 2 1 1 A 18 18 CYS CB C 18 31.098 28.360 2.738 1
1 127 . 2 1 1 A 18 18 CYS C C 18 174.286 174.470 -0.184 1
1 129 . 2 1 1 A 19 19 GLN N N 19 115.380 116.108 -0.728 1
1 130 . 2 1 1 A 19 19 GLN H H 19 8.099 7.673 0.426 1
1 131 . 2 1 1 A 19 19 GLN CA C 19 58.073 57.169 0.904 1
1 132 . 2 1 1 A 19 19 GLN HA H 19 4.196 4.020 0.176 1
1 133 . 2 1 1 A 19 19 GLN CB C 19 27.004 26.120 0.884 1
1 140 . 2 1 1 A 19 19 GLN C C 19 175.057 174.114 0.943 1
1 143 . 2 1 1 A 20 20 ALA N N 20 125.831 121.396 4.435 1
1 144 . 2 1 1 A 20 20 ALA H H 20 8.504 7.915 0.589 1
1 145 . 2 1 1 A 20 20 ALA CA C 20 53.802 50.289 3.513 1
1 146 . 2 1 1 A 20 20 ALA HA H 20 4.022 4.775 -0.753 1
1 147 . 2 1 1 A 20 20 ALA CB C 20 19.769 21.438 -1.669 1
1 151 . 2 1 1 A 20 20 ALA C C 20 176.208 176.739 -0.531 1
1 152 . 2 1 1 A 21 21 THR N N 21 110.430 112.997 -2.567 1
1 153 . 2 1 1 A 21 21 THR H H 21 7.487 8.671 -1.184 1
1 154 . 2 1 1 A 21 21 THR CA C 21 59.643 60.350 -0.707 1
1 155 . 2 1 1 A 21 21 THR HA H 21 5.057 5.391 -0.334 1
1 156 . 2 1 1 A 21 21 THR CB C 21 71.992 70.609 1.383 1
1 162 . 2 1 1 A 21 21 THR C C 21 172.921 174.037 -1.116 1
1 163 . 2 1 1 A 22 22 PHE N N 22 117.143 120.169 -3.026 1
1 164 . 2 1 1 A 22 22 PHE H H 22 8.666 9.181 -0.515 1
1 165 . 2 1 1 A 22 22 PHE CA C 22 57.117 56.640 0.477 1
1 166 . 2 1 1 A 22 22 PHE HA H 22 4.827 4.977 -0.150 1
1 167 . 2 1 1 A 22 22 PHE CB C 22 44.378 42.979 1.399 1
1 179 . 2 1 1 A 22 22 PHE C C 22 174.912 176.081 -1.169 1
1 181 . 2 1 1 A 23 23 ASN CA C 23 54.423 54.984 -0.561 1
1 182 . 2 1 1 A 23 23 ASN HA H 23 5.038 4.792 0.246 1
1 183 . 2 1 1 A 23 23 ASN CB C 23 39.624 38.787 0.837 1
1 188 . 2 1 1 A 23 23 ASN C C 23 174.719 174.723 -0.004 1
1 190 . 2 1 1 A 24 24 LEU N N 24 116.814 119.076 -2.262 1
1 191 . 2 1 1 A 24 24 LEU H H 24 7.520 8.099 -0.579 1
1 192 . 2 1 1 A 24 24 LEU CA C 24 53.161 53.211 -0.050 1
1 193 . 2 1 1 A 24 24 LEU HA H 24 4.774 4.817 -0.043 1
1 194 . 2 1 1 A 24 24 LEU CB C 24 44.687 44.089 0.598 1
1 206 . 2 1 1 A 24 24 LEU C C 24 177.051 177.220 -0.169 1
1 208 . 2 1 1 A 25 25 ARG N N 25 127.581 123.164 4.417 1
1 209 . 2 1 1 A 25 25 ARG H H 25 8.517 8.834 -0.317 1
1 210 . 2 1 1 A 25 25 ARG CA C 25 59.593 58.448 1.145 1
1 211 . 2 1 1 A 25 25 ARG HA H 25 2.822 2.998 -0.176 1
1 212 . 2 1 1 A 25 25 ARG CB C 25 29.135 29.876 -0.741 1
1 218 . 2 1 1 A 25 25 ARG C C 25 178.315 177.756 0.559 1
1 222 . 2 1 1 A 26 26 LYS N N 26 115.815 117.793 -1.978 1
1 223 . 2 1 1 A 26 26 LYS H H 26 8.495 8.047 0.448 1
1 224 . 2 1 1 A 26 26 LYS CA C 26 59.134 58.926 0.208 1
1 225 . 2 1 1 A 26 26 LYS HA H 26 3.842 4.049 -0.207 1
1 226 . 2 1 1 A 26 26 LYS CB C 26 31.632 31.904 -0.272 1
1 234 . 2 1 1 A 26 26 LYS C C 26 178.251 178.385 -0.134 1
1 239 . 2 1 1 A 27 27 HIS N N 27 117.633 119.227 -1.594 1
1 240 . 2 1 1 A 27 27 HIS H H 27 6.643 8.151 -1.508 1
1 241 . 2 1 1 A 27 27 HIS CA C 27 56.893 59.175 -2.282 1
1 242 . 2 1 1 A 27 27 HIS HA H 27 4.395 4.401 -0.006 1
1 243 . 2 1 1 A 27 27 HIS CB C 27 31.346 30.038 1.308 1
1 249 . 2 1 1 A 27 27 HIS C C 27 178.052 177.428 0.624 1
1 251 . 2 1 1 A 28 28 LEU N N 28 122.685 120.704 1.981 1
1 252 . 2 1 1 A 28 28 LEU H H 28 6.932 7.807 -0.875 1
1 253 . 2 1 1 A 28 28 LEU CA C 28 57.937 58.140 -0.203 1
1 254 . 2 1 1 A 28 28 LEU HA H 28 3.236 3.041 0.195 1
1 255 . 2 1 1 A 28 28 LEU CB C 28 40.257 41.440 -1.183 1
1 267 . 2 1 1 A 28 28 LEU C C 28 177.710 178.350 -0.640 1
1 269 . 2 1 1 A 29 29 ILE N N 29 119.595 119.768 -0.173 1
1 270 . 2 1 1 A 29 29 ILE H H 29 8.045 7.782 0.263 1
1 271 . 2 1 1 A 29 29 ILE CA C 29 64.337 65.475 -1.138 1
1 272 . 2 1 1 A 29 29 ILE HA H 29 3.654 3.582 0.072 1
1 273 . 2 1 1 A 29 29 ILE CB C 29 37.272 37.613 -0.341 1
1 285 . 2 1 1 A 29 29 ILE C C 29 179.315 178.222 1.093 1
1 287 . 2 1 1 A 30 30 GLN N N 30 118.156 120.070 -1.914 1
1 288 . 2 1 1 A 30 30 GLN H H 30 7.507 7.774 -0.267 1
1 289 . 2 1 1 A 30 30 GLN CA C 30 58.708 59.108 -0.400 1
1 290 . 2 1 1 A 30 30 GLN HA H 30 3.924 3.828 0.096 1
1 291 . 2 1 1 A 30 30 GLN CB C 30 28.351 28.177 0.174 1
1 298 . 2 1 1 A 30 30 GLN C C 30 178.602 177.918 0.684 1
1 301 . 2 1 1 A 31 31 HIS N N 31 118.789 119.816 -1.027 1
1 302 . 2 1 1 A 31 31 HIS H H 31 7.691 8.172 -0.481 1
1 303 . 2 1 1 A 31 31 HIS CA C 31 59.054 59.988 -0.934 1
1 304 . 2 1 1 A 31 31 HIS HA H 31 4.208 4.299 -0.091 1
1 305 . 2 1 1 A 31 31 HIS CB C 31 28.726 30.169 -1.443 1
1 311 . 2 1 1 A 31 31 HIS C C 31 177.945 176.605 1.340 1
1 313 . 2 1 1 A 32 32 GLN N N 32 119.822 117.376 2.446 1
1 314 . 2 1 1 A 32 32 GLN H H 32 8.680 8.263 0.417 1
1 315 . 2 1 1 A 32 32 GLN CA C 32 59.589 59.177 0.412 1
1 316 . 2 1 1 A 32 32 GLN HA H 32 3.710 3.907 -0.197 1
1 317 . 2 1 1 A 32 32 GLN CB C 32 27.916 28.285 -0.369 1
1 324 . 2 1 1 A 32 32 GLN C C 32 178.170 178.487 -0.317 1
1 327 . 2 1 1 A 33 33 LYS N N 33 118.224 120.246 -2.022 1
1 328 . 2 1 1 A 33 33 LYS H H 33 7.248 7.762 -0.514 1
1 329 . 2 1 1 A 33 33 LYS CA C 33 58.912 59.299 -0.387 1
1 330 . 2 1 1 A 33 33 LYS HA H 33 4.050 4.066 -0.016 1
1 331 . 2 1 1 A 33 33 LYS CB C 33 32.160 32.316 -0.156 1
1 338 . 2 1 1 A 33 33 LYS C C 33 178.506 179.232 -0.726 1
1 343 . 2 1 1 A 34 34 THR N N 34 109.843 114.465 -4.622 1
1 344 . 2 1 1 A 34 34 THR H H 34 7.690 8.350 -0.660 1
1 345 . 2 1 1 A 34 34 THR CA C 34 63.891 64.282 -0.391 1
1 346 . 2 1 1 A 34 34 THR HA H 34 4.047 3.968 0.079 1
1 347 . 2 1 1 A 34 34 THR CB C 34 69.205 68.404 0.801 1
1 353 . 2 1 1 A 34 34 THR C C 34 175.352 175.477 -0.125 1
1 354 . 2 1 1 A 35 35 HIS N N 35 117.905 117.281 0.624 1
1 355 . 2 1 1 A 35 35 HIS H H 35 6.998 7.700 -0.702 1
1 356 . 2 1 1 A 35 35 HIS CA C 35 55.067 55.272 -0.205 1
1 357 . 2 1 1 A 35 35 HIS HA H 35 4.763 4.658 0.105 1
1 358 . 2 1 1 A 35 35 HIS CB C 35 28.672 29.442 -0.770 1
1 364 . 2 1 1 A 35 35 HIS C C 35 174.592 174.185 0.407 1
1 366 . 2 1 1 A 36 36 ALA N N 36 123.690 121.254 2.436 1
1 367 . 2 1 1 A 36 36 ALA H H 36 7.542 7.412 0.130 1
1 368 . 2 1 1 A 36 36 ALA CA C 36 52.507 50.162 2.345 1
1 369 . 2 1 1 A 36 36 ALA HA H 36 4.247 4.926 -0.679 1
1 370 . 2 1 1 A 36 36 ALA CB C 36 19.368 22.802 -3.434 1
1 374 . 2 1 1 A 36 36 ALA C C 36 177.263 175.837 1.426 1
1 375 . 2 1 1 A 37 37 ALA N N 37 123.646 120.615 3.031 1
1 376 . 2 1 1 A 37 37 ALA H H 37 8.194 8.381 -0.187 1
1 377 . 2 1 1 A 37 37 ALA CA C 37 52.517 50.926 1.591 1
1 378 . 2 1 1 A 37 37 ALA HA H 37 4.244 4.970 -0.726 1
1 379 . 2 1 1 A 37 37 ALA CB C 37 19.181 22.398 -3.217 1
1 383 . 2 1 1 A 37 37 ALA C C 37 177.787 177.160 0.627 1
1 384 . 2 1 1 A 38 38 LYS N N 38 120.872 125.174 -4.302 1
1 385 . 2 1 1 A 38 38 LYS H H 38 8.304 9.142 -0.838 1
1 386 . 2 1 1 A 38 38 LYS CA C 38 56.161 59.852 -3.691 1
1 387 . 2 1 1 A 38 38 LYS HA H 38 4.304 3.888 0.416 1
1 388 . 2 1 1 A 38 38 LYS CB C 38 33.014 32.609 0.405 1
1 396 . 2 1 1 A 38 38 LYS C C 38 176.530 178.853 -2.323 1
1 401 . 2 1 1 A 40 40 GLY CA C 40 44.610 45.212 -0.602 1
1 402 . 2 1 1 A 40 40 GLY HA3 H 40 4.091 4.050 0.041 1
1 403 . 2 1 1 A 40 40 GLY HA2 H 40 4.091 4.049 0.042 1
1 404 . 2 1 1 A 41 41 PRO CA C 41 63.260 62.755 0.505 1
1 405 . 2 1 1 A 41 41 PRO HA H 41 4.424 4.665 -0.241 1
1 406 . 2 1 1 A 41 41 PRO CB C 41 32.165 32.119 0.046 1
1 415 . 2 1 1 A 43 43 SER CA C 43 58.325 60.163 -1.838 1
1 416 . 2 1 1 A 43 43 SER HA H 43 4.444 4.277 0.167 1
1 417 . 2 1 1 A 43 43 SER CB C 43 64.067 64.224 -0.157 1
1 419 . 2 1 1 A 43 43 SER C C 43 173.889 175.734 -1.845 1
1 1 . 3 1 1 A 8 8 HIS CA C 8 56.286 54.350 1.936 1
1 2 . 3 1 1 A 8 8 HIS HA H 8 4.631 4.876 -0.245 1
1 3 . 3 1 1 A 8 8 HIS CB C 8 30.954 30.453 0.501 1
1 10 . 3 1 1 A 9 9 THR CA C 9 61.910 62.542 -0.632 1
1 11 . 3 1 1 A 9 9 THR HA H 9 4.231 3.747 0.484 1
1 12 . 3 1 1 A 9 9 THR CB C 9 69.722 66.431 3.291 1
1 18 . 3 1 1 A 9 9 THR C C 9 174.222 173.438 0.784 1
1 19 . 3 1 1 A 10 10 ARG N N 10 124.169 119.513 4.656 1
1 20 . 3 1 1 A 10 10 ARG H H 10 8.328 7.860 0.468 1
1 21 . 3 1 1 A 10 10 ARG CA C 10 56.013 54.539 1.474 1
1 22 . 3 1 1 A 10 10 ARG HA H 10 4.251 4.439 -0.188 1
1 23 . 3 1 1 A 10 10 ARG CB C 10 30.838 28.923 1.915 1
1 29 . 3 1 1 A 10 10 ARG C C 10 175.968 174.439 1.529 1
1 33 . 3 1 1 A 11 11 LYS N N 11 123.653 118.714 4.939 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.339 8.512 -0.173 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 56.035 54.871 1.164 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.174 5.083 -0.909 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 32.967 36.614 -3.647 1
1 44 . 3 1 1 A 11 11 LYS C C 11 175.763 174.223 1.540 1
1 49 . 3 1 1 A 12 12 ARG N N 12 120.724 118.636 2.088 1
1 50 . 3 1 1 A 12 12 ARG H H 12 8.016 8.367 -0.351 1
1 51 . 3 1 1 A 12 12 ARG CA C 12 56.275 53.931 2.344 1
1 52 . 3 1 1 A 12 12 ARG HA H 12 4.204 4.667 -0.463 1
1 53 . 3 1 1 A 12 12 ARG CB C 12 31.979 34.639 -2.660 1
1 59 . 3 1 1 A 12 12 ARG C C 12 175.087 175.443 -0.356 1
1 63 . 3 1 1 A 13 13 TYR N N 13 119.605 119.999 -0.394 1
1 64 . 3 1 1 A 13 13 TYR H H 13 8.559 8.150 0.409 1
1 65 . 3 1 1 A 13 13 TYR CA C 13 57.661 59.069 -1.408 1
1 66 . 3 1 1 A 13 13 TYR HA H 13 4.601 4.686 -0.085 1
1 67 . 3 1 1 A 13 13 TYR CB C 13 39.557 38.449 1.108 1
1 77 . 3 1 1 A 13 13 TYR C C 13 174.706 175.871 -1.165 1
1 79 . 3 1 1 A 14 14 GLU N N 14 123.907 124.217 -0.310 1
1 80 . 3 1 1 A 14 14 GLU H H 14 8.787 9.182 -0.395 1
1 81 . 3 1 1 A 14 14 GLU CA C 14 54.868 55.177 -0.309 1
1 82 . 3 1 1 A 14 14 GLU HA H 14 4.858 5.465 -0.607 1
1 83 . 3 1 1 A 14 14 GLU CB C 14 32.614 32.146 0.468 1
1 87 . 3 1 1 A 14 14 GLU C C 14 175.009 175.487 -0.478 1
1 90 . 3 1 1 A 15 15 CYS N N 15 126.801 122.931 3.870 1
1 91 . 3 1 1 A 15 15 CYS H H 15 8.846 9.034 -0.188 1
1 92 . 3 1 1 A 15 15 CYS CA C 15 59.805 57.701 2.104 1
1 93 . 3 1 1 A 15 15 CYS HA H 15 4.477 5.008 -0.531 1
1 94 . 3 1 1 A 15 15 CYS CB C 15 29.783 30.773 -0.990 1
1 96 . 3 1 1 A 15 15 CYS C C 15 176.142 176.214 -0.072 1
1 98 . 3 1 1 A 16 16 SER CA C 16 60.236 59.325 0.911 1
1 99 . 3 1 1 A 16 16 SER HA H 16 4.429 4.482 -0.053 1
1 100 . 3 1 1 A 16 16 SER CB C 16 63.380 63.298 0.082 1
1 102 . 3 1 1 A 16 16 SER C C 16 174.975 173.793 1.182 1
1 104 . 3 1 1 A 17 17 LYS N N 17 123.704 118.744 4.960 1
1 105 . 3 1 1 A 17 17 LYS H H 17 9.085 7.743 1.342 1
1 106 . 3 1 1 A 17 17 LYS CA C 17 56.964 56.617 0.347 1
1 107 . 3 1 1 A 17 17 LYS HA H 17 4.309 4.313 -0.004 1
1 108 . 3 1 1 A 17 17 LYS CB C 17 33.110 34.501 -1.391 1
1 116 . 3 1 1 A 17 17 LYS C C 17 176.454 177.876 -1.422 1
1 121 . 3 1 1 A 18 18 CYS N N 18 117.611 114.405 3.206 1
1 122 . 3 1 1 A 18 18 CYS H H 18 7.842 8.047 -0.205 1
1 123 . 3 1 1 A 18 18 CYS CA C 18 58.533 58.203 0.330 1
1 124 . 3 1 1 A 18 18 CYS HA H 18 4.959 4.637 0.322 1
1 125 . 3 1 1 A 18 18 CYS CB C 18 31.098 28.932 2.166 1
1 127 . 3 1 1 A 18 18 CYS C C 18 174.286 174.509 -0.223 1
1 129 . 3 1 1 A 19 19 GLN N N 19 115.380 116.241 -0.861 1
1 130 . 3 1 1 A 19 19 GLN H H 19 8.099 7.853 0.246 1
1 131 . 3 1 1 A 19 19 GLN CA C 19 58.073 57.052 1.021 1
1 132 . 3 1 1 A 19 19 GLN HA H 19 4.196 4.206 -0.010 1
1 133 . 3 1 1 A 19 19 GLN CB C 19 27.004 26.098 0.906 1
1 140 . 3 1 1 A 19 19 GLN C C 19 175.057 174.083 0.974 1
1 143 . 3 1 1 A 20 20 ALA N N 20 125.831 120.438 5.393 1
1 144 . 3 1 1 A 20 20 ALA H H 20 8.504 7.860 0.644 1
1 145 . 3 1 1 A 20 20 ALA CA C 20 53.802 50.798 3.004 1
1 146 . 3 1 1 A 20 20 ALA HA H 20 4.022 4.714 -0.692 1
1 147 . 3 1 1 A 20 20 ALA CB C 20 19.769 21.982 -2.213 1
1 151 . 3 1 1 A 20 20 ALA C C 20 176.208 176.593 -0.385 1
1 152 . 3 1 1 A 21 21 THR N N 21 110.430 108.592 1.838 1
1 153 . 3 1 1 A 21 21 THR H H 21 7.487 8.538 -1.051 1
1 154 . 3 1 1 A 21 21 THR CA C 21 59.643 59.371 0.272 1
1 155 . 3 1 1 A 21 21 THR HA H 21 5.057 5.476 -0.419 1
1 156 . 3 1 1 A 21 21 THR CB C 21 71.992 71.743 0.249 1
1 162 . 3 1 1 A 21 21 THR C C 21 172.921 173.445 -0.524 1
1 163 . 3 1 1 A 22 22 PHE N N 22 117.143 119.024 -1.881 1
1 164 . 3 1 1 A 22 22 PHE H H 22 8.666 8.917 -0.251 1
1 165 . 3 1 1 A 22 22 PHE CA C 22 57.117 56.308 0.809 1
1 166 . 3 1 1 A 22 22 PHE HA H 22 4.827 4.955 -0.128 1
1 167 . 3 1 1 A 22 22 PHE CB C 22 44.378 42.311 2.067 1
1 179 . 3 1 1 A 22 22 PHE C C 22 174.912 175.864 -0.952 1
1 181 . 3 1 1 A 23 23 ASN CA C 23 54.423 56.407 -1.984 1
1 182 . 3 1 1 A 23 23 ASN HA H 23 5.038 4.703 0.335 1
1 183 . 3 1 1 A 23 23 ASN CB C 23 39.624 39.800 -0.176 1
1 188 . 3 1 1 A 23 23 ASN C C 23 174.719 176.036 -1.317 1
1 190 . 3 1 1 A 24 24 LEU N N 24 116.814 118.230 -1.416 1
1 191 . 3 1 1 A 24 24 LEU H H 24 7.520 8.386 -0.866 1
1 192 . 3 1 1 A 24 24 LEU CA C 24 53.161 53.277 -0.116 1
1 193 . 3 1 1 A 24 24 LEU HA H 24 4.774 4.669 0.105 1
1 194 . 3 1 1 A 24 24 LEU CB C 24 44.687 44.066 0.621 1
1 206 . 3 1 1 A 24 24 LEU C C 24 177.051 177.138 -0.087 1
1 208 . 3 1 1 A 25 25 ARG N N 25 127.581 122.612 4.969 1
1 209 . 3 1 1 A 25 25 ARG H H 25 8.517 8.731 -0.214 1
1 210 . 3 1 1 A 25 25 ARG CA C 25 59.593 58.258 1.335 1
1 211 . 3 1 1 A 25 25 ARG HA H 25 2.822 3.104 -0.282 1
1 212 . 3 1 1 A 25 25 ARG CB C 25 29.135 29.443 -0.308 1
1 218 . 3 1 1 A 25 25 ARG C C 25 178.315 177.763 0.552 1
1 222 . 3 1 1 A 26 26 LYS N N 26 115.815 117.688 -1.873 1
1 223 . 3 1 1 A 26 26 LYS H H 26 8.495 8.016 0.479 1
1 224 . 3 1 1 A 26 26 LYS CA C 26 59.134 58.879 0.255 1
1 225 . 3 1 1 A 26 26 LYS HA H 26 3.842 4.020 -0.178 1
1 226 . 3 1 1 A 26 26 LYS CB C 26 31.632 32.016 -0.384 1
1 234 . 3 1 1 A 26 26 LYS C C 26 178.251 178.712 -0.461 1
1 239 . 3 1 1 A 27 27 HIS N N 27 117.633 119.061 -1.428 1
1 240 . 3 1 1 A 27 27 HIS H H 27 6.643 8.129 -1.486 1
1 241 . 3 1 1 A 27 27 HIS CA C 27 56.893 58.713 -1.820 1
1 242 . 3 1 1 A 27 27 HIS HA H 27 4.395 4.260 0.135 1
1 243 . 3 1 1 A 27 27 HIS CB C 27 31.346 29.948 1.398 1
1 249 . 3 1 1 A 27 27 HIS C C 27 178.052 177.299 0.753 1
1 251 . 3 1 1 A 28 28 LEU N N 28 122.685 120.350 2.335 1
1 252 . 3 1 1 A 28 28 LEU H H 28 6.932 7.499 -0.567 1
1 253 . 3 1 1 A 28 28 LEU CA C 28 57.937 58.024 -0.087 1
1 254 . 3 1 1 A 28 28 LEU HA H 28 3.236 2.917 0.319 1
1 255 . 3 1 1 A 28 28 LEU CB C 28 40.257 41.629 -1.372 1
1 267 . 3 1 1 A 28 28 LEU C C 28 177.710 178.327 -0.617 1
1 269 . 3 1 1 A 29 29 ILE N N 29 119.595 119.747 -0.152 1
1 270 . 3 1 1 A 29 29 ILE H H 29 8.045 7.641 0.404 1
1 271 . 3 1 1 A 29 29 ILE CA C 29 64.337 65.510 -1.173 1
1 272 . 3 1 1 A 29 29 ILE HA H 29 3.654 3.572 0.082 1
1 273 . 3 1 1 A 29 29 ILE CB C 29 37.272 37.601 -0.329 1
1 285 . 3 1 1 A 29 29 ILE C C 29 179.315 178.182 1.133 1
1 287 . 3 1 1 A 30 30 GLN N N 30 118.156 119.702 -1.546 1
1 288 . 3 1 1 A 30 30 GLN H H 30 7.507 7.811 -0.304 1
1 289 . 3 1 1 A 30 30 GLN CA C 30 58.708 59.049 -0.341 1
1 290 . 3 1 1 A 30 30 GLN HA H 30 3.924 3.877 0.047 1
1 291 . 3 1 1 A 30 30 GLN CB C 30 28.351 28.182 0.169 1
1 298 . 3 1 1 A 30 30 GLN C C 30 178.602 177.981 0.621 1
1 301 . 3 1 1 A 31 31 HIS N N 31 118.789 119.808 -1.019 1
1 302 . 3 1 1 A 31 31 HIS H H 31 7.691 7.978 -0.287 1
1 303 . 3 1 1 A 31 31 HIS CA C 31 59.054 59.621 -0.567 1
1 304 . 3 1 1 A 31 31 HIS HA H 31 4.208 4.232 -0.024 1
1 305 . 3 1 1 A 31 31 HIS CB C 31 28.726 29.631 -0.905 1
1 311 . 3 1 1 A 31 31 HIS C C 31 177.945 176.507 1.438 1
1 313 . 3 1 1 A 32 32 GLN N N 32 119.822 117.196 2.626 1
1 314 . 3 1 1 A 32 32 GLN H H 32 8.680 8.409 0.271 1
1 315 . 3 1 1 A 32 32 GLN CA C 32 59.589 59.132 0.457 1
1 316 . 3 1 1 A 32 32 GLN HA H 32 3.710 3.690 0.020 1
1 317 . 3 1 1 A 32 32 GLN CB C 32 27.916 28.260 -0.344 1
1 324 . 3 1 1 A 32 32 GLN C C 32 178.170 178.342 -0.172 1
1 327 . 3 1 1 A 33 33 LYS N N 33 118.224 119.349 -1.125 1
1 328 . 3 1 1 A 33 33 LYS H H 33 7.248 7.653 -0.405 1
1 329 . 3 1 1 A 33 33 LYS CA C 33 58.912 59.107 -0.195 1
1 330 . 3 1 1 A 33 33 LYS HA H 33 4.050 3.903 0.147 1
1 331 . 3 1 1 A 33 33 LYS CB C 33 32.160 32.130 0.030 1
1 338 . 3 1 1 A 33 33 LYS C C 33 178.506 178.570 -0.064 1
1 343 . 3 1 1 A 34 34 THR N N 34 109.843 114.313 -4.470 1
1 344 . 3 1 1 A 34 34 THR H H 34 7.690 8.017 -0.327 1
1 345 . 3 1 1 A 34 34 THR CA C 34 63.891 64.777 -0.886 1
1 346 . 3 1 1 A 34 34 THR HA H 34 4.047 3.875 0.172 1
1 347 . 3 1 1 A 34 34 THR CB C 34 69.205 68.877 0.328 1
1 353 . 3 1 1 A 34 34 THR C C 34 175.352 176.222 -0.870 1
1 354 . 3 1 1 A 35 35 HIS N N 35 117.905 116.420 1.485 1
1 355 . 3 1 1 A 35 35 HIS H H 35 6.998 7.623 -0.625 1
1 356 . 3 1 1 A 35 35 HIS CA C 35 55.067 59.107 -4.040 1
1 357 . 3 1 1 A 35 35 HIS HA H 35 4.763 4.284 0.479 1
1 358 . 3 1 1 A 35 35 HIS CB C 35 28.672 30.490 -1.818 1
1 364 . 3 1 1 A 35 35 HIS C C 35 174.592 176.106 -1.514 1
1 366 . 3 1 1 A 36 36 ALA N N 36 123.690 120.490 3.200 1
1 367 . 3 1 1 A 36 36 ALA H H 36 7.542 7.793 -0.251 1
1 368 . 3 1 1 A 36 36 ALA CA C 36 52.507 52.485 0.022 1
1 369 . 3 1 1 A 36 36 ALA HA H 36 4.247 4.036 0.211 1
1 370 . 3 1 1 A 36 36 ALA CB C 36 19.368 19.037 0.331 1
1 374 . 3 1 1 A 36 36 ALA C C 36 177.263 177.481 -0.218 1
1 375 . 3 1 1 A 37 37 ALA N N 37 123.646 125.762 -2.116 1
1 376 . 3 1 1 A 37 37 ALA H H 37 8.194 8.830 -0.636 1
1 377 . 3 1 1 A 37 37 ALA CA C 37 52.517 50.652 1.865 1
1 378 . 3 1 1 A 37 37 ALA HA H 37 4.244 5.025 -0.781 1
1 379 . 3 1 1 A 37 37 ALA CB C 37 19.181 24.319 -5.138 1
1 383 . 3 1 1 A 37 37 ALA C C 37 177.787 175.005 2.782 1
1 384 . 3 1 1 A 38 38 LYS N N 38 120.872 118.095 2.777 1
1 385 . 3 1 1 A 38 38 LYS H H 38 8.304 8.604 -0.300 1
1 386 . 3 1 1 A 38 38 LYS CA C 38 56.161 54.614 1.547 1
1 387 . 3 1 1 A 38 38 LYS HA H 38 4.304 4.782 -0.478 1
1 388 . 3 1 1 A 38 38 LYS CB C 38 33.014 34.974 -1.960 1
1 396 . 3 1 1 A 38 38 LYS C C 38 176.530 176.633 -0.103 1
1 401 . 3 1 1 A 40 40 GLY CA C 40 44.610 45.813 -1.203 1
1 402 . 3 1 1 A 40 40 GLY HA3 H 40 4.091 4.249 -0.158 1
1 403 . 3 1 1 A 40 40 GLY HA2 H 40 4.091 4.248 -0.157 1
1 404 . 3 1 1 A 41 41 PRO CA C 41 63.260 62.764 0.496 1
1 405 . 3 1 1 A 41 41 PRO HA H 41 4.424 4.486 -0.062 1
1 406 . 3 1 1 A 41 41 PRO CB C 41 32.165 31.716 0.449 1
1 415 . 3 1 1 A 43 43 SER CA C 43 58.325 57.638 0.687 1
1 416 . 3 1 1 A 43 43 SER HA H 43 4.444 4.388 0.056 1
1 417 . 3 1 1 A 43 43 SER CB C 43 64.067 62.338 1.729 1
1 419 . 3 1 1 A 43 43 SER C C 43 173.889 173.650 0.239 1
1 1 . 4 1 1 A 8 8 HIS CA C 8 56.286 55.721 0.565 1
1 2 . 4 1 1 A 8 8 HIS HA H 8 4.631 4.948 -0.317 1
1 3 . 4 1 1 A 8 8 HIS CB C 8 30.954 31.333 -0.379 1
1 10 . 4 1 1 A 9 9 THR CA C 9 61.910 62.489 -0.579 1
1 11 . 4 1 1 A 9 9 THR HA H 9 4.231 4.287 -0.056 1
1 12 . 4 1 1 A 9 9 THR CB C 9 69.722 67.390 2.332 1
1 18 . 4 1 1 A 9 9 THR C C 9 174.222 175.043 -0.821 1
1 19 . 4 1 1 A 10 10 ARG N N 10 124.169 122.996 1.173 1
1 20 . 4 1 1 A 10 10 ARG H H 10 8.328 8.100 0.228 1
1 21 . 4 1 1 A 10 10 ARG CA C 10 56.013 55.874 0.139 1
1 22 . 4 1 1 A 10 10 ARG HA H 10 4.251 4.472 -0.221 1
1 23 . 4 1 1 A 10 10 ARG CB C 10 30.838 29.745 1.093 1
1 29 . 4 1 1 A 10 10 ARG C C 10 175.968 176.823 -0.855 1
1 33 . 4 1 1 A 11 11 LYS N N 11 123.653 120.452 3.201 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.339 7.636 0.703 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 56.035 58.133 -2.098 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.174 4.139 0.035 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 32.967 32.395 0.572 1
1 44 . 4 1 1 A 11 11 LYS C C 11 175.763 176.213 -0.450 1
1 49 . 4 1 1 A 12 12 ARG N N 12 120.724 119.463 1.261 1
1 50 . 4 1 1 A 12 12 ARG H H 12 8.016 7.689 0.327 1
1 51 . 4 1 1 A 12 12 ARG CA C 12 56.275 54.396 1.879 1
1 52 . 4 1 1 A 12 12 ARG HA H 12 4.204 4.795 -0.591 1
1 53 . 4 1 1 A 12 12 ARG CB C 12 31.979 33.082 -1.103 1
1 59 . 4 1 1 A 12 12 ARG C C 12 175.087 175.338 -0.251 1
1 63 . 4 1 1 A 13 13 TYR N N 13 119.605 120.861 -1.256 1
1 64 . 4 1 1 A 13 13 TYR H H 13 8.559 8.928 -0.369 1
1 65 . 4 1 1 A 13 13 TYR CA C 13 57.661 59.252 -1.591 1
1 66 . 4 1 1 A 13 13 TYR HA H 13 4.601 4.736 -0.135 1
1 67 . 4 1 1 A 13 13 TYR CB C 13 39.557 39.229 0.328 1
1 77 . 4 1 1 A 13 13 TYR C C 13 174.706 176.200 -1.494 1
1 79 . 4 1 1 A 14 14 GLU N N 14 123.907 122.701 1.206 1
1 80 . 4 1 1 A 14 14 GLU H H 14 8.787 9.071 -0.284 1
1 81 . 4 1 1 A 14 14 GLU CA C 14 54.868 55.009 -0.141 1
1 82 . 4 1 1 A 14 14 GLU HA H 14 4.858 5.386 -0.528 1
1 83 . 4 1 1 A 14 14 GLU CB C 14 32.614 32.996 -0.382 1
1 87 . 4 1 1 A 14 14 GLU C C 14 175.009 175.006 0.003 1
1 90 . 4 1 1 A 15 15 CYS N N 15 126.801 123.028 3.773 1
1 91 . 4 1 1 A 15 15 CYS H H 15 8.846 8.956 -0.110 1
1 92 . 4 1 1 A 15 15 CYS CA C 15 59.805 57.485 2.320 1
1 93 . 4 1 1 A 15 15 CYS HA H 15 4.477 5.017 -0.540 1
1 94 . 4 1 1 A 15 15 CYS CB C 15 29.783 30.299 -0.516 1
1 96 . 4 1 1 A 15 15 CYS C C 15 176.142 175.860 0.282 1
1 98 . 4 1 1 A 16 16 SER CA C 16 60.236 58.234 2.002 1
1 99 . 4 1 1 A 16 16 SER HA H 16 4.429 4.769 -0.340 1
1 100 . 4 1 1 A 16 16 SER CB C 16 63.380 63.255 0.125 1
1 102 . 4 1 1 A 16 16 SER C C 16 174.975 174.728 0.247 1
1 104 . 4 1 1 A 17 17 LYS N N 17 123.704 119.052 4.652 1
1 105 . 4 1 1 A 17 17 LYS H H 17 9.085 7.871 1.214 1
1 106 . 4 1 1 A 17 17 LYS CA C 17 56.964 56.497 0.467 1
1 107 . 4 1 1 A 17 17 LYS HA H 17 4.309 4.419 -0.110 1
1 108 . 4 1 1 A 17 17 LYS CB C 17 33.110 35.014 -1.904 1
1 116 . 4 1 1 A 17 17 LYS C C 17 176.454 177.773 -1.319 1
1 121 . 4 1 1 A 18 18 CYS N N 18 117.611 113.801 3.810 1
1 122 . 4 1 1 A 18 18 CYS H H 18 7.842 7.944 -0.102 1
1 123 . 4 1 1 A 18 18 CYS CA C 18 58.533 58.362 0.171 1
1 124 . 4 1 1 A 18 18 CYS HA H 18 4.959 4.698 0.261 1
1 125 . 4 1 1 A 18 18 CYS CB C 18 31.098 29.753 1.345 1
1 127 . 4 1 1 A 18 18 CYS C C 18 174.286 174.816 -0.530 1
1 129 . 4 1 1 A 19 19 GLN N N 19 115.380 116.179 -0.799 1
1 130 . 4 1 1 A 19 19 GLN H H 19 8.099 8.039 0.060 1
1 131 . 4 1 1 A 19 19 GLN CA C 19 58.073 56.916 1.157 1
1 132 . 4 1 1 A 19 19 GLN HA H 19 4.196 4.251 -0.055 1
1 133 . 4 1 1 A 19 19 GLN CB C 19 27.004 26.262 0.742 1
1 140 . 4 1 1 A 19 19 GLN C C 19 175.057 174.656 0.401 1
1 143 . 4 1 1 A 20 20 ALA N N 20 125.831 120.205 5.626 1
1 144 . 4 1 1 A 20 20 ALA H H 20 8.504 7.809 0.695 1
1 145 . 4 1 1 A 20 20 ALA CA C 20 53.802 51.689 2.113 1
1 146 . 4 1 1 A 20 20 ALA HA H 20 4.022 4.366 -0.344 1
1 147 . 4 1 1 A 20 20 ALA CB C 20 19.769 20.191 -0.422 1
1 151 . 4 1 1 A 20 20 ALA C C 20 176.208 177.721 -1.513 1
1 152 . 4 1 1 A 21 21 THR N N 21 110.430 112.674 -2.244 1
1 153 . 4 1 1 A 21 21 THR H H 21 7.487 8.440 -0.953 1
1 154 . 4 1 1 A 21 21 THR CA C 21 59.643 60.580 -0.937 1
1 155 . 4 1 1 A 21 21 THR HA H 21 5.057 5.261 -0.204 1
1 156 . 4 1 1 A 21 21 THR CB C 21 71.992 70.398 1.594 1
1 162 . 4 1 1 A 21 21 THR C C 21 172.921 173.620 -0.699 1
1 163 . 4 1 1 A 22 22 PHE N N 22 117.143 119.498 -2.355 1
1 164 . 4 1 1 A 22 22 PHE H H 22 8.666 8.648 0.018 1
1 165 . 4 1 1 A 22 22 PHE CA C 22 57.117 56.481 0.636 1
1 166 . 4 1 1 A 22 22 PHE HA H 22 4.827 4.941 -0.114 1
1 167 . 4 1 1 A 22 22 PHE CB C 22 44.378 43.932 0.446 1
1 179 . 4 1 1 A 22 22 PHE C C 22 174.912 175.779 -0.867 1
1 181 . 4 1 1 A 23 23 ASN CA C 23 54.423 55.390 -0.967 1
1 182 . 4 1 1 A 23 23 ASN HA H 23 5.038 4.904 0.134 1
1 183 . 4 1 1 A 23 23 ASN CB C 23 39.624 39.954 -0.330 1
1 188 . 4 1 1 A 23 23 ASN C C 23 174.719 175.699 -0.980 1
1 190 . 4 1 1 A 24 24 LEU N N 24 116.814 117.378 -0.564 1
1 191 . 4 1 1 A 24 24 LEU H H 24 7.520 7.888 -0.368 1
1 192 . 4 1 1 A 24 24 LEU CA C 24 53.161 53.208 -0.047 1
1 193 . 4 1 1 A 24 24 LEU HA H 24 4.774 4.799 -0.025 1
1 194 . 4 1 1 A 24 24 LEU CB C 24 44.687 43.763 0.924 1
1 206 . 4 1 1 A 24 24 LEU C C 24 177.051 177.293 -0.242 1
1 208 . 4 1 1 A 25 25 ARG N N 25 127.581 123.110 4.471 1
1 209 . 4 1 1 A 25 25 ARG H H 25 8.517 8.797 -0.280 1
1 210 . 4 1 1 A 25 25 ARG CA C 25 59.593 58.534 1.059 1
1 211 . 4 1 1 A 25 25 ARG HA H 25 2.822 3.115 -0.293 1
1 212 . 4 1 1 A 25 25 ARG CB C 25 29.135 30.262 -1.127 1
1 218 . 4 1 1 A 25 25 ARG C C 25 178.315 177.962 0.353 1
1 222 . 4 1 1 A 26 26 LYS N N 26 115.815 117.804 -1.989 1
1 223 . 4 1 1 A 26 26 LYS H H 26 8.495 8.017 0.478 1
1 224 . 4 1 1 A 26 26 LYS CA C 26 59.134 58.573 0.561 1
1 225 . 4 1 1 A 26 26 LYS HA H 26 3.842 4.020 -0.178 1
1 226 . 4 1 1 A 26 26 LYS CB C 26 31.632 31.700 -0.068 1
1 234 . 4 1 1 A 26 26 LYS C C 26 178.251 178.430 -0.179 1
1 239 . 4 1 1 A 27 27 HIS N N 27 117.633 118.508 -0.875 1
1 240 . 4 1 1 A 27 27 HIS H H 27 6.643 7.953 -1.310 1
1 241 . 4 1 1 A 27 27 HIS CA C 27 56.893 59.086 -2.193 1
1 242 . 4 1 1 A 27 27 HIS HA H 27 4.395 4.281 0.114 1
1 243 . 4 1 1 A 27 27 HIS CB C 27 31.346 29.942 1.404 1
1 249 . 4 1 1 A 27 27 HIS C C 27 178.052 177.514 0.538 1
1 251 . 4 1 1 A 28 28 LEU N N 28 122.685 119.754 2.931 1
1 252 . 4 1 1 A 28 28 LEU H H 28 6.932 8.097 -1.165 1
1 253 . 4 1 1 A 28 28 LEU CA C 28 57.937 57.645 0.292 1
1 254 . 4 1 1 A 28 28 LEU HA H 28 3.236 2.964 0.272 1
1 255 . 4 1 1 A 28 28 LEU CB C 28 40.257 41.092 -0.835 1
1 267 . 4 1 1 A 28 28 LEU C C 28 177.710 178.365 -0.655 1
1 269 . 4 1 1 A 29 29 ILE N N 29 119.595 119.615 -0.020 1
1 270 . 4 1 1 A 29 29 ILE H H 29 8.045 7.737 0.308 1
1 271 . 4 1 1 A 29 29 ILE CA C 29 64.337 65.761 -1.424 1
1 272 . 4 1 1 A 29 29 ILE HA H 29 3.654 3.443 0.211 1
1 273 . 4 1 1 A 29 29 ILE CB C 29 37.272 37.907 -0.635 1
1 285 . 4 1 1 A 29 29 ILE C C 29 179.315 178.388 0.927 1
1 287 . 4 1 1 A 30 30 GLN N N 30 118.156 120.203 -2.047 1
1 288 . 4 1 1 A 30 30 GLN H H 30 7.507 7.763 -0.256 1
1 289 . 4 1 1 A 30 30 GLN CA C 30 58.708 58.987 -0.279 1
1 290 . 4 1 1 A 30 30 GLN HA H 30 3.924 3.904 0.020 1
1 291 . 4 1 1 A 30 30 GLN CB C 30 28.351 28.279 0.072 1
1 298 . 4 1 1 A 30 30 GLN C C 30 178.602 177.790 0.812 1
1 301 . 4 1 1 A 31 31 HIS N N 31 118.789 120.205 -1.416 1
1 302 . 4 1 1 A 31 31 HIS H H 31 7.691 7.784 -0.093 1
1 303 . 4 1 1 A 31 31 HIS CA C 31 59.054 59.750 -0.696 1
1 304 . 4 1 1 A 31 31 HIS HA H 31 4.208 4.271 -0.063 1
1 305 . 4 1 1 A 31 31 HIS CB C 31 28.726 29.731 -1.005 1
1 311 . 4 1 1 A 31 31 HIS C C 31 177.945 176.734 1.211 1
1 313 . 4 1 1 A 32 32 GLN N N 32 119.822 117.456 2.366 1
1 314 . 4 1 1 A 32 32 GLN H H 32 8.680 8.562 0.118 1
1 315 . 4 1 1 A 32 32 GLN CA C 32 59.589 59.416 0.173 1
1 316 . 4 1 1 A 32 32 GLN HA H 32 3.710 3.847 -0.137 1
1 317 . 4 1 1 A 32 32 GLN CB C 32 27.916 28.072 -0.156 1
1 324 . 4 1 1 A 32 32 GLN C C 32 178.170 178.643 -0.473 1
1 327 . 4 1 1 A 33 33 LYS N N 33 118.224 119.458 -1.234 1
1 328 . 4 1 1 A 33 33 LYS H H 33 7.248 7.708 -0.460 1
1 329 . 4 1 1 A 33 33 LYS CA C 33 58.912 59.449 -0.537 1
1 330 . 4 1 1 A 33 33 LYS HA H 33 4.050 3.927 0.123 1
1 331 . 4 1 1 A 33 33 LYS CB C 33 32.160 32.447 -0.287 1
1 338 . 4 1 1 A 33 33 LYS C C 33 178.506 178.384 0.122 1
1 343 . 4 1 1 A 34 34 THR N N 34 109.843 112.368 -2.525 1
1 344 . 4 1 1 A 34 34 THR H H 34 7.690 8.021 -0.331 1
1 345 . 4 1 1 A 34 34 THR CA C 34 63.891 65.508 -1.617 1
1 346 . 4 1 1 A 34 34 THR HA H 34 4.047 3.951 0.096 1
1 347 . 4 1 1 A 34 34 THR CB C 34 69.205 67.912 1.293 1
1 353 . 4 1 1 A 34 34 THR C C 34 175.352 177.081 -1.729 1
1 354 . 4 1 1 A 35 35 HIS N N 35 117.905 119.557 -1.652 1
1 355 . 4 1 1 A 35 35 HIS H H 35 6.998 7.847 -0.849 1
1 356 . 4 1 1 A 35 35 HIS CA C 35 55.067 59.228 -4.161 1
1 357 . 4 1 1 A 35 35 HIS HA H 35 4.763 4.326 0.437 1
1 358 . 4 1 1 A 35 35 HIS CB C 35 28.672 29.800 -1.128 1
1 364 . 4 1 1 A 35 35 HIS C C 35 174.592 174.538 0.054 1
1 366 . 4 1 1 A 36 36 ALA N N 36 123.690 120.590 3.100 1
1 367 . 4 1 1 A 36 36 ALA H H 36 7.542 7.822 -0.280 1
1 368 . 4 1 1 A 36 36 ALA CA C 36 52.507 53.125 -0.618 1
1 369 . 4 1 1 A 36 36 ALA HA H 36 4.247 3.829 0.418 1
1 370 . 4 1 1 A 36 36 ALA CB C 36 19.368 17.148 2.220 1
1 374 . 4 1 1 A 36 36 ALA C C 36 177.263 176.538 0.725 1
1 375 . 4 1 1 A 37 37 ALA N N 37 123.646 118.926 4.720 1
1 376 . 4 1 1 A 37 37 ALA H H 37 8.194 7.794 0.400 1
1 377 . 4 1 1 A 37 37 ALA CA C 37 52.517 52.378 0.139 1
1 378 . 4 1 1 A 37 37 ALA HA H 37 4.244 4.419 -0.175 1
1 379 . 4 1 1 A 37 37 ALA CB C 37 19.181 20.361 -1.180 1
1 383 . 4 1 1 A 37 37 ALA C C 37 177.787 176.568 1.219 1
1 384 . 4 1 1 A 38 38 LYS N N 38 120.872 116.118 4.754 1
1 385 . 4 1 1 A 38 38 LYS H H 38 8.304 8.758 -0.454 1
1 386 . 4 1 1 A 38 38 LYS CA C 38 56.161 55.108 1.053 1
1 387 . 4 1 1 A 38 38 LYS HA H 38 4.304 4.933 -0.629 1
1 388 . 4 1 1 A 38 38 LYS CB C 38 33.014 35.647 -2.633 1
1 396 . 4 1 1 A 38 38 LYS C C 38 176.530 175.892 0.638 1
1 401 . 4 1 1 A 40 40 GLY CA C 40 44.610 44.805 -0.195 1
1 402 . 4 1 1 A 40 40 GLY HA3 H 40 4.091 4.139 -0.048 1
1 403 . 4 1 1 A 40 40 GLY HA2 H 40 4.091 4.139 -0.048 1
1 404 . 4 1 1 A 41 41 PRO CA C 41 63.260 62.450 0.810 1
1 405 . 4 1 1 A 41 41 PRO HA H 41 4.424 4.522 -0.098 1
1 406 . 4 1 1 A 41 41 PRO CB C 41 32.165 33.308 -1.143 1
1 415 . 4 1 1 A 43 43 SER CA C 43 58.325 57.722 0.603 1
1 416 . 4 1 1 A 43 43 SER HA H 43 4.444 4.912 -0.468 1
1 417 . 4 1 1 A 43 43 SER CB C 43 64.067 67.292 -3.225 1
1 419 . 4 1 1 A 43 43 SER C C 43 173.889 174.405 -0.516 1
1 1 . 5 1 1 A 8 8 HIS CA C 8 56.286 56.738 -0.452 1
1 2 . 5 1 1 A 8 8 HIS HA H 8 4.631 4.216 0.415 1
1 3 . 5 1 1 A 8 8 HIS CB C 8 30.954 28.608 2.346 1
1 10 . 5 1 1 A 9 9 THR CA C 9 61.910 60.550 1.360 1
1 11 . 5 1 1 A 9 9 THR HA H 9 4.231 4.489 -0.258 1
1 12 . 5 1 1 A 9 9 THR CB C 9 69.722 68.464 1.258 1
1 18 . 5 1 1 A 9 9 THR C C 9 174.222 174.643 -0.421 1
1 19 . 5 1 1 A 10 10 ARG N N 10 124.169 121.323 2.846 1
1 20 . 5 1 1 A 10 10 ARG H H 10 8.328 7.547 0.781 1
1 21 . 5 1 1 A 10 10 ARG CA C 10 56.013 54.997 1.016 1
1 22 . 5 1 1 A 10 10 ARG HA H 10 4.251 4.503 -0.252 1
1 23 . 5 1 1 A 10 10 ARG CB C 10 30.838 29.839 0.999 1
1 29 . 5 1 1 A 10 10 ARG C C 10 175.968 175.607 0.361 1
1 33 . 5 1 1 A 11 11 LYS N N 11 123.653 120.512 3.141 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.339 7.566 0.773 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 56.035 56.686 -0.651 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.174 4.295 -0.121 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 32.967 33.455 -0.488 1
1 44 . 5 1 1 A 11 11 LYS C C 11 175.763 175.787 -0.024 1
1 49 . 5 1 1 A 12 12 ARG N N 12 120.724 118.820 1.904 1
1 50 . 5 1 1 A 12 12 ARG H H 12 8.016 8.862 -0.846 1
1 51 . 5 1 1 A 12 12 ARG CA C 12 56.275 55.143 1.132 1
1 52 . 5 1 1 A 12 12 ARG HA H 12 4.204 4.925 -0.721 1
1 53 . 5 1 1 A 12 12 ARG CB C 12 31.979 33.585 -1.606 1
1 59 . 5 1 1 A 12 12 ARG C C 12 175.087 174.868 0.219 1
1 63 . 5 1 1 A 13 13 TYR N N 13 119.605 122.687 -3.082 1
1 64 . 5 1 1 A 13 13 TYR H H 13 8.559 8.525 0.034 1
1 65 . 5 1 1 A 13 13 TYR CA C 13 57.661 59.677 -2.016 1
1 66 . 5 1 1 A 13 13 TYR HA H 13 4.601 4.465 0.136 1
1 67 . 5 1 1 A 13 13 TYR CB C 13 39.557 39.288 0.269 1
1 77 . 5 1 1 A 13 13 TYR C C 13 174.706 176.012 -1.306 1
1 79 . 5 1 1 A 14 14 GLU N N 14 123.907 124.059 -0.152 1
1 80 . 5 1 1 A 14 14 GLU H H 14 8.787 8.973 -0.186 1
1 81 . 5 1 1 A 14 14 GLU CA C 14 54.868 54.782 0.086 1
1 82 . 5 1 1 A 14 14 GLU HA H 14 4.858 5.230 -0.372 1
1 83 . 5 1 1 A 14 14 GLU CB C 14 32.614 32.478 0.136 1
1 87 . 5 1 1 A 14 14 GLU C C 14 175.009 175.553 -0.544 1
1 90 . 5 1 1 A 15 15 CYS N N 15 126.801 125.708 1.093 1
1 91 . 5 1 1 A 15 15 CYS H H 15 8.846 8.713 0.133 1
1 92 . 5 1 1 A 15 15 CYS CA C 15 59.805 59.928 -0.123 1
1 93 . 5 1 1 A 15 15 CYS HA H 15 4.477 4.587 -0.110 1
1 94 . 5 1 1 A 15 15 CYS CB C 15 29.783 28.657 1.126 1
1 96 . 5 1 1 A 15 15 CYS C C 15 176.142 175.863 0.279 1
1 98 . 5 1 1 A 16 16 SER CA C 16 60.236 58.374 1.862 1
1 99 . 5 1 1 A 16 16 SER HA H 16 4.429 4.732 -0.303 1
1 100 . 5 1 1 A 16 16 SER CB C 16 63.380 63.399 -0.019 1
1 102 . 5 1 1 A 16 16 SER C C 16 174.975 174.660 0.315 1
1 104 . 5 1 1 A 17 17 LYS N N 17 123.704 119.180 4.524 1
1 105 . 5 1 1 A 17 17 LYS H H 17 9.085 7.849 1.236 1
1 106 . 5 1 1 A 17 17 LYS CA C 17 56.964 56.510 0.454 1
1 107 . 5 1 1 A 17 17 LYS HA H 17 4.309 4.365 -0.056 1
1 108 . 5 1 1 A 17 17 LYS CB C 17 33.110 35.066 -1.956 1
1 116 . 5 1 1 A 17 17 LYS C C 17 176.454 177.700 -1.246 1
1 121 . 5 1 1 A 18 18 CYS N N 18 117.611 113.558 4.053 1
1 122 . 5 1 1 A 18 18 CYS H H 18 7.842 7.932 -0.090 1
1 123 . 5 1 1 A 18 18 CYS CA C 18 58.533 58.350 0.183 1
1 124 . 5 1 1 A 18 18 CYS HA H 18 4.959 4.646 0.313 1
1 125 . 5 1 1 A 18 18 CYS CB C 18 31.098 29.548 1.550 1
1 127 . 5 1 1 A 18 18 CYS C C 18 174.286 174.630 -0.344 1
1 129 . 5 1 1 A 19 19 GLN N N 19 115.380 116.120 -0.740 1
1 130 . 5 1 1 A 19 19 GLN H H 19 8.099 7.933 0.166 1
1 131 . 5 1 1 A 19 19 GLN CA C 19 58.073 57.007 1.066 1
1 132 . 5 1 1 A 19 19 GLN HA H 19 4.196 3.986 0.210 1
1 133 . 5 1 1 A 19 19 GLN CB C 19 27.004 26.085 0.919 1
1 140 . 5 1 1 A 19 19 GLN C C 19 175.057 174.130 0.927 1
1 143 . 5 1 1 A 20 20 ALA N N 20 125.831 120.425 5.406 1
1 144 . 5 1 1 A 20 20 ALA H H 20 8.504 7.843 0.661 1
1 145 . 5 1 1 A 20 20 ALA CA C 20 53.802 51.037 2.765 1
1 146 . 5 1 1 A 20 20 ALA HA H 20 4.022 4.623 -0.601 1
1 147 . 5 1 1 A 20 20 ALA CB C 20 19.769 21.240 -1.471 1
1 151 . 5 1 1 A 20 20 ALA C C 20 176.208 176.167 0.041 1
1 152 . 5 1 1 A 21 21 THR N N 21 110.430 106.151 4.279 1
1 153 . 5 1 1 A 21 21 THR H H 21 7.487 8.175 -0.688 1
1 154 . 5 1 1 A 21 21 THR CA C 21 59.643 59.993 -0.350 1
1 155 . 5 1 1 A 21 21 THR HA H 21 5.057 5.579 -0.522 1
1 156 . 5 1 1 A 21 21 THR CB C 21 71.992 72.361 -0.369 1
1 162 . 5 1 1 A 21 21 THR C C 21 172.921 173.284 -0.363 1
1 163 . 5 1 1 A 22 22 PHE N N 22 117.143 118.445 -1.302 1
1 164 . 5 1 1 A 22 22 PHE H H 22 8.666 8.560 0.106 1
1 165 . 5 1 1 A 22 22 PHE CA C 22 57.117 56.515 0.602 1
1 166 . 5 1 1 A 22 22 PHE HA H 22 4.827 4.934 -0.107 1
1 167 . 5 1 1 A 22 22 PHE CB C 22 44.378 42.913 1.465 1
1 179 . 5 1 1 A 22 22 PHE C C 22 174.912 175.677 -0.765 1
1 181 . 5 1 1 A 23 23 ASN CA C 23 54.423 55.790 -1.367 1
1 182 . 5 1 1 A 23 23 ASN HA H 23 5.038 4.687 0.351 1
1 183 . 5 1 1 A 23 23 ASN CB C 23 39.624 38.837 0.787 1
1 188 . 5 1 1 A 23 23 ASN C C 23 174.719 175.034 -0.315 1
1 190 . 5 1 1 A 24 24 LEU N N 24 116.814 117.846 -1.032 1
1 191 . 5 1 1 A 24 24 LEU H H 24 7.520 8.241 -0.721 1
1 192 . 5 1 1 A 24 24 LEU CA C 24 53.161 53.346 -0.185 1
1 193 . 5 1 1 A 24 24 LEU HA H 24 4.774 4.569 0.205 1
1 194 . 5 1 1 A 24 24 LEU CB C 24 44.687 43.562 1.125 1
1 206 . 5 1 1 A 24 24 LEU C C 24 177.051 177.072 -0.021 1
1 208 . 5 1 1 A 25 25 ARG N N 25 127.581 123.322 4.259 1
1 209 . 5 1 1 A 25 25 ARG H H 25 8.517 8.867 -0.350 1
1 210 . 5 1 1 A 25 25 ARG CA C 25 59.593 59.012 0.581 1
1 211 . 5 1 1 A 25 25 ARG HA H 25 2.822 2.766 0.056 1
1 212 . 5 1 1 A 25 25 ARG CB C 25 29.135 29.866 -0.731 1
1 218 . 5 1 1 A 25 25 ARG C C 25 178.315 177.919 0.396 1
1 222 . 5 1 1 A 26 26 LYS N N 26 115.815 117.641 -1.826 1
1 223 . 5 1 1 A 26 26 LYS H H 26 8.495 8.060 0.435 1
1 224 . 5 1 1 A 26 26 LYS CA C 26 59.134 58.705 0.429 1
1 225 . 5 1 1 A 26 26 LYS HA H 26 3.842 4.039 -0.197 1
1 226 . 5 1 1 A 26 26 LYS CB C 26 31.632 31.629 0.003 1
1 234 . 5 1 1 A 26 26 LYS C C 26 178.251 178.465 -0.214 1
1 239 . 5 1 1 A 27 27 HIS N N 27 117.633 118.579 -0.946 1
1 240 . 5 1 1 A 27 27 HIS H H 27 6.643 7.947 -1.304 1
1 241 . 5 1 1 A 27 27 HIS CA C 27 56.893 59.147 -2.254 1
1 242 . 5 1 1 A 27 27 HIS HA H 27 4.395 4.305 0.090 1
1 243 . 5 1 1 A 27 27 HIS CB C 27 31.346 30.078 1.268 1
1 249 . 5 1 1 A 27 27 HIS C C 27 178.052 177.153 0.899 1
1 251 . 5 1 1 A 28 28 LEU N N 28 122.685 120.316 2.369 1
1 252 . 5 1 1 A 28 28 LEU H H 28 6.932 8.049 -1.117 1
1 253 . 5 1 1 A 28 28 LEU CA C 28 57.937 57.893 0.044 1
1 254 . 5 1 1 A 28 28 LEU HA H 28 3.236 2.833 0.403 1
1 255 . 5 1 1 A 28 28 LEU CB C 28 40.257 41.509 -1.252 1
1 267 . 5 1 1 A 28 28 LEU C C 28 177.710 178.495 -0.785 1
1 269 . 5 1 1 A 29 29 ILE N N 29 119.595 119.861 -0.266 1
1 270 . 5 1 1 A 29 29 ILE H H 29 8.045 7.543 0.502 1
1 271 . 5 1 1 A 29 29 ILE CA C 29 64.337 65.763 -1.426 1
1 272 . 5 1 1 A 29 29 ILE HA H 29 3.654 3.507 0.147 1
1 273 . 5 1 1 A 29 29 ILE CB C 29 37.272 37.678 -0.406 1
1 285 . 5 1 1 A 29 29 ILE C C 29 179.315 178.226 1.089 1
1 287 . 5 1 1 A 30 30 GLN N N 30 118.156 120.000 -1.844 1
1 288 . 5 1 1 A 30 30 GLN H H 30 7.507 7.781 -0.274 1
1 289 . 5 1 1 A 30 30 GLN CA C 30 58.708 59.053 -0.345 1
1 290 . 5 1 1 A 30 30 GLN HA H 30 3.924 3.863 0.061 1
1 291 . 5 1 1 A 30 30 GLN CB C 30 28.351 28.597 -0.246 1
1 298 . 5 1 1 A 30 30 GLN C C 30 178.602 177.713 0.889 1
1 301 . 5 1 1 A 31 31 HIS N N 31 118.789 119.872 -1.083 1
1 302 . 5 1 1 A 31 31 HIS H H 31 7.691 7.577 0.114 1
1 303 . 5 1 1 A 31 31 HIS CA C 31 59.054 59.919 -0.865 1
1 304 . 5 1 1 A 31 31 HIS HA H 31 4.208 4.196 0.012 1
1 305 . 5 1 1 A 31 31 HIS CB C 31 28.726 29.825 -1.099 1
1 311 . 5 1 1 A 31 31 HIS C C 31 177.945 176.464 1.481 1
1 313 . 5 1 1 A 32 32 GLN N N 32 119.822 117.069 2.753 1
1 314 . 5 1 1 A 32 32 GLN H H 32 8.680 8.464 0.216 1
1 315 . 5 1 1 A 32 32 GLN CA C 32 59.589 59.143 0.446 1
1 316 . 5 1 1 A 32 32 GLN HA H 32 3.710 3.861 -0.151 1
1 317 . 5 1 1 A 32 32 GLN CB C 32 27.916 28.384 -0.468 1
1 324 . 5 1 1 A 32 32 GLN C C 32 178.170 178.650 -0.480 1
1 327 . 5 1 1 A 33 33 LYS N N 33 118.224 119.268 -1.044 1
1 328 . 5 1 1 A 33 33 LYS H H 33 7.248 7.618 -0.370 1
1 329 . 5 1 1 A 33 33 LYS CA C 33 58.912 59.156 -0.244 1
1 330 . 5 1 1 A 33 33 LYS HA H 33 4.050 3.884 0.166 1
1 331 . 5 1 1 A 33 33 LYS CB C 33 32.160 32.324 -0.164 1
1 338 . 5 1 1 A 33 33 LYS C C 33 178.506 178.478 0.028 1
1 343 . 5 1 1 A 34 34 THR N N 34 109.843 112.565 -2.722 1
1 344 . 5 1 1 A 34 34 THR H H 34 7.690 8.436 -0.746 1
1 345 . 5 1 1 A 34 34 THR CA C 34 63.891 65.329 -1.438 1
1 346 . 5 1 1 A 34 34 THR HA H 34 4.047 3.902 0.145 1
1 347 . 5 1 1 A 34 34 THR CB C 34 69.205 67.818 1.387 1
1 353 . 5 1 1 A 34 34 THR C C 34 175.352 177.095 -1.743 1
1 354 . 5 1 1 A 35 35 HIS N N 35 117.905 119.859 -1.954 1
1 355 . 5 1 1 A 35 35 HIS H H 35 6.998 7.927 -0.929 1
1 356 . 5 1 1 A 35 35 HIS CA C 35 55.067 60.000 -4.933 1
1 357 . 5 1 1 A 35 35 HIS HA H 35 4.763 4.264 0.499 1
1 358 . 5 1 1 A 35 35 HIS CB C 35 28.672 29.542 -0.870 1
1 364 . 5 1 1 A 35 35 HIS C C 35 174.592 177.754 -3.162 1
1 366 . 5 1 1 A 36 36 ALA N N 36 123.690 121.205 2.485 1
1 367 . 5 1 1 A 36 36 ALA H H 36 7.542 7.772 -0.230 1
1 368 . 5 1 1 A 36 36 ALA CA C 36 52.507 55.180 -2.673 1
1 369 . 5 1 1 A 36 36 ALA HA H 36 4.247 4.064 0.183 1
1 370 . 5 1 1 A 36 36 ALA CB C 36 19.368 19.126 0.242 1
1 374 . 5 1 1 A 36 36 ALA C C 36 177.263 177.942 -0.679 1
1 375 . 5 1 1 A 37 37 ALA N N 37 123.646 119.770 3.876 1
1 376 . 5 1 1 A 37 37 ALA H H 37 8.194 7.888 0.306 1
1 377 . 5 1 1 A 37 37 ALA CA C 37 52.517 50.869 1.648 1
1 378 . 5 1 1 A 37 37 ALA HA H 37 4.244 4.638 -0.394 1
1 379 . 5 1 1 A 37 37 ALA CB C 37 19.181 20.324 -1.143 1
1 383 . 5 1 1 A 37 37 ALA C C 37 177.787 175.855 1.932 1
1 384 . 5 1 1 A 38 38 LYS N N 38 120.872 125.736 -4.864 1
1 385 . 5 1 1 A 38 38 LYS H H 38 8.304 9.211 -0.907 1
1 386 . 5 1 1 A 38 38 LYS CA C 38 56.161 54.874 1.287 1
1 387 . 5 1 1 A 38 38 LYS HA H 38 4.304 4.657 -0.353 1
1 388 . 5 1 1 A 38 38 LYS CB C 38 33.014 33.165 -0.151 1
1 396 . 5 1 1 A 38 38 LYS C C 38 176.530 175.746 0.784 1
1 401 . 5 1 1 A 40 40 GLY CA C 40 44.610 46.982 -2.372 1
1 402 . 5 1 1 A 40 40 GLY HA3 H 40 4.091 3.889 0.202 1
1 403 . 5 1 1 A 40 40 GLY HA2 H 40 4.091 3.885 0.206 1
1 404 . 5 1 1 A 41 41 PRO CA C 41 63.260 62.575 0.685 1
1 405 . 5 1 1 A 41 41 PRO HA H 41 4.424 4.593 -0.169 1
1 406 . 5 1 1 A 41 41 PRO CB C 41 32.165 30.667 1.498 1
1 415 . 5 1 1 A 43 43 SER CA C 43 58.325 61.841 -3.516 1
1 416 . 5 1 1 A 43 43 SER HA H 43 4.444 4.111 0.333 1
1 417 . 5 1 1 A 43 43 SER CB C 43 64.067 63.561 0.506 1
1 419 . 5 1 1 A 43 43 SER C C 43 173.889 175.155 -1.266 1
1 1 . 6 1 1 A 8 8 HIS CA C 8 56.286 58.065 -1.779 1
1 2 . 6 1 1 A 8 8 HIS HA H 8 4.631 4.369 0.262 1
1 3 . 6 1 1 A 8 8 HIS CB C 8 30.954 30.441 0.513 1
1 10 . 6 1 1 A 9 9 THR CA C 9 61.910 63.068 -1.158 1
1 11 . 6 1 1 A 9 9 THR HA H 9 4.231 3.919 0.312 1
1 12 . 6 1 1 A 9 9 THR CB C 9 69.722 66.662 3.060 1
1 18 . 6 1 1 A 9 9 THR C C 9 174.222 174.153 0.069 1
1 19 . 6 1 1 A 10 10 ARG N N 10 124.169 121.296 2.873 1
1 20 . 6 1 1 A 10 10 ARG H H 10 8.328 7.816 0.512 1
1 21 . 6 1 1 A 10 10 ARG CA C 10 56.013 55.430 0.583 1
1 22 . 6 1 1 A 10 10 ARG HA H 10 4.251 4.693 -0.442 1
1 23 . 6 1 1 A 10 10 ARG CB C 10 30.838 31.444 -0.606 1
1 29 . 6 1 1 A 10 10 ARG C C 10 175.968 176.235 -0.267 1
1 33 . 6 1 1 A 11 11 LYS N N 11 123.653 121.249 2.404 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.339 8.901 -0.562 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 56.035 55.586 0.449 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.174 4.547 -0.373 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 32.967 33.642 -0.675 1
1 44 . 6 1 1 A 11 11 LYS C C 11 175.763 175.877 -0.114 1
1 49 . 6 1 1 A 12 12 ARG N N 12 120.724 117.074 3.650 1
1 50 . 6 1 1 A 12 12 ARG H H 12 8.016 7.723 0.293 1
1 51 . 6 1 1 A 12 12 ARG CA C 12 56.275 54.248 2.027 1
1 52 . 6 1 1 A 12 12 ARG HA H 12 4.204 4.987 -0.783 1
1 53 . 6 1 1 A 12 12 ARG CB C 12 31.979 33.547 -1.568 1
1 59 . 6 1 1 A 12 12 ARG C C 12 175.087 174.062 1.025 1
1 63 . 6 1 1 A 13 13 TYR N N 13 119.605 118.162 1.443 1
1 64 . 6 1 1 A 13 13 TYR H H 13 8.559 8.644 -0.085 1
1 65 . 6 1 1 A 13 13 TYR CA C 13 57.661 57.193 0.468 1
1 66 . 6 1 1 A 13 13 TYR HA H 13 4.601 5.247 -0.646 1
1 67 . 6 1 1 A 13 13 TYR CB C 13 39.557 40.851 -1.294 1
1 77 . 6 1 1 A 13 13 TYR C C 13 174.706 175.541 -0.835 1
1 79 . 6 1 1 A 14 14 GLU N N 14 123.907 122.278 1.629 1
1 80 . 6 1 1 A 14 14 GLU H H 14 8.787 8.878 -0.091 1
1 81 . 6 1 1 A 14 14 GLU CA C 14 54.868 54.834 0.034 1
1 82 . 6 1 1 A 14 14 GLU HA H 14 4.858 5.496 -0.638 1
1 83 . 6 1 1 A 14 14 GLU CB C 14 32.614 32.577 0.037 1
1 87 . 6 1 1 A 14 14 GLU C C 14 175.009 175.767 -0.758 1
1 90 . 6 1 1 A 15 15 CYS N N 15 126.801 122.950 3.851 1
1 91 . 6 1 1 A 15 15 CYS H H 15 8.846 8.951 -0.105 1
1 92 . 6 1 1 A 15 15 CYS CA C 15 59.805 58.749 1.056 1
1 93 . 6 1 1 A 15 15 CYS HA H 15 4.477 4.916 -0.439 1
1 94 . 6 1 1 A 15 15 CYS CB C 15 29.783 29.394 0.389 1
1 96 . 6 1 1 A 15 15 CYS C C 15 176.142 174.908 1.234 1
1 98 . 6 1 1 A 16 16 SER CA C 16 60.236 60.385 -0.149 1
1 99 . 6 1 1 A 16 16 SER HA H 16 4.429 4.701 -0.272 1
1 100 . 6 1 1 A 16 16 SER CB C 16 63.380 63.913 -0.533 1
1 102 . 6 1 1 A 16 16 SER C C 16 174.975 175.417 -0.442 1
1 104 . 6 1 1 A 17 17 LYS N N 17 123.704 120.654 3.050 1
1 105 . 6 1 1 A 17 17 LYS H H 17 9.085 7.711 1.374 1
1 106 . 6 1 1 A 17 17 LYS CA C 17 56.964 58.949 -1.985 1
1 107 . 6 1 1 A 17 17 LYS HA H 17 4.309 4.018 0.291 1
1 108 . 6 1 1 A 17 17 LYS CB C 17 33.110 32.319 0.791 1
1 116 . 6 1 1 A 17 17 LYS C C 17 176.454 178.691 -2.237 1
1 121 . 6 1 1 A 18 18 CYS N N 18 117.611 116.407 1.204 1
1 122 . 6 1 1 A 18 18 CYS H H 18 7.842 7.811 0.031 1
1 123 . 6 1 1 A 18 18 CYS CA C 18 58.533 59.811 -1.278 1
1 124 . 6 1 1 A 18 18 CYS HA H 18 4.959 4.480 0.479 1
1 125 . 6 1 1 A 18 18 CYS CB C 18 31.098 28.629 2.469 1
1 127 . 6 1 1 A 18 18 CYS C C 18 174.286 174.759 -0.473 1
1 129 . 6 1 1 A 19 19 GLN N N 19 115.380 116.396 -1.016 1
1 130 . 6 1 1 A 19 19 GLN H H 19 8.099 8.013 0.086 1
1 131 . 6 1 1 A 19 19 GLN CA C 19 58.073 56.967 1.106 1
1 132 . 6 1 1 A 19 19 GLN HA H 19 4.196 4.323 -0.127 1
1 133 . 6 1 1 A 19 19 GLN CB C 19 27.004 26.176 0.828 1
1 140 . 6 1 1 A 19 19 GLN C C 19 175.057 174.440 0.617 1
1 143 . 6 1 1 A 20 20 ALA N N 20 125.831 120.461 5.370 1
1 144 . 6 1 1 A 20 20 ALA H H 20 8.504 7.459 1.045 1
1 145 . 6 1 1 A 20 20 ALA CA C 20 53.802 51.673 2.129 1
1 146 . 6 1 1 A 20 20 ALA HA H 20 4.022 4.537 -0.515 1
1 147 . 6 1 1 A 20 20 ALA CB C 20 19.769 20.918 -1.149 1
1 151 . 6 1 1 A 20 20 ALA C C 20 176.208 176.882 -0.674 1
1 152 . 6 1 1 A 21 21 THR N N 21 110.430 108.739 1.691 1
1 153 . 6 1 1 A 21 21 THR H H 21 7.487 8.498 -1.011 1
1 154 . 6 1 1 A 21 21 THR CA C 21 59.643 59.296 0.347 1
1 155 . 6 1 1 A 21 21 THR HA H 21 5.057 5.676 -0.619 1
1 156 . 6 1 1 A 21 21 THR CB C 21 71.992 71.753 0.239 1
1 162 . 6 1 1 A 21 21 THR C C 21 172.921 173.406 -0.485 1
1 163 . 6 1 1 A 22 22 PHE N N 22 117.143 119.238 -2.095 1
1 164 . 6 1 1 A 22 22 PHE H H 22 8.666 8.700 -0.034 1
1 165 . 6 1 1 A 22 22 PHE CA C 22 57.117 56.311 0.806 1
1 166 . 6 1 1 A 22 22 PHE HA H 22 4.827 4.945 -0.118 1
1 167 . 6 1 1 A 22 22 PHE CB C 22 44.378 42.097 2.281 1
1 179 . 6 1 1 A 22 22 PHE C C 22 174.912 175.793 -0.881 1
1 181 . 6 1 1 A 23 23 ASN CA C 23 54.423 56.347 -1.924 1
1 182 . 6 1 1 A 23 23 ASN HA H 23 5.038 4.698 0.340 1
1 183 . 6 1 1 A 23 23 ASN CB C 23 39.624 39.722 -0.098 1
1 188 . 6 1 1 A 23 23 ASN C C 23 174.719 175.939 -1.220 1
1 190 . 6 1 1 A 24 24 LEU N N 24 116.814 118.308 -1.494 1
1 191 . 6 1 1 A 24 24 LEU H H 24 7.520 8.146 -0.626 1
1 192 . 6 1 1 A 24 24 LEU CA C 24 53.161 53.758 -0.597 1
1 193 . 6 1 1 A 24 24 LEU HA H 24 4.774 4.419 0.355 1
1 194 . 6 1 1 A 24 24 LEU CB C 24 44.687 42.764 1.923 1
1 206 . 6 1 1 A 24 24 LEU C C 24 177.051 176.959 0.092 1
1 208 . 6 1 1 A 25 25 ARG N N 25 127.581 124.631 2.950 1
1 209 . 6 1 1 A 25 25 ARG H H 25 8.517 8.719 -0.202 1
1 210 . 6 1 1 A 25 25 ARG CA C 25 59.593 59.512 0.081 1
1 211 . 6 1 1 A 25 25 ARG HA H 25 2.822 3.214 -0.392 1
1 212 . 6 1 1 A 25 25 ARG CB C 25 29.135 29.637 -0.502 1
1 218 . 6 1 1 A 25 25 ARG C C 25 178.315 177.622 0.693 1
1 222 . 6 1 1 A 26 26 LYS N N 26 115.815 117.713 -1.898 1
1 223 . 6 1 1 A 26 26 LYS H H 26 8.495 8.121 0.374 1
1 224 . 6 1 1 A 26 26 LYS CA C 26 59.134 58.541 0.593 1
1 225 . 6 1 1 A 26 26 LYS HA H 26 3.842 4.078 -0.236 1
1 226 . 6 1 1 A 26 26 LYS CB C 26 31.632 31.687 -0.055 1
1 234 . 6 1 1 A 26 26 LYS C C 26 178.251 178.454 -0.203 1
1 239 . 6 1 1 A 27 27 HIS N N 27 117.633 118.559 -0.926 1
1 240 . 6 1 1 A 27 27 HIS H H 27 6.643 8.072 -1.429 1
1 241 . 6 1 1 A 27 27 HIS CA C 27 56.893 59.747 -2.854 1
1 242 . 6 1 1 A 27 27 HIS HA H 27 4.395 4.376 0.019 1
1 243 . 6 1 1 A 27 27 HIS CB C 27 31.346 30.213 1.133 1
1 249 . 6 1 1 A 27 27 HIS C C 27 178.052 177.776 0.276 1
1 251 . 6 1 1 A 28 28 LEU N N 28 122.685 120.020 2.665 1
1 252 . 6 1 1 A 28 28 LEU H H 28 6.932 7.832 -0.900 1
1 253 . 6 1 1 A 28 28 LEU CA C 28 57.937 57.667 0.270 1
1 254 . 6 1 1 A 28 28 LEU HA H 28 3.236 3.205 0.031 1
1 255 . 6 1 1 A 28 28 LEU CB C 28 40.257 41.216 -0.959 1
1 267 . 6 1 1 A 28 28 LEU C C 28 177.710 178.266 -0.556 1
1 269 . 6 1 1 A 29 29 ILE N N 29 119.595 119.685 -0.090 1
1 270 . 6 1 1 A 29 29 ILE H H 29 8.045 7.753 0.292 1
1 271 . 6 1 1 A 29 29 ILE CA C 29 64.337 65.761 -1.424 1
1 272 . 6 1 1 A 29 29 ILE HA H 29 3.654 3.465 0.189 1
1 273 . 6 1 1 A 29 29 ILE CB C 29 37.272 37.845 -0.573 1
1 285 . 6 1 1 A 29 29 ILE C C 29 179.315 178.086 1.229 1
1 287 . 6 1 1 A 30 30 GLN N N 30 118.156 120.159 -2.003 1
1 288 . 6 1 1 A 30 30 GLN H H 30 7.507 7.635 -0.128 1
1 289 . 6 1 1 A 30 30 GLN CA C 30 58.708 58.695 0.013 1
1 290 . 6 1 1 A 30 30 GLN HA H 30 3.924 3.935 -0.011 1
1 291 . 6 1 1 A 30 30 GLN CB C 30 28.351 28.274 0.077 1
1 298 . 6 1 1 A 30 30 GLN C C 30 178.602 178.352 0.250 1
1 301 . 6 1 1 A 31 31 HIS N N 31 118.789 119.720 -0.931 1
1 302 . 6 1 1 A 31 31 HIS H H 31 7.691 7.905 -0.214 1
1 303 . 6 1 1 A 31 31 HIS CA C 31 59.054 59.901 -0.847 1
1 304 . 6 1 1 A 31 31 HIS HA H 31 4.208 4.186 0.022 1
1 305 . 6 1 1 A 31 31 HIS CB C 31 28.726 29.133 -0.407 1
1 311 . 6 1 1 A 31 31 HIS C C 31 177.945 177.282 0.663 1
1 313 . 6 1 1 A 32 32 GLN N N 32 119.822 118.131 1.691 1
1 314 . 6 1 1 A 32 32 GLN H H 32 8.680 8.033 0.647 1
1 315 . 6 1 1 A 32 32 GLN CA C 32 59.589 59.071 0.518 1
1 316 . 6 1 1 A 32 32 GLN HA H 32 3.710 3.525 0.185 1
1 317 . 6 1 1 A 32 32 GLN CB C 32 27.916 27.981 -0.065 1
1 324 . 6 1 1 A 32 32 GLN C C 32 178.170 178.495 -0.325 1
1 327 . 6 1 1 A 33 33 LYS N N 33 118.224 118.945 -0.721 1
1 328 . 6 1 1 A 33 33 LYS H H 33 7.248 7.914 -0.666 1
1 329 . 6 1 1 A 33 33 LYS CA C 33 58.912 59.533 -0.621 1
1 330 . 6 1 1 A 33 33 LYS HA H 33 4.050 3.863 0.187 1
1 331 . 6 1 1 A 33 33 LYS CB C 33 32.160 32.394 -0.234 1
1 338 . 6 1 1 A 33 33 LYS C C 33 178.506 178.348 0.158 1
1 343 . 6 1 1 A 34 34 THR N N 34 109.843 112.672 -2.829 1
1 344 . 6 1 1 A 34 34 THR H H 34 7.690 7.870 -0.180 1
1 345 . 6 1 1 A 34 34 THR CA C 34 63.891 65.287 -1.396 1
1 346 . 6 1 1 A 34 34 THR HA H 34 4.047 3.931 0.116 1
1 347 . 6 1 1 A 34 34 THR CB C 34 69.205 67.667 1.538 1
1 353 . 6 1 1 A 34 34 THR C C 34 175.352 177.229 -1.877 1
1 354 . 6 1 1 A 35 35 HIS N N 35 117.905 119.422 -1.517 1
1 355 . 6 1 1 A 35 35 HIS H H 35 6.998 7.789 -0.791 1
1 356 . 6 1 1 A 35 35 HIS CA C 35 55.067 58.982 -3.915 1
1 357 . 6 1 1 A 35 35 HIS HA H 35 4.763 4.356 0.407 1
1 358 . 6 1 1 A 35 35 HIS CB C 35 28.672 30.541 -1.869 1
1 364 . 6 1 1 A 35 35 HIS C C 35 174.592 175.952 -1.360 1
1 366 . 6 1 1 A 36 36 ALA N N 36 123.690 120.063 3.627 1
1 367 . 6 1 1 A 36 36 ALA H H 36 7.542 7.617 -0.075 1
1 368 . 6 1 1 A 36 36 ALA CA C 36 52.507 50.519 1.988 1
1 369 . 6 1 1 A 36 36 ALA HA H 36 4.247 4.397 -0.150 1
1 370 . 6 1 1 A 36 36 ALA CB C 36 19.368 19.042 0.326 1
1 374 . 6 1 1 A 36 36 ALA C C 36 177.263 175.902 1.361 1
1 375 . 6 1 1 A 37 37 ALA N N 37 123.646 126.034 -2.388 1
1 376 . 6 1 1 A 37 37 ALA H H 37 8.194 8.527 -0.333 1
1 377 . 6 1 1 A 37 37 ALA CA C 37 52.517 51.756 0.761 1
1 378 . 6 1 1 A 37 37 ALA HA H 37 4.244 4.298 -0.054 1
1 379 . 6 1 1 A 37 37 ALA CB C 37 19.181 18.185 0.996 1
1 383 . 6 1 1 A 37 37 ALA C C 37 177.787 176.568 1.219 1
1 384 . 6 1 1 A 38 38 LYS N N 38 120.872 123.699 -2.827 1
1 385 . 6 1 1 A 38 38 LYS H H 38 8.304 8.401 -0.097 1
1 386 . 6 1 1 A 38 38 LYS CA C 38 56.161 55.019 1.142 1
1 387 . 6 1 1 A 38 38 LYS HA H 38 4.304 4.801 -0.497 1
1 388 . 6 1 1 A 38 38 LYS CB C 38 33.014 34.002 -0.988 1
1 396 . 6 1 1 A 38 38 LYS C C 38 176.530 175.709 0.821 1
1 401 . 6 1 1 A 40 40 GLY CA C 40 44.610 44.956 -0.346 1
1 402 . 6 1 1 A 40 40 GLY HA3 H 40 4.091 4.236 -0.145 1
1 403 . 6 1 1 A 40 40 GLY HA2 H 40 4.091 4.235 -0.144 1
1 404 . 6 1 1 A 41 41 PRO CA C 41 63.260 62.782 0.478 1
1 405 . 6 1 1 A 41 41 PRO HA H 41 4.424 4.575 -0.151 1
1 406 . 6 1 1 A 41 41 PRO CB C 41 32.165 31.560 0.605 1
1 415 . 6 1 1 A 43 43 SER CA C 43 58.325 59.914 -1.589 1
1 416 . 6 1 1 A 43 43 SER HA H 43 4.444 4.589 -0.145 1
1 417 . 6 1 1 A 43 43 SER CB C 43 64.067 64.954 -0.887 1
1 419 . 6 1 1 A 43 43 SER C C 43 173.889 174.561 -0.672 1
1 1 . 7 1 1 A 8 8 HIS CA C 8 56.286 57.080 -0.794 1
1 2 . 7 1 1 A 8 8 HIS HA H 8 4.631 4.711 -0.080 1
1 3 . 7 1 1 A 8 8 HIS CB C 8 30.954 31.843 -0.889 1
1 10 . 7 1 1 A 9 9 THR CA C 9 61.910 62.504 -0.594 1
1 11 . 7 1 1 A 9 9 THR HA H 9 4.231 4.221 0.010 1
1 12 . 7 1 1 A 9 9 THR CB C 9 69.722 69.381 0.341 1
1 18 . 7 1 1 A 9 9 THR C C 9 174.222 174.639 -0.417 1
1 19 . 7 1 1 A 10 10 ARG N N 10 124.169 123.591 0.578 1
1 20 . 7 1 1 A 10 10 ARG H H 10 8.328 8.869 -0.541 1
1 21 . 7 1 1 A 10 10 ARG CA C 10 56.013 57.526 -1.513 1
1 22 . 7 1 1 A 10 10 ARG HA H 10 4.251 4.494 -0.243 1
1 23 . 7 1 1 A 10 10 ARG CB C 10 30.838 31.514 -0.676 1
1 29 . 7 1 1 A 10 10 ARG C C 10 175.968 176.342 -0.374 1
1 33 . 7 1 1 A 11 11 LYS N N 11 123.653 113.601 10.052 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.339 7.618 0.721 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 56.035 55.157 0.878 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.174 4.639 -0.465 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 32.967 35.606 -2.639 1
1 44 . 7 1 1 A 11 11 LYS C C 11 175.763 174.166 1.597 1
1 49 . 7 1 1 A 12 12 ARG N N 12 120.724 119.794 0.930 1
1 50 . 7 1 1 A 12 12 ARG H H 12 8.016 8.564 -0.548 1
1 51 . 7 1 1 A 12 12 ARG CA C 12 56.275 53.771 2.504 1
1 52 . 7 1 1 A 12 12 ARG HA H 12 4.204 4.621 -0.417 1
1 53 . 7 1 1 A 12 12 ARG CB C 12 31.979 34.688 -2.709 1
1 59 . 7 1 1 A 12 12 ARG C C 12 175.087 175.121 -0.034 1
1 63 . 7 1 1 A 13 13 TYR N N 13 119.605 119.365 0.240 1
1 64 . 7 1 1 A 13 13 TYR H H 13 8.559 8.483 0.076 1
1 65 . 7 1 1 A 13 13 TYR CA C 13 57.661 58.870 -1.209 1
1 66 . 7 1 1 A 13 13 TYR HA H 13 4.601 4.842 -0.241 1
1 67 . 7 1 1 A 13 13 TYR CB C 13 39.557 39.388 0.169 1
1 77 . 7 1 1 A 13 13 TYR C C 13 174.706 175.855 -1.149 1
1 79 . 7 1 1 A 14 14 GLU N N 14 123.907 123.067 0.840 1
1 80 . 7 1 1 A 14 14 GLU H H 14 8.787 9.123 -0.336 1
1 81 . 7 1 1 A 14 14 GLU CA C 14 54.868 54.715 0.153 1
1 82 . 7 1 1 A 14 14 GLU HA H 14 4.858 5.394 -0.536 1
1 83 . 7 1 1 A 14 14 GLU CB C 14 32.614 33.348 -0.734 1
1 87 . 7 1 1 A 14 14 GLU C C 14 175.009 175.787 -0.778 1
1 90 . 7 1 1 A 15 15 CYS N N 15 126.801 125.274 1.527 1
1 91 . 7 1 1 A 15 15 CYS H H 15 8.846 9.485 -0.639 1
1 92 . 7 1 1 A 15 15 CYS CA C 15 59.805 59.589 0.216 1
1 93 . 7 1 1 A 15 15 CYS HA H 15 4.477 4.641 -0.164 1
1 94 . 7 1 1 A 15 15 CYS CB C 15 29.783 28.745 1.038 1
1 96 . 7 1 1 A 15 15 CYS C C 15 176.142 175.476 0.666 1
1 98 . 7 1 1 A 16 16 SER CA C 16 60.236 57.388 2.848 1
1 99 . 7 1 1 A 16 16 SER HA H 16 4.429 4.769 -0.340 1
1 100 . 7 1 1 A 16 16 SER CB C 16 63.380 63.743 -0.363 1
1 102 . 7 1 1 A 16 16 SER C C 16 174.975 175.137 -0.162 1
1 104 . 7 1 1 A 17 17 LYS N N 17 123.704 121.674 2.030 1
1 105 . 7 1 1 A 17 17 LYS H H 17 9.085 7.456 1.629 1
1 106 . 7 1 1 A 17 17 LYS CA C 17 56.964 56.591 0.373 1
1 107 . 7 1 1 A 17 17 LYS HA H 17 4.309 4.372 -0.063 1
1 108 . 7 1 1 A 17 17 LYS CB C 17 33.110 35.086 -1.976 1
1 116 . 7 1 1 A 17 17 LYS C C 17 176.454 177.711 -1.257 1
1 121 . 7 1 1 A 18 18 CYS N N 18 117.611 113.823 3.788 1
1 122 . 7 1 1 A 18 18 CYS H H 18 7.842 8.037 -0.195 1
1 123 . 7 1 1 A 18 18 CYS CA C 18 58.533 58.350 0.183 1
1 124 . 7 1 1 A 18 18 CYS HA H 18 4.959 4.631 0.328 1
1 125 . 7 1 1 A 18 18 CYS CB C 18 31.098 29.646 1.452 1
1 127 . 7 1 1 A 18 18 CYS C C 18 174.286 174.661 -0.375 1
1 129 . 7 1 1 A 19 19 GLN N N 19 115.380 116.042 -0.662 1
1 130 . 7 1 1 A 19 19 GLN H H 19 8.099 8.110 -0.011 1
1 131 . 7 1 1 A 19 19 GLN CA C 19 58.073 56.954 1.119 1
1 132 . 7 1 1 A 19 19 GLN HA H 19 4.196 4.081 0.115 1
1 133 . 7 1 1 A 19 19 GLN CB C 19 27.004 26.505 0.499 1
1 140 . 7 1 1 A 19 19 GLN C C 19 175.057 174.736 0.321 1
1 143 . 7 1 1 A 20 20 ALA N N 20 125.831 120.179 5.652 1
1 144 . 7 1 1 A 20 20 ALA H H 20 8.504 7.921 0.583 1
1 145 . 7 1 1 A 20 20 ALA CA C 20 53.802 51.947 1.855 1
1 146 . 7 1 1 A 20 20 ALA HA H 20 4.022 4.485 -0.463 1
1 147 . 7 1 1 A 20 20 ALA CB C 20 19.769 20.676 -0.907 1
1 151 . 7 1 1 A 20 20 ALA C C 20 176.208 177.188 -0.980 1
1 152 . 7 1 1 A 21 21 THR N N 21 110.430 109.399 1.031 1
1 153 . 7 1 1 A 21 21 THR H H 21 7.487 8.482 -0.995 1
1 154 . 7 1 1 A 21 21 THR CA C 21 59.643 59.215 0.428 1
1 155 . 7 1 1 A 21 21 THR HA H 21 5.057 5.432 -0.375 1
1 156 . 7 1 1 A 21 21 THR CB C 21 71.992 71.877 0.115 1
1 162 . 7 1 1 A 21 21 THR C C 21 172.921 173.120 -0.199 1
1 163 . 7 1 1 A 22 22 PHE N N 22 117.143 117.613 -0.470 1
1 164 . 7 1 1 A 22 22 PHE H H 22 8.666 8.415 0.251 1
1 165 . 7 1 1 A 22 22 PHE CA C 22 57.117 56.545 0.572 1
1 166 . 7 1 1 A 22 22 PHE HA H 22 4.827 4.974 -0.147 1
1 167 . 7 1 1 A 22 22 PHE CB C 22 44.378 43.873 0.505 1
1 179 . 7 1 1 A 22 22 PHE C C 22 174.912 175.333 -0.421 1
1 181 . 7 1 1 A 23 23 ASN CA C 23 54.423 54.610 -0.187 1
1 182 . 7 1 1 A 23 23 ASN HA H 23 5.038 4.895 0.143 1
1 183 . 7 1 1 A 23 23 ASN CB C 23 39.624 40.117 -0.493 1
1 188 . 7 1 1 A 23 23 ASN C C 23 174.719 174.356 0.363 1
1 190 . 7 1 1 A 24 24 LEU N N 24 116.814 117.855 -1.041 1
1 191 . 7 1 1 A 24 24 LEU H H 24 7.520 8.364 -0.844 1
1 192 . 7 1 1 A 24 24 LEU CA C 24 53.161 53.380 -0.219 1
1 193 . 7 1 1 A 24 24 LEU HA H 24 4.774 4.775 -0.001 1
1 194 . 7 1 1 A 24 24 LEU CB C 24 44.687 43.862 0.825 1
1 206 . 7 1 1 A 24 24 LEU C C 24 177.051 176.949 0.102 1
1 208 . 7 1 1 A 25 25 ARG N N 25 127.581 123.472 4.109 1
1 209 . 7 1 1 A 25 25 ARG H H 25 8.517 8.702 -0.185 1
1 210 . 7 1 1 A 25 25 ARG CA C 25 59.593 59.038 0.555 1
1 211 . 7 1 1 A 25 25 ARG HA H 25 2.822 2.603 0.219 1
1 212 . 7 1 1 A 25 25 ARG CB C 25 29.135 29.577 -0.442 1
1 218 . 7 1 1 A 25 25 ARG C C 25 178.315 177.551 0.764 1
1 222 . 7 1 1 A 26 26 LYS N N 26 115.815 117.436 -1.621 1
1 223 . 7 1 1 A 26 26 LYS H H 26 8.495 8.026 0.469 1
1 224 . 7 1 1 A 26 26 LYS CA C 26 59.134 58.938 0.196 1
1 225 . 7 1 1 A 26 26 LYS HA H 26 3.842 4.006 -0.164 1
1 226 . 7 1 1 A 26 26 LYS CB C 26 31.632 32.203 -0.571 1
1 234 . 7 1 1 A 26 26 LYS C C 26 178.251 178.481 -0.230 1
1 239 . 7 1 1 A 27 27 HIS N N 27 117.633 119.307 -1.674 1
1 240 . 7 1 1 A 27 27 HIS H H 27 6.643 8.168 -1.525 1
1 241 . 7 1 1 A 27 27 HIS CA C 27 56.893 58.470 -1.577 1
1 242 . 7 1 1 A 27 27 HIS HA H 27 4.395 4.200 0.195 1
1 243 . 7 1 1 A 27 27 HIS CB C 27 31.346 29.953 1.393 1
1 249 . 7 1 1 A 27 27 HIS C C 27 178.052 177.267 0.785 1
1 251 . 7 1 1 A 28 28 LEU N N 28 122.685 120.030 2.655 1
1 252 . 7 1 1 A 28 28 LEU H H 28 6.932 7.555 -0.623 1
1 253 . 7 1 1 A 28 28 LEU CA C 28 57.937 57.922 0.015 1
1 254 . 7 1 1 A 28 28 LEU HA H 28 3.236 3.252 -0.016 1
1 255 . 7 1 1 A 28 28 LEU CB C 28 40.257 41.664 -1.407 1
1 267 . 7 1 1 A 28 28 LEU C C 28 177.710 178.536 -0.826 1
1 269 . 7 1 1 A 29 29 ILE N N 29 119.595 119.802 -0.207 1
1 270 . 7 1 1 A 29 29 ILE H H 29 8.045 7.865 0.180 1
1 271 . 7 1 1 A 29 29 ILE CA C 29 64.337 65.341 -1.004 1
1 272 . 7 1 1 A 29 29 ILE HA H 29 3.654 3.620 0.034 1
1 273 . 7 1 1 A 29 29 ILE CB C 29 37.272 37.565 -0.293 1
1 285 . 7 1 1 A 29 29 ILE C C 29 179.315 178.697 0.618 1
1 287 . 7 1 1 A 30 30 GLN N N 30 118.156 120.638 -2.482 1
1 288 . 7 1 1 A 30 30 GLN H H 30 7.507 7.651 -0.144 1
1 289 . 7 1 1 A 30 30 GLN CA C 30 58.708 58.755 -0.047 1
1 290 . 7 1 1 A 30 30 GLN HA H 30 3.924 3.956 -0.032 1
1 291 . 7 1 1 A 30 30 GLN CB C 30 28.351 28.376 -0.025 1
1 298 . 7 1 1 A 30 30 GLN C C 30 178.602 177.967 0.635 1
1 301 . 7 1 1 A 31 31 HIS N N 31 118.789 119.600 -0.811 1
1 302 . 7 1 1 A 31 31 HIS H H 31 7.691 8.133 -0.442 1
1 303 . 7 1 1 A 31 31 HIS CA C 31 59.054 59.895 -0.841 1
1 304 . 7 1 1 A 31 31 HIS HA H 31 4.208 3.979 0.229 1
1 305 . 7 1 1 A 31 31 HIS CB C 31 28.726 29.986 -1.260 1
1 311 . 7 1 1 A 31 31 HIS C C 31 177.945 177.302 0.643 1
1 313 . 7 1 1 A 32 32 GLN N N 32 119.822 118.894 0.928 1
1 314 . 7 1 1 A 32 32 GLN H H 32 8.680 7.699 0.981 1
1 315 . 7 1 1 A 32 32 GLN CA C 32 59.589 59.203 0.386 1
1 316 . 7 1 1 A 32 32 GLN HA H 32 3.710 4.073 -0.363 1
1 317 . 7 1 1 A 32 32 GLN CB C 32 27.916 28.770 -0.854 1
1 324 . 7 1 1 A 32 32 GLN C C 32 178.170 178.808 -0.638 1
1 327 . 7 1 1 A 33 33 LYS N N 33 118.224 118.648 -0.424 1
1 328 . 7 1 1 A 33 33 LYS H H 33 7.248 7.873 -0.625 1
1 329 . 7 1 1 A 33 33 LYS CA C 33 58.912 58.855 0.057 1
1 330 . 7 1 1 A 33 33 LYS HA H 33 4.050 4.095 -0.045 1
1 331 . 7 1 1 A 33 33 LYS CB C 33 32.160 31.695 0.465 1
1 338 . 7 1 1 A 33 33 LYS C C 33 178.506 178.046 0.460 1
1 343 . 7 1 1 A 34 34 THR N N 34 109.843 111.787 -1.944 1
1 344 . 7 1 1 A 34 34 THR H H 34 7.690 7.974 -0.284 1
1 345 . 7 1 1 A 34 34 THR CA C 34 63.891 65.035 -1.144 1
1 346 . 7 1 1 A 34 34 THR HA H 34 4.047 4.033 0.014 1
1 347 . 7 1 1 A 34 34 THR CB C 34 69.205 68.394 0.811 1
1 353 . 7 1 1 A 34 34 THR C C 34 175.352 176.859 -1.507 1
1 354 . 7 1 1 A 35 35 HIS N N 35 117.905 118.959 -1.054 1
1 355 . 7 1 1 A 35 35 HIS H H 35 6.998 7.464 -0.466 1
1 356 . 7 1 1 A 35 35 HIS CA C 35 55.067 59.679 -4.612 1
1 357 . 7 1 1 A 35 35 HIS HA H 35 4.763 4.194 0.569 1
1 358 . 7 1 1 A 35 35 HIS CB C 35 28.672 30.209 -1.537 1
1 364 . 7 1 1 A 35 35 HIS C C 35 174.592 175.889 -1.297 1
1 366 . 7 1 1 A 36 36 ALA N N 36 123.690 121.201 2.489 1
1 367 . 7 1 1 A 36 36 ALA H H 36 7.542 7.352 0.190 1
1 368 . 7 1 1 A 36 36 ALA CA C 36 52.507 52.187 0.320 1
1 369 . 7 1 1 A 36 36 ALA HA H 36 4.247 4.237 0.010 1
1 370 . 7 1 1 A 36 36 ALA CB C 36 19.368 19.936 -0.568 1
1 374 . 7 1 1 A 36 36 ALA C C 36 177.263 177.622 -0.359 1
1 375 . 7 1 1 A 37 37 ALA N N 37 123.646 119.304 4.342 1
1 376 . 7 1 1 A 37 37 ALA H H 37 8.194 8.574 -0.380 1
1 377 . 7 1 1 A 37 37 ALA CA C 37 52.517 53.082 -0.565 1
1 378 . 7 1 1 A 37 37 ALA HA H 37 4.244 3.855 0.389 1
1 379 . 7 1 1 A 37 37 ALA CB C 37 19.181 17.812 1.369 1
1 383 . 7 1 1 A 37 37 ALA C C 37 177.787 175.868 1.919 1
1 384 . 7 1 1 A 38 38 LYS N N 38 120.872 116.453 4.419 1
1 385 . 7 1 1 A 38 38 LYS H H 38 8.304 7.655 0.649 1
1 386 . 7 1 1 A 38 38 LYS CA C 38 56.161 55.615 0.546 1
1 387 . 7 1 1 A 38 38 LYS HA H 38 4.304 4.851 -0.547 1
1 388 . 7 1 1 A 38 38 LYS CB C 38 33.014 35.685 -2.671 1
1 396 . 7 1 1 A 38 38 LYS C C 38 176.530 174.008 2.522 1
1 401 . 7 1 1 A 40 40 GLY CA C 40 44.610 48.047 -3.437 1
1 402 . 7 1 1 A 40 40 GLY HA3 H 40 4.091 3.877 0.214 1
1 403 . 7 1 1 A 40 40 GLY HA2 H 40 4.091 3.872 0.219 1
1 404 . 7 1 1 A 41 41 PRO CA C 41 63.260 62.726 0.534 1
1 405 . 7 1 1 A 41 41 PRO HA H 41 4.424 4.586 -0.162 1
1 406 . 7 1 1 A 41 41 PRO CB C 41 32.165 31.674 0.491 1
1 415 . 7 1 1 A 43 43 SER CA C 43 58.325 57.218 1.107 1
1 416 . 7 1 1 A 43 43 SER HA H 43 4.444 5.065 -0.621 1
1 417 . 7 1 1 A 43 43 SER CB C 43 64.067 66.972 -2.905 1
1 419 . 7 1 1 A 43 43 SER C C 43 173.889 174.449 -0.560 1
1 1 . 8 1 1 A 8 8 HIS CA C 8 56.286 56.123 0.163 1
1 2 . 8 1 1 A 8 8 HIS HA H 8 4.631 4.555 0.076 1
1 3 . 8 1 1 A 8 8 HIS CB C 8 30.954 30.874 0.080 1
1 10 . 8 1 1 A 9 9 THR CA C 9 61.910 65.707 -3.797 1
1 11 . 8 1 1 A 9 9 THR HA H 9 4.231 3.978 0.253 1
1 12 . 8 1 1 A 9 9 THR CB C 9 69.722 68.338 1.384 1
1 18 . 8 1 1 A 9 9 THR C C 9 174.222 174.247 -0.025 1
1 19 . 8 1 1 A 10 10 ARG N N 10 124.169 120.732 3.437 1
1 20 . 8 1 1 A 10 10 ARG H H 10 8.328 7.836 0.492 1
1 21 . 8 1 1 A 10 10 ARG CA C 10 56.013 55.021 0.992 1
1 22 . 8 1 1 A 10 10 ARG HA H 10 4.251 4.775 -0.524 1
1 23 . 8 1 1 A 10 10 ARG CB C 10 30.838 33.214 -2.376 1
1 29 . 8 1 1 A 10 10 ARG C C 10 175.968 174.213 1.755 1
1 33 . 8 1 1 A 11 11 LYS N N 11 123.653 126.223 -2.570 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.339 8.575 -0.236 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 56.035 55.906 0.129 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.174 4.512 -0.338 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 32.967 33.065 -0.098 1
1 44 . 8 1 1 A 11 11 LYS C C 11 175.763 176.139 -0.376 1
1 49 . 8 1 1 A 12 12 ARG N N 12 120.724 124.872 -4.148 1
1 50 . 8 1 1 A 12 12 ARG H H 12 8.016 8.377 -0.361 1
1 51 . 8 1 1 A 12 12 ARG CA C 12 56.275 56.322 -0.047 1
1 52 . 8 1 1 A 12 12 ARG HA H 12 4.204 3.969 0.235 1
1 53 . 8 1 1 A 12 12 ARG CB C 12 31.979 30.353 1.626 1
1 59 . 8 1 1 A 12 12 ARG C C 12 175.087 175.429 -0.342 1
1 63 . 8 1 1 A 13 13 TYR N N 13 119.605 123.117 -3.512 1
1 64 . 8 1 1 A 13 13 TYR H H 13 8.559 8.477 0.082 1
1 65 . 8 1 1 A 13 13 TYR CA C 13 57.661 59.733 -2.072 1
1 66 . 8 1 1 A 13 13 TYR HA H 13 4.601 4.739 -0.138 1
1 67 . 8 1 1 A 13 13 TYR CB C 13 39.557 39.876 -0.319 1
1 77 . 8 1 1 A 13 13 TYR C C 13 174.706 176.303 -1.597 1
1 79 . 8 1 1 A 14 14 GLU N N 14 123.907 121.154 2.753 1
1 80 . 8 1 1 A 14 14 GLU H H 14 8.787 9.232 -0.445 1
1 81 . 8 1 1 A 14 14 GLU CA C 14 54.868 54.493 0.375 1
1 82 . 8 1 1 A 14 14 GLU HA H 14 4.858 5.506 -0.648 1
1 83 . 8 1 1 A 14 14 GLU CB C 14 32.614 33.387 -0.773 1
1 87 . 8 1 1 A 14 14 GLU C C 14 175.009 174.922 0.087 1
1 90 . 8 1 1 A 15 15 CYS N N 15 126.801 123.438 3.363 1
1 91 . 8 1 1 A 15 15 CYS H H 15 8.846 9.024 -0.178 1
1 92 . 8 1 1 A 15 15 CYS CA C 15 59.805 58.218 1.587 1
1 93 . 8 1 1 A 15 15 CYS HA H 15 4.477 4.992 -0.515 1
1 94 . 8 1 1 A 15 15 CYS CB C 15 29.783 29.950 -0.167 1
1 96 . 8 1 1 A 15 15 CYS C C 15 176.142 176.470 -0.328 1
1 98 . 8 1 1 A 16 16 SER CA C 16 60.236 58.624 1.612 1
1 99 . 8 1 1 A 16 16 SER HA H 16 4.429 4.566 -0.137 1
1 100 . 8 1 1 A 16 16 SER CB C 16 63.380 63.215 0.165 1
1 102 . 8 1 1 A 16 16 SER C C 16 174.975 174.610 0.365 1
1 104 . 8 1 1 A 17 17 LYS N N 17 123.704 120.414 3.290 1
1 105 . 8 1 1 A 17 17 LYS H H 17 9.085 8.324 0.761 1
1 106 . 8 1 1 A 17 17 LYS CA C 17 56.964 57.464 -0.500 1
1 107 . 8 1 1 A 17 17 LYS HA H 17 4.309 4.596 -0.287 1
1 108 . 8 1 1 A 17 17 LYS CB C 17 33.110 35.419 -2.309 1
1 116 . 8 1 1 A 17 17 LYS C C 17 176.454 177.429 -0.975 1
1 121 . 8 1 1 A 18 18 CYS N N 18 117.611 115.002 2.609 1
1 122 . 8 1 1 A 18 18 CYS H H 18 7.842 8.131 -0.289 1
1 123 . 8 1 1 A 18 18 CYS CA C 18 58.533 58.188 0.345 1
1 124 . 8 1 1 A 18 18 CYS HA H 18 4.959 4.601 0.358 1
1 125 . 8 1 1 A 18 18 CYS CB C 18 31.098 29.512 1.586 1
1 127 . 8 1 1 A 18 18 CYS C C 18 174.286 174.606 -0.320 1
1 129 . 8 1 1 A 19 19 GLN N N 19 115.380 116.249 -0.869 1
1 130 . 8 1 1 A 19 19 GLN H H 19 8.099 7.678 0.421 1
1 131 . 8 1 1 A 19 19 GLN CA C 19 58.073 57.124 0.949 1
1 132 . 8 1 1 A 19 19 GLN HA H 19 4.196 4.182 0.014 1
1 133 . 8 1 1 A 19 19 GLN CB C 19 27.004 26.121 0.883 1
1 140 . 8 1 1 A 19 19 GLN C C 19 175.057 174.128 0.929 1
1 143 . 8 1 1 A 20 20 ALA N N 20 125.831 120.500 5.331 1
1 144 . 8 1 1 A 20 20 ALA H H 20 8.504 7.905 0.599 1
1 145 . 8 1 1 A 20 20 ALA CA C 20 53.802 50.432 3.370 1
1 146 . 8 1 1 A 20 20 ALA HA H 20 4.022 4.818 -0.796 1
1 147 . 8 1 1 A 20 20 ALA CB C 20 19.769 22.325 -2.556 1
1 151 . 8 1 1 A 20 20 ALA C C 20 176.208 176.887 -0.679 1
1 152 . 8 1 1 A 21 21 THR N N 21 110.430 109.794 0.636 1
1 153 . 8 1 1 A 21 21 THR H H 21 7.487 8.567 -1.080 1
1 154 . 8 1 1 A 21 21 THR CA C 21 59.643 59.428 0.215 1
1 155 . 8 1 1 A 21 21 THR HA H 21 5.057 5.458 -0.401 1
1 156 . 8 1 1 A 21 21 THR CB C 21 71.992 71.499 0.493 1
1 162 . 8 1 1 A 21 21 THR C C 21 172.921 173.325 -0.404 1
1 163 . 8 1 1 A 22 22 PHE N N 22 117.143 119.217 -2.074 1
1 164 . 8 1 1 A 22 22 PHE H H 22 8.666 8.504 0.162 1
1 165 . 8 1 1 A 22 22 PHE CA C 22 57.117 56.335 0.782 1
1 166 . 8 1 1 A 22 22 PHE HA H 22 4.827 4.904 -0.077 1
1 167 . 8 1 1 A 22 22 PHE CB C 22 44.378 42.797 1.581 1
1 179 . 8 1 1 A 22 22 PHE C C 22 174.912 175.829 -0.917 1
1 181 . 8 1 1 A 23 23 ASN CA C 23 54.423 56.109 -1.686 1
1 182 . 8 1 1 A 23 23 ASN HA H 23 5.038 4.755 0.283 1
1 183 . 8 1 1 A 23 23 ASN CB C 23 39.624 40.293 -0.669 1
1 188 . 8 1 1 A 23 23 ASN C C 23 174.719 175.748 -1.029 1
1 190 . 8 1 1 A 24 24 LEU N N 24 116.814 117.790 -0.976 1
1 191 . 8 1 1 A 24 24 LEU H H 24 7.520 8.382 -0.862 1
1 192 . 8 1 1 A 24 24 LEU CA C 24 53.161 53.084 0.077 1
1 193 . 8 1 1 A 24 24 LEU HA H 24 4.774 4.725 0.049 1
1 194 . 8 1 1 A 24 24 LEU CB C 24 44.687 44.406 0.281 1
1 206 . 8 1 1 A 24 24 LEU C C 24 177.051 177.013 0.038 1
1 208 . 8 1 1 A 25 25 ARG N N 25 127.581 122.862 4.719 1
1 209 . 8 1 1 A 25 25 ARG H H 25 8.517 8.698 -0.181 1
1 210 . 8 1 1 A 25 25 ARG CA C 25 59.593 58.918 0.675 1
1 211 . 8 1 1 A 25 25 ARG HA H 25 2.822 3.072 -0.250 1
1 212 . 8 1 1 A 25 25 ARG CB C 25 29.135 29.745 -0.610 1
1 218 . 8 1 1 A 25 25 ARG C C 25 178.315 177.719 0.596 1
1 222 . 8 1 1 A 26 26 LYS N N 26 115.815 117.790 -1.975 1
1 223 . 8 1 1 A 26 26 LYS H H 26 8.495 8.080 0.415 1
1 224 . 8 1 1 A 26 26 LYS CA C 26 59.134 58.956 0.178 1
1 225 . 8 1 1 A 26 26 LYS HA H 26 3.842 4.026 -0.184 1
1 226 . 8 1 1 A 26 26 LYS CB C 26 31.632 31.935 -0.303 1
1 234 . 8 1 1 A 26 26 LYS C C 26 178.251 178.423 -0.172 1
1 239 . 8 1 1 A 27 27 HIS N N 27 117.633 119.155 -1.522 1
1 240 . 8 1 1 A 27 27 HIS H H 27 6.643 8.189 -1.546 1
1 241 . 8 1 1 A 27 27 HIS CA C 27 56.893 58.657 -1.764 1
1 242 . 8 1 1 A 27 27 HIS HA H 27 4.395 4.207 0.188 1
1 243 . 8 1 1 A 27 27 HIS CB C 27 31.346 30.006 1.340 1
1 249 . 8 1 1 A 27 27 HIS C C 27 178.052 177.051 1.001 1
1 251 . 8 1 1 A 28 28 LEU N N 28 122.685 120.273 2.412 1
1 252 . 8 1 1 A 28 28 LEU H H 28 6.932 7.722 -0.790 1
1 253 . 8 1 1 A 28 28 LEU CA C 28 57.937 57.998 -0.061 1
1 254 . 8 1 1 A 28 28 LEU HA H 28 3.236 3.033 0.203 1
1 255 . 8 1 1 A 28 28 LEU CB C 28 40.257 41.639 -1.382 1
1 267 . 8 1 1 A 28 28 LEU C C 28 177.710 178.310 -0.600 1
1 269 . 8 1 1 A 29 29 ILE N N 29 119.595 119.747 -0.152 1
1 270 . 8 1 1 A 29 29 ILE H H 29 8.045 7.583 0.462 1
1 271 . 8 1 1 A 29 29 ILE CA C 29 64.337 65.634 -1.297 1
1 272 . 8 1 1 A 29 29 ILE HA H 29 3.654 3.546 0.108 1
1 273 . 8 1 1 A 29 29 ILE CB C 29 37.272 37.764 -0.492 1
1 285 . 8 1 1 A 29 29 ILE C C 29 179.315 178.199 1.116 1
1 287 . 8 1 1 A 30 30 GLN N N 30 118.156 119.950 -1.794 1
1 288 . 8 1 1 A 30 30 GLN H H 30 7.507 7.994 -0.487 1
1 289 . 8 1 1 A 30 30 GLN CA C 30 58.708 58.731 -0.023 1
1 290 . 8 1 1 A 30 30 GLN HA H 30 3.924 3.900 0.024 1
1 291 . 8 1 1 A 30 30 GLN CB C 30 28.351 28.131 0.220 1
1 298 . 8 1 1 A 30 30 GLN C C 30 178.602 178.384 0.218 1
1 301 . 8 1 1 A 31 31 HIS N N 31 118.789 119.584 -0.795 1
1 302 . 8 1 1 A 31 31 HIS H H 31 7.691 8.246 -0.555 1
1 303 . 8 1 1 A 31 31 HIS CA C 31 59.054 59.819 -0.765 1
1 304 . 8 1 1 A 31 31 HIS HA H 31 4.208 4.125 0.083 1
1 305 . 8 1 1 A 31 31 HIS CB C 31 28.726 29.442 -0.716 1
1 311 . 8 1 1 A 31 31 HIS C C 31 177.945 176.979 0.966 1
1 313 . 8 1 1 A 32 32 GLN N N 32 119.822 118.389 1.433 1
1 314 . 8 1 1 A 32 32 GLN H H 32 8.680 8.296 0.384 1
1 315 . 8 1 1 A 32 32 GLN CA C 32 59.589 58.813 0.776 1
1 316 . 8 1 1 A 32 32 GLN HA H 32 3.710 3.659 0.051 1
1 317 . 8 1 1 A 32 32 GLN CB C 32 27.916 28.244 -0.328 1
1 324 . 8 1 1 A 32 32 GLN C C 32 178.170 178.389 -0.219 1
1 327 . 8 1 1 A 33 33 LYS N N 33 118.224 120.236 -2.012 1
1 328 . 8 1 1 A 33 33 LYS H H 33 7.248 7.495 -0.247 1
1 329 . 8 1 1 A 33 33 LYS CA C 33 58.912 59.024 -0.112 1
1 330 . 8 1 1 A 33 33 LYS HA H 33 4.050 4.023 0.027 1
1 331 . 8 1 1 A 33 33 LYS CB C 33 32.160 32.372 -0.212 1
1 338 . 8 1 1 A 33 33 LYS C C 33 178.506 179.551 -1.045 1
1 343 . 8 1 1 A 34 34 THR N N 34 109.843 114.645 -4.802 1
1 344 . 8 1 1 A 34 34 THR H H 34 7.690 8.090 -0.400 1
1 345 . 8 1 1 A 34 34 THR CA C 34 63.891 64.722 -0.831 1
1 346 . 8 1 1 A 34 34 THR HA H 34 4.047 3.893 0.154 1
1 347 . 8 1 1 A 34 34 THR CB C 34 69.205 68.666 0.539 1
1 353 . 8 1 1 A 34 34 THR C C 34 175.352 176.257 -0.905 1
1 354 . 8 1 1 A 35 35 HIS N N 35 117.905 116.838 1.067 1
1 355 . 8 1 1 A 35 35 HIS H H 35 6.998 7.459 -0.461 1
1 356 . 8 1 1 A 35 35 HIS CA C 35 55.067 55.293 -0.226 1
1 357 . 8 1 1 A 35 35 HIS HA H 35 4.763 4.563 0.200 1
1 358 . 8 1 1 A 35 35 HIS CB C 35 28.672 29.663 -0.991 1
1 364 . 8 1 1 A 35 35 HIS C C 35 174.592 174.186 0.406 1
1 366 . 8 1 1 A 36 36 ALA N N 36 123.690 121.083 2.607 1
1 367 . 8 1 1 A 36 36 ALA H H 36 7.542 8.233 -0.691 1
1 368 . 8 1 1 A 36 36 ALA CA C 36 52.507 53.070 -0.563 1
1 369 . 8 1 1 A 36 36 ALA HA H 36 4.247 3.879 0.368 1
1 370 . 8 1 1 A 36 36 ALA CB C 36 19.368 17.168 2.200 1
1 374 . 8 1 1 A 36 36 ALA C C 36 177.263 176.275 0.988 1
1 375 . 8 1 1 A 37 37 ALA N N 37 123.646 119.411 4.235 1
1 376 . 8 1 1 A 37 37 ALA H H 37 8.194 7.737 0.457 1
1 377 . 8 1 1 A 37 37 ALA CA C 37 52.517 51.538 0.979 1
1 378 . 8 1 1 A 37 37 ALA HA H 37 4.244 4.342 -0.098 1
1 379 . 8 1 1 A 37 37 ALA CB C 37 19.181 17.988 1.193 1
1 383 . 8 1 1 A 37 37 ALA C C 37 177.787 176.224 1.563 1
1 384 . 8 1 1 A 38 38 LYS N N 38 120.872 125.510 -4.638 1
1 385 . 8 1 1 A 38 38 LYS H H 38 8.304 8.322 -0.018 1
1 386 . 8 1 1 A 38 38 LYS CA C 38 56.161 55.362 0.799 1
1 387 . 8 1 1 A 38 38 LYS HA H 38 4.304 4.493 -0.189 1
1 388 . 8 1 1 A 38 38 LYS CB C 38 33.014 31.585 1.429 1
1 396 . 8 1 1 A 38 38 LYS C C 38 176.530 176.180 0.350 1
1 401 . 8 1 1 A 40 40 GLY CA C 40 44.610 45.383 -0.773 1
1 402 . 8 1 1 A 40 40 GLY HA3 H 40 4.091 4.349 -0.258 1
1 403 . 8 1 1 A 40 40 GLY HA2 H 40 4.091 4.348 -0.257 1
1 404 . 8 1 1 A 41 41 PRO CA C 41 63.260 62.736 0.524 1
1 405 . 8 1 1 A 41 41 PRO HA H 41 4.424 4.679 -0.255 1
1 406 . 8 1 1 A 41 41 PRO CB C 41 32.165 33.058 -0.893 1
1 415 . 8 1 1 A 43 43 SER CA C 43 58.325 59.042 -0.717 1
1 416 . 8 1 1 A 43 43 SER HA H 43 4.444 4.188 0.256 1
1 417 . 8 1 1 A 43 43 SER CB C 43 64.067 60.950 3.117 1
1 419 . 8 1 1 A 43 43 SER C C 43 173.889 174.117 -0.228 1
1 1 . 9 1 1 A 8 8 HIS CA C 8 56.286 56.668 -0.382 1
1 2 . 9 1 1 A 8 8 HIS HA H 8 4.631 4.246 0.385 1
1 3 . 9 1 1 A 8 8 HIS CB C 8 30.954 27.968 2.986 1
1 10 . 9 1 1 A 9 9 THR CA C 9 61.910 63.775 -1.865 1
1 11 . 9 1 1 A 9 9 THR HA H 9 4.231 4.067 0.164 1
1 12 . 9 1 1 A 9 9 THR CB C 9 69.722 69.466 0.256 1
1 18 . 9 1 1 A 9 9 THR C C 9 174.222 174.691 -0.469 1
1 19 . 9 1 1 A 10 10 ARG N N 10 124.169 121.865 2.304 1
1 20 . 9 1 1 A 10 10 ARG H H 10 8.328 7.556 0.772 1
1 21 . 9 1 1 A 10 10 ARG CA C 10 56.013 56.125 -0.112 1
1 22 . 9 1 1 A 10 10 ARG HA H 10 4.251 4.345 -0.094 1
1 23 . 9 1 1 A 10 10 ARG CB C 10 30.838 31.055 -0.217 1
1 29 . 9 1 1 A 10 10 ARG C C 10 175.968 175.053 0.915 1
1 33 . 9 1 1 A 11 11 LYS N N 11 123.653 124.354 -0.701 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.339 8.348 -0.009 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 56.035 55.769 0.266 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.174 4.666 -0.492 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 32.967 36.615 -3.648 1
1 44 . 9 1 1 A 11 11 LYS C C 11 175.763 174.304 1.459 1
1 49 . 9 1 1 A 12 12 ARG N N 12 120.724 122.734 -2.010 1
1 50 . 9 1 1 A 12 12 ARG H H 12 8.016 8.729 -0.713 1
1 51 . 9 1 1 A 12 12 ARG CA C 12 56.275 54.207 2.068 1
1 52 . 9 1 1 A 12 12 ARG HA H 12 4.204 4.837 -0.633 1
1 53 . 9 1 1 A 12 12 ARG CB C 12 31.979 33.947 -1.968 1
1 59 . 9 1 1 A 12 12 ARG C C 12 175.087 173.982 1.105 1
1 63 . 9 1 1 A 13 13 TYR N N 13 119.605 121.724 -2.119 1
1 64 . 9 1 1 A 13 13 TYR H H 13 8.559 9.190 -0.631 1
1 65 . 9 1 1 A 13 13 TYR CA C 13 57.661 58.647 -0.986 1
1 66 . 9 1 1 A 13 13 TYR HA H 13 4.601 4.906 -0.305 1
1 67 . 9 1 1 A 13 13 TYR CB C 13 39.557 39.739 -0.182 1
1 77 . 9 1 1 A 13 13 TYR C C 13 174.706 176.207 -1.501 1
1 79 . 9 1 1 A 14 14 GLU N N 14 123.907 122.258 1.649 1
1 80 . 9 1 1 A 14 14 GLU H H 14 8.787 9.072 -0.285 1
1 81 . 9 1 1 A 14 14 GLU CA C 14 54.868 54.749 0.119 1
1 82 . 9 1 1 A 14 14 GLU HA H 14 4.858 5.346 -0.488 1
1 83 . 9 1 1 A 14 14 GLU CB C 14 32.614 32.957 -0.343 1
1 87 . 9 1 1 A 14 14 GLU C C 14 175.009 175.644 -0.635 1
1 90 . 9 1 1 A 15 15 CYS N N 15 126.801 123.071 3.730 1
1 91 . 9 1 1 A 15 15 CYS H H 15 8.846 9.062 -0.216 1
1 92 . 9 1 1 A 15 15 CYS CA C 15 59.805 59.286 0.519 1
1 93 . 9 1 1 A 15 15 CYS HA H 15 4.477 4.827 -0.350 1
1 94 . 9 1 1 A 15 15 CYS CB C 15 29.783 29.375 0.408 1
1 96 . 9 1 1 A 15 15 CYS C C 15 176.142 174.644 1.498 1
1 98 . 9 1 1 A 16 16 SER CA C 16 60.236 60.250 -0.014 1
1 99 . 9 1 1 A 16 16 SER HA H 16 4.429 4.468 -0.039 1
1 100 . 9 1 1 A 16 16 SER CB C 16 63.380 64.419 -1.039 1
1 102 . 9 1 1 A 16 16 SER C C 16 174.975 175.837 -0.862 1
1 104 . 9 1 1 A 17 17 LYS N N 17 123.704 120.688 3.016 1
1 105 . 9 1 1 A 17 17 LYS H H 17 9.085 7.717 1.368 1
1 106 . 9 1 1 A 17 17 LYS CA C 17 56.964 59.035 -2.071 1
1 107 . 9 1 1 A 17 17 LYS HA H 17 4.309 4.065 0.244 1
1 108 . 9 1 1 A 17 17 LYS CB C 17 33.110 32.451 0.659 1
1 116 . 9 1 1 A 17 17 LYS C C 17 176.454 178.883 -2.429 1
1 121 . 9 1 1 A 18 18 CYS N N 18 117.611 116.579 1.032 1
1 122 . 9 1 1 A 18 18 CYS H H 18 7.842 7.795 0.047 1
1 123 . 9 1 1 A 18 18 CYS CA C 18 58.533 60.036 -1.503 1
1 124 . 9 1 1 A 18 18 CYS HA H 18 4.959 4.458 0.501 1
1 125 . 9 1 1 A 18 18 CYS CB C 18 31.098 28.473 2.625 1
1 127 . 9 1 1 A 18 18 CYS C C 18 174.286 174.718 -0.432 1
1 129 . 9 1 1 A 19 19 GLN N N 19 115.380 116.493 -1.113 1
1 130 . 9 1 1 A 19 19 GLN H H 19 8.099 7.976 0.123 1
1 131 . 9 1 1 A 19 19 GLN CA C 19 58.073 56.982 1.091 1
1 132 . 9 1 1 A 19 19 GLN HA H 19 4.196 4.301 -0.105 1
1 133 . 9 1 1 A 19 19 GLN CB C 19 27.004 26.156 0.848 1
1 140 . 9 1 1 A 19 19 GLN C C 19 175.057 174.661 0.396 1
1 143 . 9 1 1 A 20 20 ALA N N 20 125.831 120.367 5.464 1
1 144 . 9 1 1 A 20 20 ALA H H 20 8.504 7.429 1.075 1
1 145 . 9 1 1 A 20 20 ALA CA C 20 53.802 51.570 2.232 1
1 146 . 9 1 1 A 20 20 ALA HA H 20 4.022 4.456 -0.434 1
1 147 . 9 1 1 A 20 20 ALA CB C 20 19.769 20.933 -1.164 1
1 151 . 9 1 1 A 20 20 ALA C C 20 176.208 176.469 -0.261 1
1 152 . 9 1 1 A 21 21 THR N N 21 110.430 106.783 3.647 1
1 153 . 9 1 1 A 21 21 THR H H 21 7.487 8.330 -0.843 1
1 154 . 9 1 1 A 21 21 THR CA C 21 59.643 59.249 0.394 1
1 155 . 9 1 1 A 21 21 THR HA H 21 5.057 5.318 -0.261 1
1 156 . 9 1 1 A 21 21 THR CB C 21 71.992 72.257 -0.265 1
1 162 . 9 1 1 A 21 21 THR C C 21 172.921 172.797 0.124 1
1 163 . 9 1 1 A 22 22 PHE N N 22 117.143 117.365 -0.222 1
1 164 . 9 1 1 A 22 22 PHE H H 22 8.666 7.905 0.761 1
1 165 . 9 1 1 A 22 22 PHE CA C 22 57.117 56.577 0.540 1
1 166 . 9 1 1 A 22 22 PHE HA H 22 4.827 4.960 -0.133 1
1 167 . 9 1 1 A 22 22 PHE CB C 22 44.378 43.843 0.535 1
1 179 . 9 1 1 A 22 22 PHE C C 22 174.912 175.681 -0.769 1
1 181 . 9 1 1 A 23 23 ASN CA C 23 54.423 55.509 -1.086 1
1 182 . 9 1 1 A 23 23 ASN HA H 23 5.038 4.903 0.135 1
1 183 . 9 1 1 A 23 23 ASN CB C 23 39.624 40.221 -0.597 1
1 188 . 9 1 1 A 23 23 ASN C C 23 174.719 175.557 -0.838 1
1 190 . 9 1 1 A 24 24 LEU N N 24 116.814 118.168 -1.354 1
1 191 . 9 1 1 A 24 24 LEU H H 24 7.520 8.437 -0.917 1
1 192 . 9 1 1 A 24 24 LEU CA C 24 53.161 53.327 -0.166 1
1 193 . 9 1 1 A 24 24 LEU HA H 24 4.774 4.659 0.115 1
1 194 . 9 1 1 A 24 24 LEU CB C 24 44.687 43.728 0.959 1
1 206 . 9 1 1 A 24 24 LEU C C 24 177.051 176.978 0.073 1
1 208 . 9 1 1 A 25 25 ARG N N 25 127.581 123.440 4.141 1
1 209 . 9 1 1 A 25 25 ARG H H 25 8.517 8.826 -0.309 1
1 210 . 9 1 1 A 25 25 ARG CA C 25 59.593 59.361 0.232 1
1 211 . 9 1 1 A 25 25 ARG HA H 25 2.822 3.041 -0.219 1
1 212 . 9 1 1 A 25 25 ARG CB C 25 29.135 29.488 -0.353 1
1 218 . 9 1 1 A 25 25 ARG C C 25 178.315 177.605 0.710 1
1 222 . 9 1 1 A 26 26 LYS N N 26 115.815 117.745 -1.930 1
1 223 . 9 1 1 A 26 26 LYS H H 26 8.495 8.014 0.481 1
1 224 . 9 1 1 A 26 26 LYS CA C 26 59.134 58.758 0.376 1
1 225 . 9 1 1 A 26 26 LYS HA H 26 3.842 4.033 -0.191 1
1 226 . 9 1 1 A 26 26 LYS CB C 26 31.632 31.790 -0.158 1
1 234 . 9 1 1 A 26 26 LYS C C 26 178.251 178.462 -0.211 1
1 239 . 9 1 1 A 27 27 HIS N N 27 117.633 118.754 -1.121 1
1 240 . 9 1 1 A 27 27 HIS H H 27 6.643 7.920 -1.277 1
1 241 . 9 1 1 A 27 27 HIS CA C 27 56.893 59.211 -2.318 1
1 242 . 9 1 1 A 27 27 HIS HA H 27 4.395 4.253 0.142 1
1 243 . 9 1 1 A 27 27 HIS CB C 27 31.346 29.767 1.579 1
1 249 . 9 1 1 A 27 27 HIS C C 27 178.052 177.308 0.744 1
1 251 . 9 1 1 A 28 28 LEU N N 28 122.685 120.448 2.237 1
1 252 . 9 1 1 A 28 28 LEU H H 28 6.932 7.770 -0.838 1
1 253 . 9 1 1 A 28 28 LEU CA C 28 57.937 58.087 -0.150 1
1 254 . 9 1 1 A 28 28 LEU HA H 28 3.236 3.279 -0.043 1
1 255 . 9 1 1 A 28 28 LEU CB C 28 40.257 41.681 -1.424 1
1 267 . 9 1 1 A 28 28 LEU C C 28 177.710 178.294 -0.584 1
1 269 . 9 1 1 A 29 29 ILE N N 29 119.595 120.081 -0.486 1
1 270 . 9 1 1 A 29 29 ILE H H 29 8.045 7.589 0.456 1
1 271 . 9 1 1 A 29 29 ILE CA C 29 64.337 65.381 -1.044 1
1 272 . 9 1 1 A 29 29 ILE HA H 29 3.654 3.852 -0.198 1
1 273 . 9 1 1 A 29 29 ILE CB C 29 37.272 37.505 -0.233 1
1 285 . 9 1 1 A 29 29 ILE C C 29 179.315 178.610 0.705 1
1 287 . 9 1 1 A 30 30 GLN N N 30 118.156 120.129 -1.973 1
1 288 . 9 1 1 A 30 30 GLN H H 30 7.507 7.635 -0.128 1
1 289 . 9 1 1 A 30 30 GLN CA C 30 58.708 58.983 -0.275 1
1 290 . 9 1 1 A 30 30 GLN HA H 30 3.924 3.934 -0.010 1
1 291 . 9 1 1 A 30 30 GLN CB C 30 28.351 28.277 0.074 1
1 298 . 9 1 1 A 30 30 GLN C C 30 178.602 178.185 0.417 1
1 301 . 9 1 1 A 31 31 HIS N N 31 118.789 119.729 -0.940 1
1 302 . 9 1 1 A 31 31 HIS H H 31 7.691 8.159 -0.468 1
1 303 . 9 1 1 A 31 31 HIS CA C 31 59.054 59.802 -0.748 1
1 304 . 9 1 1 A 31 31 HIS HA H 31 4.208 4.274 -0.066 1
1 305 . 9 1 1 A 31 31 HIS CB C 31 28.726 29.610 -0.884 1
1 311 . 9 1 1 A 31 31 HIS C C 31 177.945 177.184 0.761 1
1 313 . 9 1 1 A 32 32 GLN N N 32 119.822 118.662 1.160 1
1 314 . 9 1 1 A 32 32 GLN H H 32 8.680 7.949 0.731 1
1 315 . 9 1 1 A 32 32 GLN CA C 32 59.589 59.297 0.292 1
1 316 . 9 1 1 A 32 32 GLN HA H 32 3.710 3.948 -0.238 1
1 317 . 9 1 1 A 32 32 GLN CB C 32 27.916 28.812 -0.896 1
1 324 . 9 1 1 A 32 32 GLN C C 32 178.170 178.748 -0.578 1
1 327 . 9 1 1 A 33 33 LYS N N 33 118.224 118.808 -0.584 1
1 328 . 9 1 1 A 33 33 LYS H H 33 7.248 7.766 -0.518 1
1 329 . 9 1 1 A 33 33 LYS CA C 33 58.912 58.455 0.457 1
1 330 . 9 1 1 A 33 33 LYS HA H 33 4.050 4.108 -0.058 1
1 331 . 9 1 1 A 33 33 LYS CB C 33 32.160 31.388 0.772 1
1 338 . 9 1 1 A 33 33 LYS C C 33 178.506 178.161 0.345 1
1 343 . 9 1 1 A 34 34 THR N N 34 109.843 111.848 -2.005 1
1 344 . 9 1 1 A 34 34 THR H H 34 7.690 7.921 -0.231 1
1 345 . 9 1 1 A 34 34 THR CA C 34 63.891 64.737 -0.846 1
1 346 . 9 1 1 A 34 34 THR HA H 34 4.047 3.998 0.049 1
1 347 . 9 1 1 A 34 34 THR CB C 34 69.205 68.453 0.752 1
1 353 . 9 1 1 A 34 34 THR C C 34 175.352 176.692 -1.340 1
1 354 . 9 1 1 A 35 35 HIS N N 35 117.905 119.171 -1.266 1
1 355 . 9 1 1 A 35 35 HIS H H 35 6.998 7.273 -0.275 1
1 356 . 9 1 1 A 35 35 HIS CA C 35 55.067 58.712 -3.645 1
1 357 . 9 1 1 A 35 35 HIS HA H 35 4.763 4.269 0.494 1
1 358 . 9 1 1 A 35 35 HIS CB C 35 28.672 30.467 -1.795 1
1 364 . 9 1 1 A 35 35 HIS C C 35 174.592 175.983 -1.391 1
1 366 . 9 1 1 A 36 36 ALA N N 36 123.690 120.156 3.534 1
1 367 . 9 1 1 A 36 36 ALA H H 36 7.542 7.309 0.233 1
1 368 . 9 1 1 A 36 36 ALA CA C 36 52.507 51.227 1.280 1
1 369 . 9 1 1 A 36 36 ALA HA H 36 4.247 4.464 -0.217 1
1 370 . 9 1 1 A 36 36 ALA CB C 36 19.368 19.681 -0.313 1
1 374 . 9 1 1 A 36 36 ALA C C 36 177.263 176.464 0.799 1
1 375 . 9 1 1 A 37 37 ALA N N 37 123.646 126.189 -2.543 1
1 376 . 9 1 1 A 37 37 ALA H H 37 8.194 8.557 -0.363 1
1 377 . 9 1 1 A 37 37 ALA CA C 37 52.517 53.041 -0.524 1
1 378 . 9 1 1 A 37 37 ALA HA H 37 4.244 4.153 0.091 1
1 379 . 9 1 1 A 37 37 ALA CB C 37 19.181 18.589 0.592 1
1 383 . 9 1 1 A 37 37 ALA C C 37 177.787 178.128 -0.341 1
1 384 . 9 1 1 A 38 38 LYS N N 38 120.872 124.874 -4.002 1
1 385 . 9 1 1 A 38 38 LYS H H 38 8.304 9.131 -0.827 1
1 386 . 9 1 1 A 38 38 LYS CA C 38 56.161 57.203 -1.042 1
1 387 . 9 1 1 A 38 38 LYS HA H 38 4.304 3.935 0.369 1
1 388 . 9 1 1 A 38 38 LYS CB C 38 33.014 31.234 1.780 1
1 396 . 9 1 1 A 38 38 LYS C C 38 176.530 175.581 0.949 1
1 401 . 9 1 1 A 40 40 GLY CA C 40 44.610 45.480 -0.870 1
1 402 . 9 1 1 A 40 40 GLY HA3 H 40 4.091 4.040 0.051 1
1 403 . 9 1 1 A 40 40 GLY HA2 H 40 4.091 4.039 0.052 1
1 404 . 9 1 1 A 41 41 PRO CA C 41 63.260 62.500 0.760 1
1 405 . 9 1 1 A 41 41 PRO HA H 41 4.424 4.646 -0.222 1
1 406 . 9 1 1 A 41 41 PRO CB C 41 32.165 33.243 -1.078 1
1 415 . 9 1 1 A 43 43 SER CA C 43 58.325 61.907 -3.582 1
1 416 . 9 1 1 A 43 43 SER HA H 43 4.444 4.175 0.269 1
1 417 . 9 1 1 A 43 43 SER CB C 43 64.067 63.007 1.060 1
1 419 . 9 1 1 A 43 43 SER C C 43 173.889 175.205 -1.316 1
1 1 . 10 1 1 A 8 8 HIS CA C 8 56.286 55.152 1.134 1
1 2 . 10 1 1 A 8 8 HIS HA H 8 4.631 5.104 -0.473 1
1 3 . 10 1 1 A 8 8 HIS CB C 8 30.954 31.761 -0.807 1
1 10 . 10 1 1 A 9 9 THR CA C 9 61.910 60.622 1.288 1
1 11 . 10 1 1 A 9 9 THR HA H 9 4.231 5.039 -0.808 1
1 12 . 10 1 1 A 9 9 THR CB C 9 69.722 71.045 -1.323 1
1 18 . 10 1 1 A 9 9 THR C C 9 174.222 173.896 0.326 1
1 19 . 10 1 1 A 10 10 ARG N N 10 124.169 125.202 -1.033 1
1 20 . 10 1 1 A 10 10 ARG H H 10 8.328 8.646 -0.318 1
1 21 . 10 1 1 A 10 10 ARG CA C 10 56.013 55.928 0.085 1
1 22 . 10 1 1 A 10 10 ARG HA H 10 4.251 4.423 -0.172 1
1 23 . 10 1 1 A 10 10 ARG CB C 10 30.838 30.944 -0.106 1
1 29 . 10 1 1 A 10 10 ARG C C 10 175.968 175.892 0.076 1
1 33 . 10 1 1 A 11 11 LYS N N 11 123.653 120.676 2.977 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.339 8.302 0.037 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 56.035 54.349 1.686 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.174 4.879 -0.705 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 32.967 36.168 -3.201 1
1 44 . 10 1 1 A 11 11 LYS C C 11 175.763 175.411 0.352 1
1 49 . 10 1 1 A 12 12 ARG N N 12 120.724 119.743 0.981 1
1 50 . 10 1 1 A 12 12 ARG H H 12 8.016 8.510 -0.494 1
1 51 . 10 1 1 A 12 12 ARG CA C 12 56.275 54.038 2.237 1
1 52 . 10 1 1 A 12 12 ARG HA H 12 4.204 4.906 -0.702 1
1 53 . 10 1 1 A 12 12 ARG CB C 12 31.979 33.976 -1.997 1
1 59 . 10 1 1 A 12 12 ARG C C 12 175.087 175.580 -0.493 1
1 63 . 10 1 1 A 13 13 TYR N N 13 119.605 121.432 -1.827 1
1 64 . 10 1 1 A 13 13 TYR H H 13 8.559 8.815 -0.256 1
1 65 . 10 1 1 A 13 13 TYR CA C 13 57.661 59.846 -2.185 1
1 66 . 10 1 1 A 13 13 TYR HA H 13 4.601 4.627 -0.026 1
1 67 . 10 1 1 A 13 13 TYR CB C 13 39.557 39.391 0.166 1
1 77 . 10 1 1 A 13 13 TYR C C 13 174.706 175.653 -0.947 1
1 79 . 10 1 1 A 14 14 GLU N N 14 123.907 122.238 1.669 1
1 80 . 10 1 1 A 14 14 GLU H H 14 8.787 8.983 -0.196 1
1 81 . 10 1 1 A 14 14 GLU CA C 14 54.868 54.768 0.100 1
1 82 . 10 1 1 A 14 14 GLU HA H 14 4.858 5.413 -0.555 1
1 83 . 10 1 1 A 14 14 GLU CB C 14 32.614 33.596 -0.982 1
1 87 . 10 1 1 A 14 14 GLU C C 14 175.009 174.139 0.870 1
1 90 . 10 1 1 A 15 15 CYS N N 15 126.801 123.722 3.079 1
1 91 . 10 1 1 A 15 15 CYS H H 15 8.846 8.742 0.104 1
1 92 . 10 1 1 A 15 15 CYS CA C 15 59.805 57.227 2.578 1
1 93 . 10 1 1 A 15 15 CYS HA H 15 4.477 5.176 -0.699 1
1 94 . 10 1 1 A 15 15 CYS CB C 15 29.783 30.647 -0.864 1
1 96 . 10 1 1 A 15 15 CYS C C 15 176.142 175.302 0.840 1
1 98 . 10 1 1 A 16 16 SER CA C 16 60.236 58.261 1.975 1
1 99 . 10 1 1 A 16 16 SER HA H 16 4.429 4.666 -0.237 1
1 100 . 10 1 1 A 16 16 SER CB C 16 63.380 63.187 0.193 1
1 102 . 10 1 1 A 16 16 SER C C 16 174.975 175.103 -0.128 1
1 104 . 10 1 1 A 17 17 LYS N N 17 123.704 121.578 2.126 1
1 105 . 10 1 1 A 17 17 LYS H H 17 9.085 8.014 1.071 1
1 106 . 10 1 1 A 17 17 LYS CA C 17 56.964 57.504 -0.540 1
1 107 . 10 1 1 A 17 17 LYS HA H 17 4.309 4.612 -0.303 1
1 108 . 10 1 1 A 17 17 LYS CB C 17 33.110 35.273 -2.163 1
1 116 . 10 1 1 A 17 17 LYS C C 17 176.454 177.433 -0.979 1
1 121 . 10 1 1 A 18 18 CYS N N 18 117.611 115.305 2.306 1
1 122 . 10 1 1 A 18 18 CYS H H 18 7.842 7.577 0.265 1
1 123 . 10 1 1 A 18 18 CYS CA C 18 58.533 58.181 0.352 1
1 124 . 10 1 1 A 18 18 CYS HA H 18 4.959 4.661 0.298 1
1 125 . 10 1 1 A 18 18 CYS CB C 18 31.098 29.343 1.755 1
1 127 . 10 1 1 A 18 18 CYS C C 18 174.286 174.605 -0.319 1
1 129 . 10 1 1 A 19 19 GLN N N 19 115.380 116.126 -0.746 1
1 130 . 10 1 1 A 19 19 GLN H H 19 8.099 7.782 0.317 1
1 131 . 10 1 1 A 19 19 GLN CA C 19 58.073 57.085 0.988 1
1 132 . 10 1 1 A 19 19 GLN HA H 19 4.196 4.088 0.108 1
1 133 . 10 1 1 A 19 19 GLN CB C 19 27.004 26.149 0.855 1
1 140 . 10 1 1 A 19 19 GLN C C 19 175.057 174.026 1.031 1
1 143 . 10 1 1 A 20 20 ALA N N 20 125.831 121.223 4.608 1
1 144 . 10 1 1 A 20 20 ALA H H 20 8.504 7.819 0.685 1
1 145 . 10 1 1 A 20 20 ALA CA C 20 53.802 50.026 3.776 1
1 146 . 10 1 1 A 20 20 ALA HA H 20 4.022 4.621 -0.599 1
1 147 . 10 1 1 A 20 20 ALA CB C 20 19.769 21.098 -1.329 1
1 151 . 10 1 1 A 20 20 ALA C C 20 176.208 176.813 -0.605 1
1 152 . 10 1 1 A 21 21 THR N N 21 110.430 112.317 -1.887 1
1 153 . 10 1 1 A 21 21 THR H H 21 7.487 8.425 -0.938 1
1 154 . 10 1 1 A 21 21 THR CA C 21 59.643 60.389 -0.746 1
1 155 . 10 1 1 A 21 21 THR HA H 21 5.057 5.280 -0.223 1
1 156 . 10 1 1 A 21 21 THR CB C 21 71.992 70.543 1.449 1
1 162 . 10 1 1 A 21 21 THR C C 21 172.921 173.628 -0.707 1
1 163 . 10 1 1 A 22 22 PHE N N 22 117.143 119.503 -2.360 1
1 164 . 10 1 1 A 22 22 PHE H H 22 8.666 9.095 -0.429 1
1 165 . 10 1 1 A 22 22 PHE CA C 22 57.117 56.548 0.569 1
1 166 . 10 1 1 A 22 22 PHE HA H 22 4.827 4.951 -0.124 1
1 167 . 10 1 1 A 22 22 PHE CB C 22 44.378 43.441 0.937 1
1 179 . 10 1 1 A 22 22 PHE C C 22 174.912 175.640 -0.728 1
1 181 . 10 1 1 A 23 23 ASN CA C 23 54.423 54.480 -0.057 1
1 182 . 10 1 1 A 23 23 ASN HA H 23 5.038 4.858 0.180 1
1 183 . 10 1 1 A 23 23 ASN CB C 23 39.624 39.572 0.052 1
1 188 . 10 1 1 A 23 23 ASN C C 23 174.719 175.084 -0.365 1
1 190 . 10 1 1 A 24 24 LEU N N 24 116.814 118.342 -1.528 1
1 191 . 10 1 1 A 24 24 LEU H H 24 7.520 7.887 -0.367 1
1 192 . 10 1 1 A 24 24 LEU CA C 24 53.161 53.622 -0.461 1
1 193 . 10 1 1 A 24 24 LEU HA H 24 4.774 4.544 0.230 1
1 194 . 10 1 1 A 24 24 LEU CB C 24 44.687 43.087 1.600 1
1 206 . 10 1 1 A 24 24 LEU C C 24 177.051 177.550 -0.499 1
1 208 . 10 1 1 A 25 25 ARG N N 25 127.581 123.002 4.579 1
1 209 . 10 1 1 A 25 25 ARG H H 25 8.517 8.875 -0.358 1
1 210 . 10 1 1 A 25 25 ARG CA C 25 59.593 58.835 0.758 1
1 211 . 10 1 1 A 25 25 ARG HA H 25 2.822 2.752 0.070 1
1 212 . 10 1 1 A 25 25 ARG CB C 25 29.135 29.766 -0.631 1
1 218 . 10 1 1 A 25 25 ARG C C 25 178.315 177.724 0.591 1
1 222 . 10 1 1 A 26 26 LYS N N 26 115.815 117.938 -2.123 1
1 223 . 10 1 1 A 26 26 LYS H H 26 8.495 8.027 0.468 1
1 224 . 10 1 1 A 26 26 LYS CA C 26 59.134 58.732 0.402 1
1 225 . 10 1 1 A 26 26 LYS HA H 26 3.842 4.003 -0.161 1
1 226 . 10 1 1 A 26 26 LYS CB C 26 31.632 31.790 -0.158 1
1 234 . 10 1 1 A 26 26 LYS C C 26 178.251 178.662 -0.411 1
1 239 . 10 1 1 A 27 27 HIS N N 27 117.633 118.798 -1.165 1
1 240 . 10 1 1 A 27 27 HIS H H 27 6.643 8.065 -1.422 1
1 241 . 10 1 1 A 27 27 HIS CA C 27 56.893 58.504 -1.611 1
1 242 . 10 1 1 A 27 27 HIS HA H 27 4.395 4.166 0.229 1
1 243 . 10 1 1 A 27 27 HIS CB C 27 31.346 29.871 1.475 1
1 249 . 10 1 1 A 27 27 HIS C C 27 178.052 177.109 0.943 1
1 251 . 10 1 1 A 28 28 LEU N N 28 122.685 120.079 2.606 1
1 252 . 10 1 1 A 28 28 LEU H H 28 6.932 7.604 -0.672 1
1 253 . 10 1 1 A 28 28 LEU CA C 28 57.937 57.975 -0.038 1
1 254 . 10 1 1 A 28 28 LEU HA H 28 3.236 3.205 0.031 1
1 255 . 10 1 1 A 28 28 LEU CB C 28 40.257 41.837 -1.580 1
1 267 . 10 1 1 A 28 28 LEU C C 28 177.710 178.355 -0.645 1
1 269 . 10 1 1 A 29 29 ILE N N 29 119.595 119.700 -0.105 1
1 270 . 10 1 1 A 29 29 ILE H H 29 8.045 7.556 0.489 1
1 271 . 10 1 1 A 29 29 ILE CA C 29 64.337 65.238 -0.901 1
1 272 . 10 1 1 A 29 29 ILE HA H 29 3.654 3.510 0.144 1
1 273 . 10 1 1 A 29 29 ILE CB C 29 37.272 37.609 -0.337 1
1 285 . 10 1 1 A 29 29 ILE C C 29 179.315 178.208 1.107 1
1 287 . 10 1 1 A 30 30 GLN N N 30 118.156 120.376 -2.220 1
1 288 . 10 1 1 A 30 30 GLN H H 30 7.507 8.194 -0.687 1
1 289 . 10 1 1 A 30 30 GLN CA C 30 58.708 59.005 -0.297 1
1 290 . 10 1 1 A 30 30 GLN HA H 30 3.924 3.866 0.058 1
1 291 . 10 1 1 A 30 30 GLN CB C 30 28.351 28.055 0.296 1
1 298 . 10 1 1 A 30 30 GLN C C 30 178.602 177.868 0.734 1
1 301 . 10 1 1 A 31 31 HIS N N 31 118.789 119.707 -0.918 1
1 302 . 10 1 1 A 31 31 HIS H H 31 7.691 7.983 -0.292 1
1 303 . 10 1 1 A 31 31 HIS CA C 31 59.054 59.627 -0.573 1
1 304 . 10 1 1 A 31 31 HIS HA H 31 4.208 4.228 -0.020 1
1 305 . 10 1 1 A 31 31 HIS CB C 31 28.726 29.489 -0.763 1
1 311 . 10 1 1 A 31 31 HIS C C 31 177.945 176.617 1.328 1
1 313 . 10 1 1 A 32 32 GLN N N 32 119.822 117.599 2.223 1
1 314 . 10 1 1 A 32 32 GLN H H 32 8.680 8.178 0.502 1
1 315 . 10 1 1 A 32 32 GLN CA C 32 59.589 59.299 0.290 1
1 316 . 10 1 1 A 32 32 GLN HA H 32 3.710 3.855 -0.145 1
1 317 . 10 1 1 A 32 32 GLN CB C 32 27.916 28.288 -0.372 1
1 324 . 10 1 1 A 32 32 GLN C C 32 178.170 178.679 -0.509 1
1 327 . 10 1 1 A 33 33 LYS N N 33 118.224 119.218 -0.994 1
1 328 . 10 1 1 A 33 33 LYS H H 33 7.248 7.672 -0.424 1
1 329 . 10 1 1 A 33 33 LYS CA C 33 58.912 59.067 -0.155 1
1 330 . 10 1 1 A 33 33 LYS HA H 33 4.050 3.941 0.109 1
1 331 . 10 1 1 A 33 33 LYS CB C 33 32.160 32.390 -0.230 1
1 338 . 10 1 1 A 33 33 LYS C C 33 178.506 178.924 -0.418 1
1 343 . 10 1 1 A 34 34 THR N N 34 109.843 112.549 -2.706 1
1 344 . 10 1 1 A 34 34 THR H H 34 7.690 8.351 -0.661 1
1 345 . 10 1 1 A 34 34 THR CA C 34 63.891 65.641 -1.750 1
1 346 . 10 1 1 A 34 34 THR HA H 34 4.047 3.944 0.103 1
1 347 . 10 1 1 A 34 34 THR CB C 34 69.205 67.911 1.294 1
1 353 . 10 1 1 A 34 34 THR C C 34 175.352 176.931 -1.579 1
1 354 . 10 1 1 A 35 35 HIS N N 35 117.905 119.892 -1.987 1
1 355 . 10 1 1 A 35 35 HIS H H 35 6.998 8.130 -1.132 1
1 356 . 10 1 1 A 35 35 HIS CA C 35 55.067 59.779 -4.712 1
1 357 . 10 1 1 A 35 35 HIS HA H 35 4.763 4.258 0.505 1
1 358 . 10 1 1 A 35 35 HIS CB C 35 28.672 29.773 -1.101 1
1 364 . 10 1 1 A 35 35 HIS C C 35 174.592 177.760 -3.168 1
1 366 . 10 1 1 A 36 36 ALA N N 36 123.690 121.872 1.818 1
1 367 . 10 1 1 A 36 36 ALA H H 36 7.542 8.022 -0.480 1
1 368 . 10 1 1 A 36 36 ALA CA C 36 52.507 55.348 -2.841 1
1 369 . 10 1 1 A 36 36 ALA HA H 36 4.247 3.923 0.324 1
1 370 . 10 1 1 A 36 36 ALA CB C 36 19.368 18.519 0.849 1
1 374 . 10 1 1 A 36 36 ALA C C 36 177.263 179.542 -2.279 1
1 375 . 10 1 1 A 37 37 ALA N N 37 123.646 119.987 3.659 1
1 376 . 10 1 1 A 37 37 ALA H H 37 8.194 7.686 0.508 1
1 377 . 10 1 1 A 37 37 ALA CA C 37 52.517 55.169 -2.652 1
1 378 . 10 1 1 A 37 37 ALA HA H 37 4.244 4.077 0.167 1
1 379 . 10 1 1 A 37 37 ALA CB C 37 19.181 18.672 0.509 1
1 383 . 10 1 1 A 37 37 ALA C C 37 177.787 178.077 -0.290 1
1 384 . 10 1 1 A 38 38 LYS N N 38 120.872 117.909 2.963 1
1 385 . 10 1 1 A 38 38 LYS H H 38 8.304 7.581 0.723 1
1 386 . 10 1 1 A 38 38 LYS CA C 38 56.161 57.169 -1.008 1
1 387 . 10 1 1 A 38 38 LYS HA H 38 4.304 4.062 0.242 1
1 388 . 10 1 1 A 38 38 LYS CB C 38 33.014 30.185 2.829 1
1 396 . 10 1 1 A 38 38 LYS C C 38 176.530 176.618 -0.088 1
1 401 . 10 1 1 A 40 40 GLY CA C 40 44.610 44.063 0.547 1
1 402 . 10 1 1 A 40 40 GLY HA3 H 40 4.091 4.135 -0.044 1
1 403 . 10 1 1 A 40 40 GLY HA2 H 40 4.091 4.130 -0.039 1
1 404 . 10 1 1 A 41 41 PRO CA C 41 63.260 62.638 0.622 1
1 405 . 10 1 1 A 41 41 PRO HA H 41 4.424 4.635 -0.211 1
1 406 . 10 1 1 A 41 41 PRO CB C 41 32.165 31.417 0.748 1
1 415 . 10 1 1 A 43 43 SER CA C 43 58.325 57.724 0.601 1
1 416 . 10 1 1 A 43 43 SER HA H 43 4.444 4.939 -0.495 1
1 417 . 10 1 1 A 43 43 SER CB C 43 64.067 66.340 -2.273 1
1 419 . 10 1 1 A 43 43 SER C C 43 173.889 173.981 -0.092 1
1 1 . 11 1 1 A 8 8 HIS CA C 8 56.286 59.025 -2.739 1
1 2 . 11 1 1 A 8 8 HIS HA H 8 4.631 4.237 0.394 1
1 3 . 11 1 1 A 8 8 HIS CB C 8 30.954 28.596 2.358 1
1 10 . 11 1 1 A 9 9 THR CA C 9 61.910 61.359 0.551 1
1 11 . 11 1 1 A 9 9 THR HA H 9 4.231 4.289 -0.058 1
1 12 . 11 1 1 A 9 9 THR CB C 9 69.722 69.261 0.461 1
1 18 . 11 1 1 A 9 9 THR C C 9 174.222 174.333 -0.111 1
1 19 . 11 1 1 A 10 10 ARG N N 10 124.169 124.631 -0.462 1
1 20 . 11 1 1 A 10 10 ARG H H 10 8.328 8.404 -0.076 1
1 21 . 11 1 1 A 10 10 ARG CA C 10 56.013 57.327 -1.314 1
1 22 . 11 1 1 A 10 10 ARG HA H 10 4.251 4.160 0.091 1
1 23 . 11 1 1 A 10 10 ARG CB C 10 30.838 31.030 -0.192 1
1 29 . 11 1 1 A 10 10 ARG C C 10 175.968 176.288 -0.320 1
1 33 . 11 1 1 A 11 11 LYS N N 11 123.653 118.164 5.489 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.339 8.733 -0.394 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 56.035 54.365 1.670 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.174 5.133 -0.959 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 32.967 35.514 -2.547 1
1 44 . 11 1 1 A 11 11 LYS C C 11 175.763 175.236 0.527 1
1 49 . 11 1 1 A 12 12 ARG N N 12 120.724 119.988 0.736 1
1 50 . 11 1 1 A 12 12 ARG H H 12 8.016 8.433 -0.417 1
1 51 . 11 1 1 A 12 12 ARG CA C 12 56.275 53.767 2.508 1
1 52 . 11 1 1 A 12 12 ARG HA H 12 4.204 4.578 -0.374 1
1 53 . 11 1 1 A 12 12 ARG CB C 12 31.979 34.517 -2.538 1
1 59 . 11 1 1 A 12 12 ARG C C 12 175.087 174.752 0.335 1
1 63 . 11 1 1 A 13 13 TYR N N 13 119.605 118.345 1.260 1
1 64 . 11 1 1 A 13 13 TYR H H 13 8.559 8.871 -0.312 1
1 65 . 11 1 1 A 13 13 TYR CA C 13 57.661 57.762 -0.101 1
1 66 . 11 1 1 A 13 13 TYR HA H 13 4.601 5.049 -0.448 1
1 67 . 11 1 1 A 13 13 TYR CB C 13 39.557 40.217 -0.660 1
1 77 . 11 1 1 A 13 13 TYR C C 13 174.706 175.089 -0.383 1
1 79 . 11 1 1 A 14 14 GLU N N 14 123.907 121.940 1.967 1
1 80 . 11 1 1 A 14 14 GLU H H 14 8.787 9.060 -0.273 1
1 81 . 11 1 1 A 14 14 GLU CA C 14 54.868 54.595 0.273 1
1 82 . 11 1 1 A 14 14 GLU HA H 14 4.858 5.487 -0.629 1
1 83 . 11 1 1 A 14 14 GLU CB C 14 32.614 33.535 -0.921 1
1 87 . 11 1 1 A 14 14 GLU C C 14 175.009 174.792 0.217 1
1 90 . 11 1 1 A 15 15 CYS N N 15 126.801 122.938 3.863 1
1 91 . 11 1 1 A 15 15 CYS H H 15 8.846 8.851 -0.005 1
1 92 . 11 1 1 A 15 15 CYS CA C 15 59.805 58.247 1.558 1
1 93 . 11 1 1 A 15 15 CYS HA H 15 4.477 4.974 -0.497 1
1 94 . 11 1 1 A 15 15 CYS CB C 15 29.783 29.716 0.067 1
1 96 . 11 1 1 A 15 15 CYS C C 15 176.142 174.803 1.339 1
1 98 . 11 1 1 A 16 16 SER CA C 16 60.236 59.222 1.014 1
1 99 . 11 1 1 A 16 16 SER HA H 16 4.429 4.541 -0.112 1
1 100 . 11 1 1 A 16 16 SER CB C 16 63.380 64.377 -0.997 1
1 102 . 11 1 1 A 16 16 SER C C 16 174.975 175.730 -0.755 1
1 104 . 11 1 1 A 17 17 LYS N N 17 123.704 119.415 4.289 1
1 105 . 11 1 1 A 17 17 LYS H H 17 9.085 7.252 1.833 1
1 106 . 11 1 1 A 17 17 LYS CA C 17 56.964 58.093 -1.129 1
1 107 . 11 1 1 A 17 17 LYS HA H 17 4.309 4.217 0.092 1
1 108 . 11 1 1 A 17 17 LYS CB C 17 33.110 32.532 0.578 1
1 116 . 11 1 1 A 17 17 LYS C C 17 176.454 178.471 -2.017 1
1 121 . 11 1 1 A 18 18 CYS N N 18 117.611 115.417 2.194 1
1 122 . 11 1 1 A 18 18 CYS H H 18 7.842 7.965 -0.123 1
1 123 . 11 1 1 A 18 18 CYS CA C 18 58.533 58.907 -0.374 1
1 124 . 11 1 1 A 18 18 CYS HA H 18 4.959 4.484 0.475 1
1 125 . 11 1 1 A 18 18 CYS CB C 18 31.098 27.776 3.322 1
1 127 . 11 1 1 A 18 18 CYS C C 18 174.286 175.727 -1.441 1
1 129 . 11 1 1 A 19 19 GLN N N 19 115.380 119.890 -4.510 1
1 130 . 11 1 1 A 19 19 GLN H H 19 8.099 8.091 0.008 1
1 131 . 11 1 1 A 19 19 GLN CA C 19 58.073 56.693 1.380 1
1 132 . 11 1 1 A 19 19 GLN HA H 19 4.196 4.323 -0.127 1
1 133 . 11 1 1 A 19 19 GLN CB C 19 27.004 26.360 0.644 1
1 140 . 11 1 1 A 19 19 GLN C C 19 175.057 174.839 0.218 1
1 143 . 11 1 1 A 20 20 ALA N N 20 125.831 122.891 2.940 1
1 144 . 11 1 1 A 20 20 ALA H H 20 8.504 7.873 0.631 1
1 145 . 11 1 1 A 20 20 ALA CA C 20 53.802 51.572 2.230 1
1 146 . 11 1 1 A 20 20 ALA HA H 20 4.022 4.435 -0.413 1
1 147 . 11 1 1 A 20 20 ALA CB C 20 19.769 20.543 -0.774 1
1 151 . 11 1 1 A 20 20 ALA C C 20 176.208 177.645 -1.437 1
1 152 . 11 1 1 A 21 21 THR N N 21 110.430 110.682 -0.252 1
1 153 . 11 1 1 A 21 21 THR H H 21 7.487 8.274 -0.787 1
1 154 . 11 1 1 A 21 21 THR CA C 21 59.643 60.661 -1.018 1
1 155 . 11 1 1 A 21 21 THR HA H 21 5.057 4.945 0.112 1
1 156 . 11 1 1 A 21 21 THR CB C 21 71.992 70.295 1.697 1
1 162 . 11 1 1 A 21 21 THR C C 21 172.921 173.760 -0.839 1
1 163 . 11 1 1 A 22 22 PHE N N 22 117.143 120.070 -2.927 1
1 164 . 11 1 1 A 22 22 PHE H H 22 8.666 9.108 -0.442 1
1 165 . 11 1 1 A 22 22 PHE CA C 22 57.117 56.411 0.706 1
1 166 . 11 1 1 A 22 22 PHE HA H 22 4.827 4.966 -0.139 1
1 167 . 11 1 1 A 22 22 PHE CB C 22 44.378 43.095 1.283 1
1 179 . 11 1 1 A 22 22 PHE C C 22 174.912 175.969 -1.057 1
1 181 . 11 1 1 A 23 23 ASN CA C 23 54.423 55.533 -1.110 1
1 182 . 11 1 1 A 23 23 ASN HA H 23 5.038 4.869 0.169 1
1 183 . 11 1 1 A 23 23 ASN CB C 23 39.624 40.015 -0.391 1
1 188 . 11 1 1 A 23 23 ASN C C 23 174.719 175.721 -1.002 1
1 190 . 11 1 1 A 24 24 LEU N N 24 116.814 117.463 -0.649 1
1 191 . 11 1 1 A 24 24 LEU H H 24 7.520 8.144 -0.624 1
1 192 . 11 1 1 A 24 24 LEU CA C 24 53.161 53.203 -0.042 1
1 193 . 11 1 1 A 24 24 LEU HA H 24 4.774 4.638 0.136 1
1 194 . 11 1 1 A 24 24 LEU CB C 24 44.687 43.505 1.182 1
1 206 . 11 1 1 A 24 24 LEU C C 24 177.051 177.148 -0.097 1
1 208 . 11 1 1 A 25 25 ARG N N 25 127.581 122.917 4.664 1
1 209 . 11 1 1 A 25 25 ARG H H 25 8.517 8.707 -0.190 1
1 210 . 11 1 1 A 25 25 ARG CA C 25 59.593 58.553 1.040 1
1 211 . 11 1 1 A 25 25 ARG HA H 25 2.822 2.970 -0.148 1
1 212 . 11 1 1 A 25 25 ARG CB C 25 29.135 29.607 -0.472 1
1 218 . 11 1 1 A 25 25 ARG C C 25 178.315 177.990 0.325 1
1 222 . 11 1 1 A 26 26 LYS N N 26 115.815 117.600 -1.785 1
1 223 . 11 1 1 A 26 26 LYS H H 26 8.495 7.969 0.526 1
1 224 . 11 1 1 A 26 26 LYS CA C 26 59.134 58.618 0.516 1
1 225 . 11 1 1 A 26 26 LYS HA H 26 3.842 4.045 -0.203 1
1 226 . 11 1 1 A 26 26 LYS CB C 26 31.632 31.545 0.087 1
1 234 . 11 1 1 A 26 26 LYS C C 26 178.251 178.399 -0.148 1
1 239 . 11 1 1 A 27 27 HIS N N 27 117.633 118.483 -0.850 1
1 240 . 11 1 1 A 27 27 HIS H H 27 6.643 7.895 -1.252 1
1 241 . 11 1 1 A 27 27 HIS CA C 27 56.893 59.434 -2.541 1
1 242 . 11 1 1 A 27 27 HIS HA H 27 4.395 4.278 0.117 1
1 243 . 11 1 1 A 27 27 HIS CB C 27 31.346 29.925 1.421 1
1 249 . 11 1 1 A 27 27 HIS C C 27 178.052 177.286 0.766 1
1 251 . 11 1 1 A 28 28 LEU N N 28 122.685 120.186 2.499 1
1 252 . 11 1 1 A 28 28 LEU H H 28 6.932 8.203 -1.271 1
1 253 . 11 1 1 A 28 28 LEU CA C 28 57.937 58.001 -0.064 1
1 254 . 11 1 1 A 28 28 LEU HA H 28 3.236 3.305 -0.069 1
1 255 . 11 1 1 A 28 28 LEU CB C 28 40.257 41.894 -1.637 1
1 267 . 11 1 1 A 28 28 LEU C C 28 177.710 178.433 -0.723 1
1 269 . 11 1 1 A 29 29 ILE N N 29 119.595 119.698 -0.103 1
1 270 . 11 1 1 A 29 29 ILE H H 29 8.045 7.562 0.483 1
1 271 . 11 1 1 A 29 29 ILE CA C 29 64.337 65.765 -1.428 1
1 272 . 11 1 1 A 29 29 ILE HA H 29 3.654 3.498 0.156 1
1 273 . 11 1 1 A 29 29 ILE CB C 29 37.272 37.825 -0.553 1
1 285 . 11 1 1 A 29 29 ILE C C 29 179.315 178.212 1.103 1
1 287 . 11 1 1 A 30 30 GLN N N 30 118.156 120.153 -1.997 1
1 288 . 11 1 1 A 30 30 GLN H H 30 7.507 8.063 -0.556 1
1 289 . 11 1 1 A 30 30 GLN CA C 30 58.708 59.097 -0.389 1
1 290 . 11 1 1 A 30 30 GLN HA H 30 3.924 3.777 0.147 1
1 291 . 11 1 1 A 30 30 GLN CB C 30 28.351 27.961 0.390 1
1 298 . 11 1 1 A 30 30 GLN C C 30 178.602 178.005 0.597 1
1 301 . 11 1 1 A 31 31 HIS N N 31 118.789 119.646 -0.857 1
1 302 . 11 1 1 A 31 31 HIS H H 31 7.691 8.088 -0.397 1
1 303 . 11 1 1 A 31 31 HIS CA C 31 59.054 59.786 -0.732 1
1 304 . 11 1 1 A 31 31 HIS HA H 31 4.208 4.133 0.075 1
1 305 . 11 1 1 A 31 31 HIS CB C 31 28.726 29.570 -0.844 1
1 311 . 11 1 1 A 31 31 HIS C C 31 177.945 176.773 1.172 1
1 313 . 11 1 1 A 32 32 GLN N N 32 119.822 117.458 2.364 1
1 314 . 11 1 1 A 32 32 GLN H H 32 8.680 8.560 0.120 1
1 315 . 11 1 1 A 32 32 GLN CA C 32 59.589 59.066 0.523 1
1 316 . 11 1 1 A 32 32 GLN HA H 32 3.710 3.724 -0.014 1
1 317 . 11 1 1 A 32 32 GLN CB C 32 27.916 28.293 -0.377 1
1 324 . 11 1 1 A 32 32 GLN C C 32 178.170 178.350 -0.180 1
1 327 . 11 1 1 A 33 33 LYS N N 33 118.224 119.607 -1.383 1
1 328 . 11 1 1 A 33 33 LYS H H 33 7.248 7.964 -0.716 1
1 329 . 11 1 1 A 33 33 LYS CA C 33 58.912 59.151 -0.239 1
1 330 . 11 1 1 A 33 33 LYS HA H 33 4.050 3.901 0.149 1
1 331 . 11 1 1 A 33 33 LYS CB C 33 32.160 32.175 -0.015 1
1 338 . 11 1 1 A 33 33 LYS C C 33 178.506 178.538 -0.032 1
1 343 . 11 1 1 A 34 34 THR N N 34 109.843 112.479 -2.636 1
1 344 . 11 1 1 A 34 34 THR H H 34 7.690 8.349 -0.659 1
1 345 . 11 1 1 A 34 34 THR CA C 34 63.891 65.305 -1.414 1
1 346 . 11 1 1 A 34 34 THR HA H 34 4.047 3.995 0.052 1
1 347 . 11 1 1 A 34 34 THR CB C 34 69.205 68.077 1.128 1
1 353 . 11 1 1 A 34 34 THR C C 34 175.352 176.835 -1.483 1
1 354 . 11 1 1 A 35 35 HIS N N 35 117.905 119.433 -1.528 1
1 355 . 11 1 1 A 35 35 HIS H H 35 6.998 7.738 -0.740 1
1 356 . 11 1 1 A 35 35 HIS CA C 35 55.067 59.100 -4.033 1
1 357 . 11 1 1 A 35 35 HIS HA H 35 4.763 4.280 0.483 1
1 358 . 11 1 1 A 35 35 HIS CB C 35 28.672 30.321 -1.649 1
1 364 . 11 1 1 A 35 35 HIS C C 35 174.592 175.905 -1.313 1
1 366 . 11 1 1 A 36 36 ALA N N 36 123.690 121.893 1.797 1
1 367 . 11 1 1 A 36 36 ALA H H 36 7.542 7.748 -0.206 1
1 368 . 11 1 1 A 36 36 ALA CA C 36 52.507 52.867 -0.360 1
1 369 . 11 1 1 A 36 36 ALA HA H 36 4.247 4.117 0.130 1
1 370 . 11 1 1 A 36 36 ALA CB C 36 19.368 19.191 0.177 1
1 374 . 11 1 1 A 36 36 ALA C C 36 177.263 177.644 -0.381 1
1 375 . 11 1 1 A 37 37 ALA N N 37 123.646 125.347 -1.701 1
1 376 . 11 1 1 A 37 37 ALA H H 37 8.194 8.389 -0.195 1
1 377 . 11 1 1 A 37 37 ALA CA C 37 52.517 53.350 -0.833 1
1 378 . 11 1 1 A 37 37 ALA HA H 37 4.244 4.321 -0.077 1
1 379 . 11 1 1 A 37 37 ALA CB C 37 19.181 19.116 0.065 1
1 383 . 11 1 1 A 37 37 ALA C C 37 177.787 176.912 0.875 1
1 384 . 11 1 1 A 38 38 LYS N N 38 120.872 125.200 -4.328 1
1 385 . 11 1 1 A 38 38 LYS H H 38 8.304 8.973 -0.669 1
1 386 . 11 1 1 A 38 38 LYS CA C 38 56.161 57.406 -1.245 1
1 387 . 11 1 1 A 38 38 LYS HA H 38 4.304 4.479 -0.175 1
1 388 . 11 1 1 A 38 38 LYS CB C 38 33.014 34.569 -1.555 1
1 396 . 11 1 1 A 38 38 LYS C C 38 176.530 176.016 0.514 1
1 401 . 11 1 1 A 40 40 GLY CA C 40 44.610 48.082 -3.472 1
1 402 . 11 1 1 A 40 40 GLY HA3 H 40 4.091 3.806 0.285 1
1 403 . 11 1 1 A 40 40 GLY HA2 H 40 4.091 3.805 0.286 1
1 404 . 11 1 1 A 41 41 PRO CA C 41 63.260 63.682 -0.422 1
1 405 . 11 1 1 A 41 41 PRO HA H 41 4.424 4.364 0.060 1
1 406 . 11 1 1 A 41 41 PRO CB C 41 32.165 32.047 0.118 1
1 415 . 11 1 1 A 43 43 SER CA C 43 58.325 59.782 -1.457 1
1 416 . 11 1 1 A 43 43 SER HA H 43 4.444 4.327 0.117 1
1 417 . 11 1 1 A 43 43 SER CB C 43 64.067 62.782 1.285 1
1 419 . 11 1 1 A 43 43 SER C C 43 173.889 174.825 -0.936 1
1 1 . 12 1 1 A 8 8 HIS CA C 8 56.286 57.814 -1.528 1
1 2 . 12 1 1 A 8 8 HIS HA H 8 4.631 4.393 0.238 1
1 3 . 12 1 1 A 8 8 HIS CB C 8 30.954 30.356 0.598 1
1 10 . 12 1 1 A 9 9 THR CA C 9 61.910 61.269 0.641 1
1 11 . 12 1 1 A 9 9 THR HA H 9 4.231 4.717 -0.486 1
1 12 . 12 1 1 A 9 9 THR CB C 9 69.722 70.219 -0.497 1
1 18 . 12 1 1 A 9 9 THR C C 9 174.222 174.287 -0.065 1
1 19 . 12 1 1 A 10 10 ARG N N 10 124.169 120.868 3.301 1
1 20 . 12 1 1 A 10 10 ARG H H 10 8.328 8.572 -0.244 1
1 21 . 12 1 1 A 10 10 ARG CA C 10 56.013 54.707 1.306 1
1 22 . 12 1 1 A 10 10 ARG HA H 10 4.251 5.076 -0.825 1
1 23 . 12 1 1 A 10 10 ARG CB C 10 30.838 34.529 -3.691 1
1 29 . 12 1 1 A 10 10 ARG C C 10 175.968 175.039 0.929 1
1 33 . 12 1 1 A 11 11 LYS N N 11 123.653 122.244 1.409 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.339 8.735 -0.396 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 56.035 54.750 1.285 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.174 5.102 -0.928 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 32.967 35.065 -2.098 1
1 44 . 12 1 1 A 11 11 LYS C C 11 175.763 174.973 0.790 1
1 49 . 12 1 1 A 12 12 ARG N N 12 120.724 122.984 -2.260 1
1 50 . 12 1 1 A 12 12 ARG H H 12 8.016 8.502 -0.486 1
1 51 . 12 1 1 A 12 12 ARG CA C 12 56.275 53.963 2.312 1
1 52 . 12 1 1 A 12 12 ARG HA H 12 4.204 4.539 -0.335 1
1 53 . 12 1 1 A 12 12 ARG CB C 12 31.979 34.118 -2.139 1
1 59 . 12 1 1 A 12 12 ARG C C 12 175.087 175.317 -0.230 1
1 63 . 12 1 1 A 13 13 TYR N N 13 119.605 121.124 -1.519 1
1 64 . 12 1 1 A 13 13 TYR H H 13 8.559 8.158 0.401 1
1 65 . 12 1 1 A 13 13 TYR CA C 13 57.661 59.379 -1.718 1
1 66 . 12 1 1 A 13 13 TYR HA H 13 4.601 4.648 -0.047 1
1 67 . 12 1 1 A 13 13 TYR CB C 13 39.557 39.423 0.134 1
1 77 . 12 1 1 A 13 13 TYR C C 13 174.706 175.936 -1.230 1
1 79 . 12 1 1 A 14 14 GLU N N 14 123.907 121.058 2.849 1
1 80 . 12 1 1 A 14 14 GLU H H 14 8.787 8.904 -0.117 1
1 81 . 12 1 1 A 14 14 GLU CA C 14 54.868 55.275 -0.407 1
1 82 . 12 1 1 A 14 14 GLU HA H 14 4.858 5.217 -0.359 1
1 83 . 12 1 1 A 14 14 GLU CB C 14 32.614 34.024 -1.410 1
1 87 . 12 1 1 A 14 14 GLU C C 14 175.009 174.199 0.810 1
1 90 . 12 1 1 A 15 15 CYS N N 15 126.801 123.884 2.917 1
1 91 . 12 1 1 A 15 15 CYS H H 15 8.846 8.846 0.000 1
1 92 . 12 1 1 A 15 15 CYS CA C 15 59.805 57.198 2.607 1
1 93 . 12 1 1 A 15 15 CYS HA H 15 4.477 5.162 -0.685 1
1 94 . 12 1 1 A 15 15 CYS CB C 15 29.783 30.735 -0.952 1
1 96 . 12 1 1 A 15 15 CYS C C 15 176.142 175.865 0.277 1
1 98 . 12 1 1 A 16 16 SER CA C 16 60.236 58.773 1.463 1
1 99 . 12 1 1 A 16 16 SER HA H 16 4.429 4.635 -0.206 1
1 100 . 12 1 1 A 16 16 SER CB C 16 63.380 63.098 0.282 1
1 102 . 12 1 1 A 16 16 SER C C 16 174.975 175.272 -0.297 1
1 104 . 12 1 1 A 17 17 LYS N N 17 123.704 121.144 2.560 1
1 105 . 12 1 1 A 17 17 LYS H H 17 9.085 8.230 0.855 1
1 106 . 12 1 1 A 17 17 LYS CA C 17 56.964 57.649 -0.685 1
1 107 . 12 1 1 A 17 17 LYS HA H 17 4.309 4.410 -0.101 1
1 108 . 12 1 1 A 17 17 LYS CB C 17 33.110 33.810 -0.700 1
1 116 . 12 1 1 A 17 17 LYS C C 17 176.454 177.654 -1.200 1
1 121 . 12 1 1 A 18 18 CYS N N 18 117.611 115.263 2.348 1
1 122 . 12 1 1 A 18 18 CYS H H 18 7.842 7.969 -0.127 1
1 123 . 12 1 1 A 18 18 CYS CA C 18 58.533 58.126 0.407 1
1 124 . 12 1 1 A 18 18 CYS HA H 18 4.959 4.570 0.389 1
1 125 . 12 1 1 A 18 18 CYS CB C 18 31.098 28.709 2.389 1
1 127 . 12 1 1 A 18 18 CYS C C 18 174.286 174.527 -0.241 1
1 129 . 12 1 1 A 19 19 GLN N N 19 115.380 116.042 -0.662 1
1 130 . 12 1 1 A 19 19 GLN H H 19 8.099 7.898 0.201 1
1 131 . 12 1 1 A 19 19 GLN CA C 19 58.073 57.093 0.980 1
1 132 . 12 1 1 A 19 19 GLN HA H 19 4.196 4.173 0.023 1
1 133 . 12 1 1 A 19 19 GLN CB C 19 27.004 26.118 0.886 1
1 140 . 12 1 1 A 19 19 GLN C C 19 175.057 174.048 1.009 1
1 143 . 12 1 1 A 20 20 ALA N N 20 125.831 120.199 5.632 1
1 144 . 12 1 1 A 20 20 ALA H H 20 8.504 7.835 0.669 1
1 145 . 12 1 1 A 20 20 ALA CA C 20 53.802 50.072 3.730 1
1 146 . 12 1 1 A 20 20 ALA HA H 20 4.022 4.752 -0.730 1
1 147 . 12 1 1 A 20 20 ALA CB C 20 19.769 21.543 -1.774 1
1 151 . 12 1 1 A 20 20 ALA C C 20 176.208 176.544 -0.336 1
1 152 . 12 1 1 A 21 21 THR N N 21 110.430 111.903 -1.473 1
1 153 . 12 1 1 A 21 21 THR H H 21 7.487 8.464 -0.977 1
1 154 . 12 1 1 A 21 21 THR CA C 21 59.643 60.296 -0.653 1
1 155 . 12 1 1 A 21 21 THR HA H 21 5.057 5.111 -0.054 1
1 156 . 12 1 1 A 21 21 THR CB C 21 71.992 70.558 1.434 1
1 162 . 12 1 1 A 21 21 THR C C 21 172.921 173.655 -0.734 1
1 163 . 12 1 1 A 22 22 PHE N N 22 117.143 119.607 -2.464 1
1 164 . 12 1 1 A 22 22 PHE H H 22 8.666 8.947 -0.281 1
1 165 . 12 1 1 A 22 22 PHE CA C 22 57.117 56.623 0.494 1
1 166 . 12 1 1 A 22 22 PHE HA H 22 4.827 5.052 -0.225 1
1 167 . 12 1 1 A 22 22 PHE CB C 22 44.378 43.418 0.960 1
1 179 . 12 1 1 A 22 22 PHE C C 22 174.912 175.857 -0.945 1
1 181 . 12 1 1 A 23 23 ASN CA C 23 54.423 54.376 0.047 1
1 182 . 12 1 1 A 23 23 ASN HA H 23 5.038 4.954 0.084 1
1 183 . 12 1 1 A 23 23 ASN CB C 23 39.624 40.789 -1.165 1
1 188 . 12 1 1 A 23 23 ASN C C 23 174.719 174.696 0.023 1
1 190 . 12 1 1 A 24 24 LEU N N 24 116.814 118.902 -2.088 1
1 191 . 12 1 1 A 24 24 LEU H H 24 7.520 7.996 -0.476 1
1 192 . 12 1 1 A 24 24 LEU CA C 24 53.161 54.005 -0.844 1
1 193 . 12 1 1 A 24 24 LEU HA H 24 4.774 4.523 0.251 1
1 194 . 12 1 1 A 24 24 LEU CB C 24 44.687 42.656 2.031 1
1 206 . 12 1 1 A 24 24 LEU C C 24 177.051 177.327 -0.276 1
1 208 . 12 1 1 A 25 25 ARG N N 25 127.581 124.984 2.597 1
1 209 . 12 1 1 A 25 25 ARG H H 25 8.517 8.905 -0.388 1
1 210 . 12 1 1 A 25 25 ARG CA C 25 59.593 59.559 0.034 1
1 211 . 12 1 1 A 25 25 ARG HA H 25 2.822 3.107 -0.285 1
1 212 . 12 1 1 A 25 25 ARG CB C 25 29.135 29.733 -0.598 1
1 218 . 12 1 1 A 25 25 ARG C C 25 178.315 177.684 0.631 1
1 222 . 12 1 1 A 26 26 LYS N N 26 115.815 117.580 -1.765 1
1 223 . 12 1 1 A 26 26 LYS H H 26 8.495 8.089 0.406 1
1 224 . 12 1 1 A 26 26 LYS CA C 26 59.134 58.935 0.199 1
1 225 . 12 1 1 A 26 26 LYS HA H 26 3.842 4.024 -0.182 1
1 226 . 12 1 1 A 26 26 LYS CB C 26 31.632 32.173 -0.541 1
1 234 . 12 1 1 A 26 26 LYS C C 26 178.251 179.021 -0.770 1
1 239 . 12 1 1 A 27 27 HIS N N 27 117.633 119.300 -1.667 1
1 240 . 12 1 1 A 27 27 HIS H H 27 6.643 8.198 -1.555 1
1 241 . 12 1 1 A 27 27 HIS CA C 27 56.893 58.609 -1.716 1
1 242 . 12 1 1 A 27 27 HIS HA H 27 4.395 4.191 0.204 1
1 243 . 12 1 1 A 27 27 HIS CB C 27 31.346 29.686 1.660 1
1 249 . 12 1 1 A 27 27 HIS C C 27 178.052 177.422 0.630 1
1 251 . 12 1 1 A 28 28 LEU N N 28 122.685 119.947 2.738 1
1 252 . 12 1 1 A 28 28 LEU H H 28 6.932 7.447 -0.515 1
1 253 . 12 1 1 A 28 28 LEU CA C 28 57.937 57.744 0.193 1
1 254 . 12 1 1 A 28 28 LEU HA H 28 3.236 3.198 0.038 1
1 255 . 12 1 1 A 28 28 LEU CB C 28 40.257 41.600 -1.343 1
1 267 . 12 1 1 A 28 28 LEU C C 28 177.710 178.419 -0.709 1
1 269 . 12 1 1 A 29 29 ILE N N 29 119.595 120.002 -0.407 1
1 270 . 12 1 1 A 29 29 ILE H H 29 8.045 7.738 0.307 1
1 271 . 12 1 1 A 29 29 ILE CA C 29 64.337 65.587 -1.250 1
1 272 . 12 1 1 A 29 29 ILE HA H 29 3.654 3.727 -0.073 1
1 273 . 12 1 1 A 29 29 ILE CB C 29 37.272 37.805 -0.533 1
1 285 . 12 1 1 A 29 29 ILE C C 29 179.315 178.139 1.176 1
1 287 . 12 1 1 A 30 30 GLN N N 30 118.156 119.951 -1.795 1
1 288 . 12 1 1 A 30 30 GLN H H 30 7.507 8.264 -0.757 1
1 289 . 12 1 1 A 30 30 GLN CA C 30 58.708 58.677 0.031 1
1 290 . 12 1 1 A 30 30 GLN HA H 30 3.924 3.930 -0.006 1
1 291 . 12 1 1 A 30 30 GLN CB C 30 28.351 28.073 0.278 1
1 298 . 12 1 1 A 30 30 GLN C C 30 178.602 178.085 0.517 1
1 301 . 12 1 1 A 31 31 HIS N N 31 118.789 119.547 -0.758 1
1 302 . 12 1 1 A 31 31 HIS H H 31 7.691 8.127 -0.436 1
1 303 . 12 1 1 A 31 31 HIS CA C 31 59.054 59.674 -0.620 1
1 304 . 12 1 1 A 31 31 HIS HA H 31 4.208 4.202 0.006 1
1 305 . 12 1 1 A 31 31 HIS CB C 31 28.726 29.774 -1.048 1
1 311 . 12 1 1 A 31 31 HIS C C 31 177.945 176.400 1.545 1
1 313 . 12 1 1 A 32 32 GLN N N 32 119.822 117.244 2.578 1
1 314 . 12 1 1 A 32 32 GLN H H 32 8.680 8.399 0.281 1
1 315 . 12 1 1 A 32 32 GLN CA C 32 59.589 59.143 0.446 1
1 316 . 12 1 1 A 32 32 GLN HA H 32 3.710 3.657 0.053 1
1 317 . 12 1 1 A 32 32 GLN CB C 32 27.916 28.122 -0.206 1
1 324 . 12 1 1 A 32 32 GLN C C 32 178.170 178.552 -0.382 1
1 327 . 12 1 1 A 33 33 LYS N N 33 118.224 119.325 -1.101 1
1 328 . 12 1 1 A 33 33 LYS H H 33 7.248 7.980 -0.732 1
1 329 . 12 1 1 A 33 33 LYS CA C 33 58.912 59.374 -0.462 1
1 330 . 12 1 1 A 33 33 LYS HA H 33 4.050 3.873 0.177 1
1 331 . 12 1 1 A 33 33 LYS CB C 33 32.160 32.310 -0.150 1
1 338 . 12 1 1 A 33 33 LYS C C 33 178.506 178.493 0.013 1
1 343 . 12 1 1 A 34 34 THR N N 34 109.843 112.338 -2.495 1
1 344 . 12 1 1 A 34 34 THR H H 34 7.690 8.215 -0.525 1
1 345 . 12 1 1 A 34 34 THR CA C 34 63.891 65.364 -1.473 1
1 346 . 12 1 1 A 34 34 THR HA H 34 4.047 4.003 0.044 1
1 347 . 12 1 1 A 34 34 THR CB C 34 69.205 67.968 1.237 1
1 353 . 12 1 1 A 34 34 THR C C 34 175.352 177.084 -1.732 1
1 354 . 12 1 1 A 35 35 HIS N N 35 117.905 119.696 -1.791 1
1 355 . 12 1 1 A 35 35 HIS H H 35 6.998 7.651 -0.653 1
1 356 . 12 1 1 A 35 35 HIS CA C 35 55.067 59.635 -4.568 1
1 357 . 12 1 1 A 35 35 HIS HA H 35 4.763 4.291 0.472 1
1 358 . 12 1 1 A 35 35 HIS CB C 35 28.672 29.563 -0.891 1
1 364 . 12 1 1 A 35 35 HIS C C 35 174.592 174.671 -0.079 1
1 366 . 12 1 1 A 36 36 ALA N N 36 123.690 120.623 3.067 1
1 367 . 12 1 1 A 36 36 ALA H H 36 7.542 7.969 -0.427 1
1 368 . 12 1 1 A 36 36 ALA CA C 36 52.507 53.158 -0.651 1
1 369 . 12 1 1 A 36 36 ALA HA H 36 4.247 3.843 0.404 1
1 370 . 12 1 1 A 36 36 ALA CB C 36 19.368 17.042 2.326 1
1 374 . 12 1 1 A 36 36 ALA C C 36 177.263 176.809 0.454 1
1 375 . 12 1 1 A 37 37 ALA N N 37 123.646 118.582 5.064 1
1 376 . 12 1 1 A 37 37 ALA H H 37 8.194 7.564 0.630 1
1 377 . 12 1 1 A 37 37 ALA CA C 37 52.517 52.880 -0.363 1
1 378 . 12 1 1 A 37 37 ALA HA H 37 4.244 4.260 -0.016 1
1 379 . 12 1 1 A 37 37 ALA CB C 37 19.181 19.843 -0.662 1
1 383 . 12 1 1 A 37 37 ALA C C 37 177.787 177.076 0.711 1
1 384 . 12 1 1 A 38 38 LYS N N 38 120.872 120.849 0.023 1
1 385 . 12 1 1 A 38 38 LYS H H 38 8.304 8.565 -0.261 1
1 386 . 12 1 1 A 38 38 LYS CA C 38 56.161 54.852 1.309 1
1 387 . 12 1 1 A 38 38 LYS HA H 38 4.304 4.601 -0.297 1
1 388 . 12 1 1 A 38 38 LYS CB C 38 33.014 32.136 0.878 1
1 396 . 12 1 1 A 38 38 LYS C C 38 176.530 176.590 -0.060 1
1 401 . 12 1 1 A 40 40 GLY CA C 40 44.610 45.669 -1.059 1
1 402 . 12 1 1 A 40 40 GLY HA3 H 40 4.091 4.158 -0.067 1
1 403 . 12 1 1 A 40 40 GLY HA2 H 40 4.091 4.158 -0.067 1
1 404 . 12 1 1 A 41 41 PRO CA C 41 63.260 62.838 0.422 1
1 405 . 12 1 1 A 41 41 PRO HA H 41 4.424 4.543 -0.119 1
1 406 . 12 1 1 A 41 41 PRO CB C 41 32.165 32.255 -0.090 1
1 415 . 12 1 1 A 43 43 SER CA C 43 58.325 56.911 1.414 1
1 416 . 12 1 1 A 43 43 SER HA H 43 4.444 4.973 -0.529 1
1 417 . 12 1 1 A 43 43 SER CB C 43 64.067 63.593 0.474 1
1 419 . 12 1 1 A 43 43 SER C C 43 173.889 174.784 -0.895 1
1 1 . 13 1 1 A 8 8 HIS CA C 8 56.286 53.979 2.307 1
1 2 . 13 1 1 A 8 8 HIS HA H 8 4.631 4.724 -0.093 1
1 3 . 13 1 1 A 8 8 HIS CB C 8 30.954 29.351 1.603 1
1 10 . 13 1 1 A 9 9 THR CA C 9 61.910 66.630 -4.720 1
1 11 . 13 1 1 A 9 9 THR HA H 9 4.231 4.023 0.208 1
1 12 . 13 1 1 A 9 9 THR CB C 9 69.722 69.099 0.623 1
1 18 . 13 1 1 A 9 9 THR C C 9 174.222 175.282 -1.060 1
1 19 . 13 1 1 A 10 10 ARG N N 10 124.169 119.952 4.217 1
1 20 . 13 1 1 A 10 10 ARG H H 10 8.328 7.645 0.683 1
1 21 . 13 1 1 A 10 10 ARG CA C 10 56.013 56.235 -0.222 1
1 22 . 13 1 1 A 10 10 ARG HA H 10 4.251 4.402 -0.151 1
1 23 . 13 1 1 A 10 10 ARG CB C 10 30.838 30.682 0.156 1
1 29 . 13 1 1 A 10 10 ARG C C 10 175.968 176.752 -0.784 1
1 33 . 13 1 1 A 11 11 LYS N N 11 123.653 123.543 0.110 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.339 8.551 -0.212 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 56.035 56.427 -0.392 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.174 4.323 -0.149 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 32.967 32.529 0.438 1
1 44 . 13 1 1 A 11 11 LYS C C 11 175.763 176.013 -0.250 1
1 49 . 13 1 1 A 12 12 ARG N N 12 120.724 118.553 2.171 1
1 50 . 13 1 1 A 12 12 ARG H H 12 8.016 7.508 0.508 1
1 51 . 13 1 1 A 12 12 ARG CA C 12 56.275 56.477 -0.202 1
1 52 . 13 1 1 A 12 12 ARG HA H 12 4.204 4.371 -0.167 1
1 53 . 13 1 1 A 12 12 ARG CB C 12 31.979 30.556 1.423 1
1 59 . 13 1 1 A 12 12 ARG C C 12 175.087 175.685 -0.598 1
1 63 . 13 1 1 A 13 13 TYR N N 13 119.605 122.369 -2.764 1
1 64 . 13 1 1 A 13 13 TYR H H 13 8.559 8.687 -0.128 1
1 65 . 13 1 1 A 13 13 TYR CA C 13 57.661 58.184 -0.523 1
1 66 . 13 1 1 A 13 13 TYR HA H 13 4.601 4.812 -0.211 1
1 67 . 13 1 1 A 13 13 TYR CB C 13 39.557 39.911 -0.354 1
1 77 . 13 1 1 A 13 13 TYR C C 13 174.706 176.248 -1.542 1
1 79 . 13 1 1 A 14 14 GLU N N 14 123.907 120.778 3.129 1
1 80 . 13 1 1 A 14 14 GLU H H 14 8.787 9.039 -0.252 1
1 81 . 13 1 1 A 14 14 GLU CA C 14 54.868 54.690 0.178 1
1 82 . 13 1 1 A 14 14 GLU HA H 14 4.858 5.534 -0.676 1
1 83 . 13 1 1 A 14 14 GLU CB C 14 32.614 33.288 -0.674 1
1 87 . 13 1 1 A 14 14 GLU C C 14 175.009 174.751 0.258 1
1 90 . 13 1 1 A 15 15 CYS N N 15 126.801 122.612 4.189 1
1 91 . 13 1 1 A 15 15 CYS H H 15 8.846 8.633 0.213 1
1 92 . 13 1 1 A 15 15 CYS CA C 15 59.805 57.283 2.522 1
1 93 . 13 1 1 A 15 15 CYS HA H 15 4.477 5.143 -0.666 1
1 94 . 13 1 1 A 15 15 CYS CB C 15 29.783 30.765 -0.982 1
1 96 . 13 1 1 A 15 15 CYS C C 15 176.142 175.658 0.484 1
1 98 . 13 1 1 A 16 16 SER CA C 16 60.236 58.791 1.445 1
1 99 . 13 1 1 A 16 16 SER HA H 16 4.429 4.673 -0.244 1
1 100 . 13 1 1 A 16 16 SER CB C 16 63.380 63.221 0.159 1
1 102 . 13 1 1 A 16 16 SER C C 16 174.975 175.136 -0.161 1
1 104 . 13 1 1 A 17 17 LYS N N 17 123.704 120.760 2.944 1
1 105 . 13 1 1 A 17 17 LYS H H 17 9.085 8.378 0.707 1
1 106 . 13 1 1 A 17 17 LYS CA C 17 56.964 57.517 -0.553 1
1 107 . 13 1 1 A 17 17 LYS HA H 17 4.309 4.516 -0.207 1
1 108 . 13 1 1 A 17 17 LYS CB C 17 33.110 34.664 -1.554 1
1 116 . 13 1 1 A 17 17 LYS C C 17 176.454 177.622 -1.168 1
1 121 . 13 1 1 A 18 18 CYS N N 18 117.611 115.232 2.379 1
1 122 . 13 1 1 A 18 18 CYS H H 18 7.842 7.970 -0.128 1
1 123 . 13 1 1 A 18 18 CYS CA C 18 58.533 58.061 0.472 1
1 124 . 13 1 1 A 18 18 CYS HA H 18 4.959 4.575 0.384 1
1 125 . 13 1 1 A 18 18 CYS CB C 18 31.098 28.413 2.685 1
1 127 . 13 1 1 A 18 18 CYS C C 18 174.286 174.436 -0.150 1
1 129 . 13 1 1 A 19 19 GLN N N 19 115.380 116.254 -0.874 1
1 130 . 13 1 1 A 19 19 GLN H H 19 8.099 7.842 0.257 1
1 131 . 13 1 1 A 19 19 GLN CA C 19 58.073 57.074 0.999 1
1 132 . 13 1 1 A 19 19 GLN HA H 19 4.196 4.206 -0.010 1
1 133 . 13 1 1 A 19 19 GLN CB C 19 27.004 26.090 0.914 1
1 140 . 13 1 1 A 19 19 GLN C C 19 175.057 174.106 0.951 1
1 143 . 13 1 1 A 20 20 ALA N N 20 125.831 120.086 5.745 1
1 144 . 13 1 1 A 20 20 ALA H H 20 8.504 7.807 0.697 1
1 145 . 13 1 1 A 20 20 ALA CA C 20 53.802 50.826 2.976 1
1 146 . 13 1 1 A 20 20 ALA HA H 20 4.022 4.674 -0.652 1
1 147 . 13 1 1 A 20 20 ALA CB C 20 19.769 21.508 -1.739 1
1 151 . 13 1 1 A 20 20 ALA C C 20 176.208 176.334 -0.126 1
1 152 . 13 1 1 A 21 21 THR N N 21 110.430 107.908 2.522 1
1 153 . 13 1 1 A 21 21 THR H H 21 7.487 8.446 -0.959 1
1 154 . 13 1 1 A 21 21 THR CA C 21 59.643 59.548 0.095 1
1 155 . 13 1 1 A 21 21 THR HA H 21 5.057 5.547 -0.490 1
1 156 . 13 1 1 A 21 21 THR CB C 21 71.992 71.735 0.257 1
1 162 . 13 1 1 A 21 21 THR C C 21 172.921 173.179 -0.258 1
1 163 . 13 1 1 A 22 22 PHE N N 22 117.143 118.049 -0.906 1
1 164 . 13 1 1 A 22 22 PHE H H 22 8.666 8.466 0.200 1
1 165 . 13 1 1 A 22 22 PHE CA C 22 57.117 56.582 0.535 1
1 166 . 13 1 1 A 22 22 PHE HA H 22 4.827 4.869 -0.042 1
1 167 . 13 1 1 A 22 22 PHE CB C 22 44.378 43.950 0.428 1
1 179 . 13 1 1 A 22 22 PHE C C 22 174.912 175.675 -0.763 1
1 181 . 13 1 1 A 23 23 ASN CA C 23 54.423 55.489 -1.066 1
1 182 . 13 1 1 A 23 23 ASN HA H 23 5.038 4.871 0.167 1
1 183 . 13 1 1 A 23 23 ASN CB C 23 39.624 40.273 -0.649 1
1 188 . 13 1 1 A 23 23 ASN C C 23 174.719 175.644 -0.925 1
1 190 . 13 1 1 A 24 24 LEU N N 24 116.814 117.606 -0.792 1
1 191 . 13 1 1 A 24 24 LEU H H 24 7.520 7.990 -0.470 1
1 192 . 13 1 1 A 24 24 LEU CA C 24 53.161 53.132 0.029 1
1 193 . 13 1 1 A 24 24 LEU HA H 24 4.774 4.721 0.053 1
1 194 . 13 1 1 A 24 24 LEU CB C 24 44.687 43.919 0.768 1
1 206 . 13 1 1 A 24 24 LEU C C 24 177.051 177.138 -0.087 1
1 208 . 13 1 1 A 25 25 ARG N N 25 127.581 123.076 4.505 1
1 209 . 13 1 1 A 25 25 ARG H H 25 8.517 8.746 -0.229 1
1 210 . 13 1 1 A 25 25 ARG CA C 25 59.593 58.063 1.530 1
1 211 . 13 1 1 A 25 25 ARG HA H 25 2.822 3.147 -0.325 1
1 212 . 13 1 1 A 25 25 ARG CB C 25 29.135 30.112 -0.977 1
1 218 . 13 1 1 A 25 25 ARG C C 25 178.315 177.915 0.400 1
1 222 . 13 1 1 A 26 26 LYS N N 26 115.815 117.759 -1.944 1
1 223 . 13 1 1 A 26 26 LYS H H 26 8.495 8.054 0.441 1
1 224 . 13 1 1 A 26 26 LYS CA C 26 59.134 58.900 0.234 1
1 225 . 13 1 1 A 26 26 LYS HA H 26 3.842 4.037 -0.195 1
1 226 . 13 1 1 A 26 26 LYS CB C 26 31.632 31.717 -0.085 1
1 234 . 13 1 1 A 26 26 LYS C C 26 178.251 178.524 -0.273 1
1 239 . 13 1 1 A 27 27 HIS N N 27 117.633 118.861 -1.228 1
1 240 . 13 1 1 A 27 27 HIS H H 27 6.643 7.968 -1.325 1
1 241 . 13 1 1 A 27 27 HIS CA C 27 56.893 59.031 -2.138 1
1 242 . 13 1 1 A 27 27 HIS HA H 27 4.395 4.204 0.191 1
1 243 . 13 1 1 A 27 27 HIS CB C 27 31.346 29.859 1.487 1
1 249 . 13 1 1 A 27 27 HIS C C 27 178.052 177.235 0.817 1
1 251 . 13 1 1 A 28 28 LEU N N 28 122.685 120.291 2.394 1
1 252 . 13 1 1 A 28 28 LEU H H 28 6.932 7.653 -0.721 1
1 253 . 13 1 1 A 28 28 LEU CA C 28 57.937 58.132 -0.195 1
1 254 . 13 1 1 A 28 28 LEU HA H 28 3.236 3.255 -0.019 1
1 255 . 13 1 1 A 28 28 LEU CB C 28 40.257 41.460 -1.203 1
1 267 . 13 1 1 A 28 28 LEU C C 28 177.710 178.460 -0.750 1
1 269 . 13 1 1 A 29 29 ILE N N 29 119.595 119.985 -0.390 1
1 270 . 13 1 1 A 29 29 ILE H H 29 8.045 7.779 0.266 1
1 271 . 13 1 1 A 29 29 ILE CA C 29 64.337 65.621 -1.284 1
1 272 . 13 1 1 A 29 29 ILE HA H 29 3.654 3.455 0.199 1
1 273 . 13 1 1 A 29 29 ILE CB C 29 37.272 37.763 -0.491 1
1 285 . 13 1 1 A 29 29 ILE C C 29 179.315 178.154 1.161 1
1 287 . 13 1 1 A 30 30 GLN N N 30 118.156 119.943 -1.787 1
1 288 . 13 1 1 A 30 30 GLN H H 30 7.507 7.911 -0.404 1
1 289 . 13 1 1 A 30 30 GLN CA C 30 58.708 58.706 0.002 1
1 290 . 13 1 1 A 30 30 GLN HA H 30 3.924 3.887 0.037 1
1 291 . 13 1 1 A 30 30 GLN CB C 30 28.351 28.252 0.099 1
1 298 . 13 1 1 A 30 30 GLN C C 30 178.602 178.309 0.293 1
1 301 . 13 1 1 A 31 31 HIS N N 31 118.789 119.623 -0.834 1
1 302 . 13 1 1 A 31 31 HIS H H 31 7.691 8.309 -0.618 1
1 303 . 13 1 1 A 31 31 HIS CA C 31 59.054 59.677 -0.623 1
1 304 . 13 1 1 A 31 31 HIS HA H 31 4.208 4.178 0.030 1
1 305 . 13 1 1 A 31 31 HIS CB C 31 28.726 29.586 -0.860 1
1 311 . 13 1 1 A 31 31 HIS C C 31 177.945 176.960 0.985 1
1 313 . 13 1 1 A 32 32 GLN N N 32 119.822 117.545 2.277 1
1 314 . 13 1 1 A 32 32 GLN H H 32 8.680 8.335 0.345 1
1 315 . 13 1 1 A 32 32 GLN CA C 32 59.589 59.381 0.208 1
1 316 . 13 1 1 A 32 32 GLN HA H 32 3.710 3.822 -0.112 1
1 317 . 13 1 1 A 32 32 GLN CB C 32 27.916 28.311 -0.395 1
1 324 . 13 1 1 A 32 32 GLN C C 32 178.170 178.641 -0.471 1
1 327 . 13 1 1 A 33 33 LYS N N 33 118.224 119.370 -1.146 1
1 328 . 13 1 1 A 33 33 LYS H H 33 7.248 8.045 -0.797 1
1 329 . 13 1 1 A 33 33 LYS CA C 33 58.912 58.912 0.000 1
1 330 . 13 1 1 A 33 33 LYS HA H 33 4.050 3.957 0.093 1
1 331 . 13 1 1 A 33 33 LYS CB C 33 32.160 32.399 -0.239 1
1 338 . 13 1 1 A 33 33 LYS C C 33 178.506 178.838 -0.332 1
1 343 . 13 1 1 A 34 34 THR N N 34 109.843 112.617 -2.774 1
1 344 . 13 1 1 A 34 34 THR H H 34 7.690 8.268 -0.578 1
1 345 . 13 1 1 A 34 34 THR CA C 34 63.891 65.550 -1.659 1
1 346 . 13 1 1 A 34 34 THR HA H 34 4.047 3.919 0.128 1
1 347 . 13 1 1 A 34 34 THR CB C 34 69.205 67.899 1.306 1
1 353 . 13 1 1 A 34 34 THR C C 34 175.352 175.743 -0.391 1
1 354 . 13 1 1 A 35 35 HIS N N 35 117.905 119.317 -1.412 1
1 355 . 13 1 1 A 35 35 HIS H H 35 6.998 7.836 -0.838 1
1 356 . 13 1 1 A 35 35 HIS CA C 35 55.067 55.978 -0.911 1
1 357 . 13 1 1 A 35 35 HIS HA H 35 4.763 4.555 0.208 1
1 358 . 13 1 1 A 35 35 HIS CB C 35 28.672 29.234 -0.562 1
1 364 . 13 1 1 A 35 35 HIS C C 35 174.592 174.409 0.183 1
1 366 . 13 1 1 A 36 36 ALA N N 36 123.690 122.909 0.781 1
1 367 . 13 1 1 A 36 36 ALA H H 36 7.542 7.715 -0.173 1
1 368 . 13 1 1 A 36 36 ALA CA C 36 52.507 50.614 1.893 1
1 369 . 13 1 1 A 36 36 ALA HA H 36 4.247 4.406 -0.159 1
1 370 . 13 1 1 A 36 36 ALA CB C 36 19.368 20.624 -1.256 1
1 374 . 13 1 1 A 36 36 ALA C C 36 177.263 177.490 -0.227 1
1 375 . 13 1 1 A 37 37 ALA N N 37 123.646 126.141 -2.495 1
1 376 . 13 1 1 A 37 37 ALA H H 37 8.194 8.645 -0.451 1
1 377 . 13 1 1 A 37 37 ALA CA C 37 52.517 52.285 0.232 1
1 378 . 13 1 1 A 37 37 ALA HA H 37 4.244 4.405 -0.161 1
1 379 . 13 1 1 A 37 37 ALA CB C 37 19.181 17.652 1.529 1
1 383 . 13 1 1 A 37 37 ALA C C 37 177.787 176.222 1.565 1
1 384 . 13 1 1 A 38 38 LYS N N 38 120.872 115.150 5.722 1
1 385 . 13 1 1 A 38 38 LYS H H 38 8.304 7.999 0.305 1
1 386 . 13 1 1 A 38 38 LYS CA C 38 56.161 55.248 0.913 1
1 387 . 13 1 1 A 38 38 LYS HA H 38 4.304 4.973 -0.669 1
1 388 . 13 1 1 A 38 38 LYS CB C 38 33.014 35.385 -2.371 1
1 396 . 13 1 1 A 38 38 LYS C C 38 176.530 174.768 1.762 1
1 401 . 13 1 1 A 40 40 GLY CA C 40 44.610 43.884 0.726 1
1 402 . 13 1 1 A 40 40 GLY HA3 H 40 4.091 4.109 -0.018 1
1 403 . 13 1 1 A 40 40 GLY HA2 H 40 4.091 4.107 -0.016 1
1 404 . 13 1 1 A 41 41 PRO CA C 41 63.260 63.710 -0.450 1
1 405 . 13 1 1 A 41 41 PRO HA H 41 4.424 4.575 -0.151 1
1 406 . 13 1 1 A 41 41 PRO CB C 41 32.165 32.145 0.020 1
1 415 . 13 1 1 A 43 43 SER CA C 43 58.325 56.967 1.358 1
1 416 . 13 1 1 A 43 43 SER HA H 43 4.444 4.949 -0.505 1
1 417 . 13 1 1 A 43 43 SER CB C 43 64.067 65.892 -1.825 1
1 419 . 13 1 1 A 43 43 SER C C 43 173.889 173.255 0.634 1
1 1 . 14 1 1 A 8 8 HIS CA C 8 56.286 56.031 0.255 1
1 2 . 14 1 1 A 8 8 HIS HA H 8 4.631 4.673 -0.042 1
1 3 . 14 1 1 A 8 8 HIS CB C 8 30.954 29.872 1.082 1
1 10 . 14 1 1 A 9 9 THR CA C 9 61.910 60.498 1.412 1
1 11 . 14 1 1 A 9 9 THR HA H 9 4.231 4.517 -0.286 1
1 12 . 14 1 1 A 9 9 THR CB C 9 69.722 69.116 0.606 1
1 18 . 14 1 1 A 9 9 THR C C 9 174.222 173.464 0.758 1
1 19 . 14 1 1 A 10 10 ARG N N 10 124.169 123.312 0.857 1
1 20 . 14 1 1 A 10 10 ARG H H 10 8.328 6.884 1.444 1
1 21 . 14 1 1 A 10 10 ARG CA C 10 56.013 54.320 1.693 1
1 22 . 14 1 1 A 10 10 ARG HA H 10 4.251 4.443 -0.192 1
1 23 . 14 1 1 A 10 10 ARG CB C 10 30.838 30.317 0.521 1
1 29 . 14 1 1 A 10 10 ARG C C 10 175.968 175.510 0.458 1
1 33 . 14 1 1 A 11 11 LYS N N 11 123.653 127.270 -3.617 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.339 8.801 -0.462 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 56.035 56.972 -0.937 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.174 4.445 -0.271 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 32.967 33.612 -0.645 1
1 44 . 14 1 1 A 11 11 LYS C C 11 175.763 175.521 0.242 1
1 49 . 14 1 1 A 12 12 ARG N N 12 120.724 118.013 2.711 1
1 50 . 14 1 1 A 12 12 ARG H H 12 8.016 7.319 0.697 1
1 51 . 14 1 1 A 12 12 ARG CA C 12 56.275 54.144 2.131 1
1 52 . 14 1 1 A 12 12 ARG HA H 12 4.204 4.611 -0.407 1
1 53 . 14 1 1 A 12 12 ARG CB C 12 31.979 34.658 -2.679 1
1 59 . 14 1 1 A 12 12 ARG C C 12 175.087 174.676 0.411 1
1 63 . 14 1 1 A 13 13 TYR N N 13 119.605 120.525 -0.920 1
1 64 . 14 1 1 A 13 13 TYR H H 13 8.559 8.937 -0.378 1
1 65 . 14 1 1 A 13 13 TYR CA C 13 57.661 58.081 -0.420 1
1 66 . 14 1 1 A 13 13 TYR HA H 13 4.601 4.879 -0.278 1
1 67 . 14 1 1 A 13 13 TYR CB C 13 39.557 39.876 -0.319 1
1 77 . 14 1 1 A 13 13 TYR C C 13 174.706 175.248 -0.542 1
1 79 . 14 1 1 A 14 14 GLU N N 14 123.907 122.739 1.168 1
1 80 . 14 1 1 A 14 14 GLU H H 14 8.787 9.053 -0.266 1
1 81 . 14 1 1 A 14 14 GLU CA C 14 54.868 54.468 0.400 1
1 82 . 14 1 1 A 14 14 GLU HA H 14 4.858 5.380 -0.522 1
1 83 . 14 1 1 A 14 14 GLU CB C 14 32.614 33.435 -0.821 1
1 87 . 14 1 1 A 14 14 GLU C C 14 175.009 175.104 -0.095 1
1 90 . 14 1 1 A 15 15 CYS N N 15 126.801 124.630 2.171 1
1 91 . 14 1 1 A 15 15 CYS H H 15 8.846 9.168 -0.322 1
1 92 . 14 1 1 A 15 15 CYS CA C 15 59.805 59.197 0.608 1
1 93 . 14 1 1 A 15 15 CYS HA H 15 4.477 4.893 -0.416 1
1 94 . 14 1 1 A 15 15 CYS CB C 15 29.783 29.366 0.417 1
1 96 . 14 1 1 A 15 15 CYS C C 15 176.142 174.751 1.391 1
1 98 . 14 1 1 A 16 16 SER CA C 16 60.236 58.844 1.392 1
1 99 . 14 1 1 A 16 16 SER HA H 16 4.429 4.620 -0.191 1
1 100 . 14 1 1 A 16 16 SER CB C 16 63.380 64.546 -1.166 1
1 102 . 14 1 1 A 16 16 SER C C 16 174.975 175.712 -0.737 1
1 104 . 14 1 1 A 17 17 LYS N N 17 123.704 119.052 4.652 1
1 105 . 14 1 1 A 17 17 LYS H H 17 9.085 7.659 1.426 1
1 106 . 14 1 1 A 17 17 LYS CA C 17 56.964 57.824 -0.860 1
1 107 . 14 1 1 A 17 17 LYS HA H 17 4.309 4.271 0.038 1
1 108 . 14 1 1 A 17 17 LYS CB C 17 33.110 32.974 0.136 1
1 116 . 14 1 1 A 17 17 LYS C C 17 176.454 178.308 -1.854 1
1 121 . 14 1 1 A 18 18 CYS N N 18 117.611 115.438 2.173 1
1 122 . 14 1 1 A 18 18 CYS H H 18 7.842 7.947 -0.105 1
1 123 . 14 1 1 A 18 18 CYS CA C 18 58.533 58.696 -0.163 1
1 124 . 14 1 1 A 18 18 CYS HA H 18 4.959 4.502 0.457 1
1 125 . 14 1 1 A 18 18 CYS CB C 18 31.098 27.311 3.787 1
1 127 . 14 1 1 A 18 18 CYS C C 18 174.286 175.439 -1.153 1
1 129 . 14 1 1 A 19 19 GLN N N 19 115.380 118.900 -3.520 1
1 130 . 14 1 1 A 19 19 GLN H H 19 8.099 8.059 0.040 1
1 131 . 14 1 1 A 19 19 GLN CA C 19 58.073 56.673 1.400 1
1 132 . 14 1 1 A 19 19 GLN HA H 19 4.196 4.162 0.034 1
1 133 . 14 1 1 A 19 19 GLN CB C 19 27.004 26.572 0.432 1
1 140 . 14 1 1 A 19 19 GLN C C 19 175.057 174.782 0.275 1
1 143 . 14 1 1 A 20 20 ALA N N 20 125.831 122.450 3.381 1
1 144 . 14 1 1 A 20 20 ALA H H 20 8.504 7.917 0.587 1
1 145 . 14 1 1 A 20 20 ALA CA C 20 53.802 50.827 2.975 1
1 146 . 14 1 1 A 20 20 ALA HA H 20 4.022 4.661 -0.639 1
1 147 . 14 1 1 A 20 20 ALA CB C 20 19.769 22.130 -2.361 1
1 151 . 14 1 1 A 20 20 ALA C C 20 176.208 176.921 -0.713 1
1 152 . 14 1 1 A 21 21 THR N N 21 110.430 109.158 1.272 1
1 153 . 14 1 1 A 21 21 THR H H 21 7.487 8.449 -0.962 1
1 154 . 14 1 1 A 21 21 THR CA C 21 59.643 59.238 0.405 1
1 155 . 14 1 1 A 21 21 THR HA H 21 5.057 5.264 -0.207 1
1 156 . 14 1 1 A 21 21 THR CB C 21 71.992 71.317 0.675 1
1 162 . 14 1 1 A 21 21 THR C C 21 172.921 173.239 -0.318 1
1 163 . 14 1 1 A 22 22 PHE N N 22 117.143 119.117 -1.974 1
1 164 . 14 1 1 A 22 22 PHE H H 22 8.666 8.562 0.104 1
1 165 . 14 1 1 A 22 22 PHE CA C 22 57.117 56.263 0.854 1
1 166 . 14 1 1 A 22 22 PHE HA H 22 4.827 4.880 -0.053 1
1 167 . 14 1 1 A 22 22 PHE CB C 22 44.378 43.923 0.455 1
1 179 . 14 1 1 A 22 22 PHE C C 22 174.912 175.437 -0.525 1
1 181 . 14 1 1 A 23 23 ASN CA C 23 54.423 54.709 -0.286 1
1 182 . 14 1 1 A 23 23 ASN HA H 23 5.038 4.832 0.206 1
1 183 . 14 1 1 A 23 23 ASN CB C 23 39.624 39.891 -0.267 1
1 188 . 14 1 1 A 23 23 ASN C C 23 174.719 174.247 0.472 1
1 190 . 14 1 1 A 24 24 LEU N N 24 116.814 118.283 -1.469 1
1 191 . 14 1 1 A 24 24 LEU H H 24 7.520 8.108 -0.588 1
1 192 . 14 1 1 A 24 24 LEU CA C 24 53.161 53.752 -0.591 1
1 193 . 14 1 1 A 24 24 LEU HA H 24 4.774 4.658 0.116 1
1 194 . 14 1 1 A 24 24 LEU CB C 24 44.687 43.233 1.454 1
1 206 . 14 1 1 A 24 24 LEU C C 24 177.051 177.104 -0.053 1
1 208 . 14 1 1 A 25 25 ARG N N 25 127.581 126.611 0.970 1
1 209 . 14 1 1 A 25 25 ARG H H 25 8.517 8.932 -0.415 1
1 210 . 14 1 1 A 25 25 ARG CA C 25 59.593 59.309 0.284 1
1 211 . 14 1 1 A 25 25 ARG HA H 25 2.822 3.062 -0.240 1
1 212 . 14 1 1 A 25 25 ARG CB C 25 29.135 29.538 -0.403 1
1 218 . 14 1 1 A 25 25 ARG C C 25 178.315 177.647 0.668 1
1 222 . 14 1 1 A 26 26 LYS N N 26 115.815 119.034 -3.219 1
1 223 . 14 1 1 A 26 26 LYS H H 26 8.495 7.780 0.715 1
1 224 . 14 1 1 A 26 26 LYS CA C 26 59.134 59.090 0.044 1
1 225 . 14 1 1 A 26 26 LYS HA H 26 3.842 3.961 -0.119 1
1 226 . 14 1 1 A 26 26 LYS CB C 26 31.632 32.081 -0.449 1
1 234 . 14 1 1 A 26 26 LYS C C 26 178.251 179.068 -0.817 1
1 239 . 14 1 1 A 27 27 HIS N N 27 117.633 118.240 -0.607 1
1 240 . 14 1 1 A 27 27 HIS H H 27 6.643 8.438 -1.795 1
1 241 . 14 1 1 A 27 27 HIS CA C 27 56.893 59.240 -2.347 1
1 242 . 14 1 1 A 27 27 HIS HA H 27 4.395 4.255 0.140 1
1 243 . 14 1 1 A 27 27 HIS CB C 27 31.346 29.824 1.522 1
1 249 . 14 1 1 A 27 27 HIS C C 27 178.052 177.255 0.797 1
1 251 . 14 1 1 A 28 28 LEU N N 28 122.685 119.809 2.876 1
1 252 . 14 1 1 A 28 28 LEU H H 28 6.932 7.773 -0.841 1
1 253 . 14 1 1 A 28 28 LEU CA C 28 57.937 57.726 0.211 1
1 254 . 14 1 1 A 28 28 LEU HA H 28 3.236 3.235 0.001 1
1 255 . 14 1 1 A 28 28 LEU CB C 28 40.257 41.596 -1.339 1
1 267 . 14 1 1 A 28 28 LEU C C 28 177.710 178.333 -0.623 1
1 269 . 14 1 1 A 29 29 ILE N N 29 119.595 119.717 -0.122 1
1 270 . 14 1 1 A 29 29 ILE H H 29 8.045 7.714 0.331 1
1 271 . 14 1 1 A 29 29 ILE CA C 29 64.337 65.751 -1.414 1
1 272 . 14 1 1 A 29 29 ILE HA H 29 3.654 3.451 0.203 1
1 273 . 14 1 1 A 29 29 ILE CB C 29 37.272 37.831 -0.559 1
1 285 . 14 1 1 A 29 29 ILE C C 29 179.315 177.979 1.336 1
1 287 . 14 1 1 A 30 30 GLN N N 30 118.156 118.081 0.075 1
1 288 . 14 1 1 A 30 30 GLN H H 30 7.507 8.018 -0.511 1
1 289 . 14 1 1 A 30 30 GLN CA C 30 58.708 58.713 -0.005 1
1 290 . 14 1 1 A 30 30 GLN HA H 30 3.924 3.966 -0.042 1
1 291 . 14 1 1 A 30 30 GLN CB C 30 28.351 28.469 -0.118 1
1 298 . 14 1 1 A 30 30 GLN C C 30 178.602 178.070 0.532 1
1 301 . 14 1 1 A 31 31 HIS N N 31 118.789 120.729 -1.940 1
1 302 . 14 1 1 A 31 31 HIS H H 31 7.691 8.135 -0.444 1
1 303 . 14 1 1 A 31 31 HIS CA C 31 59.054 60.098 -1.044 1
1 304 . 14 1 1 A 31 31 HIS HA H 31 4.208 4.092 0.116 1
1 305 . 14 1 1 A 31 31 HIS CB C 31 28.726 29.291 -0.565 1
1 311 . 14 1 1 A 31 31 HIS C C 31 177.945 177.358 0.587 1
1 313 . 14 1 1 A 32 32 GLN N N 32 119.822 117.997 1.825 1
1 314 . 14 1 1 A 32 32 GLN H H 32 8.680 7.928 0.752 1
1 315 . 14 1 1 A 32 32 GLN CA C 32 59.589 58.222 1.367 1
1 316 . 14 1 1 A 32 32 GLN HA H 32 3.710 3.748 -0.038 1
1 317 . 14 1 1 A 32 32 GLN CB C 32 27.916 28.174 -0.258 1
1 324 . 14 1 1 A 32 32 GLN C C 32 178.170 178.727 -0.557 1
1 327 . 14 1 1 A 33 33 LYS N N 33 118.224 120.010 -1.786 1
1 328 . 14 1 1 A 33 33 LYS H H 33 7.248 7.816 -0.568 1
1 329 . 14 1 1 A 33 33 LYS CA C 33 58.912 59.548 -0.636 1
1 330 . 14 1 1 A 33 33 LYS HA H 33 4.050 4.013 0.037 1
1 331 . 14 1 1 A 33 33 LYS CB C 33 32.160 32.159 0.001 1
1 338 . 14 1 1 A 33 33 LYS C C 33 178.506 179.674 -1.168 1
1 343 . 14 1 1 A 34 34 THR N N 34 109.843 114.593 -4.750 1
1 344 . 14 1 1 A 34 34 THR H H 34 7.690 7.943 -0.253 1
1 345 . 14 1 1 A 34 34 THR CA C 34 63.891 64.294 -0.403 1
1 346 . 14 1 1 A 34 34 THR HA H 34 4.047 3.965 0.082 1
1 347 . 14 1 1 A 34 34 THR CB C 34 69.205 68.472 0.733 1
1 353 . 14 1 1 A 34 34 THR C C 34 175.352 175.514 -0.162 1
1 354 . 14 1 1 A 35 35 HIS N N 35 117.905 116.827 1.078 1
1 355 . 14 1 1 A 35 35 HIS H H 35 6.998 7.427 -0.429 1
1 356 . 14 1 1 A 35 35 HIS CA C 35 55.067 55.318 -0.251 1
1 357 . 14 1 1 A 35 35 HIS HA H 35 4.763 4.714 0.049 1
1 358 . 14 1 1 A 35 35 HIS CB C 35 28.672 29.350 -0.678 1
1 364 . 14 1 1 A 35 35 HIS C C 35 174.592 175.129 -0.537 1
1 366 . 14 1 1 A 36 36 ALA N N 36 123.690 122.650 1.040 1
1 367 . 14 1 1 A 36 36 ALA H H 36 7.542 7.589 -0.047 1
1 368 . 14 1 1 A 36 36 ALA CA C 36 52.507 52.405 0.102 1
1 369 . 14 1 1 A 36 36 ALA HA H 36 4.247 4.137 0.110 1
1 370 . 14 1 1 A 36 36 ALA CB C 36 19.368 19.354 0.014 1
1 374 . 14 1 1 A 36 36 ALA C C 36 177.263 176.828 0.435 1
1 375 . 14 1 1 A 37 37 ALA N N 37 123.646 121.118 2.528 1
1 376 . 14 1 1 A 37 37 ALA H H 37 8.194 8.539 -0.345 1
1 377 . 14 1 1 A 37 37 ALA CA C 37 52.517 54.290 -1.773 1
1 378 . 14 1 1 A 37 37 ALA HA H 37 4.244 4.316 -0.072 1
1 379 . 14 1 1 A 37 37 ALA CB C 37 19.181 19.665 -0.484 1
1 383 . 14 1 1 A 37 37 ALA C C 37 177.787 177.697 0.090 1
1 384 . 14 1 1 A 38 38 LYS N N 38 120.872 120.143 0.729 1
1 385 . 14 1 1 A 38 38 LYS H H 38 8.304 7.643 0.661 1
1 386 . 14 1 1 A 38 38 LYS CA C 38 56.161 57.182 -1.021 1
1 387 . 14 1 1 A 38 38 LYS HA H 38 4.304 4.178 0.126 1
1 388 . 14 1 1 A 38 38 LYS CB C 38 33.014 32.718 0.296 1
1 396 . 14 1 1 A 38 38 LYS C C 38 176.530 175.711 0.819 1
1 401 . 14 1 1 A 40 40 GLY CA C 40 44.610 46.002 -1.392 1
1 402 . 14 1 1 A 40 40 GLY HA3 H 40 4.091 4.068 0.023 1
1 403 . 14 1 1 A 40 40 GLY HA2 H 40 4.091 4.067 0.024 1
1 404 . 14 1 1 A 41 41 PRO CA C 41 63.260 64.215 -0.955 1
1 405 . 14 1 1 A 41 41 PRO HA H 41 4.424 4.361 0.063 1
1 406 . 14 1 1 A 41 41 PRO CB C 41 32.165 31.738 0.427 1
1 415 . 14 1 1 A 43 43 SER CA C 43 58.325 60.506 -2.181 1
1 416 . 14 1 1 A 43 43 SER HA H 43 4.444 4.240 0.204 1
1 417 . 14 1 1 A 43 43 SER CB C 43 64.067 63.289 0.778 1
1 419 . 14 1 1 A 43 43 SER C C 43 173.889 175.560 -1.671 1
1 1 . 15 1 1 A 8 8 HIS CA C 8 56.286 54.956 1.330 1
1 2 . 15 1 1 A 8 8 HIS HA H 8 4.631 4.653 -0.022 1
1 3 . 15 1 1 A 8 8 HIS CB C 8 30.954 28.401 2.553 1
1 10 . 15 1 1 A 9 9 THR CA C 9 61.910 61.689 0.221 1
1 11 . 15 1 1 A 9 9 THR HA H 9 4.231 4.259 -0.028 1
1 12 . 15 1 1 A 9 9 THR CB C 9 69.722 69.671 0.051 1
1 18 . 15 1 1 A 9 9 THR C C 9 174.222 174.353 -0.131 1
1 19 . 15 1 1 A 10 10 ARG N N 10 124.169 121.118 3.051 1
1 20 . 15 1 1 A 10 10 ARG H H 10 8.328 8.946 -0.618 1
1 21 . 15 1 1 A 10 10 ARG CA C 10 56.013 57.075 -1.062 1
1 22 . 15 1 1 A 10 10 ARG HA H 10 4.251 4.025 0.226 1
1 23 . 15 1 1 A 10 10 ARG CB C 10 30.838 29.258 1.580 1
1 29 . 15 1 1 A 10 10 ARG C C 10 175.968 176.301 -0.333 1
1 33 . 15 1 1 A 11 11 LYS N N 11 123.653 118.988 4.665 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.339 7.896 0.443 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 56.035 56.273 -0.238 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.174 4.420 -0.246 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 32.967 33.540 -0.573 1
1 44 . 15 1 1 A 11 11 LYS C C 11 175.763 175.464 0.299 1
1 49 . 15 1 1 A 12 12 ARG N N 12 120.724 118.483 2.241 1
1 50 . 15 1 1 A 12 12 ARG H H 12 8.016 7.391 0.625 1
1 51 . 15 1 1 A 12 12 ARG CA C 12 56.275 54.332 1.943 1
1 52 . 15 1 1 A 12 12 ARG HA H 12 4.204 4.575 -0.371 1
1 53 . 15 1 1 A 12 12 ARG CB C 12 31.979 34.156 -2.177 1
1 59 . 15 1 1 A 12 12 ARG C C 12 175.087 175.049 0.038 1
1 63 . 15 1 1 A 13 13 TYR N N 13 119.605 121.045 -1.440 1
1 64 . 15 1 1 A 13 13 TYR H H 13 8.559 8.615 -0.056 1
1 65 . 15 1 1 A 13 13 TYR CA C 13 57.661 59.870 -2.209 1
1 66 . 15 1 1 A 13 13 TYR HA H 13 4.601 4.532 0.069 1
1 67 . 15 1 1 A 13 13 TYR CB C 13 39.557 39.332 0.225 1
1 77 . 15 1 1 A 13 13 TYR C C 13 174.706 175.570 -0.864 1
1 79 . 15 1 1 A 14 14 GLU N N 14 123.907 123.744 0.163 1
1 80 . 15 1 1 A 14 14 GLU H H 14 8.787 9.006 -0.219 1
1 81 . 15 1 1 A 14 14 GLU CA C 14 54.868 54.726 0.142 1
1 82 . 15 1 1 A 14 14 GLU HA H 14 4.858 5.355 -0.497 1
1 83 . 15 1 1 A 14 14 GLU CB C 14 32.614 33.401 -0.787 1
1 87 . 15 1 1 A 14 14 GLU C C 14 175.009 175.461 -0.452 1
1 90 . 15 1 1 A 15 15 CYS N N 15 126.801 126.007 0.794 1
1 91 . 15 1 1 A 15 15 CYS H H 15 8.846 8.891 -0.045 1
1 92 . 15 1 1 A 15 15 CYS CA C 15 59.805 58.884 0.921 1
1 93 . 15 1 1 A 15 15 CYS HA H 15 4.477 4.636 -0.159 1
1 94 . 15 1 1 A 15 15 CYS CB C 15 29.783 28.465 1.318 1
1 96 . 15 1 1 A 15 15 CYS C C 15 176.142 176.388 -0.246 1
1 98 . 15 1 1 A 16 16 SER CA C 16 60.236 59.291 0.945 1
1 99 . 15 1 1 A 16 16 SER HA H 16 4.429 4.484 -0.055 1
1 100 . 15 1 1 A 16 16 SER CB C 16 63.380 63.057 0.323 1
1 102 . 15 1 1 A 16 16 SER C C 16 174.975 175.347 -0.372 1
1 104 . 15 1 1 A 17 17 LYS N N 17 123.704 118.701 5.003 1
1 105 . 15 1 1 A 17 17 LYS H H 17 9.085 7.776 1.309 1
1 106 . 15 1 1 A 17 17 LYS CA C 17 56.964 57.754 -0.790 1
1 107 . 15 1 1 A 17 17 LYS HA H 17 4.309 4.205 0.104 1
1 108 . 15 1 1 A 17 17 LYS CB C 17 33.110 33.274 -0.164 1
1 116 . 15 1 1 A 17 17 LYS C C 17 176.454 178.178 -1.724 1
1 121 . 15 1 1 A 18 18 CYS N N 18 117.611 114.399 3.212 1
1 122 . 15 1 1 A 18 18 CYS H H 18 7.842 7.976 -0.134 1
1 123 . 15 1 1 A 18 18 CYS CA C 18 58.533 58.568 -0.035 1
1 124 . 15 1 1 A 18 18 CYS HA H 18 4.959 4.542 0.417 1
1 125 . 15 1 1 A 18 18 CYS CB C 18 31.098 28.633 2.465 1
1 127 . 15 1 1 A 18 18 CYS C C 18 174.286 174.294 -0.008 1
1 129 . 15 1 1 A 19 19 GLN N N 19 115.380 116.284 -0.904 1
1 130 . 15 1 1 A 19 19 GLN H H 19 8.099 8.233 -0.134 1
1 131 . 15 1 1 A 19 19 GLN CA C 19 58.073 57.029 1.044 1
1 132 . 15 1 1 A 19 19 GLN HA H 19 4.196 4.240 -0.044 1
1 133 . 15 1 1 A 19 19 GLN CB C 19 27.004 26.077 0.927 1
1 140 . 15 1 1 A 19 19 GLN C C 19 175.057 174.120 0.937 1
1 143 . 15 1 1 A 20 20 ALA N N 20 125.831 119.587 6.244 1
1 144 . 15 1 1 A 20 20 ALA H H 20 8.504 7.724 0.780 1
1 145 . 15 1 1 A 20 20 ALA CA C 20 53.802 50.486 3.316 1
1 146 . 15 1 1 A 20 20 ALA HA H 20 4.022 4.665 -0.643 1
1 147 . 15 1 1 A 20 20 ALA CB C 20 19.769 21.600 -1.831 1
1 151 . 15 1 1 A 20 20 ALA C C 20 176.208 175.983 0.225 1
1 152 . 15 1 1 A 21 21 THR N N 21 110.430 109.254 1.176 1
1 153 . 15 1 1 A 21 21 THR H H 21 7.487 8.402 -0.915 1
1 154 . 15 1 1 A 21 21 THR CA C 21 59.643 59.242 0.401 1
1 155 . 15 1 1 A 21 21 THR HA H 21 5.057 5.261 -0.204 1
1 156 . 15 1 1 A 21 21 THR CB C 21 71.992 71.706 0.286 1
1 162 . 15 1 1 A 21 21 THR C C 21 172.921 173.029 -0.108 1
1 163 . 15 1 1 A 22 22 PHE N N 22 117.143 118.749 -1.606 1
1 164 . 15 1 1 A 22 22 PHE H H 22 8.666 8.389 0.277 1
1 165 . 15 1 1 A 22 22 PHE CA C 22 57.117 56.482 0.635 1
1 166 . 15 1 1 A 22 22 PHE HA H 22 4.827 4.920 -0.093 1
1 167 . 15 1 1 A 22 22 PHE CB C 22 44.378 44.108 0.270 1
1 179 . 15 1 1 A 22 22 PHE C C 22 174.912 175.619 -0.707 1
1 181 . 15 1 1 A 23 23 ASN CA C 23 54.423 54.808 -0.385 1
1 182 . 15 1 1 A 23 23 ASN HA H 23 5.038 4.984 0.054 1
1 183 . 15 1 1 A 23 23 ASN CB C 23 39.624 40.521 -0.897 1
1 188 . 15 1 1 A 23 23 ASN C C 23 174.719 175.355 -0.636 1
1 190 . 15 1 1 A 24 24 LEU N N 24 116.814 119.592 -2.778 1
1 191 . 15 1 1 A 24 24 LEU H H 24 7.520 7.852 -0.332 1
1 192 . 15 1 1 A 24 24 LEU CA C 24 53.161 54.097 -0.936 1
1 193 . 15 1 1 A 24 24 LEU HA H 24 4.774 4.431 0.343 1
1 194 . 15 1 1 A 24 24 LEU CB C 24 44.687 42.016 2.671 1
1 206 . 15 1 1 A 24 24 LEU C C 24 177.051 177.065 -0.014 1
1 208 . 15 1 1 A 25 25 ARG N N 25 127.581 125.771 1.810 1
1 209 . 15 1 1 A 25 25 ARG H H 25 8.517 8.740 -0.223 1
1 210 . 15 1 1 A 25 25 ARG CA C 25 59.593 58.257 1.336 1
1 211 . 15 1 1 A 25 25 ARG HA H 25 2.822 3.140 -0.318 1
1 212 . 15 1 1 A 25 25 ARG CB C 25 29.135 29.684 -0.549 1
1 218 . 15 1 1 A 25 25 ARG C C 25 178.315 177.829 0.486 1
1 222 . 15 1 1 A 26 26 LYS N N 26 115.815 117.327 -1.512 1
1 223 . 15 1 1 A 26 26 LYS H H 26 8.495 8.007 0.488 1
1 224 . 15 1 1 A 26 26 LYS CA C 26 59.134 58.776 0.358 1
1 225 . 15 1 1 A 26 26 LYS HA H 26 3.842 4.043 -0.201 1
1 226 . 15 1 1 A 26 26 LYS CB C 26 31.632 31.988 -0.356 1
1 234 . 15 1 1 A 26 26 LYS C C 26 178.251 178.439 -0.188 1
1 239 . 15 1 1 A 27 27 HIS N N 27 117.633 118.169 -0.536 1
1 240 . 15 1 1 A 27 27 HIS H H 27 6.643 8.091 -1.448 1
1 241 . 15 1 1 A 27 27 HIS CA C 27 56.893 59.778 -2.885 1
1 242 . 15 1 1 A 27 27 HIS HA H 27 4.395 4.267 0.128 1
1 243 . 15 1 1 A 27 27 HIS CB C 27 31.346 30.071 1.275 1
1 249 . 15 1 1 A 27 27 HIS C C 27 178.052 177.833 0.219 1
1 251 . 15 1 1 A 28 28 LEU N N 28 122.685 119.530 3.155 1
1 252 . 15 1 1 A 28 28 LEU H H 28 6.932 7.729 -0.797 1
1 253 . 15 1 1 A 28 28 LEU CA C 28 57.937 57.338 0.599 1
1 254 . 15 1 1 A 28 28 LEU HA H 28 3.236 3.610 -0.374 1
1 255 . 15 1 1 A 28 28 LEU CB C 28 40.257 41.791 -1.534 1
1 267 . 15 1 1 A 28 28 LEU C C 28 177.710 178.399 -0.689 1
1 269 . 15 1 1 A 29 29 ILE N N 29 119.595 119.037 0.558 1
1 270 . 15 1 1 A 29 29 ILE H H 29 8.045 8.008 0.037 1
1 271 . 15 1 1 A 29 29 ILE CA C 29 64.337 65.849 -1.512 1
1 272 . 15 1 1 A 29 29 ILE HA H 29 3.654 3.453 0.201 1
1 273 . 15 1 1 A 29 29 ILE CB C 29 37.272 37.904 -0.632 1
1 285 . 15 1 1 A 29 29 ILE C C 29 179.315 178.169 1.146 1
1 287 . 15 1 1 A 30 30 GLN N N 30 118.156 120.245 -2.089 1
1 288 . 15 1 1 A 30 30 GLN H H 30 7.507 7.676 -0.169 1
1 289 . 15 1 1 A 30 30 GLN CA C 30 58.708 58.731 -0.023 1
1 290 . 15 1 1 A 30 30 GLN HA H 30 3.924 3.932 -0.008 1
1 291 . 15 1 1 A 30 30 GLN CB C 30 28.351 28.222 0.129 1
1 298 . 15 1 1 A 30 30 GLN C C 30 178.602 178.197 0.405 1
1 301 . 15 1 1 A 31 31 HIS N N 31 118.789 119.489 -0.700 1
1 302 . 15 1 1 A 31 31 HIS H H 31 7.691 7.871 -0.180 1
1 303 . 15 1 1 A 31 31 HIS CA C 31 59.054 59.642 -0.588 1
1 304 . 15 1 1 A 31 31 HIS HA H 31 4.208 4.221 -0.013 1
1 305 . 15 1 1 A 31 31 HIS CB C 31 28.726 29.640 -0.914 1
1 311 . 15 1 1 A 31 31 HIS C C 31 177.945 176.910 1.035 1
1 313 . 15 1 1 A 32 32 GLN N N 32 119.822 117.386 2.436 1
1 314 . 15 1 1 A 32 32 GLN H H 32 8.680 8.656 0.024 1
1 315 . 15 1 1 A 32 32 GLN CA C 32 59.589 58.890 0.699 1
1 316 . 15 1 1 A 32 32 GLN HA H 32 3.710 3.943 -0.233 1
1 317 . 15 1 1 A 32 32 GLN CB C 32 27.916 28.433 -0.517 1
1 324 . 15 1 1 A 32 32 GLN C C 32 178.170 178.778 -0.608 1
1 327 . 15 1 1 A 33 33 LYS N N 33 118.224 120.391 -2.167 1
1 328 . 15 1 1 A 33 33 LYS H H 33 7.248 7.512 -0.264 1
1 329 . 15 1 1 A 33 33 LYS CA C 33 58.912 59.498 -0.586 1
1 330 . 15 1 1 A 33 33 LYS HA H 33 4.050 4.002 0.048 1
1 331 . 15 1 1 A 33 33 LYS CB C 33 32.160 32.065 0.095 1
1 338 . 15 1 1 A 33 33 LYS C C 33 178.506 179.638 -1.132 1
1 343 . 15 1 1 A 34 34 THR N N 34 109.843 112.328 -2.485 1
1 344 . 15 1 1 A 34 34 THR H H 34 7.690 8.123 -0.433 1
1 345 . 15 1 1 A 34 34 THR CA C 34 63.891 64.342 -0.451 1
1 346 . 15 1 1 A 34 34 THR HA H 34 4.047 4.003 0.044 1
1 347 . 15 1 1 A 34 34 THR CB C 34 69.205 68.262 0.943 1
1 353 . 15 1 1 A 34 34 THR C C 34 175.352 175.401 -0.049 1
1 354 . 15 1 1 A 35 35 HIS N N 35 117.905 119.020 -1.115 1
1 355 . 15 1 1 A 35 35 HIS H H 35 6.998 7.462 -0.464 1
1 356 . 15 1 1 A 35 35 HIS CA C 35 55.067 55.346 -0.279 1
1 357 . 15 1 1 A 35 35 HIS HA H 35 4.763 4.621 0.142 1
1 358 . 15 1 1 A 35 35 HIS CB C 35 28.672 29.527 -0.855 1
1 364 . 15 1 1 A 35 35 HIS C C 35 174.592 174.425 0.167 1
1 366 . 15 1 1 A 36 36 ALA N N 36 123.690 123.686 0.004 1
1 367 . 15 1 1 A 36 36 ALA H H 36 7.542 7.559 -0.017 1
1 368 . 15 1 1 A 36 36 ALA CA C 36 52.507 50.779 1.728 1
1 369 . 15 1 1 A 36 36 ALA HA H 36 4.247 4.708 -0.461 1
1 370 . 15 1 1 A 36 36 ALA CB C 36 19.368 19.575 -0.207 1
1 374 . 15 1 1 A 36 36 ALA C C 36 177.263 176.294 0.969 1
1 375 . 15 1 1 A 37 37 ALA N N 37 123.646 125.710 -2.064 1
1 376 . 15 1 1 A 37 37 ALA H H 37 8.194 8.397 -0.203 1
1 377 . 15 1 1 A 37 37 ALA CA C 37 52.517 51.540 0.977 1
1 378 . 15 1 1 A 37 37 ALA HA H 37 4.244 4.758 -0.514 1
1 379 . 15 1 1 A 37 37 ALA CB C 37 19.181 22.612 -3.431 1
1 383 . 15 1 1 A 37 37 ALA C C 37 177.787 176.784 1.003 1
1 384 . 15 1 1 A 38 38 LYS N N 38 120.872 120.691 0.181 1
1 385 . 15 1 1 A 38 38 LYS H H 38 8.304 8.700 -0.396 1
1 386 . 15 1 1 A 38 38 LYS CA C 38 56.161 57.893 -1.732 1
1 387 . 15 1 1 A 38 38 LYS HA H 38 4.304 4.375 -0.071 1
1 388 . 15 1 1 A 38 38 LYS CB C 38 33.014 33.090 -0.076 1
1 396 . 15 1 1 A 38 38 LYS C C 38 176.530 177.208 -0.678 1
1 401 . 15 1 1 A 40 40 GLY CA C 40 44.610 45.895 -1.285 1
1 402 . 15 1 1 A 40 40 GLY HA3 H 40 4.091 4.216 -0.125 1
1 403 . 15 1 1 A 40 40 GLY HA2 H 40 4.091 4.213 -0.122 1
1 404 . 15 1 1 A 41 41 PRO CA C 41 63.260 62.553 0.707 1
1 405 . 15 1 1 A 41 41 PRO HA H 41 4.424 4.570 -0.146 1
1 406 . 15 1 1 A 41 41 PRO CB C 41 32.165 33.249 -1.084 1
1 415 . 15 1 1 A 43 43 SER CA C 43 58.325 59.186 -0.861 1
1 416 . 15 1 1 A 43 43 SER HA H 43 4.444 4.061 0.383 1
1 417 . 15 1 1 A 43 43 SER CB C 43 64.067 62.281 1.786 1
1 419 . 15 1 1 A 43 43 SER C C 43 173.889 173.272 0.617 1
1 1 . 16 1 1 A 8 8 HIS CA C 8 56.286 54.384 1.902 1
1 2 . 16 1 1 A 8 8 HIS HA H 8 4.631 5.002 -0.371 1
1 3 . 16 1 1 A 8 8 HIS CB C 8 30.954 30.613 0.341 1
1 10 . 16 1 1 A 9 9 THR CA C 9 61.910 60.448 1.462 1
1 11 . 16 1 1 A 9 9 THR HA H 9 4.231 4.649 -0.418 1
1 12 . 16 1 1 A 9 9 THR CB C 9 69.722 71.661 -1.939 1
1 18 . 16 1 1 A 9 9 THR C C 9 174.222 172.684 1.538 1
1 19 . 16 1 1 A 10 10 ARG N N 10 124.169 126.862 -2.693 1
1 20 . 16 1 1 A 10 10 ARG H H 10 8.328 8.518 -0.190 1
1 21 . 16 1 1 A 10 10 ARG CA C 10 56.013 55.616 0.397 1
1 22 . 16 1 1 A 10 10 ARG HA H 10 4.251 4.512 -0.261 1
1 23 . 16 1 1 A 10 10 ARG CB C 10 30.838 30.809 0.029 1
1 29 . 16 1 1 A 10 10 ARG C C 10 175.968 175.687 0.281 1
1 33 . 16 1 1 A 11 11 LYS N N 11 123.653 124.507 -0.854 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.339 8.393 -0.054 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 56.035 56.863 -0.828 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.174 4.159 0.015 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 32.967 32.792 0.175 1
1 44 . 16 1 1 A 11 11 LYS C C 11 175.763 176.801 -1.038 1
1 49 . 16 1 1 A 12 12 ARG N N 12 120.724 123.298 -2.574 1
1 50 . 16 1 1 A 12 12 ARG H H 12 8.016 8.691 -0.675 1
1 51 . 16 1 1 A 12 12 ARG CA C 12 56.275 53.889 2.386 1
1 52 . 16 1 1 A 12 12 ARG HA H 12 4.204 4.673 -0.469 1
1 53 . 16 1 1 A 12 12 ARG CB C 12 31.979 33.715 -1.736 1
1 59 . 16 1 1 A 12 12 ARG C C 12 175.087 174.926 0.161 1
1 63 . 16 1 1 A 13 13 TYR N N 13 119.605 119.792 -0.187 1
1 64 . 16 1 1 A 13 13 TYR H H 13 8.559 8.960 -0.401 1
1 65 . 16 1 1 A 13 13 TYR CA C 13 57.661 58.338 -0.677 1
1 66 . 16 1 1 A 13 13 TYR HA H 13 4.601 4.853 -0.252 1
1 67 . 16 1 1 A 13 13 TYR CB C 13 39.557 39.875 -0.318 1
1 77 . 16 1 1 A 13 13 TYR C C 13 174.706 176.099 -1.393 1
1 79 . 16 1 1 A 14 14 GLU N N 14 123.907 121.623 2.284 1
1 80 . 16 1 1 A 14 14 GLU H H 14 8.787 9.028 -0.241 1
1 81 . 16 1 1 A 14 14 GLU CA C 14 54.868 54.665 0.203 1
1 82 . 16 1 1 A 14 14 GLU HA H 14 4.858 5.446 -0.588 1
1 83 . 16 1 1 A 14 14 GLU CB C 14 32.614 33.069 -0.455 1
1 87 . 16 1 1 A 14 14 GLU C C 14 175.009 175.655 -0.646 1
1 90 . 16 1 1 A 15 15 CYS N N 15 126.801 122.082 4.719 1
1 91 . 16 1 1 A 15 15 CYS H H 15 8.846 8.841 0.005 1
1 92 . 16 1 1 A 15 15 CYS CA C 15 59.805 58.949 0.856 1
1 93 . 16 1 1 A 15 15 CYS HA H 15 4.477 4.892 -0.415 1
1 94 . 16 1 1 A 15 15 CYS CB C 15 29.783 29.206 0.577 1
1 96 . 16 1 1 A 15 15 CYS C C 15 176.142 174.855 1.287 1
1 98 . 16 1 1 A 16 16 SER CA C 16 60.236 59.213 1.023 1
1 99 . 16 1 1 A 16 16 SER HA H 16 4.429 4.532 -0.103 1
1 100 . 16 1 1 A 16 16 SER CB C 16 63.380 64.347 -0.967 1
1 102 . 16 1 1 A 16 16 SER C C 16 174.975 175.684 -0.709 1
1 104 . 16 1 1 A 17 17 LYS N N 17 123.704 118.605 5.099 1
1 105 . 16 1 1 A 17 17 LYS H H 17 9.085 7.607 1.478 1
1 106 . 16 1 1 A 17 17 LYS CA C 17 56.964 57.656 -0.692 1
1 107 . 16 1 1 A 17 17 LYS HA H 17 4.309 4.273 0.036 1
1 108 . 16 1 1 A 17 17 LYS CB C 17 33.110 33.297 -0.187 1
1 116 . 16 1 1 A 17 17 LYS C C 17 176.454 178.076 -1.622 1
1 121 . 16 1 1 A 18 18 CYS N N 18 117.611 114.285 3.326 1
1 122 . 16 1 1 A 18 18 CYS H H 18 7.842 7.749 0.093 1
1 123 . 16 1 1 A 18 18 CYS CA C 18 58.533 58.427 0.106 1
1 124 . 16 1 1 A 18 18 CYS HA H 18 4.959 4.374 0.585 1
1 125 . 16 1 1 A 18 18 CYS CB C 18 31.098 27.226 3.872 1
1 127 . 16 1 1 A 18 18 CYS C C 18 174.286 175.514 -1.228 1
1 129 . 16 1 1 A 19 19 GLN N N 19 115.380 119.615 -4.235 1
1 130 . 16 1 1 A 19 19 GLN H H 19 8.099 8.097 0.002 1
1 131 . 16 1 1 A 19 19 GLN CA C 19 58.073 56.696 1.377 1
1 132 . 16 1 1 A 19 19 GLN HA H 19 4.196 4.361 -0.165 1
1 133 . 16 1 1 A 19 19 GLN CB C 19 27.004 26.335 0.669 1
1 140 . 16 1 1 A 19 19 GLN C C 19 175.057 175.149 -0.092 1
1 143 . 16 1 1 A 20 20 ALA N N 20 125.831 123.115 2.716 1
1 144 . 16 1 1 A 20 20 ALA H H 20 8.504 7.801 0.703 1
1 145 . 16 1 1 A 20 20 ALA CA C 20 53.802 51.969 1.833 1
1 146 . 16 1 1 A 20 20 ALA HA H 20 4.022 4.426 -0.404 1
1 147 . 16 1 1 A 20 20 ALA CB C 20 19.769 20.407 -0.638 1
1 151 . 16 1 1 A 20 20 ALA C C 20 176.208 176.386 -0.178 1
1 152 . 16 1 1 A 21 21 THR N N 21 110.430 106.862 3.568 1
1 153 . 16 1 1 A 21 21 THR H H 21 7.487 8.384 -0.897 1
1 154 . 16 1 1 A 21 21 THR CA C 21 59.643 59.392 0.251 1
1 155 . 16 1 1 A 21 21 THR HA H 21 5.057 5.376 -0.319 1
1 156 . 16 1 1 A 21 21 THR CB C 21 71.992 71.848 0.144 1
1 162 . 16 1 1 A 21 21 THR C C 21 172.921 173.093 -0.172 1
1 163 . 16 1 1 A 22 22 PHE N N 22 117.143 118.414 -1.271 1
1 164 . 16 1 1 A 22 22 PHE H H 22 8.666 8.396 0.270 1
1 165 . 16 1 1 A 22 22 PHE CA C 22 57.117 56.722 0.395 1
1 166 . 16 1 1 A 22 22 PHE HA H 22 4.827 4.916 -0.089 1
1 167 . 16 1 1 A 22 22 PHE CB C 22 44.378 44.088 0.290 1
1 179 . 16 1 1 A 22 22 PHE C C 22 174.912 175.523 -0.611 1
1 181 . 16 1 1 A 23 23 ASN CA C 23 54.423 54.592 -0.169 1
1 182 . 16 1 1 A 23 23 ASN HA H 23 5.038 4.794 0.244 1
1 183 . 16 1 1 A 23 23 ASN CB C 23 39.624 39.514 0.110 1
1 188 . 16 1 1 A 23 23 ASN C C 23 174.719 174.824 -0.105 1
1 190 . 16 1 1 A 24 24 LEU N N 24 116.814 119.386 -2.572 1
1 191 . 16 1 1 A 24 24 LEU H H 24 7.520 8.082 -0.562 1
1 192 . 16 1 1 A 24 24 LEU CA C 24 53.161 53.108 0.053 1
1 193 . 16 1 1 A 24 24 LEU HA H 24 4.774 4.689 0.085 1
1 194 . 16 1 1 A 24 24 LEU CB C 24 44.687 43.727 0.960 1
1 206 . 16 1 1 A 24 24 LEU C C 24 177.051 176.841 0.210 1
1 208 . 16 1 1 A 25 25 ARG N N 25 127.581 122.798 4.783 1
1 209 . 16 1 1 A 25 25 ARG H H 25 8.517 8.630 -0.113 1
1 210 . 16 1 1 A 25 25 ARG CA C 25 59.593 58.308 1.285 1
1 211 . 16 1 1 A 25 25 ARG HA H 25 2.822 2.664 0.158 1
1 212 . 16 1 1 A 25 25 ARG CB C 25 29.135 29.843 -0.708 1
1 218 . 16 1 1 A 25 25 ARG C C 25 178.315 178.185 0.130 1
1 222 . 16 1 1 A 26 26 LYS N N 26 115.815 117.863 -2.048 1
1 223 . 16 1 1 A 26 26 LYS H H 26 8.495 8.032 0.463 1
1 224 . 16 1 1 A 26 26 LYS CA C 26 59.134 58.572 0.562 1
1 225 . 16 1 1 A 26 26 LYS HA H 26 3.842 4.033 -0.191 1
1 226 . 16 1 1 A 26 26 LYS CB C 26 31.632 31.481 0.151 1
1 234 . 16 1 1 A 26 26 LYS C C 26 178.251 178.201 0.050 1
1 239 . 16 1 1 A 27 27 HIS N N 27 117.633 118.087 -0.454 1
1 240 . 16 1 1 A 27 27 HIS H H 27 6.643 7.848 -1.205 1
1 241 . 16 1 1 A 27 27 HIS CA C 27 56.893 60.021 -3.128 1
1 242 . 16 1 1 A 27 27 HIS HA H 27 4.395 4.266 0.129 1
1 243 . 16 1 1 A 27 27 HIS CB C 27 31.346 31.092 0.254 1
1 249 . 16 1 1 A 27 27 HIS C C 27 178.052 177.542 0.510 1
1 251 . 16 1 1 A 28 28 LEU N N 28 122.685 119.699 2.986 1
1 252 . 16 1 1 A 28 28 LEU H H 28 6.932 8.049 -1.117 1
1 253 . 16 1 1 A 28 28 LEU CA C 28 57.937 57.448 0.489 1
1 254 . 16 1 1 A 28 28 LEU HA H 28 3.236 2.985 0.251 1
1 255 . 16 1 1 A 28 28 LEU CB C 28 40.257 41.656 -1.399 1
1 267 . 16 1 1 A 28 28 LEU C C 28 177.710 178.098 -0.388 1
1 269 . 16 1 1 A 29 29 ILE N N 29 119.595 120.180 -0.585 1
1 270 . 16 1 1 A 29 29 ILE H H 29 8.045 7.665 0.380 1
1 271 . 16 1 1 A 29 29 ILE CA C 29 64.337 65.036 -0.699 1
1 272 . 16 1 1 A 29 29 ILE HA H 29 3.654 3.623 0.031 1
1 273 . 16 1 1 A 29 29 ILE CB C 29 37.272 37.517 -0.245 1
1 285 . 16 1 1 A 29 29 ILE C C 29 179.315 177.898 1.417 1
1 287 . 16 1 1 A 30 30 GLN N N 30 118.156 119.778 -1.622 1
1 288 . 16 1 1 A 30 30 GLN H H 30 7.507 7.773 -0.266 1
1 289 . 16 1 1 A 30 30 GLN CA C 30 58.708 58.456 0.252 1
1 290 . 16 1 1 A 30 30 GLN HA H 30 3.924 3.973 -0.049 1
1 291 . 16 1 1 A 30 30 GLN CB C 30 28.351 28.410 -0.059 1
1 298 . 16 1 1 A 30 30 GLN C C 30 178.602 178.023 0.579 1
1 301 . 16 1 1 A 31 31 HIS N N 31 118.789 120.075 -1.286 1
1 302 . 16 1 1 A 31 31 HIS H H 31 7.691 7.973 -0.282 1
1 303 . 16 1 1 A 31 31 HIS CA C 31 59.054 59.107 -0.053 1
1 304 . 16 1 1 A 31 31 HIS HA H 31 4.208 4.125 0.083 1
1 305 . 16 1 1 A 31 31 HIS CB C 31 28.726 30.004 -1.278 1
1 311 . 16 1 1 A 31 31 HIS C C 31 177.945 176.889 1.056 1
1 313 . 16 1 1 A 32 32 GLN N N 32 119.822 117.624 2.198 1
1 314 . 16 1 1 A 32 32 GLN H H 32 8.680 8.608 0.072 1
1 315 . 16 1 1 A 32 32 GLN CA C 32 59.589 59.288 0.301 1
1 316 . 16 1 1 A 32 32 GLN HA H 32 3.710 3.861 -0.151 1
1 317 . 16 1 1 A 32 32 GLN CB C 32 27.916 28.345 -0.429 1
1 324 . 16 1 1 A 32 32 GLN C C 32 178.170 178.172 -0.002 1
1 327 . 16 1 1 A 33 33 LYS N N 33 118.224 118.486 -0.262 1
1 328 . 16 1 1 A 33 33 LYS H H 33 7.248 7.741 -0.493 1
1 329 . 16 1 1 A 33 33 LYS CA C 33 58.912 58.828 0.084 1
1 330 . 16 1 1 A 33 33 LYS HA H 33 4.050 4.039 0.011 1
1 331 . 16 1 1 A 33 33 LYS CB C 33 32.160 32.093 0.067 1
1 338 . 16 1 1 A 33 33 LYS C C 33 178.506 177.942 0.564 1
1 343 . 16 1 1 A 34 34 THR N N 34 109.843 111.160 -1.317 1
1 344 . 16 1 1 A 34 34 THR H H 34 7.690 8.307 -0.617 1
1 345 . 16 1 1 A 34 34 THR CA C 34 63.891 65.291 -1.400 1
1 346 . 16 1 1 A 34 34 THR HA H 34 4.047 3.899 0.148 1
1 347 . 16 1 1 A 34 34 THR CB C 34 69.205 67.736 1.469 1
1 353 . 16 1 1 A 34 34 THR C C 34 175.352 177.066 -1.714 1
1 354 . 16 1 1 A 35 35 HIS N N 35 117.905 119.485 -1.580 1
1 355 . 16 1 1 A 35 35 HIS H H 35 6.998 7.898 -0.900 1
1 356 . 16 1 1 A 35 35 HIS CA C 35 55.067 59.263 -4.196 1
1 357 . 16 1 1 A 35 35 HIS HA H 35 4.763 4.253 0.510 1
1 358 . 16 1 1 A 35 35 HIS CB C 35 28.672 30.025 -1.353 1
1 364 . 16 1 1 A 35 35 HIS C C 35 174.592 176.388 -1.796 1
1 366 . 16 1 1 A 36 36 ALA N N 36 123.690 120.437 3.253 1
1 367 . 16 1 1 A 36 36 ALA H H 36 7.542 7.349 0.193 1
1 368 . 16 1 1 A 36 36 ALA CA C 36 52.507 51.856 0.651 1
1 369 . 16 1 1 A 36 36 ALA HA H 36 4.247 4.261 -0.014 1
1 370 . 16 1 1 A 36 36 ALA CB C 36 19.368 18.565 0.803 1
1 374 . 16 1 1 A 36 36 ALA C C 36 177.263 175.963 1.300 1
1 375 . 16 1 1 A 37 37 ALA N N 37 123.646 126.728 -3.082 1
1 376 . 16 1 1 A 37 37 ALA H H 37 8.194 7.883 0.311 1
1 377 . 16 1 1 A 37 37 ALA CA C 37 52.517 50.363 2.154 1
1 378 . 16 1 1 A 37 37 ALA HA H 37 4.244 4.815 -0.571 1
1 379 . 16 1 1 A 37 37 ALA CB C 37 19.181 23.115 -3.934 1
1 383 . 16 1 1 A 37 37 ALA C C 37 177.787 177.361 0.426 1
1 384 . 16 1 1 A 38 38 LYS N N 38 120.872 120.392 0.480 1
1 385 . 16 1 1 A 38 38 LYS H H 38 8.304 8.754 -0.450 1
1 386 . 16 1 1 A 38 38 LYS CA C 38 56.161 57.523 -1.362 1
1 387 . 16 1 1 A 38 38 LYS HA H 38 4.304 4.439 -0.135 1
1 388 . 16 1 1 A 38 38 LYS CB C 38 33.014 34.446 -1.432 1
1 396 . 16 1 1 A 38 38 LYS C C 38 176.530 176.658 -0.128 1
1 401 . 16 1 1 A 40 40 GLY CA C 40 44.610 44.728 -0.118 1
1 402 . 16 1 1 A 40 40 GLY HA3 H 40 4.091 4.024 0.067 1
1 403 . 16 1 1 A 40 40 GLY HA2 H 40 4.091 4.024 0.067 1
1 404 . 16 1 1 A 41 41 PRO CA C 41 63.260 62.755 0.505 1
1 405 . 16 1 1 A 41 41 PRO HA H 41 4.424 4.550 -0.126 1
1 406 . 16 1 1 A 41 41 PRO CB C 41 32.165 31.675 0.490 1
1 415 . 16 1 1 A 43 43 SER CA C 43 58.325 57.424 0.901 1
1 416 . 16 1 1 A 43 43 SER HA H 43 4.444 4.638 -0.194 1
1 417 . 16 1 1 A 43 43 SER CB C 43 64.067 62.083 1.984 1
1 419 . 16 1 1 A 43 43 SER C C 43 173.889 174.132 -0.243 1
1 1 . 17 1 1 A 8 8 HIS CA C 8 56.286 57.330 -1.044 1
1 2 . 17 1 1 A 8 8 HIS HA H 8 4.631 4.307 0.324 1
1 3 . 17 1 1 A 8 8 HIS CB C 8 30.954 29.948 1.006 1
1 10 . 17 1 1 A 9 9 THR CA C 9 61.910 65.742 -3.832 1
1 11 . 17 1 1 A 9 9 THR HA H 9 4.231 3.951 0.280 1
1 12 . 17 1 1 A 9 9 THR CB C 9 69.722 68.444 1.278 1
1 18 . 17 1 1 A 9 9 THR C C 9 174.222 175.137 -0.915 1
1 19 . 17 1 1 A 10 10 ARG N N 10 124.169 118.831 5.338 1
1 20 . 17 1 1 A 10 10 ARG H H 10 8.328 7.916 0.412 1
1 21 . 17 1 1 A 10 10 ARG CA C 10 56.013 55.267 0.746 1
1 22 . 17 1 1 A 10 10 ARG HA H 10 4.251 4.641 -0.390 1
1 23 . 17 1 1 A 10 10 ARG CB C 10 30.838 31.582 -0.744 1
1 29 . 17 1 1 A 10 10 ARG C C 10 175.968 176.571 -0.603 1
1 33 . 17 1 1 A 11 11 LYS N N 11 123.653 122.552 1.101 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.339 8.779 -0.440 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 56.035 55.687 0.348 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.174 4.554 -0.380 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 32.967 33.146 -0.179 1
1 44 . 17 1 1 A 11 11 LYS C C 11 175.763 175.648 0.115 1
1 49 . 17 1 1 A 12 12 ARG N N 12 120.724 119.010 1.714 1
1 50 . 17 1 1 A 12 12 ARG H H 12 8.016 7.725 0.291 1
1 51 . 17 1 1 A 12 12 ARG CA C 12 56.275 53.997 2.278 1
1 52 . 17 1 1 A 12 12 ARG HA H 12 4.204 4.622 -0.418 1
1 53 . 17 1 1 A 12 12 ARG CB C 12 31.979 34.027 -2.048 1
1 59 . 17 1 1 A 12 12 ARG C C 12 175.087 175.685 -0.598 1
1 63 . 17 1 1 A 13 13 TYR N N 13 119.605 119.978 -0.373 1
1 64 . 17 1 1 A 13 13 TYR H H 13 8.559 8.438 0.121 1
1 65 . 17 1 1 A 13 13 TYR CA C 13 57.661 60.014 -2.353 1
1 66 . 17 1 1 A 13 13 TYR HA H 13 4.601 4.493 0.108 1
1 67 . 17 1 1 A 13 13 TYR CB C 13 39.557 39.160 0.397 1
1 77 . 17 1 1 A 13 13 TYR C C 13 174.706 175.766 -1.060 1
1 79 . 17 1 1 A 14 14 GLU N N 14 123.907 123.501 0.406 1
1 80 . 17 1 1 A 14 14 GLU H H 14 8.787 9.027 -0.240 1
1 81 . 17 1 1 A 14 14 GLU CA C 14 54.868 54.729 0.139 1
1 82 . 17 1 1 A 14 14 GLU HA H 14 4.858 5.660 -0.802 1
1 83 . 17 1 1 A 14 14 GLU CB C 14 32.614 33.463 -0.849 1
1 87 . 17 1 1 A 14 14 GLU C C 14 175.009 174.664 0.345 1
1 90 . 17 1 1 A 15 15 CYS N N 15 126.801 125.189 1.612 1
1 91 . 17 1 1 A 15 15 CYS H H 15 8.846 9.127 -0.281 1
1 92 . 17 1 1 A 15 15 CYS CA C 15 59.805 58.090 1.715 1
1 93 . 17 1 1 A 15 15 CYS HA H 15 4.477 4.896 -0.419 1
1 94 . 17 1 1 A 15 15 CYS CB C 15 29.783 30.323 -0.540 1
1 96 . 17 1 1 A 15 15 CYS C C 15 176.142 176.038 0.104 1
1 98 . 17 1 1 A 16 16 SER CA C 16 60.236 58.758 1.478 1
1 99 . 17 1 1 A 16 16 SER HA H 16 4.429 4.640 -0.211 1
1 100 . 17 1 1 A 16 16 SER CB C 16 63.380 63.028 0.352 1
1 102 . 17 1 1 A 16 16 SER C C 16 174.975 175.326 -0.351 1
1 104 . 17 1 1 A 17 17 LYS N N 17 123.704 120.104 3.600 1
1 105 . 17 1 1 A 17 17 LYS H H 17 9.085 7.723 1.362 1
1 106 . 17 1 1 A 17 17 LYS CA C 17 56.964 57.394 -0.430 1
1 107 . 17 1 1 A 17 17 LYS HA H 17 4.309 4.273 0.036 1
1 108 . 17 1 1 A 17 17 LYS CB C 17 33.110 33.561 -0.451 1
1 116 . 17 1 1 A 17 17 LYS C C 17 176.454 178.021 -1.567 1
1 121 . 17 1 1 A 18 18 CYS N N 18 117.611 114.356 3.255 1
1 122 . 17 1 1 A 18 18 CYS H H 18 7.842 7.969 -0.127 1
1 123 . 17 1 1 A 18 18 CYS CA C 18 58.533 58.662 -0.129 1
1 124 . 17 1 1 A 18 18 CYS HA H 18 4.959 4.492 0.467 1
1 125 . 17 1 1 A 18 18 CYS CB C 18 31.098 28.139 2.959 1
1 127 . 17 1 1 A 18 18 CYS C C 18 174.286 174.291 -0.005 1
1 129 . 17 1 1 A 19 19 GLN N N 19 115.380 116.117 -0.737 1
1 130 . 17 1 1 A 19 19 GLN H H 19 8.099 7.784 0.315 1
1 131 . 17 1 1 A 19 19 GLN CA C 19 58.073 57.092 0.981 1
1 132 . 17 1 1 A 19 19 GLN HA H 19 4.196 4.260 -0.064 1
1 133 . 17 1 1 A 19 19 GLN CB C 19 27.004 26.119 0.885 1
1 140 . 17 1 1 A 19 19 GLN C C 19 175.057 174.040 1.017 1
1 143 . 17 1 1 A 20 20 ALA N N 20 125.831 120.840 4.991 1
1 144 . 17 1 1 A 20 20 ALA H H 20 8.504 7.883 0.621 1
1 145 . 17 1 1 A 20 20 ALA CA C 20 53.802 50.499 3.303 1
1 146 . 17 1 1 A 20 20 ALA HA H 20 4.022 4.758 -0.736 1
1 147 . 17 1 1 A 20 20 ALA CB C 20 19.769 22.253 -2.484 1
1 151 . 17 1 1 A 20 20 ALA C C 20 176.208 177.065 -0.857 1
1 152 . 17 1 1 A 21 21 THR N N 21 110.430 109.816 0.614 1
1 153 . 17 1 1 A 21 21 THR H H 21 7.487 8.545 -1.058 1
1 154 . 17 1 1 A 21 21 THR CA C 21 59.643 59.212 0.431 1
1 155 . 17 1 1 A 21 21 THR HA H 21 5.057 5.590 -0.533 1
1 156 . 17 1 1 A 21 21 THR CB C 21 71.992 71.428 0.564 1
1 162 . 17 1 1 A 21 21 THR C C 21 172.921 173.347 -0.426 1
1 163 . 17 1 1 A 22 22 PHE N N 22 117.143 118.466 -1.323 1
1 164 . 17 1 1 A 22 22 PHE H H 22 8.666 8.729 -0.063 1
1 165 . 17 1 1 A 22 22 PHE CA C 22 57.117 56.413 0.704 1
1 166 . 17 1 1 A 22 22 PHE HA H 22 4.827 4.979 -0.152 1
1 167 . 17 1 1 A 22 22 PHE CB C 22 44.378 43.771 0.607 1
1 179 . 17 1 1 A 22 22 PHE C C 22 174.912 175.379 -0.467 1
1 181 . 17 1 1 A 23 23 ASN CA C 23 54.423 53.517 0.906 1
1 182 . 17 1 1 A 23 23 ASN HA H 23 5.038 5.020 0.018 1
1 183 . 17 1 1 A 23 23 ASN CB C 23 39.624 40.317 -0.693 1
1 188 . 17 1 1 A 23 23 ASN C C 23 174.719 174.846 -0.127 1
1 190 . 17 1 1 A 24 24 LEU N N 24 116.814 119.072 -2.258 1
1 191 . 17 1 1 A 24 24 LEU H H 24 7.520 7.972 -0.452 1
1 192 . 17 1 1 A 24 24 LEU CA C 24 53.161 53.028 0.133 1
1 193 . 17 1 1 A 24 24 LEU HA H 24 4.774 4.516 0.258 1
1 194 . 17 1 1 A 24 24 LEU CB C 24 44.687 43.654 1.033 1
1 206 . 17 1 1 A 24 24 LEU C C 24 177.051 176.880 0.171 1
1 208 . 17 1 1 A 25 25 ARG N N 25 127.581 122.425 5.156 1
1 209 . 17 1 1 A 25 25 ARG H H 25 8.517 8.582 -0.065 1
1 210 . 17 1 1 A 25 25 ARG CA C 25 59.593 59.826 -0.233 1
1 211 . 17 1 1 A 25 25 ARG HA H 25 2.822 3.361 -0.539 1
1 212 . 17 1 1 A 25 25 ARG CB C 25 29.135 30.042 -0.907 1
1 218 . 17 1 1 A 25 25 ARG C C 25 178.315 178.052 0.263 1
1 222 . 17 1 1 A 26 26 LYS N N 26 115.815 118.343 -2.528 1
1 223 . 17 1 1 A 26 26 LYS H H 26 8.495 8.075 0.420 1
1 224 . 17 1 1 A 26 26 LYS CA C 26 59.134 59.036 0.098 1
1 225 . 17 1 1 A 26 26 LYS HA H 26 3.842 4.067 -0.225 1
1 226 . 17 1 1 A 26 26 LYS CB C 26 31.632 31.886 -0.254 1
1 234 . 17 1 1 A 26 26 LYS C C 26 178.251 178.648 -0.397 1
1 239 . 17 1 1 A 27 27 HIS N N 27 117.633 119.129 -1.496 1
1 240 . 17 1 1 A 27 27 HIS H H 27 6.643 7.953 -1.310 1
1 241 . 17 1 1 A 27 27 HIS CA C 27 56.893 59.451 -2.558 1
1 242 . 17 1 1 A 27 27 HIS HA H 27 4.395 4.336 0.059 1
1 243 . 17 1 1 A 27 27 HIS CB C 27 31.346 29.938 1.408 1
1 249 . 17 1 1 A 27 27 HIS C C 27 178.052 177.493 0.559 1
1 251 . 17 1 1 A 28 28 LEU N N 28 122.685 119.699 2.986 1
1 252 . 17 1 1 A 28 28 LEU H H 28 6.932 7.855 -0.923 1
1 253 . 17 1 1 A 28 28 LEU CA C 28 57.937 57.495 0.442 1
1 254 . 17 1 1 A 28 28 LEU HA H 28 3.236 2.875 0.361 1
1 255 . 17 1 1 A 28 28 LEU CB C 28 40.257 41.422 -1.165 1
1 267 . 17 1 1 A 28 28 LEU C C 28 177.710 178.258 -0.548 1
1 269 . 17 1 1 A 29 29 ILE N N 29 119.595 120.243 -0.648 1
1 270 . 17 1 1 A 29 29 ILE H H 29 8.045 7.926 0.119 1
1 271 . 17 1 1 A 29 29 ILE CA C 29 64.337 64.922 -0.585 1
1 272 . 17 1 1 A 29 29 ILE HA H 29 3.654 3.504 0.150 1
1 273 . 17 1 1 A 29 29 ILE CB C 29 37.272 37.508 -0.236 1
1 285 . 17 1 1 A 29 29 ILE C C 29 179.315 177.778 1.537 1
1 287 . 17 1 1 A 30 30 GLN N N 30 118.156 119.894 -1.738 1
1 288 . 17 1 1 A 30 30 GLN H H 30 7.507 8.289 -0.782 1
1 289 . 17 1 1 A 30 30 GLN CA C 30 58.708 58.290 0.418 1
1 290 . 17 1 1 A 30 30 GLN HA H 30 3.924 4.068 -0.144 1
1 291 . 17 1 1 A 30 30 GLN CB C 30 28.351 28.667 -0.316 1
1 298 . 17 1 1 A 30 30 GLN C C 30 178.602 178.201 0.401 1
1 301 . 17 1 1 A 31 31 HIS N N 31 118.789 119.671 -0.882 1
1 302 . 17 1 1 A 31 31 HIS H H 31 7.691 8.063 -0.372 1
1 303 . 17 1 1 A 31 31 HIS CA C 31 59.054 59.181 -0.127 1
1 304 . 17 1 1 A 31 31 HIS HA H 31 4.208 4.174 0.034 1
1 305 . 17 1 1 A 31 31 HIS CB C 31 28.726 30.122 -1.396 1
1 311 . 17 1 1 A 31 31 HIS C C 31 177.945 177.100 0.845 1
1 313 . 17 1 1 A 32 32 GLN N N 32 119.822 117.556 2.266 1
1 314 . 17 1 1 A 32 32 GLN H H 32 8.680 8.585 0.095 1
1 315 . 17 1 1 A 32 32 GLN CA C 32 59.589 59.329 0.260 1
1 316 . 17 1 1 A 32 32 GLN HA H 32 3.710 3.938 -0.228 1
1 317 . 17 1 1 A 32 32 GLN CB C 32 27.916 28.251 -0.335 1
1 324 . 17 1 1 A 32 32 GLN C C 32 178.170 178.234 -0.064 1
1 327 . 17 1 1 A 33 33 LYS N N 33 118.224 117.931 0.293 1
1 328 . 17 1 1 A 33 33 LYS H H 33 7.248 7.612 -0.364 1
1 329 . 17 1 1 A 33 33 LYS CA C 33 58.912 58.963 -0.051 1
1 330 . 17 1 1 A 33 33 LYS HA H 33 4.050 4.054 -0.004 1
1 331 . 17 1 1 A 33 33 LYS CB C 33 32.160 32.300 -0.140 1
1 338 . 17 1 1 A 33 33 LYS C C 33 178.506 178.020 0.486 1
1 343 . 17 1 1 A 34 34 THR N N 34 109.843 111.101 -1.258 1
1 344 . 17 1 1 A 34 34 THR H H 34 7.690 8.383 -0.693 1
1 345 . 17 1 1 A 34 34 THR CA C 34 63.891 65.417 -1.526 1
1 346 . 17 1 1 A 34 34 THR HA H 34 4.047 4.020 0.027 1
1 347 . 17 1 1 A 34 34 THR CB C 34 69.205 68.203 1.002 1
1 353 . 17 1 1 A 34 34 THR C C 34 175.352 175.736 -0.384 1
1 354 . 17 1 1 A 35 35 HIS N N 35 117.905 118.914 -1.009 1
1 355 . 17 1 1 A 35 35 HIS H H 35 6.998 8.207 -1.209 1
1 356 . 17 1 1 A 35 35 HIS CA C 35 55.067 56.096 -1.029 1
1 357 . 17 1 1 A 35 35 HIS HA H 35 4.763 4.633 0.130 1
1 358 . 17 1 1 A 35 35 HIS CB C 35 28.672 29.142 -0.470 1
1 364 . 17 1 1 A 35 35 HIS C C 35 174.592 175.796 -1.204 1
1 366 . 17 1 1 A 36 36 ALA N N 36 123.690 122.252 1.438 1
1 367 . 17 1 1 A 36 36 ALA H H 36 7.542 8.096 -0.554 1
1 368 . 17 1 1 A 36 36 ALA CA C 36 52.507 54.923 -2.416 1
1 369 . 17 1 1 A 36 36 ALA HA H 36 4.247 4.093 0.154 1
1 370 . 17 1 1 A 36 36 ALA CB C 36 19.368 19.022 0.346 1
1 374 . 17 1 1 A 36 36 ALA C C 36 177.263 177.729 -0.466 1
1 375 . 17 1 1 A 37 37 ALA N N 37 123.646 119.283 4.363 1
1 376 . 17 1 1 A 37 37 ALA H H 37 8.194 7.636 0.558 1
1 377 . 17 1 1 A 37 37 ALA CA C 37 52.517 50.623 1.894 1
1 378 . 17 1 1 A 37 37 ALA HA H 37 4.244 4.500 -0.256 1
1 379 . 17 1 1 A 37 37 ALA CB C 37 19.181 20.500 -1.319 1
1 383 . 17 1 1 A 37 37 ALA C C 37 177.787 176.782 1.005 1
1 384 . 17 1 1 A 38 38 LYS N N 38 120.872 122.516 -1.644 1
1 385 . 17 1 1 A 38 38 LYS H H 38 8.304 8.609 -0.305 1
1 386 . 17 1 1 A 38 38 LYS CA C 38 56.161 55.801 0.360 1
1 387 . 17 1 1 A 38 38 LYS HA H 38 4.304 4.772 -0.468 1
1 388 . 17 1 1 A 38 38 LYS CB C 38 33.014 33.836 -0.822 1
1 396 . 17 1 1 A 38 38 LYS C C 38 176.530 176.303 0.227 1
1 401 . 17 1 1 A 40 40 GLY CA C 40 44.610 45.490 -0.880 1
1 402 . 17 1 1 A 40 40 GLY HA3 H 40 4.091 4.075 0.016 1
1 403 . 17 1 1 A 40 40 GLY HA2 H 40 4.091 4.073 0.018 1
1 404 . 17 1 1 A 41 41 PRO CA C 41 63.260 62.837 0.423 1
1 405 . 17 1 1 A 41 41 PRO HA H 41 4.424 4.580 -0.156 1
1 406 . 17 1 1 A 41 41 PRO CB C 41 32.165 32.006 0.159 1
1 415 . 17 1 1 A 43 43 SER CA C 43 58.325 58.937 -0.612 1
1 416 . 17 1 1 A 43 43 SER HA H 43 4.444 4.728 -0.284 1
1 417 . 17 1 1 A 43 43 SER CB C 43 64.067 65.673 -1.606 1
1 419 . 17 1 1 A 43 43 SER C C 43 173.889 175.643 -1.754 1
1 1 . 18 1 1 A 8 8 HIS CA C 8 56.286 56.987 -0.701 1
1 2 . 18 1 1 A 8 8 HIS HA H 8 4.631 4.453 0.178 1
1 3 . 18 1 1 A 8 8 HIS CB C 8 30.954 30.435 0.519 1
1 10 . 18 1 1 A 9 9 THR CA C 9 61.910 62.258 -0.348 1
1 11 . 18 1 1 A 9 9 THR HA H 9 4.231 4.296 -0.065 1
1 12 . 18 1 1 A 9 9 THR CB C 9 69.722 69.443 0.279 1
1 18 . 18 1 1 A 9 9 THR C C 9 174.222 174.290 -0.068 1
1 19 . 18 1 1 A 10 10 ARG N N 10 124.169 119.905 4.264 1
1 20 . 18 1 1 A 10 10 ARG H H 10 8.328 7.459 0.869 1
1 21 . 18 1 1 A 10 10 ARG CA C 10 56.013 54.372 1.641 1
1 22 . 18 1 1 A 10 10 ARG HA H 10 4.251 4.776 -0.525 1
1 23 . 18 1 1 A 10 10 ARG CB C 10 30.838 35.525 -4.687 1
1 29 . 18 1 1 A 10 10 ARG C C 10 175.968 174.512 1.456 1
1 33 . 18 1 1 A 11 11 LYS N N 11 123.653 121.799 1.854 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.339 8.493 -0.154 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 56.035 55.049 0.986 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.174 5.004 -0.830 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 32.967 34.850 -1.883 1
1 44 . 18 1 1 A 11 11 LYS C C 11 175.763 175.523 0.240 1
1 49 . 18 1 1 A 12 12 ARG N N 12 120.724 120.212 0.512 1
1 50 . 18 1 1 A 12 12 ARG H H 12 8.016 8.620 -0.604 1
1 51 . 18 1 1 A 12 12 ARG CA C 12 56.275 55.002 1.273 1
1 52 . 18 1 1 A 12 12 ARG HA H 12 4.204 5.063 -0.859 1
1 53 . 18 1 1 A 12 12 ARG CB C 12 31.979 33.760 -1.781 1
1 59 . 18 1 1 A 12 12 ARG C C 12 175.087 173.795 1.292 1
1 63 . 18 1 1 A 13 13 TYR N N 13 119.605 120.416 -0.811 1
1 64 . 18 1 1 A 13 13 TYR H H 13 8.559 9.131 -0.572 1
1 65 . 18 1 1 A 13 13 TYR CA C 13 57.661 56.874 0.787 1
1 66 . 18 1 1 A 13 13 TYR HA H 13 4.601 5.209 -0.608 1
1 67 . 18 1 1 A 13 13 TYR CB C 13 39.557 40.775 -1.218 1
1 77 . 18 1 1 A 13 13 TYR C C 13 174.706 175.563 -0.857 1
1 79 . 18 1 1 A 14 14 GLU N N 14 123.907 121.524 2.383 1
1 80 . 18 1 1 A 14 14 GLU H H 14 8.787 8.955 -0.168 1
1 81 . 18 1 1 A 14 14 GLU CA C 14 54.868 54.526 0.342 1
1 82 . 18 1 1 A 14 14 GLU HA H 14 4.858 5.337 -0.479 1
1 83 . 18 1 1 A 14 14 GLU CB C 14 32.614 33.194 -0.580 1
1 87 . 18 1 1 A 14 14 GLU C C 14 175.009 175.771 -0.762 1
1 90 . 18 1 1 A 15 15 CYS N N 15 126.801 124.561 2.240 1
1 91 . 18 1 1 A 15 15 CYS H H 15 8.846 9.177 -0.331 1
1 92 . 18 1 1 A 15 15 CYS CA C 15 59.805 59.359 0.446 1
1 93 . 18 1 1 A 15 15 CYS HA H 15 4.477 4.732 -0.255 1
1 94 . 18 1 1 A 15 15 CYS CB C 15 29.783 29.003 0.780 1
1 96 . 18 1 1 A 15 15 CYS C C 15 176.142 175.082 1.060 1
1 98 . 18 1 1 A 16 16 SER CA C 16 60.236 59.318 0.918 1
1 99 . 18 1 1 A 16 16 SER HA H 16 4.429 4.566 -0.137 1
1 100 . 18 1 1 A 16 16 SER CB C 16 63.380 63.966 -0.586 1
1 102 . 18 1 1 A 16 16 SER C C 16 174.975 175.497 -0.522 1
1 104 . 18 1 1 A 17 17 LYS N N 17 123.704 118.021 5.683 1
1 105 . 18 1 1 A 17 17 LYS H H 17 9.085 7.642 1.443 1
1 106 . 18 1 1 A 17 17 LYS CA C 17 56.964 57.697 -0.733 1
1 107 . 18 1 1 A 17 17 LYS HA H 17 4.309 4.363 -0.054 1
1 108 . 18 1 1 A 17 17 LYS CB C 17 33.110 33.439 -0.329 1
1 116 . 18 1 1 A 17 17 LYS C C 17 176.454 178.072 -1.618 1
1 121 . 18 1 1 A 18 18 CYS N N 18 117.611 115.440 2.171 1
1 122 . 18 1 1 A 18 18 CYS H H 18 7.842 7.981 -0.139 1
1 123 . 18 1 1 A 18 18 CYS CA C 18 58.533 58.587 -0.054 1
1 124 . 18 1 1 A 18 18 CYS HA H 18 4.959 4.495 0.464 1
1 125 . 18 1 1 A 18 18 CYS CB C 18 31.098 27.296 3.802 1
1 127 . 18 1 1 A 18 18 CYS C C 18 174.286 175.524 -1.238 1
1 129 . 18 1 1 A 19 19 GLN N N 19 115.380 118.766 -3.386 1
1 130 . 18 1 1 A 19 19 GLN H H 19 8.099 8.088 0.011 1
1 131 . 18 1 1 A 19 19 GLN CA C 19 58.073 56.697 1.376 1
1 132 . 18 1 1 A 19 19 GLN HA H 19 4.196 4.278 -0.082 1
1 133 . 18 1 1 A 19 19 GLN CB C 19 27.004 26.509 0.495 1
1 140 . 18 1 1 A 19 19 GLN C C 19 175.057 175.003 0.054 1
1 143 . 18 1 1 A 20 20 ALA N N 20 125.831 122.742 3.089 1
1 144 . 18 1 1 A 20 20 ALA H H 20 8.504 7.863 0.641 1
1 145 . 18 1 1 A 20 20 ALA CA C 20 53.802 52.050 1.752 1
1 146 . 18 1 1 A 20 20 ALA HA H 20 4.022 4.422 -0.400 1
1 147 . 18 1 1 A 20 20 ALA CB C 20 19.769 20.179 -0.410 1
1 151 . 18 1 1 A 20 20 ALA C C 20 176.208 177.754 -1.546 1
1 152 . 18 1 1 A 21 21 THR N N 21 110.430 110.947 -0.517 1
1 153 . 18 1 1 A 21 21 THR H H 21 7.487 8.342 -0.855 1
1 154 . 18 1 1 A 21 21 THR CA C 21 59.643 59.446 0.197 1
1 155 . 18 1 1 A 21 21 THR HA H 21 5.057 5.408 -0.351 1
1 156 . 18 1 1 A 21 21 THR CB C 21 71.992 71.082 0.910 1
1 162 . 18 1 1 A 21 21 THR C C 21 172.921 173.431 -0.510 1
1 163 . 18 1 1 A 22 22 PHE N N 22 117.143 118.926 -1.783 1
1 164 . 18 1 1 A 22 22 PHE H H 22 8.666 8.350 0.316 1
1 165 . 18 1 1 A 22 22 PHE CA C 22 57.117 56.462 0.655 1
1 166 . 18 1 1 A 22 22 PHE HA H 22 4.827 4.924 -0.097 1
1 167 . 18 1 1 A 22 22 PHE CB C 22 44.378 43.915 0.463 1
1 179 . 18 1 1 A 22 22 PHE C C 22 174.912 175.723 -0.811 1
1 181 . 18 1 1 A 23 23 ASN CA C 23 54.423 55.485 -1.062 1
1 182 . 18 1 1 A 23 23 ASN HA H 23 5.038 4.876 0.162 1
1 183 . 18 1 1 A 23 23 ASN CB C 23 39.624 40.251 -0.627 1
1 188 . 18 1 1 A 23 23 ASN C C 23 174.719 175.472 -0.753 1
1 190 . 18 1 1 A 24 24 LEU N N 24 116.814 119.330 -2.516 1
1 191 . 18 1 1 A 24 24 LEU H H 24 7.520 7.902 -0.382 1
1 192 . 18 1 1 A 24 24 LEU CA C 24 53.161 53.617 -0.456 1
1 193 . 18 1 1 A 24 24 LEU HA H 24 4.774 4.518 0.256 1
1 194 . 18 1 1 A 24 24 LEU CB C 24 44.687 42.788 1.899 1
1 206 . 18 1 1 A 24 24 LEU C C 24 177.051 176.945 0.106 1
1 208 . 18 1 1 A 25 25 ARG N N 25 127.581 126.245 1.336 1
1 209 . 18 1 1 A 25 25 ARG H H 25 8.517 8.765 -0.248 1
1 210 . 18 1 1 A 25 25 ARG CA C 25 59.593 59.256 0.337 1
1 211 . 18 1 1 A 25 25 ARG HA H 25 2.822 3.037 -0.215 1
1 212 . 18 1 1 A 25 25 ARG CB C 25 29.135 29.566 -0.431 1
1 218 . 18 1 1 A 25 25 ARG C C 25 178.315 177.604 0.711 1
1 222 . 18 1 1 A 26 26 LYS N N 26 115.815 119.099 -3.284 1
1 223 . 18 1 1 A 26 26 LYS H H 26 8.495 7.655 0.840 1
1 224 . 18 1 1 A 26 26 LYS CA C 26 59.134 59.000 0.134 1
1 225 . 18 1 1 A 26 26 LYS HA H 26 3.842 3.908 -0.066 1
1 226 . 18 1 1 A 26 26 LYS CB C 26 31.632 32.091 -0.459 1
1 234 . 18 1 1 A 26 26 LYS C C 26 178.251 179.092 -0.841 1
1 239 . 18 1 1 A 27 27 HIS N N 27 117.633 118.193 -0.560 1
1 240 . 18 1 1 A 27 27 HIS H H 27 6.643 8.339 -1.696 1
1 241 . 18 1 1 A 27 27 HIS CA C 27 56.893 59.233 -2.340 1
1 242 . 18 1 1 A 27 27 HIS HA H 27 4.395 4.210 0.185 1
1 243 . 18 1 1 A 27 27 HIS CB C 27 31.346 29.618 1.728 1
1 249 . 18 1 1 A 27 27 HIS C C 27 178.052 177.195 0.857 1
1 251 . 18 1 1 A 28 28 LEU N N 28 122.685 120.219 2.466 1
1 252 . 18 1 1 A 28 28 LEU H H 28 6.932 7.864 -0.932 1
1 253 . 18 1 1 A 28 28 LEU CA C 28 57.937 57.697 0.240 1
1 254 . 18 1 1 A 28 28 LEU HA H 28 3.236 3.448 -0.212 1
1 255 . 18 1 1 A 28 28 LEU CB C 28 40.257 41.787 -1.530 1
1 267 . 18 1 1 A 28 28 LEU C C 28 177.710 178.368 -0.658 1
1 269 . 18 1 1 A 29 29 ILE N N 29 119.595 119.914 -0.319 1
1 270 . 18 1 1 A 29 29 ILE H H 29 8.045 7.649 0.396 1
1 271 . 18 1 1 A 29 29 ILE CA C 29 64.337 65.633 -1.296 1
1 272 . 18 1 1 A 29 29 ILE HA H 29 3.654 3.472 0.182 1
1 273 . 18 1 1 A 29 29 ILE CB C 29 37.272 37.740 -0.468 1
1 285 . 18 1 1 A 29 29 ILE C C 29 179.315 178.249 1.066 1
1 287 . 18 1 1 A 30 30 GLN N N 30 118.156 120.161 -2.005 1
1 288 . 18 1 1 A 30 30 GLN H H 30 7.507 8.104 -0.597 1
1 289 . 18 1 1 A 30 30 GLN CA C 30 58.708 58.570 0.138 1
1 290 . 18 1 1 A 30 30 GLN HA H 30 3.924 3.921 0.003 1
1 291 . 18 1 1 A 30 30 GLN CB C 30 28.351 28.438 -0.087 1
1 298 . 18 1 1 A 30 30 GLN C C 30 178.602 178.278 0.324 1
1 301 . 18 1 1 A 31 31 HIS N N 31 118.789 119.490 -0.701 1
1 302 . 18 1 1 A 31 31 HIS H H 31 7.691 7.870 -0.179 1
1 303 . 18 1 1 A 31 31 HIS CA C 31 59.054 59.829 -0.775 1
1 304 . 18 1 1 A 31 31 HIS HA H 31 4.208 4.144 0.064 1
1 305 . 18 1 1 A 31 31 HIS CB C 31 28.726 29.554 -0.828 1
1 311 . 18 1 1 A 31 31 HIS C C 31 177.945 177.062 0.883 1
1 313 . 18 1 1 A 32 32 GLN N N 32 119.822 117.231 2.591 1
1 314 . 18 1 1 A 32 32 GLN H H 32 8.680 8.347 0.333 1
1 315 . 18 1 1 A 32 32 GLN CA C 32 59.589 59.176 0.413 1
1 316 . 18 1 1 A 32 32 GLN HA H 32 3.710 3.717 -0.007 1
1 317 . 18 1 1 A 32 32 GLN CB C 32 27.916 28.321 -0.405 1
1 324 . 18 1 1 A 32 32 GLN C C 32 178.170 178.448 -0.278 1
1 327 . 18 1 1 A 33 33 LYS N N 33 118.224 120.364 -2.140 1
1 328 . 18 1 1 A 33 33 LYS H H 33 7.248 7.639 -0.391 1
1 329 . 18 1 1 A 33 33 LYS CA C 33 58.912 59.199 -0.287 1
1 330 . 18 1 1 A 33 33 LYS HA H 33 4.050 3.951 0.099 1
1 331 . 18 1 1 A 33 33 LYS CB C 33 32.160 32.180 -0.020 1
1 338 . 18 1 1 A 33 33 LYS C C 33 178.506 178.762 -0.256 1
1 343 . 18 1 1 A 34 34 THR N N 34 109.843 114.136 -4.293 1
1 344 . 18 1 1 A 34 34 THR H H 34 7.690 8.000 -0.310 1
1 345 . 18 1 1 A 34 34 THR CA C 34 63.891 65.249 -1.358 1
1 346 . 18 1 1 A 34 34 THR HA H 34 4.047 3.910 0.137 1
1 347 . 18 1 1 A 34 34 THR CB C 34 69.205 68.854 0.351 1
1 353 . 18 1 1 A 34 34 THR C C 34 175.352 176.424 -1.072 1
1 354 . 18 1 1 A 35 35 HIS N N 35 117.905 117.084 0.821 1
1 355 . 18 1 1 A 35 35 HIS H H 35 6.998 7.245 -0.247 1
1 356 . 18 1 1 A 35 35 HIS CA C 35 55.067 59.418 -4.351 1
1 357 . 18 1 1 A 35 35 HIS HA H 35 4.763 4.277 0.486 1
1 358 . 18 1 1 A 35 35 HIS CB C 35 28.672 30.174 -1.502 1
1 364 . 18 1 1 A 35 35 HIS C C 35 174.592 176.506 -1.914 1
1 366 . 18 1 1 A 36 36 ALA N N 36 123.690 119.867 3.823 1
1 367 . 18 1 1 A 36 36 ALA H H 36 7.542 7.431 0.111 1
1 368 . 18 1 1 A 36 36 ALA CA C 36 52.507 51.713 0.794 1
1 369 . 18 1 1 A 36 36 ALA HA H 36 4.247 4.243 0.004 1
1 370 . 18 1 1 A 36 36 ALA CB C 36 19.368 17.796 1.572 1
1 374 . 18 1 1 A 36 36 ALA C C 36 177.263 175.714 1.549 1
1 375 . 18 1 1 A 37 37 ALA N N 37 123.646 125.184 -1.538 1
1 376 . 18 1 1 A 37 37 ALA H H 37 8.194 8.380 -0.186 1
1 377 . 18 1 1 A 37 37 ALA CA C 37 52.517 50.279 2.238 1
1 378 . 18 1 1 A 37 37 ALA HA H 37 4.244 5.130 -0.886 1
1 379 . 18 1 1 A 37 37 ALA CB C 37 19.181 22.163 -2.982 1
1 383 . 18 1 1 A 37 37 ALA C C 37 177.787 175.910 1.877 1
1 384 . 18 1 1 A 38 38 LYS N N 38 120.872 123.178 -2.306 1
1 385 . 18 1 1 A 38 38 LYS H H 38 8.304 8.693 -0.389 1
1 386 . 18 1 1 A 38 38 LYS CA C 38 56.161 56.110 0.051 1
1 387 . 18 1 1 A 38 38 LYS HA H 38 4.304 4.509 -0.205 1
1 388 . 18 1 1 A 38 38 LYS CB C 38 33.014 31.579 1.435 1
1 396 . 18 1 1 A 38 38 LYS C C 38 176.530 175.711 0.819 1
1 401 . 18 1 1 A 40 40 GLY CA C 40 44.610 46.424 -1.814 1
1 402 . 18 1 1 A 40 40 GLY HA3 H 40 4.091 4.047 0.044 1
1 403 . 18 1 1 A 40 40 GLY HA2 H 40 4.091 4.047 0.044 1
1 404 . 18 1 1 A 41 41 PRO CA C 41 63.260 62.566 0.694 1
1 405 . 18 1 1 A 41 41 PRO HA H 41 4.424 4.334 0.090 1
1 406 . 18 1 1 A 41 41 PRO CB C 41 32.165 32.803 -0.638 1
1 415 . 18 1 1 A 43 43 SER CA C 43 58.325 57.816 0.509 1
1 416 . 18 1 1 A 43 43 SER HA H 43 4.444 5.153 -0.709 1
1 417 . 18 1 1 A 43 43 SER CB C 43 64.067 66.265 -2.198 1
1 419 . 18 1 1 A 43 43 SER C C 43 173.889 172.983 0.906 1
1 1 . 19 1 1 A 8 8 HIS CA C 8 56.286 56.855 -0.569 1
1 2 . 19 1 1 A 8 8 HIS HA H 8 4.631 4.398 0.233 1
1 3 . 19 1 1 A 8 8 HIS CB C 8 30.954 30.230 0.724 1
1 10 . 19 1 1 A 9 9 THR CA C 9 61.910 60.611 1.299 1
1 11 . 19 1 1 A 9 9 THR HA H 9 4.231 4.638 -0.407 1
1 12 . 19 1 1 A 9 9 THR CB C 9 69.722 69.964 -0.242 1
1 18 . 19 1 1 A 9 9 THR C C 9 174.222 172.830 1.392 1
1 19 . 19 1 1 A 10 10 ARG N N 10 124.169 128.292 -4.123 1
1 20 . 19 1 1 A 10 10 ARG H H 10 8.328 8.736 -0.408 1
1 21 . 19 1 1 A 10 10 ARG CA C 10 56.013 54.970 1.043 1
1 22 . 19 1 1 A 10 10 ARG HA H 10 4.251 4.332 -0.081 1
1 23 . 19 1 1 A 10 10 ARG CB C 10 30.838 28.281 2.557 1
1 29 . 19 1 1 A 10 10 ARG C C 10 175.968 175.942 0.026 1
1 33 . 19 1 1 A 11 11 LYS N N 11 123.653 126.780 -3.127 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.339 8.352 -0.013 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 56.035 55.991 0.044 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.174 4.427 -0.253 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 32.967 34.163 -1.196 1
1 44 . 19 1 1 A 11 11 LYS C C 11 175.763 175.221 0.542 1
1 49 . 19 1 1 A 12 12 ARG N N 12 120.724 118.291 2.433 1
1 50 . 19 1 1 A 12 12 ARG H H 12 8.016 7.378 0.638 1
1 51 . 19 1 1 A 12 12 ARG CA C 12 56.275 53.855 2.420 1
1 52 . 19 1 1 A 12 12 ARG HA H 12 4.204 4.649 -0.445 1
1 53 . 19 1 1 A 12 12 ARG CB C 12 31.979 35.293 -3.314 1
1 59 . 19 1 1 A 12 12 ARG C C 12 175.087 174.021 1.066 1
1 63 . 19 1 1 A 13 13 TYR N N 13 119.605 117.954 1.651 1
1 64 . 19 1 1 A 13 13 TYR H H 13 8.559 8.541 0.018 1
1 65 . 19 1 1 A 13 13 TYR CA C 13 57.661 56.970 0.691 1
1 66 . 19 1 1 A 13 13 TYR HA H 13 4.601 5.330 -0.729 1
1 67 . 19 1 1 A 13 13 TYR CB C 13 39.557 41.231 -1.674 1
1 77 . 19 1 1 A 13 13 TYR C C 13 174.706 175.643 -0.937 1
1 79 . 19 1 1 A 14 14 GLU N N 14 123.907 120.840 3.067 1
1 80 . 19 1 1 A 14 14 GLU H H 14 8.787 9.011 -0.224 1
1 81 . 19 1 1 A 14 14 GLU CA C 14 54.868 55.038 -0.170 1
1 82 . 19 1 1 A 14 14 GLU HA H 14 4.858 5.452 -0.594 1
1 83 . 19 1 1 A 14 14 GLU CB C 14 32.614 33.029 -0.415 1
1 87 . 19 1 1 A 14 14 GLU C C 14 175.009 174.944 0.065 1
1 90 . 19 1 1 A 15 15 CYS N N 15 126.801 122.876 3.925 1
1 91 . 19 1 1 A 15 15 CYS H H 15 8.846 9.316 -0.470 1
1 92 . 19 1 1 A 15 15 CYS CA C 15 59.805 57.373 2.432 1
1 93 . 19 1 1 A 15 15 CYS HA H 15 4.477 5.072 -0.595 1
1 94 . 19 1 1 A 15 15 CYS CB C 15 29.783 30.634 -0.851 1
1 96 . 19 1 1 A 15 15 CYS C C 15 176.142 175.549 0.593 1
1 98 . 19 1 1 A 16 16 SER CA C 16 60.236 58.339 1.897 1
1 99 . 19 1 1 A 16 16 SER HA H 16 4.429 4.753 -0.324 1
1 100 . 19 1 1 A 16 16 SER CB C 16 63.380 63.274 0.106 1
1 102 . 19 1 1 A 16 16 SER C C 16 174.975 174.692 0.283 1
1 104 . 19 1 1 A 17 17 LYS N N 17 123.704 119.376 4.328 1
1 105 . 19 1 1 A 17 17 LYS H H 17 9.085 7.896 1.189 1
1 106 . 19 1 1 A 17 17 LYS CA C 17 56.964 56.547 0.417 1
1 107 . 19 1 1 A 17 17 LYS HA H 17 4.309 4.376 -0.067 1
1 108 . 19 1 1 A 17 17 LYS CB C 17 33.110 35.131 -2.021 1
1 116 . 19 1 1 A 17 17 LYS C C 17 176.454 177.667 -1.213 1
1 121 . 19 1 1 A 18 18 CYS N N 18 117.611 113.753 3.858 1
1 122 . 19 1 1 A 18 18 CYS H H 18 7.842 8.009 -0.167 1
1 123 . 19 1 1 A 18 18 CYS CA C 18 58.533 58.417 0.116 1
1 124 . 19 1 1 A 18 18 CYS HA H 18 4.959 4.624 0.335 1
1 125 . 19 1 1 A 18 18 CYS CB C 18 31.098 29.529 1.569 1
1 127 . 19 1 1 A 18 18 CYS C C 18 174.286 174.645 -0.359 1
1 129 . 19 1 1 A 19 19 GLN N N 19 115.380 115.884 -0.504 1
1 130 . 19 1 1 A 19 19 GLN H H 19 8.099 7.909 0.190 1
1 131 . 19 1 1 A 19 19 GLN CA C 19 58.073 56.979 1.094 1
1 132 . 19 1 1 A 19 19 GLN HA H 19 4.196 4.059 0.137 1
1 133 . 19 1 1 A 19 19 GLN CB C 19 27.004 26.408 0.596 1
1 140 . 19 1 1 A 19 19 GLN C C 19 175.057 174.609 0.448 1
1 143 . 19 1 1 A 20 20 ALA N N 20 125.831 120.364 5.467 1
1 144 . 19 1 1 A 20 20 ALA H H 20 8.504 7.900 0.604 1
1 145 . 19 1 1 A 20 20 ALA CA C 20 53.802 51.925 1.877 1
1 146 . 19 1 1 A 20 20 ALA HA H 20 4.022 4.572 -0.550 1
1 147 . 19 1 1 A 20 20 ALA CB C 20 19.769 20.953 -1.184 1
1 151 . 19 1 1 A 20 20 ALA C C 20 176.208 176.961 -0.753 1
1 152 . 19 1 1 A 21 21 THR N N 21 110.430 109.444 0.986 1
1 153 . 19 1 1 A 21 21 THR H H 21 7.487 8.595 -1.108 1
1 154 . 19 1 1 A 21 21 THR CA C 21 59.643 59.284 0.359 1
1 155 . 19 1 1 A 21 21 THR HA H 21 5.057 5.642 -0.585 1
1 156 . 19 1 1 A 21 21 THR CB C 21 71.992 72.270 -0.278 1
1 162 . 19 1 1 A 21 21 THR C C 21 172.921 173.079 -0.158 1
1 163 . 19 1 1 A 22 22 PHE N N 22 117.143 117.750 -0.607 1
1 164 . 19 1 1 A 22 22 PHE H H 22 8.666 8.810 -0.144 1
1 165 . 19 1 1 A 22 22 PHE CA C 22 57.117 56.577 0.540 1
1 166 . 19 1 1 A 22 22 PHE HA H 22 4.827 5.007 -0.180 1
1 167 . 19 1 1 A 22 22 PHE CB C 22 44.378 44.385 -0.007 1
1 179 . 19 1 1 A 22 22 PHE C C 22 174.912 175.452 -0.540 1
1 181 . 19 1 1 A 23 23 ASN CA C 23 54.423 54.574 -0.151 1
1 182 . 19 1 1 A 23 23 ASN HA H 23 5.038 5.070 -0.032 1
1 183 . 19 1 1 A 23 23 ASN CB C 23 39.624 40.745 -1.121 1
1 188 . 19 1 1 A 23 23 ASN C C 23 174.719 175.241 -0.522 1
1 190 . 19 1 1 A 24 24 LEU N N 24 116.814 117.940 -1.126 1
1 191 . 19 1 1 A 24 24 LEU H H 24 7.520 8.124 -0.604 1
1 192 . 19 1 1 A 24 24 LEU CA C 24 53.161 53.387 -0.226 1
1 193 . 19 1 1 A 24 24 LEU HA H 24 4.774 4.806 -0.032 1
1 194 . 19 1 1 A 24 24 LEU CB C 24 44.687 44.044 0.643 1
1 206 . 19 1 1 A 24 24 LEU C C 24 177.051 177.409 -0.358 1
1 208 . 19 1 1 A 25 25 ARG N N 25 127.581 122.463 5.118 1
1 209 . 19 1 1 A 25 25 ARG H H 25 8.517 8.801 -0.284 1
1 210 . 19 1 1 A 25 25 ARG CA C 25 59.593 59.816 -0.223 1
1 211 . 19 1 1 A 25 25 ARG HA H 25 2.822 3.176 -0.354 1
1 212 . 19 1 1 A 25 25 ARG CB C 25 29.135 29.956 -0.821 1
1 218 . 19 1 1 A 25 25 ARG C C 25 178.315 178.073 0.242 1
1 222 . 19 1 1 A 26 26 LYS N N 26 115.815 118.395 -2.580 1
1 223 . 19 1 1 A 26 26 LYS H H 26 8.495 8.133 0.362 1
1 224 . 19 1 1 A 26 26 LYS CA C 26 59.134 58.998 0.136 1
1 225 . 19 1 1 A 26 26 LYS HA H 26 3.842 4.054 -0.212 1
1 226 . 19 1 1 A 26 26 LYS CB C 26 31.632 31.925 -0.293 1
1 234 . 19 1 1 A 26 26 LYS C C 26 178.251 178.743 -0.492 1
1 239 . 19 1 1 A 27 27 HIS N N 27 117.633 119.093 -1.460 1
1 240 . 19 1 1 A 27 27 HIS H H 27 6.643 8.161 -1.518 1
1 241 . 19 1 1 A 27 27 HIS CA C 27 56.893 58.917 -2.024 1
1 242 . 19 1 1 A 27 27 HIS HA H 27 4.395 4.357 0.038 1
1 243 . 19 1 1 A 27 27 HIS CB C 27 31.346 30.095 1.251 1
1 249 . 19 1 1 A 27 27 HIS C C 27 178.052 177.566 0.486 1
1 251 . 19 1 1 A 28 28 LEU N N 28 122.685 120.067 2.618 1
1 252 . 19 1 1 A 28 28 LEU H H 28 6.932 7.759 -0.827 1
1 253 . 19 1 1 A 28 28 LEU CA C 28 57.937 57.453 0.484 1
1 254 . 19 1 1 A 28 28 LEU HA H 28 3.236 2.932 0.304 1
1 255 . 19 1 1 A 28 28 LEU CB C 28 40.257 41.339 -1.082 1
1 267 . 19 1 1 A 28 28 LEU C C 28 177.710 178.247 -0.537 1
1 269 . 19 1 1 A 29 29 ILE N N 29 119.595 120.029 -0.434 1
1 270 . 19 1 1 A 29 29 ILE H H 29 8.045 7.999 0.046 1
1 271 . 19 1 1 A 29 29 ILE CA C 29 64.337 65.304 -0.967 1
1 272 . 19 1 1 A 29 29 ILE HA H 29 3.654 3.525 0.129 1
1 273 . 19 1 1 A 29 29 ILE CB C 29 37.272 37.723 -0.451 1
1 285 . 19 1 1 A 29 29 ILE C C 29 179.315 178.512 0.803 1
1 287 . 19 1 1 A 30 30 GLN N N 30 118.156 120.569 -2.413 1
1 288 . 19 1 1 A 30 30 GLN H H 30 7.507 8.028 -0.521 1
1 289 . 19 1 1 A 30 30 GLN CA C 30 58.708 58.950 -0.242 1
1 290 . 19 1 1 A 30 30 GLN HA H 30 3.924 3.941 -0.017 1
1 291 . 19 1 1 A 30 30 GLN CB C 30 28.351 28.176 0.175 1
1 298 . 19 1 1 A 30 30 GLN C C 30 178.602 178.105 0.497 1
1 301 . 19 1 1 A 31 31 HIS N N 31 118.789 119.893 -1.104 1
1 302 . 19 1 1 A 31 31 HIS H H 31 7.691 7.922 -0.231 1
1 303 . 19 1 1 A 31 31 HIS CA C 31 59.054 59.888 -0.834 1
1 304 . 19 1 1 A 31 31 HIS HA H 31 4.208 4.177 0.031 1
1 305 . 19 1 1 A 31 31 HIS CB C 31 28.726 29.517 -0.791 1
1 311 . 19 1 1 A 31 31 HIS C C 31 177.945 177.042 0.903 1
1 313 . 19 1 1 A 32 32 GLN N N 32 119.822 117.264 2.558 1
1 314 . 19 1 1 A 32 32 GLN H H 32 8.680 8.452 0.228 1
1 315 . 19 1 1 A 32 32 GLN CA C 32 59.589 58.854 0.735 1
1 316 . 19 1 1 A 32 32 GLN HA H 32 3.710 3.757 -0.047 1
1 317 . 19 1 1 A 32 32 GLN CB C 32 27.916 28.408 -0.492 1
1 324 . 19 1 1 A 32 32 GLN C C 32 178.170 178.589 -0.419 1
1 327 . 19 1 1 A 33 33 LYS N N 33 118.224 119.761 -1.537 1
1 328 . 19 1 1 A 33 33 LYS H H 33 7.248 7.610 -0.362 1
1 329 . 19 1 1 A 33 33 LYS CA C 33 58.912 59.440 -0.528 1
1 330 . 19 1 1 A 33 33 LYS HA H 33 4.050 3.963 0.087 1
1 331 . 19 1 1 A 33 33 LYS CB C 33 32.160 32.229 -0.069 1
1 338 . 19 1 1 A 33 33 LYS C C 33 178.506 179.573 -1.067 1
1 343 . 19 1 1 A 34 34 THR N N 34 109.843 114.553 -4.710 1
1 344 . 19 1 1 A 34 34 THR H H 34 7.690 8.204 -0.514 1
1 345 . 19 1 1 A 34 34 THR CA C 34 63.891 64.191 -0.300 1
1 346 . 19 1 1 A 34 34 THR HA H 34 4.047 3.962 0.085 1
1 347 . 19 1 1 A 34 34 THR CB C 34 69.205 68.372 0.833 1
1 353 . 19 1 1 A 34 34 THR C C 34 175.352 175.454 -0.102 1
1 354 . 19 1 1 A 35 35 HIS N N 35 117.905 117.588 0.317 1
1 355 . 19 1 1 A 35 35 HIS H H 35 6.998 7.487 -0.489 1
1 356 . 19 1 1 A 35 35 HIS CA C 35 55.067 55.261 -0.194 1
1 357 . 19 1 1 A 35 35 HIS HA H 35 4.763 4.656 0.107 1
1 358 . 19 1 1 A 35 35 HIS CB C 35 28.672 29.361 -0.689 1
1 364 . 19 1 1 A 35 35 HIS C C 35 174.592 174.980 -0.388 1
1 366 . 19 1 1 A 36 36 ALA N N 36 123.690 123.318 0.372 1
1 367 . 19 1 1 A 36 36 ALA H H 36 7.542 7.394 0.148 1
1 368 . 19 1 1 A 36 36 ALA CA C 36 52.507 51.036 1.471 1
1 369 . 19 1 1 A 36 36 ALA HA H 36 4.247 4.356 -0.109 1
1 370 . 19 1 1 A 36 36 ALA CB C 36 19.368 20.064 -0.696 1
1 374 . 19 1 1 A 36 36 ALA C C 36 177.263 177.991 -0.728 1
1 375 . 19 1 1 A 37 37 ALA N N 37 123.646 127.105 -3.459 1
1 376 . 19 1 1 A 37 37 ALA H H 37 8.194 8.763 -0.569 1
1 377 . 19 1 1 A 37 37 ALA CA C 37 52.517 51.818 0.699 1
1 378 . 19 1 1 A 37 37 ALA HA H 37 4.244 4.519 -0.275 1
1 379 . 19 1 1 A 37 37 ALA CB C 37 19.181 18.837 0.344 1
1 383 . 19 1 1 A 37 37 ALA C C 37 177.787 178.103 -0.316 1
1 384 . 19 1 1 A 38 38 LYS N N 38 120.872 116.091 4.781 1
1 385 . 19 1 1 A 38 38 LYS H H 38 8.304 7.866 0.438 1
1 386 . 19 1 1 A 38 38 LYS CA C 38 56.161 56.929 -0.768 1
1 387 . 19 1 1 A 38 38 LYS HA H 38 4.304 4.535 -0.231 1
1 388 . 19 1 1 A 38 38 LYS CB C 38 33.014 34.162 -1.148 1
1 396 . 19 1 1 A 38 38 LYS C C 38 176.530 175.963 0.567 1
1 401 . 19 1 1 A 40 40 GLY CA C 40 44.610 43.910 0.700 1
1 402 . 19 1 1 A 40 40 GLY HA3 H 40 4.091 4.218 -0.127 1
1 403 . 19 1 1 A 40 40 GLY HA2 H 40 4.091 4.218 -0.127 1
1 404 . 19 1 1 A 41 41 PRO CA C 41 63.260 62.744 0.516 1
1 405 . 19 1 1 A 41 41 PRO HA H 41 4.424 4.599 -0.175 1
1 406 . 19 1 1 A 41 41 PRO CB C 41 32.165 31.679 0.486 1
1 415 . 19 1 1 A 43 43 SER CA C 43 58.325 57.671 0.654 1
1 416 . 19 1 1 A 43 43 SER HA H 43 4.444 4.844 -0.400 1
1 417 . 19 1 1 A 43 43 SER CB C 43 64.067 65.729 -1.662 1
1 419 . 19 1 1 A 43 43 SER C C 43 173.889 174.052 -0.163 1
1 1 . 20 1 1 A 8 8 HIS CA C 8 56.286 57.956 -1.670 1
1 2 . 20 1 1 A 8 8 HIS HA H 8 4.631 4.441 0.190 1
1 3 . 20 1 1 A 8 8 HIS CB C 8 30.954 30.567 0.387 1
1 10 . 20 1 1 A 9 9 THR CA C 9 61.910 65.506 -3.596 1
1 11 . 20 1 1 A 9 9 THR HA H 9 4.231 4.057 0.174 1
1 12 . 20 1 1 A 9 9 THR CB C 9 69.722 68.345 1.377 1
1 18 . 20 1 1 A 9 9 THR C C 9 174.222 174.288 -0.066 1
1 19 . 20 1 1 A 10 10 ARG N N 10 124.169 122.079 2.090 1
1 20 . 20 1 1 A 10 10 ARG H H 10 8.328 7.705 0.623 1
1 21 . 20 1 1 A 10 10 ARG CA C 10 56.013 55.155 0.858 1
1 22 . 20 1 1 A 10 10 ARG HA H 10 4.251 4.762 -0.511 1
1 23 . 20 1 1 A 10 10 ARG CB C 10 30.838 31.587 -0.749 1
1 29 . 20 1 1 A 10 10 ARG C C 10 175.968 174.905 1.063 1
1 33 . 20 1 1 A 11 11 LYS N N 11 123.653 128.190 -4.537 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.339 8.779 -0.440 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 56.035 54.477 1.558 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.174 5.009 -0.835 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 32.967 35.340 -2.373 1
1 44 . 20 1 1 A 11 11 LYS C C 11 175.763 174.678 1.085 1
1 49 . 20 1 1 A 12 12 ARG N N 12 120.724 125.133 -4.409 1
1 50 . 20 1 1 A 12 12 ARG H H 12 8.016 8.760 -0.744 1
1 51 . 20 1 1 A 12 12 ARG CA C 12 56.275 54.265 2.010 1
1 52 . 20 1 1 A 12 12 ARG HA H 12 4.204 4.707 -0.503 1
1 53 . 20 1 1 A 12 12 ARG CB C 12 31.979 33.296 -1.317 1
1 59 . 20 1 1 A 12 12 ARG C C 12 175.087 175.395 -0.308 1
1 63 . 20 1 1 A 13 13 TYR N N 13 119.605 121.190 -1.585 1
1 64 . 20 1 1 A 13 13 TYR H H 13 8.559 8.495 0.064 1
1 65 . 20 1 1 A 13 13 TYR CA C 13 57.661 60.027 -2.366 1
1 66 . 20 1 1 A 13 13 TYR HA H 13 4.601 4.493 0.108 1
1 67 . 20 1 1 A 13 13 TYR CB C 13 39.557 38.775 0.782 1
1 77 . 20 1 1 A 13 13 TYR C C 13 174.706 176.410 -1.704 1
1 79 . 20 1 1 A 14 14 GLU N N 14 123.907 123.238 0.669 1
1 80 . 20 1 1 A 14 14 GLU H H 14 8.787 9.122 -0.335 1
1 81 . 20 1 1 A 14 14 GLU CA C 14 54.868 55.351 -0.483 1
1 82 . 20 1 1 A 14 14 GLU HA H 14 4.858 5.325 -0.467 1
1 83 . 20 1 1 A 14 14 GLU CB C 14 32.614 32.649 -0.035 1
1 87 . 20 1 1 A 14 14 GLU C C 14 175.009 175.319 -0.310 1
1 90 . 20 1 1 A 15 15 CYS N N 15 126.801 122.720 4.081 1
1 91 . 20 1 1 A 15 15 CYS H H 15 8.846 8.772 0.074 1
1 92 . 20 1 1 A 15 15 CYS CA C 15 59.805 57.700 2.105 1
1 93 . 20 1 1 A 15 15 CYS HA H 15 4.477 5.050 -0.573 1
1 94 . 20 1 1 A 15 15 CYS CB C 15 29.783 30.559 -0.776 1
1 96 . 20 1 1 A 15 15 CYS C C 15 176.142 175.668 0.474 1
1 98 . 20 1 1 A 16 16 SER CA C 16 60.236 58.455 1.781 1
1 99 . 20 1 1 A 16 16 SER HA H 16 4.429 4.665 -0.236 1
1 100 . 20 1 1 A 16 16 SER CB C 16 63.380 63.166 0.214 1
1 102 . 20 1 1 A 16 16 SER C C 16 174.975 175.190 -0.215 1
1 104 . 20 1 1 A 17 17 LYS N N 17 123.704 121.286 2.418 1
1 105 . 20 1 1 A 17 17 LYS H H 17 9.085 7.872 1.213 1
1 106 . 20 1 1 A 17 17 LYS CA C 17 56.964 56.556 0.408 1
1 107 . 20 1 1 A 17 17 LYS HA H 17 4.309 4.338 -0.029 1
1 108 . 20 1 1 A 17 17 LYS CB C 17 33.110 34.922 -1.812 1
1 116 . 20 1 1 A 17 17 LYS C C 17 176.454 177.754 -1.300 1
1 121 . 20 1 1 A 18 18 CYS N N 18 117.611 113.778 3.833 1
1 122 . 20 1 1 A 18 18 CYS H H 18 7.842 8.058 -0.216 1
1 123 . 20 1 1 A 18 18 CYS CA C 18 58.533 58.439 0.094 1
1 124 . 20 1 1 A 18 18 CYS HA H 18 4.959 4.678 0.281 1
1 125 . 20 1 1 A 18 18 CYS CB C 18 31.098 29.735 1.363 1
1 127 . 20 1 1 A 18 18 CYS C C 18 174.286 174.639 -0.353 1
1 129 . 20 1 1 A 19 19 GLN N N 19 115.380 116.224 -0.844 1
1 130 . 20 1 1 A 19 19 GLN H H 19 8.099 7.992 0.107 1
1 131 . 20 1 1 A 19 19 GLN CA C 19 58.073 57.040 1.033 1
1 132 . 20 1 1 A 19 19 GLN HA H 19 4.196 4.058 0.138 1
1 133 . 20 1 1 A 19 19 GLN CB C 19 27.004 26.084 0.920 1
1 140 . 20 1 1 A 19 19 GLN C C 19 175.057 174.081 0.976 1
1 143 . 20 1 1 A 20 20 ALA N N 20 125.831 120.339 5.492 1
1 144 . 20 1 1 A 20 20 ALA H H 20 8.504 7.832 0.672 1
1 145 . 20 1 1 A 20 20 ALA CA C 20 53.802 50.708 3.094 1
1 146 . 20 1 1 A 20 20 ALA HA H 20 4.022 4.678 -0.656 1
1 147 . 20 1 1 A 20 20 ALA CB C 20 19.769 21.536 -1.767 1
1 151 . 20 1 1 A 20 20 ALA C C 20 176.208 176.364 -0.156 1
1 152 . 20 1 1 A 21 21 THR N N 21 110.430 108.609 1.821 1
1 153 . 20 1 1 A 21 21 THR H H 21 7.487 8.416 -0.929 1
1 154 . 20 1 1 A 21 21 THR CA C 21 59.643 59.294 0.349 1
1 155 . 20 1 1 A 21 21 THR HA H 21 5.057 5.215 -0.158 1
1 156 . 20 1 1 A 21 21 THR CB C 21 71.992 71.970 0.022 1
1 162 . 20 1 1 A 21 21 THR C C 21 172.921 173.382 -0.461 1
1 163 . 20 1 1 A 22 22 PHE N N 22 117.143 118.484 -1.341 1
1 164 . 20 1 1 A 22 22 PHE H H 22 8.666 8.253 0.413 1
1 165 . 20 1 1 A 22 22 PHE CA C 22 57.117 56.514 0.603 1
1 166 . 20 1 1 A 22 22 PHE HA H 22 4.827 5.002 -0.175 1
1 167 . 20 1 1 A 22 22 PHE CB C 22 44.378 42.797 1.581 1
1 179 . 20 1 1 A 22 22 PHE C C 22 174.912 175.678 -0.766 1
1 181 . 20 1 1 A 23 23 ASN CA C 23 54.423 56.029 -1.606 1
1 182 . 20 1 1 A 23 23 ASN HA H 23 5.038 4.761 0.277 1
1 183 . 20 1 1 A 23 23 ASN CB C 23 39.624 40.319 -0.695 1
1 188 . 20 1 1 A 23 23 ASN C C 23 174.719 175.717 -0.998 1
1 190 . 20 1 1 A 24 24 LEU N N 24 116.814 117.835 -1.021 1
1 191 . 20 1 1 A 24 24 LEU H H 24 7.520 8.315 -0.795 1
1 192 . 20 1 1 A 24 24 LEU CA C 24 53.161 53.352 -0.191 1
1 193 . 20 1 1 A 24 24 LEU HA H 24 4.774 4.657 0.117 1
1 194 . 20 1 1 A 24 24 LEU CB C 24 44.687 43.417 1.270 1
1 206 . 20 1 1 A 24 24 LEU C C 24 177.051 177.370 -0.319 1
1 208 . 20 1 1 A 25 25 ARG N N 25 127.581 122.380 5.201 1
1 209 . 20 1 1 A 25 25 ARG H H 25 8.517 8.559 -0.042 1
1 210 . 20 1 1 A 25 25 ARG CA C 25 59.593 59.144 0.449 1
1 211 . 20 1 1 A 25 25 ARG HA H 25 2.822 3.388 -0.566 1
1 212 . 20 1 1 A 25 25 ARG CB C 25 29.135 30.094 -0.959 1
1 218 . 20 1 1 A 25 25 ARG C C 25 178.315 178.094 0.221 1
1 222 . 20 1 1 A 26 26 LYS N N 26 115.815 118.493 -2.678 1
1 223 . 20 1 1 A 26 26 LYS H H 26 8.495 8.037 0.458 1
1 224 . 20 1 1 A 26 26 LYS CA C 26 59.134 58.869 0.265 1
1 225 . 20 1 1 A 26 26 LYS HA H 26 3.842 4.031 -0.189 1
1 226 . 20 1 1 A 26 26 LYS CB C 26 31.632 31.921 -0.289 1
1 234 . 20 1 1 A 26 26 LYS C C 26 178.251 178.485 -0.234 1
1 239 . 20 1 1 A 27 27 HIS N N 27 117.633 118.936 -1.303 1
1 240 . 20 1 1 A 27 27 HIS H H 27 6.643 8.109 -1.466 1
1 241 . 20 1 1 A 27 27 HIS CA C 27 56.893 58.666 -1.773 1
1 242 . 20 1 1 A 27 27 HIS HA H 27 4.395 4.248 0.147 1
1 243 . 20 1 1 A 27 27 HIS CB C 27 31.346 29.970 1.376 1
1 249 . 20 1 1 A 27 27 HIS C C 27 178.052 177.238 0.814 1
1 251 . 20 1 1 A 28 28 LEU N N 28 122.685 120.200 2.485 1
1 252 . 20 1 1 A 28 28 LEU H H 28 6.932 8.098 -1.166 1
1 253 . 20 1 1 A 28 28 LEU CA C 28 57.937 57.949 -0.012 1
1 254 . 20 1 1 A 28 28 LEU HA H 28 3.236 2.915 0.321 1
1 255 . 20 1 1 A 28 28 LEU CB C 28 40.257 41.667 -1.410 1
1 267 . 20 1 1 A 28 28 LEU C C 28 177.710 178.393 -0.683 1
1 269 . 20 1 1 A 29 29 ILE N N 29 119.595 119.859 -0.264 1
1 270 . 20 1 1 A 29 29 ILE H H 29 8.045 7.715 0.330 1
1 271 . 20 1 1 A 29 29 ILE CA C 29 64.337 65.269 -0.932 1
1 272 . 20 1 1 A 29 29 ILE HA H 29 3.654 3.471 0.183 1
1 273 . 20 1 1 A 29 29 ILE CB C 29 37.272 37.670 -0.398 1
1 285 . 20 1 1 A 29 29 ILE C C 29 179.315 178.031 1.284 1
1 287 . 20 1 1 A 30 30 GLN N N 30 118.156 119.724 -1.568 1
1 288 . 20 1 1 A 30 30 GLN H H 30 7.507 8.427 -0.920 1
1 289 . 20 1 1 A 30 30 GLN CA C 30 58.708 58.616 0.092 1
1 290 . 20 1 1 A 30 30 GLN HA H 30 3.924 3.968 -0.044 1
1 291 . 20 1 1 A 30 30 GLN CB C 30 28.351 28.475 -0.124 1
1 298 . 20 1 1 A 30 30 GLN C C 30 178.602 178.327 0.275 1
1 301 . 20 1 1 A 31 31 HIS N N 31 118.789 119.613 -0.824 1
1 302 . 20 1 1 A 31 31 HIS H H 31 7.691 7.985 -0.294 1
1 303 . 20 1 1 A 31 31 HIS CA C 31 59.054 59.232 -0.178 1
1 304 . 20 1 1 A 31 31 HIS HA H 31 4.208 4.186 0.022 1
1 305 . 20 1 1 A 31 31 HIS CB C 31 28.726 29.791 -1.065 1
1 311 . 20 1 1 A 31 31 HIS C C 31 177.945 177.104 0.841 1
1 313 . 20 1 1 A 32 32 GLN N N 32 119.822 117.399 2.423 1
1 314 . 20 1 1 A 32 32 GLN H H 32 8.680 8.186 0.494 1
1 315 . 20 1 1 A 32 32 GLN CA C 32 59.589 59.192 0.397 1
1 316 . 20 1 1 A 32 32 GLN HA H 32 3.710 3.738 -0.028 1
1 317 . 20 1 1 A 32 32 GLN CB C 32 27.916 28.290 -0.374 1
1 324 . 20 1 1 A 32 32 GLN C C 32 178.170 178.358 -0.188 1
1 327 . 20 1 1 A 33 33 LYS N N 33 118.224 119.777 -1.553 1
1 328 . 20 1 1 A 33 33 LYS H H 33 7.248 8.037 -0.789 1
1 329 . 20 1 1 A 33 33 LYS CA C 33 58.912 59.042 -0.130 1
1 330 . 20 1 1 A 33 33 LYS HA H 33 4.050 3.935 0.115 1
1 331 . 20 1 1 A 33 33 LYS CB C 33 32.160 32.278 -0.118 1
1 338 . 20 1 1 A 33 33 LYS C C 33 178.506 179.074 -0.568 1
1 343 . 20 1 1 A 34 34 THR N N 34 109.843 113.877 -4.034 1
1 344 . 20 1 1 A 34 34 THR H H 34 7.690 8.063 -0.373 1
1 345 . 20 1 1 A 34 34 THR CA C 34 63.891 65.020 -1.129 1
1 346 . 20 1 1 A 34 34 THR HA H 34 4.047 3.954 0.093 1
1 347 . 20 1 1 A 34 34 THR CB C 34 69.205 68.573 0.632 1
1 353 . 20 1 1 A 34 34 THR C C 34 175.352 176.395 -1.043 1
1 354 . 20 1 1 A 35 35 HIS N N 35 117.905 116.490 1.415 1
1 355 . 20 1 1 A 35 35 HIS H H 35 6.998 7.787 -0.789 1
1 356 . 20 1 1 A 35 35 HIS CA C 35 55.067 59.083 -4.016 1
1 357 . 20 1 1 A 35 35 HIS HA H 35 4.763 4.263 0.500 1
1 358 . 20 1 1 A 35 35 HIS CB C 35 28.672 30.219 -1.547 1
1 364 . 20 1 1 A 35 35 HIS C C 35 174.592 175.923 -1.331 1
1 366 . 20 1 1 A 36 36 ALA N N 36 123.690 120.703 2.987 1
1 367 . 20 1 1 A 36 36 ALA H H 36 7.542 7.189 0.353 1
1 368 . 20 1 1 A 36 36 ALA CA C 36 52.507 53.074 -0.567 1
1 369 . 20 1 1 A 36 36 ALA HA H 36 4.247 4.025 0.222 1
1 370 . 20 1 1 A 36 36 ALA CB C 36 19.368 19.488 -0.120 1
1 374 . 20 1 1 A 36 36 ALA C C 36 177.263 178.970 -1.707 1
1 375 . 20 1 1 A 37 37 ALA N N 37 123.646 126.288 -2.642 1
1 376 . 20 1 1 A 37 37 ALA H H 37 8.194 8.736 -0.542 1
1 377 . 20 1 1 A 37 37 ALA CA C 37 52.517 55.731 -3.214 1
1 378 . 20 1 1 A 37 37 ALA HA H 37 4.244 3.985 0.259 1
1 379 . 20 1 1 A 37 37 ALA CB C 37 19.181 18.703 0.478 1
1 383 . 20 1 1 A 37 37 ALA C C 37 177.787 178.335 -0.548 1
1 384 . 20 1 1 A 38 38 LYS N N 38 120.872 115.394 5.478 1
1 385 . 20 1 1 A 38 38 LYS H H 38 8.304 8.308 -0.004 1
1 386 . 20 1 1 A 38 38 LYS CA C 38 56.161 56.320 -0.159 1
1 387 . 20 1 1 A 38 38 LYS HA H 38 4.304 4.360 -0.056 1
1 388 . 20 1 1 A 38 38 LYS CB C 38 33.014 32.603 0.411 1
1 396 . 20 1 1 A 38 38 LYS C C 38 176.530 176.637 -0.107 1
1 401 . 20 1 1 A 40 40 GLY CA C 40 44.610 44.659 -0.049 1
1 402 . 20 1 1 A 40 40 GLY HA3 H 40 4.091 4.105 -0.014 1
1 403 . 20 1 1 A 40 40 GLY HA2 H 40 4.091 4.104 -0.013 1
1 404 . 20 1 1 A 41 41 PRO CA C 41 63.260 64.782 -1.522 1
1 405 . 20 1 1 A 41 41 PRO HA H 41 4.424 4.454 -0.030 1
1 406 . 20 1 1 A 41 41 PRO CB C 41 32.165 32.181 -0.016 1
1 415 . 20 1 1 A 43 43 SER CA C 43 58.325 58.687 -0.362 1
1 416 . 20 1 1 A 43 43 SER HA H 43 4.444 4.590 -0.146 1
1 417 . 20 1 1 A 43 43 SER CB C 43 64.067 63.851 0.216 1
1 419 . 20 1 1 A 43 43 SER C C 43 173.889 174.432 -0.543 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 31 0.884 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.315 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.145 1
4 1 1 1 "RMS(OBS, PRED)" H 27 0.569 1
5 1 1 1 "RMS(OBS, PRED)" HA 35 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 27 2.571 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.897 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.697 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.453 1
10 1 2 1 "RMS(OBS, PRED)" H 27 0.612 1
11 1 2 1 "RMS(OBS, PRED)" HA 35 0.344 1
12 1 2 1 "RMS(OBS, PRED)" N 27 2.777 1
13 1 3 1 "RMS(OBS, PRED)" C 31 1.011 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.434 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.739 1
16 1 3 1 "RMS(OBS, PRED)" H 27 0.601 1
17 1 3 1 "RMS(OBS, PRED)" HA 35 0.359 1
18 1 3 1 "RMS(OBS, PRED)" N 27 2.982 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.828 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.355 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.276 1
22 1 4 1 "RMS(OBS, PRED)" H 27 0.587 1
23 1 4 1 "RMS(OBS, PRED)" HA 35 0.287 1
24 1 4 1 "RMS(OBS, PRED)" N 27 2.909 1
25 1 5 1 "RMS(OBS, PRED)" C 31 1.022 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.641 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.084 1
28 1 5 1 "RMS(OBS, PRED)" H 27 0.655 1
29 1 5 1 "RMS(OBS, PRED)" HA 35 0.304 1
30 1 5 1 "RMS(OBS, PRED)" N 27 2.892 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.924 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.399 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.183 1
34 1 6 1 "RMS(OBS, PRED)" H 27 0.618 1
35 1 6 1 "RMS(OBS, PRED)" HA 35 0.355 1
36 1 6 1 "RMS(OBS, PRED)" N 27 2.502 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.942 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.422 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.297 1
40 1 7 1 "RMS(OBS, PRED)" H 27 0.677 1
41 1 7 1 "RMS(OBS, PRED)" HA 35 0.299 1
42 1 7 1 "RMS(OBS, PRED)" N 27 3.072 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.822 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.251 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.306 1
46 1 8 1 "RMS(OBS, PRED)" H 27 0.590 1
47 1 8 1 "RMS(OBS, PRED)" HA 35 0.299 1
48 1 8 1 "RMS(OBS, PRED)" N 27 3.000 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.965 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.375 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.314 1
52 1 9 1 "RMS(OBS, PRED)" H 27 0.671 1
53 1 9 1 "RMS(OBS, PRED)" HA 35 0.281 1
54 1 9 1 "RMS(OBS, PRED)" N 27 2.495 1
55 1 10 1 "RMS(OBS, PRED)" C 31 1.006 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.651 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.345 1
58 1 10 1 "RMS(OBS, PRED)" H 27 0.627 1
59 1 10 1 "RMS(OBS, PRED)" HA 35 0.357 1
60 1 10 1 "RMS(OBS, PRED)" N 27 2.415 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.901 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.548 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.297 1
64 1 11 1 "RMS(OBS, PRED)" H 27 0.671 1
65 1 11 1 "RMS(OBS, PRED)" HA 35 0.307 1
66 1 11 1 "RMS(OBS, PRED)" N 27 2.709 1
67 1 12 1 "RMS(OBS, PRED)" C 31 0.788 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.501 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.377 1
70 1 12 1 "RMS(OBS, PRED)" H 27 0.587 1
71 1 12 1 "RMS(OBS, PRED)" HA 35 0.359 1
72 1 12 1 "RMS(OBS, PRED)" N 27 2.558 1
73 1 13 1 "RMS(OBS, PRED)" C 31 0.797 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.437 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.149 1
76 1 13 1 "RMS(OBS, PRED)" H 27 0.568 1
77 1 13 1 "RMS(OBS, PRED)" HA 35 0.302 1
78 1 13 1 "RMS(OBS, PRED)" N 27 2.805 1
79 1 14 1 "RMS(OBS, PRED)" C 31 0.815 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.217 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.145 1
82 1 14 1 "RMS(OBS, PRED)" H 27 0.725 1
83 1 14 1 "RMS(OBS, PRED)" HA 35 0.235 1
84 1 14 1 "RMS(OBS, PRED)" N 27 2.385 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.683 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.254 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.355 1
88 1 15 1 "RMS(OBS, PRED)" H 27 0.560 1
89 1 15 1 "RMS(OBS, PRED)" HA 35 0.266 1
90 1 15 1 "RMS(OBS, PRED)" N 27 2.549 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.913 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.357 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.325 1
94 1 16 1 "RMS(OBS, PRED)" H 27 0.607 1
95 1 16 1 "RMS(OBS, PRED)" HA 35 0.285 1
96 1 16 1 "RMS(OBS, PRED)" N 27 2.744 1
97 1 17 1 "RMS(OBS, PRED)" C 31 0.772 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.431 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.114 1
100 1 17 1 "RMS(OBS, PRED)" H 27 0.638 1
101 1 17 1 "RMS(OBS, PRED)" HA 35 0.329 1
102 1 17 1 "RMS(OBS, PRED)" N 27 2.570 1
103 1 18 1 "RMS(OBS, PRED)" C 31 1.023 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.275 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.578 1
106 1 18 1 "RMS(OBS, PRED)" H 27 0.644 1
107 1 18 1 "RMS(OBS, PRED)" HA 35 0.376 1
108 1 18 1 "RMS(OBS, PRED)" N 27 2.611 1
109 1 19 1 "RMS(OBS, PRED)" C 31 0.652 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.042 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.172 1
112 1 19 1 "RMS(OBS, PRED)" H 27 0.590 1
113 1 19 1 "RMS(OBS, PRED)" HA 35 0.313 1
114 1 19 1 "RMS(OBS, PRED)" N 27 3.050 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.832 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.608 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.039 1
118 1 20 1 "RMS(OBS, PRED)" H 27 0.671 1
119 1 20 1 "RMS(OBS, PRED)" HA 35 0.321 1
120 1 20 1 "RMS(OBS, PRED)" N 27 3.034 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 8 8 HIS CA C 8 56.286 56.276 0.010 2
1 2 . 1 1 A 8 8 HIS HA H 8 4.631 4.597 0.034 2
1 3 . 1 1 A 8 8 HIS CB C 8 30.954 30.046 0.908 2
1 10 . 1 1 A 9 9 THR CA C 9 61.910 62.695 -0.785 2
1 11 . 1 1 A 9 9 THR HA H 9 4.231 4.285 -0.054 2
1 12 . 1 1 A 9 9 THR CB C 9 69.722 69.171 0.551 2
1 18 . 1 1 A 9 9 THR C C 9 174.222 174.138 0.084 2
1 19 . 1 1 A 10 10 ARG N N 10 124.169 122.410 1.759 2
1 20 . 1 1 A 10 10 ARG H H 10 8.328 8.070 0.258 2
1 21 . 1 1 A 10 10 ARG CA C 10 56.013 55.601 0.412 2
1 22 . 1 1 A 10 10 ARG HA H 10 4.251 4.507 -0.256 2
1 23 . 1 1 A 10 10 ARG CB C 10 30.838 31.129 -0.291 2
1 29 . 1 1 A 10 10 ARG C C 10 175.968 175.765 0.203 2
1 33 . 1 1 A 11 11 LYS N N 11 123.653 122.316 1.337 2
1 34 . 1 1 A 11 11 LYS H H 11 8.339 8.397 -0.058 2
1 35 . 1 1 A 11 11 LYS CA C 11 56.035 55.764 0.271 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.174 4.619 -0.445 2
1 37 . 1 1 A 11 11 LYS CB C 11 32.967 34.304 -1.337 2
1 44 . 1 1 A 11 11 LYS C C 11 175.763 175.418 0.345 2
1 49 . 1 1 A 12 12 ARG N N 12 120.724 120.131 0.593 2
1 50 . 1 1 A 12 12 ARG H H 12 8.016 8.159 -0.143 2
1 51 . 1 1 A 12 12 ARG CA C 12 56.275 54.401 1.874 2
1 52 . 1 1 A 12 12 ARG HA H 12 4.204 4.680 -0.476 2
1 53 . 1 1 A 12 12 ARG CB C 12 31.979 33.746 -1.767 2
1 59 . 1 1 A 12 12 ARG C C 12 175.087 174.937 0.150 2
1 63 . 1 1 A 13 13 TYR N N 13 119.605 120.511 -0.906 2
1 64 . 1 1 A 13 13 TYR H H 13 8.559 8.677 -0.118 2
1 65 . 1 1 A 13 13 TYR CA C 13 57.661 58.743 -1.082 2
1 66 . 1 1 A 13 13 TYR HA H 13 4.601 4.824 -0.223 2
1 67 . 1 1 A 13 13 TYR CB C 13 39.557 39.684 -0.127 2
1 77 . 1 1 A 13 13 TYR C C 13 174.706 175.794 -1.089 2
1 79 . 1 1 A 14 14 GLU N N 14 123.907 122.578 1.329 2
1 80 . 1 1 A 14 14 GLU H H 14 8.787 9.041 -0.254 2
1 81 . 1 1 A 14 14 GLU CA C 14 54.868 54.818 0.050 2
1 82 . 1 1 A 14 14 GLU HA H 14 4.858 5.401 -0.543 2
1 83 . 1 1 A 14 14 GLU CB C 14 32.614 33.104 -0.490 2
1 87 . 1 1 A 14 14 GLU C C 14 175.009 175.128 -0.119 2
1 90 . 1 1 A 15 15 CYS N N 15 126.801 123.793 3.009 2
1 91 . 1 1 A 15 15 CYS H H 15 8.846 8.976 -0.130 2
1 92 . 1 1 A 15 15 CYS CA C 15 59.805 58.240 1.565 2
1 93 . 1 1 A 15 15 CYS HA H 15 4.477 4.935 -0.458 2
1 94 . 1 1 A 15 15 CYS CB C 15 29.783 29.886 -0.103 2
1 96 . 1 1 A 15 15 CYS C C 15 176.142 175.534 0.608 2
1 98 . 1 1 A 16 16 SER CA C 16 60.236 58.839 1.398 2
1 99 . 1 1 A 16 16 SER HA H 16 4.429 4.616 -0.187 2
1 100 . 1 1 A 16 16 SER CB C 16 63.380 63.512 -0.132 2
1 102 . 1 1 A 16 16 SER C C 16 174.975 175.138 -0.163 2
1 104 . 1 1 A 17 17 LYS N N 17 123.704 119.999 3.705 2
1 105 . 1 1 A 17 17 LYS H H 17 9.085 7.843 1.242 2
1 106 . 1 1 A 17 17 LYS CA C 17 56.964 57.395 -0.431 2
1 107 . 1 1 A 17 17 LYS HA H 17 4.309 4.346 -0.037 2
1 108 . 1 1 A 17 17 LYS CB C 17 33.110 34.145 -1.035 2
1 116 . 1 1 A 17 17 LYS C C 17 176.454 177.925 -1.471 2
1 121 . 1 1 A 18 18 CYS N N 18 117.611 114.768 2.843 2
1 122 . 1 1 A 18 18 CYS H H 18 7.842 7.946 -0.104 2
1 123 . 1 1 A 18 18 CYS CA C 18 58.533 58.544 -0.011 2
1 124 . 1 1 A 18 18 CYS HA H 18 4.959 4.572 0.387 2
1 125 . 1 1 A 18 18 CYS CB C 18 31.098 28.725 2.373 2
1 127 . 1 1 A 18 18 CYS C C 18 174.286 174.773 -0.487 2
1 129 . 1 1 A 19 19 GLN N N 19 115.380 116.793 -1.413 2
1 130 . 1 1 A 19 19 GLN H H 19 8.099 7.947 0.152 2
1 131 . 1 1 A 19 19 GLN CA C 19 58.073 56.970 1.103 2
1 132 . 1 1 A 19 19 GLN HA H 19 4.196 4.180 0.016 2
1 133 . 1 1 A 19 19 GLN CB C 19 27.004 26.232 0.772 2
1 140 . 1 1 A 19 19 GLN C C 19 175.057 174.386 0.671 2
1 143 . 1 1 A 20 20 ALA N N 20 125.831 120.927 4.904 2
1 144 . 1 1 A 20 20 ALA H H 20 8.504 7.818 0.686 2
1 145 . 1 1 A 20 20 ALA CA C 20 53.802 51.041 2.761 2
1 146 . 1 1 A 20 20 ALA HA H 20 4.022 4.610 -0.588 2
1 147 . 1 1 A 20 20 ALA CB C 20 19.769 21.273 -1.504 2
1 151 . 1 1 A 20 20 ALA C C 20 176.208 176.849 -0.641 2
1 152 . 1 1 A 21 21 THR N N 21 110.430 109.631 0.799 2
1 153 . 1 1 A 21 21 THR H H 21 7.487 8.450 -0.963 2
1 154 . 1 1 A 21 21 THR CA C 21 59.643 59.644 -0.001 2
1 155 . 1 1 A 21 21 THR HA H 21 5.057 5.388 -0.331 2
1 156 . 1 1 A 21 21 THR CB C 21 71.992 71.435 0.557 2
1 162 . 1 1 A 21 21 THR C C 21 172.921 173.379 -0.458 2
1 163 . 1 1 A 22 22 PHE N N 22 117.143 118.764 -1.621 2
1 164 . 1 1 A 22 22 PHE H H 22 8.666 8.612 0.054 2
1 165 . 1 1 A 22 22 PHE CA C 22 57.117 56.488 0.629 2
1 166 . 1 1 A 22 22 PHE HA H 22 4.827 4.949 -0.122 2
1 167 . 1 1 A 22 22 PHE CB C 22 44.378 43.469 0.909 2
1 179 . 1 1 A 22 22 PHE C C 22 174.912 175.686 -0.774 2
1 181 . 1 1 A 23 23 ASN CA C 23 54.423 55.202 -0.779 2
1 182 . 1 1 A 23 23 ASN HA H 23 5.038 4.859 0.179 2
1 183 . 1 1 A 23 23 ASN CB C 23 39.624 40.006 -0.382 2
1 188 . 1 1 A 23 23 ASN C C 23 174.719 175.273 -0.554 2
1 190 . 1 1 A 24 24 LEU N N 24 116.814 118.387 -1.573 2
1 191 . 1 1 A 24 24 LEU H H 24 7.520 8.119 -0.599 2
1 192 . 1 1 A 24 24 LEU CA C 24 53.161 53.442 -0.281 2
1 193 . 1 1 A 24 24 LEU HA H 24 4.774 4.626 0.148 2
1 194 . 1 1 A 24 24 LEU CB C 24 44.687 43.447 1.240 2
1 206 . 1 1 A 24 24 LEU C C 24 177.051 177.131 -0.080 2
1 208 . 1 1 A 25 25 ARG N N 25 127.581 123.692 3.889 2
1 209 . 1 1 A 25 25 ARG H H 25 8.517 8.757 -0.240 2
1 210 . 1 1 A 25 25 ARG CA C 25 59.593 58.968 0.625 2
1 211 . 1 1 A 25 25 ARG HA H 25 2.822 3.047 -0.225 2
1 212 . 1 1 A 25 25 ARG CB C 25 29.135 29.780 -0.645 2
1 218 . 1 1 A 25 25 ARG C C 25 178.315 177.830 0.485 2
1 222 . 1 1 A 26 26 LYS N N 26 115.815 117.949 -2.134 2
1 223 . 1 1 A 26 26 LYS H H 26 8.495 8.012 0.483 2
1 224 . 1 1 A 26 26 LYS CA C 26 59.134 58.842 0.292 2
1 225 . 1 1 A 26 26 LYS HA H 26 3.842 4.026 -0.184 2
1 226 . 1 1 A 26 26 LYS CB C 26 31.632 31.868 -0.236 2
1 234 . 1 1 A 26 26 LYS C C 26 178.251 178.597 -0.346 2
1 239 . 1 1 A 27 27 HIS N N 27 117.633 118.749 -1.116 2
1 240 . 1 1 A 27 27 HIS H H 27 6.643 8.084 -1.441 2
1 241 . 1 1 A 27 27 HIS CA C 27 56.893 59.129 -2.236 2
1 242 . 1 1 A 27 27 HIS HA H 27 4.395 4.271 0.124 2
1 243 . 1 1 A 27 27 HIS CB C 27 31.346 29.993 1.353 2
1 249 . 1 1 A 27 27 HIS C C 27 178.052 177.392 0.660 2
1 251 . 1 1 A 28 28 LEU N N 28 122.685 120.053 2.632 2
1 252 . 1 1 A 28 28 LEU H H 28 6.932 7.784 -0.852 2
1 253 . 1 1 A 28 28 LEU CA C 28 57.937 57.784 0.153 2
1 254 . 1 1 A 28 28 LEU HA H 28 3.236 3.144 0.092 2
1 255 . 1 1 A 28 28 LEU CB C 28 40.257 41.572 -1.315 2
1 267 . 1 1 A 28 28 LEU C C 28 177.710 178.350 -0.640 2
1 269 . 1 1 A 29 29 ILE N N 29 119.595 119.800 -0.205 2
1 270 . 1 1 A 29 29 ILE H H 29 8.045 7.722 0.323 2
1 271 . 1 1 A 29 29 ILE CA C 29 64.337 65.512 -1.175 2
1 272 . 1 1 A 29 29 ILE HA H 29 3.654 3.541 0.113 2
1 273 . 1 1 A 29 29 ILE CB C 29 37.272 37.711 -0.439 2
1 285 . 1 1 A 29 29 ILE C C 29 179.315 178.211 1.104 2
1 287 . 1 1 A 30 30 GLN N N 30 118.156 119.993 -1.837 2
1 288 . 1 1 A 30 30 GLN H H 30 7.507 7.927 -0.420 2
1 289 . 1 1 A 30 30 GLN CA C 30 58.708 58.797 -0.089 2
1 290 . 1 1 A 30 30 GLN HA H 30 3.924 3.918 0.005 2
1 291 . 1 1 A 30 30 GLN CB C 30 28.351 28.285 0.066 2
1 298 . 1 1 A 30 30 GLN C C 30 178.602 178.099 0.504 2
1 301 . 1 1 A 31 31 HIS N N 31 118.789 119.778 -0.989 2
1 302 . 1 1 A 31 31 HIS H H 31 7.691 8.010 -0.319 2
1 303 . 1 1 A 31 31 HIS CA C 31 59.054 59.731 -0.677 2
1 304 . 1 1 A 31 31 HIS HA H 31 4.208 4.181 0.027 2
1 305 . 1 1 A 31 31 HIS CB C 31 28.726 29.663 -0.937 2
1 311 . 1 1 A 31 31 HIS C C 31 177.945 176.933 1.012 2
1 313 . 1 1 A 32 32 GLN N N 32 119.822 117.707 2.115 2
1 314 . 1 1 A 32 32 GLN H H 32 8.680 8.307 0.373 2
1 315 . 1 1 A 32 32 GLN CA C 32 59.589 59.074 0.515 2
1 316 . 1 1 A 32 32 GLN HA H 32 3.710 3.816 -0.106 2
1 317 . 1 1 A 32 32 GLN CB C 32 27.916 28.333 -0.417 2
1 324 . 1 1 A 32 32 GLN C C 32 178.170 178.538 -0.368 2
1 327 . 1 1 A 33 33 LYS N N 33 118.224 119.471 -1.247 2
1 328 . 1 1 A 33 33 LYS H H 33 7.248 7.773 -0.525 2
1 329 . 1 1 A 33 33 LYS CA C 33 58.912 59.175 -0.264 2
1 330 . 1 1 A 33 33 LYS HA H 33 4.050 3.977 0.073 2
1 331 . 1 1 A 33 33 LYS CB C 33 32.160 32.194 -0.034 2
1 338 . 1 1 A 33 33 LYS C C 33 178.506 178.772 -0.266 2
1 343 . 1 1 A 34 34 THR N N 34 109.843 113.040 -3.197 2
1 344 . 1 1 A 34 34 THR H H 34 7.690 8.128 -0.438 2
1 345 . 1 1 A 34 34 THR CA C 34 63.891 64.976 -1.085 2
1 346 . 1 1 A 34 34 THR HA H 34 4.047 3.954 0.093 2
1 347 . 1 1 A 34 34 THR CB C 34 69.205 68.246 0.959 2
1 353 . 1 1 A 34 34 THR C C 34 175.352 176.345 -0.993 2
1 354 . 1 1 A 35 35 HIS N N 35 117.905 118.421 -0.516 2
1 355 . 1 1 A 35 35 HIS H H 35 6.998 7.678 -0.680 2
1 356 . 1 1 A 35 35 HIS CA C 35 55.067 57.805 -2.738 2
1 357 . 1 1 A 35 35 HIS HA H 35 4.763 4.414 0.349 2
1 358 . 1 1 A 35 35 HIS CB C 35 28.672 29.800 -1.128 2
1 364 . 1 1 A 35 35 HIS C C 35 174.592 175.590 -0.998 2
1 366 . 1 1 A 36 36 ALA N N 36 123.690 121.416 2.274 2
1 367 . 1 1 A 36 36 ALA H H 36 7.542 7.641 -0.099 2
1 368 . 1 1 A 36 36 ALA CA C 36 52.507 52.394 0.113 2
1 369 . 1 1 A 36 36 ALA HA H 36 4.247 4.211 0.036 2
1 370 . 1 1 A 36 36 ALA CB C 36 19.368 19.080 0.288 2
1 374 . 1 1 A 36 36 ALA C C 36 177.263 177.098 0.165 2
1 375 . 1 1 A 37 37 ALA N N 37 123.646 122.978 0.668 2
1 376 . 1 1 A 37 37 ALA H H 37 8.194 8.227 -0.033 2
1 377 . 1 1 A 37 37 ALA CA C 37 52.517 52.214 0.303 2
1 378 . 1 1 A 37 37 ALA HA H 37 4.244 4.457 -0.213 2
1 379 . 1 1 A 37 37 ALA CB C 37 19.181 19.959 -0.778 2
1 383 . 1 1 A 37 37 ALA C C 37 177.787 176.866 0.921 2
1 384 . 1 1 A 38 38 LYS N N 38 120.872 120.954 -0.083 2
1 385 . 1 1 A 38 38 LYS H H 38 8.304 8.462 -0.158 2
1 386 . 1 1 A 38 38 LYS CA C 38 56.161 56.340 -0.179 2
1 387 . 1 1 A 38 38 LYS HA H 38 4.304 4.496 -0.192 2
1 388 . 1 1 A 38 38 LYS CB C 38 33.014 33.316 -0.302 2
1 396 . 1 1 A 38 38 LYS C C 38 176.530 176.160 0.370 2
1 401 . 1 1 A 40 40 GLY CA C 40 44.610 45.562 -0.952 2
1 402 . 1 1 A 40 40 GLY HA3 H 40 4.091 4.110 -0.019 2
1 403 . 1 1 A 40 40 GLY HA2 H 40 4.091 4.109 -0.018 2
1 404 . 1 1 A 41 41 PRO CA C 41 63.260 63.043 0.217 2
1 405 . 1 1 A 41 41 PRO HA H 41 4.424 4.543 -0.119 2
1 406 . 1 1 A 41 41 PRO CB C 41 32.165 32.118 0.047 2
1 415 . 1 1 A 43 43 SER CA C 43 58.325 58.680 -0.355 2
1 416 . 1 1 A 43 43 SER HA H 43 4.444 4.604 -0.160 2
1 417 . 1 1 A 43 43 SER CB C 43 64.067 64.302 -0.235 2
1 419 . 1 1 A 43 43 SER C C 43 173.889 174.467 -0.578 2
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