data_10173_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10173
_Entry.PDB_ID 2ENE
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.404 44.283 1.121 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.019 4.248 -0.229 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.534 171.861 2.673 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 4.019 4.243 -0.224 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.887 117.896 -5.009 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.161 8.800 -0.639 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.885 59.756 2.129 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.366 5.025 -0.659 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.813 71.290 -1.477 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.242 172.885 2.357 1
1 16 . 1 1 1 A 9 9 GLY N N 9 110.959 115.145 -4.186 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.457 8.791 -0.334 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.259 43.961 1.298 1
1 19 . 1 1 1 A 9 9 GLY HA3 H 9 3.931 4.300 -0.369 1
1 20 . 1 1 1 A 9 9 GLY C C 9 174.041 174.950 -0.909 1
1 21 . 1 1 1 A 9 9 GLY HA2 H 9 3.931 4.293 -0.362 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.453 118.137 2.316 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.222 8.648 -0.426 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.686 56.724 -0.038 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.229 4.330 -0.101 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.533 30.093 0.440 1
1 30 . 1 1 1 A 10 10 GLU C C 10 176.213 175.388 0.825 1
1 33 . 1 1 1 A 11 11 LYS N N 11 122.472 119.225 3.247 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.251 7.456 0.795 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 53.888 52.889 0.999 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.524 4.809 -0.285 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 32.818 34.151 -1.333 1
1 45 . 1 1 1 A 11 11 LYS C C 11 173.839 176.258 -2.419 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 62.929 64.167 -1.238 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.338 4.372 -0.034 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.388 31.411 0.977 1
1 58 . 1 1 1 A 12 12 PRO C C 12 176.346 175.779 0.567 1
1 62 . 1 1 1 A 13 13 TYR N N 13 119.836 118.610 1.226 1
1 63 . 1 1 1 A 13 13 TYR H H 13 8.099 7.630 0.469 1
1 64 . 1 1 1 A 13 13 TYR CA C 13 57.638 56.527 1.111 1
1 65 . 1 1 1 A 13 13 TYR HA H 13 4.565 5.234 -0.669 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.246 40.172 -1.926 1
1 76 . 1 1 1 A 13 13 TYR C C 13 174.063 174.287 -0.224 1
1 78 . 1 1 1 A 14 14 LYS N N 14 125.222 124.371 0.851 1
1 79 . 1 1 1 A 14 14 LYS H H 14 8.437 8.977 -0.540 1
1 80 . 1 1 1 A 14 14 LYS CA C 14 54.846 55.078 -0.232 1
1 81 . 1 1 1 A 14 14 LYS HA H 14 5.044 5.155 -0.111 1
1 82 . 1 1 1 A 14 14 LYS CB C 14 36.065 36.283 -0.218 1
1 90 . 1 1 1 A 14 14 LYS C C 14 174.999 174.704 0.295 1
1 95 . 1 1 1 A 15 15 CYS N N 15 127.756 124.815 2.941 1
1 96 . 1 1 1 A 15 15 CYS H H 15 9.327 9.497 -0.170 1
1 97 . 1 1 1 A 15 15 CYS CA C 15 59.366 59.832 -0.466 1
1 98 . 1 1 1 A 15 15 CYS HA H 15 4.576 4.676 -0.100 1
1 99 . 1 1 1 A 15 15 CYS CB C 15 29.545 28.560 0.985 1
1 101 . 1 1 1 A 15 15 CYS C C 15 176.864 174.873 1.991 1
1 103 . 1 1 1 A 16 16 ASN N N 16 130.374 124.687 5.687 1
1 104 . 1 1 1 A 16 16 ASN H H 16 9.432 9.007 0.425 1
1 105 . 1 1 1 A 16 16 ASN CA C 16 55.639 54.174 1.465 1
1 106 . 1 1 1 A 16 16 ASN HA H 16 4.517 4.873 -0.356 1
1 107 . 1 1 1 A 16 16 ASN CB C 16 38.395 39.208 -0.813 1
1 112 . 1 1 1 A 16 16 ASN C C 16 175.480 177.281 -1.801 1
1 114 . 1 1 1 A 17 17 GLU N N 17 120.722 120.922 -0.200 1
1 115 . 1 1 1 A 17 17 GLU H H 17 8.665 8.267 0.398 1
1 116 . 1 1 1 A 17 17 GLU CA C 17 58.443 58.750 -0.307 1
1 117 . 1 1 1 A 17 17 GLU HA H 17 4.213 3.922 0.291 1
1 118 . 1 1 1 A 17 17 GLU CB C 17 29.431 28.574 0.857 1
1 122 . 1 1 1 A 17 17 GLU C C 17 177.092 178.015 -0.923 1
1 125 . 1 1 1 A 18 18 CYS N N 18 114.544 114.810 -0.266 1
1 126 . 1 1 1 A 18 18 CYS H H 18 7.925 7.952 -0.027 1
1 127 . 1 1 1 A 18 18 CYS CA C 18 58.372 59.698 -1.326 1
1 128 . 1 1 1 A 18 18 CYS HA H 18 5.179 4.567 0.612 1
1 129 . 1 1 1 A 18 18 CYS CB C 18 32.404 29.558 2.846 1
1 131 . 1 1 1 A 18 18 CYS C C 18 176.255 175.502 0.753 1
1 133 . 1 1 1 A 19 19 GLY N N 19 113.579 110.098 3.481 1
1 134 . 1 1 1 A 19 19 GLY H H 19 8.223 8.138 0.085 1
1 135 . 1 1 1 A 19 19 GLY CA C 19 46.317 45.154 1.163 1
1 136 . 1 1 1 A 19 19 GLY HA3 H 19 4.247 4.050 0.197 1
1 137 . 1 1 1 A 19 19 GLY C C 19 173.572 174.569 -0.997 1
1 138 . 1 1 1 A 19 19 GLY HA2 H 19 3.732 4.034 -0.302 1
1 139 . 1 1 1 A 20 20 LYS N N 20 122.482 121.162 1.320 1
1 140 . 1 1 1 A 20 20 LYS H H 20 7.873 7.514 0.359 1
1 141 . 1 1 1 A 20 20 LYS CA C 20 58.246 57.099 1.147 1
1 142 . 1 1 1 A 20 20 LYS HA H 20 4.002 4.173 -0.171 1
1 143 . 1 1 1 A 20 20 LYS CB C 20 33.912 33.630 0.282 1
1 151 . 1 1 1 A 20 20 LYS C C 20 174.324 175.178 -0.854 1
1 156 . 1 1 1 A 21 21 VAL N N 21 116.394 121.452 -5.058 1
1 157 . 1 1 1 A 21 21 VAL H H 21 7.573 8.133 -0.560 1
1 158 . 1 1 1 A 21 21 VAL CA C 21 60.262 61.006 -0.744 1
1 159 . 1 1 1 A 21 21 VAL HA H 21 4.816 4.946 -0.130 1
1 160 . 1 1 1 A 21 21 VAL CB C 21 33.936 35.089 -1.153 1
1 170 . 1 1 1 A 21 21 VAL C C 21 175.317 174.686 0.631 1
1 171 . 1 1 1 A 22 22 PHE N N 22 120.431 125.295 -4.864 1
1 172 . 1 1 1 A 22 22 PHE H H 22 8.792 9.239 -0.447 1
1 173 . 1 1 1 A 22 22 PHE CA C 22 56.890 56.690 0.200 1
1 174 . 1 1 1 A 22 22 PHE HA H 22 4.824 5.036 -0.212 1
1 175 . 1 1 1 A 22 22 PHE CB C 22 44.119 43.807 0.312 1
1 187 . 1 1 1 A 22 22 PHE C C 22 175.683 175.920 -0.237 1
1 189 . 1 1 1 A 23 23 ARG N N 23 119.340 120.647 -1.307 1
1 190 . 1 1 1 A 23 23 ARG H H 23 9.329 9.192 0.137 1
1 191 . 1 1 1 A 23 23 ARG CA C 23 57.346 57.720 -0.374 1
1 192 . 1 1 1 A 23 23 ARG HA H 23 4.466 4.604 -0.138 1
1 193 . 1 1 1 A 23 23 ARG CB C 23 31.371 31.379 -0.008 1
1 199 . 1 1 1 A 23 23 ARG C C 23 175.065 176.114 -1.049 1
1 203 . 1 1 1 A 24 24 HIS N N 24 113.216 117.705 -4.489 1
1 204 . 1 1 1 A 24 24 HIS H H 24 7.128 8.361 -1.233 1
1 205 . 1 1 1 A 24 24 HIS CA C 24 55.437 54.865 0.572 1
1 206 . 1 1 1 A 24 24 HIS HA H 24 4.657 4.500 0.157 1
1 207 . 1 1 1 A 24 24 HIS CB C 24 34.517 31.550 2.967 1
1 213 . 1 1 1 A 24 24 HIS C C 24 175.558 175.106 0.452 1
1 215 . 1 1 1 A 25 25 ASN CA C 25 56.177 56.258 -0.081 1
1 216 . 1 1 1 A 25 25 ASN HA H 25 3.662 3.878 -0.216 1
1 217 . 1 1 1 A 25 25 ASN CB C 25 38.311 38.409 -0.098 1
1 223 . 1 1 1 A 26 26 SER CA C 26 61.298 62.116 -0.818 1
1 224 . 1 1 1 A 26 26 SER HA H 26 4.085 3.971 0.114 1
1 225 . 1 1 1 A 26 26 SER CB C 26 61.728 62.561 -0.833 1
1 227 . 1 1 1 A 26 26 SER C C 26 177.140 176.117 1.023 1
1 229 . 1 1 1 A 27 27 TYR N N 27 121.463 119.672 1.791 1
1 230 . 1 1 1 A 27 27 TYR H H 27 6.951 7.545 -0.594 1
1 231 . 1 1 1 A 27 27 TYR CA C 27 58.633 61.320 -2.687 1
1 232 . 1 1 1 A 27 27 TYR HA H 27 4.342 4.257 0.085 1
1 233 . 1 1 1 A 27 27 TYR CB C 27 37.464 37.764 -0.300 1
1 243 . 1 1 1 A 27 27 TYR C C 27 178.472 178.200 0.272 1
1 245 . 1 1 1 A 28 28 LEU N N 28 122.153 122.334 -0.181 1
1 246 . 1 1 1 A 28 28 LEU H H 28 7.064 8.234 -1.170 1
1 247 . 1 1 1 A 28 28 LEU CA C 28 58.022 57.583 0.439 1
1 248 . 1 1 1 A 28 28 LEU HA H 28 3.260 3.213 0.047 1
1 249 . 1 1 1 A 28 28 LEU CB C 28 40.390 41.493 -1.103 1
1 261 . 1 1 1 A 28 28 LEU C C 28 177.619 178.145 -0.526 1
1 263 . 1 1 1 A 29 29 SER N N 29 114.652 114.557 0.095 1
1 264 . 1 1 1 A 29 29 SER H H 29 8.415 8.376 0.039 1
1 265 . 1 1 1 A 29 29 SER CA C 29 61.724 61.575 0.149 1
1 266 . 1 1 1 A 29 29 SER HA H 29 4.222 3.985 0.237 1
1 267 . 1 1 1 A 29 29 SER CB C 29 62.466 62.887 -0.421 1
1 269 . 1 1 1 A 29 29 SER C C 29 177.182 176.550 0.632 1
1 271 . 1 1 1 A 30 30 ARG N N 30 119.728 119.213 0.515 1
1 272 . 1 1 1 A 30 30 ARG H H 30 7.390 8.022 -0.632 1
1 273 . 1 1 1 A 30 30 ARG CA C 30 59.144 58.781 0.363 1
1 274 . 1 1 1 A 30 30 ARG HA H 30 3.997 4.071 -0.074 1
1 275 . 1 1 1 A 30 30 ARG CB C 30 30.280 30.138 0.142 1
1 281 . 1 1 1 A 30 30 ARG C C 30 178.647 178.400 0.247 1
1 285 . 1 1 1 A 31 31 HIS N N 31 119.367 120.348 -0.981 1
1 286 . 1 1 1 A 31 31 HIS H H 31 7.628 7.833 -0.205 1
1 287 . 1 1 1 A 31 31 HIS CA C 31 59.077 59.699 -0.622 1
1 288 . 1 1 1 A 31 31 HIS HA H 31 4.224 4.199 0.025 1
1 289 . 1 1 1 A 31 31 HIS CB C 31 28.526 29.915 -1.389 1
1 295 . 1 1 1 A 31 31 HIS C C 31 176.140 176.765 -0.625 1
1 297 . 1 1 1 A 32 32 GLN N N 32 115.298 117.257 -1.959 1
1 298 . 1 1 1 A 32 32 GLN H H 32 8.337 8.573 -0.236 1
1 299 . 1 1 1 A 32 32 GLN CA C 32 59.342 59.156 0.186 1
1 300 . 1 1 1 A 32 32 GLN HA H 32 3.709 3.718 -0.009 1
1 301 . 1 1 1 A 32 32 GLN CB C 32 28.352 28.256 0.096 1
1 310 . 1 1 1 A 33 33 ARG N N 33 117.159 120.021 -2.862 1
1 311 . 1 1 1 A 33 33 ARG H H 33 7.099 8.078 -0.979 1
1 312 . 1 1 1 A 33 33 ARG CA C 33 58.300 59.038 -0.738 1
1 313 . 1 1 1 A 33 33 ARG HA H 33 4.144 4.050 0.094 1
1 314 . 1 1 1 A 33 33 ARG CB C 33 30.024 29.864 0.160 1
1 320 . 1 1 1 A 33 33 ARG C C 33 178.505 178.761 -0.256 1
1 324 . 1 1 1 A 34 34 ILE N N 34 116.468 117.965 -1.497 1
1 325 . 1 1 1 A 34 34 ILE H H 34 7.818 7.889 -0.071 1
1 326 . 1 1 1 A 34 34 ILE CA C 34 63.072 63.713 -0.641 1
1 327 . 1 1 1 A 34 34 ILE HA H 34 3.975 3.729 0.246 1
1 328 . 1 1 1 A 34 34 ILE CB C 34 37.673 37.227 0.446 1
1 340 . 1 1 1 A 34 34 ILE C C 34 177.406 177.846 -0.440 1
1 342 . 1 1 1 A 35 35 HIS N N 35 117.692 119.744 -2.052 1
1 343 . 1 1 1 A 35 35 HIS H H 35 7.220 7.798 -0.578 1
1 344 . 1 1 1 A 35 35 HIS CA C 35 55.298 58.948 -3.650 1
1 345 . 1 1 1 A 35 35 HIS HA H 35 4.858 4.460 0.398 1
1 346 . 1 1 1 A 35 35 HIS CB C 35 28.597 30.350 -1.753 1
1 352 . 1 1 1 A 35 35 HIS C C 35 175.834 175.623 0.211 1
1 354 . 1 1 1 A 36 36 THR N N 36 111.637 110.860 0.777 1
1 355 . 1 1 1 A 36 36 THR H H 36 7.791 7.494 0.297 1
1 356 . 1 1 1 A 36 36 THR CA C 36 62.508 62.304 0.204 1
1 357 . 1 1 1 A 36 36 THR HA H 36 4.358 4.114 0.244 1
1 358 . 1 1 1 A 36 36 THR CB C 36 69.805 69.790 0.015 1
1 364 . 1 1 1 A 36 36 THR C C 36 175.472 174.808 0.664 1
1 365 . 1 1 1 A 37 37 GLY N N 37 110.597 110.104 0.493 1
1 366 . 1 1 1 A 37 37 GLY H H 37 8.215 8.803 -0.588 1
1 367 . 1 1 1 A 37 37 GLY CA C 37 45.345 45.014 0.331 1
1 368 . 1 1 1 A 37 37 GLY HA3 H 37 3.941 4.146 -0.205 1
1 369 . 1 1 1 A 37 37 GLY C C 37 174.037 173.045 0.992 1
1 370 . 1 1 1 A 37 37 GLY HA2 H 37 4.036 4.146 -0.110 1
1 371 . 1 1 1 A 38 38 GLU N N 38 120.595 120.127 0.468 1
1 372 . 1 1 1 A 38 38 GLU H H 38 8.082 8.370 -0.288 1
1 373 . 1 1 1 A 38 38 GLU CA C 38 56.438 54.969 1.469 1
1 374 . 1 1 1 A 38 38 GLU HA H 38 4.244 4.852 -0.608 1
1 375 . 1 1 1 A 38 38 GLU CB C 38 30.533 31.833 -1.300 1
1 379 . 1 1 1 A 38 38 GLU C C 38 176.198 174.976 1.222 1
1 382 . 1 1 1 A 39 39 LYS N N 39 123.862 118.974 4.888 1
1 383 . 1 1 1 A 39 39 LYS H H 39 8.413 8.327 0.086 1
1 384 . 1 1 1 A 39 39 LYS CA C 39 54.115 55.307 -1.192 1
1 385 . 1 1 1 A 39 39 LYS HA H 39 4.602 4.291 0.311 1
1 386 . 1 1 1 A 39 39 LYS CB C 39 32.503 32.372 0.131 1
1 394 . 1 1 1 A 39 39 LYS C C 39 174.491 175.899 -1.408 1
1 399 . 1 1 1 A 40 40 PRO CA C 40 63.230 62.847 0.383 1
1 400 . 1 1 1 A 40 40 PRO HA H 40 4.457 4.578 -0.121 1
1 401 . 1 1 1 A 40 40 PRO CB C 40 32.215 32.018 0.197 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.404 44.700 0.704 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.019 4.103 -0.084 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.534 173.969 0.565 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 4.019 4.100 -0.081 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.887 112.835 0.052 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.161 8.559 -0.398 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.885 63.014 -1.129 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.366 4.030 0.336 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.813 67.470 2.343 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.242 174.477 0.765 1
1 16 . 2 1 1 A 9 9 GLY N N 9 110.959 106.816 4.143 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.457 8.461 -0.004 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.259 44.581 0.678 1
1 19 . 2 1 1 A 9 9 GLY HA3 H 9 3.931 4.012 -0.081 1
1 20 . 2 1 1 A 9 9 GLY C C 9 174.041 172.531 1.510 1
1 21 . 2 1 1 A 9 9 GLY HA2 H 9 3.931 4.008 -0.077 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.453 120.736 -0.283 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.222 8.642 -0.420 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.686 55.090 1.596 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.229 4.757 -0.528 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.533 30.153 0.380 1
1 30 . 2 1 1 A 10 10 GLU C C 10 176.213 175.699 0.514 1
1 33 . 2 1 1 A 11 11 LYS N N 11 122.472 126.992 -4.520 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.251 8.246 0.005 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 53.888 55.314 -1.426 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.524 4.308 0.216 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 32.818 31.938 0.880 1
1 45 . 2 1 1 A 11 11 LYS C C 11 173.839 176.589 -2.750 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 62.929 64.255 -1.326 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.338 4.375 -0.037 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.388 31.335 1.053 1
1 58 . 2 1 1 A 12 12 PRO C C 12 176.346 175.695 0.651 1
1 62 . 2 1 1 A 13 13 TYR N N 13 119.836 119.008 0.828 1
1 63 . 2 1 1 A 13 13 TYR H H 13 8.099 7.616 0.483 1
1 64 . 2 1 1 A 13 13 TYR CA C 13 57.638 56.656 0.982 1
1 65 . 2 1 1 A 13 13 TYR HA H 13 4.565 5.060 -0.495 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.246 39.689 -1.443 1
1 76 . 2 1 1 A 13 13 TYR C C 13 174.063 174.314 -0.251 1
1 78 . 2 1 1 A 14 14 LYS N N 14 125.222 125.090 0.132 1
1 79 . 2 1 1 A 14 14 LYS H H 14 8.437 8.935 -0.498 1
1 80 . 2 1 1 A 14 14 LYS CA C 14 54.846 54.673 0.173 1
1 81 . 2 1 1 A 14 14 LYS HA H 14 5.044 5.174 -0.130 1
1 82 . 2 1 1 A 14 14 LYS CB C 14 36.065 36.610 -0.545 1
1 90 . 2 1 1 A 14 14 LYS C C 14 174.999 175.479 -0.480 1
1 95 . 2 1 1 A 15 15 CYS N N 15 127.756 124.963 2.793 1
1 96 . 2 1 1 A 15 15 CYS H H 15 9.327 9.441 -0.114 1
1 97 . 2 1 1 A 15 15 CYS CA C 15 59.366 59.947 -0.581 1
1 98 . 2 1 1 A 15 15 CYS HA H 15 4.576 4.579 -0.003 1
1 99 . 2 1 1 A 15 15 CYS CB C 15 29.545 28.616 0.929 1
1 101 . 2 1 1 A 15 15 CYS C C 15 176.864 175.472 1.392 1
1 103 . 2 1 1 A 16 16 ASN N N 16 130.374 125.910 4.464 1
1 104 . 2 1 1 A 16 16 ASN H H 16 9.432 8.779 0.653 1
1 105 . 2 1 1 A 16 16 ASN CA C 16 55.639 53.816 1.823 1
1 106 . 2 1 1 A 16 16 ASN HA H 16 4.517 4.876 -0.359 1
1 107 . 2 1 1 A 16 16 ASN CB C 16 38.395 38.473 -0.078 1
1 112 . 2 1 1 A 16 16 ASN C C 16 175.480 175.739 -0.259 1
1 114 . 2 1 1 A 17 17 GLU N N 17 120.722 117.509 3.213 1
1 115 . 2 1 1 A 17 17 GLU H H 17 8.665 7.977 0.688 1
1 116 . 2 1 1 A 17 17 GLU CA C 17 58.443 57.090 1.353 1
1 117 . 2 1 1 A 17 17 GLU HA H 17 4.213 4.281 -0.068 1
1 118 . 2 1 1 A 17 17 GLU CB C 17 29.431 29.967 -0.536 1
1 122 . 2 1 1 A 17 17 GLU C C 17 177.092 177.774 -0.682 1
1 125 . 2 1 1 A 18 18 CYS N N 18 114.544 115.014 -0.470 1
1 126 . 2 1 1 A 18 18 CYS H H 18 7.925 7.990 -0.065 1
1 127 . 2 1 1 A 18 18 CYS CA C 18 58.372 59.683 -1.311 1
1 128 . 2 1 1 A 18 18 CYS HA H 18 5.179 4.785 0.394 1
1 129 . 2 1 1 A 18 18 CYS CB C 18 32.404 30.016 2.388 1
1 131 . 2 1 1 A 18 18 CYS C C 18 176.255 175.717 0.538 1
1 133 . 2 1 1 A 19 19 GLY N N 19 113.579 109.830 3.749 1
1 134 . 2 1 1 A 19 19 GLY H H 19 8.223 7.673 0.550 1
1 135 . 2 1 1 A 19 19 GLY CA C 19 46.317 44.926 1.391 1
1 136 . 2 1 1 A 19 19 GLY HA3 H 19 4.247 4.096 0.151 1
1 137 . 2 1 1 A 19 19 GLY C C 19 173.572 174.344 -0.772 1
1 138 . 2 1 1 A 19 19 GLY HA2 H 19 3.732 4.092 -0.360 1
1 139 . 2 1 1 A 20 20 LYS N N 20 122.482 120.162 2.320 1
1 140 . 2 1 1 A 20 20 LYS H H 20 7.873 7.352 0.521 1
1 141 . 2 1 1 A 20 20 LYS CA C 20 58.246 55.869 2.377 1
1 142 . 2 1 1 A 20 20 LYS HA H 20 4.002 4.409 -0.407 1
1 143 . 2 1 1 A 20 20 LYS CB C 20 33.912 34.134 -0.222 1
1 151 . 2 1 1 A 20 20 LYS C C 20 174.324 175.351 -1.027 1
1 156 . 2 1 1 A 21 21 VAL N N 21 116.394 119.608 -3.214 1
1 157 . 2 1 1 A 21 21 VAL H H 21 7.573 8.029 -0.456 1
1 158 . 2 1 1 A 21 21 VAL CA C 21 60.262 60.512 -0.250 1
1 159 . 2 1 1 A 21 21 VAL HA H 21 4.816 4.887 -0.071 1
1 160 . 2 1 1 A 21 21 VAL CB C 21 33.936 35.611 -1.675 1
1 170 . 2 1 1 A 21 21 VAL C C 21 175.317 174.418 0.899 1
1 171 . 2 1 1 A 22 22 PHE N N 22 120.431 124.284 -3.853 1
1 172 . 2 1 1 A 22 22 PHE H H 22 8.792 8.944 -0.152 1
1 173 . 2 1 1 A 22 22 PHE CA C 22 56.890 56.419 0.471 1
1 174 . 2 1 1 A 22 22 PHE HA H 22 4.824 4.961 -0.137 1
1 175 . 2 1 1 A 22 22 PHE CB C 22 44.119 43.766 0.353 1
1 187 . 2 1 1 A 22 22 PHE C C 22 175.683 175.613 0.070 1
1 189 . 2 1 1 A 23 23 ARG N N 23 119.340 123.157 -3.817 1
1 190 . 2 1 1 A 23 23 ARG H H 23 9.329 8.978 0.351 1
1 191 . 2 1 1 A 23 23 ARG CA C 23 57.346 58.002 -0.656 1
1 192 . 2 1 1 A 23 23 ARG HA H 23 4.466 4.426 0.040 1
1 193 . 2 1 1 A 23 23 ARG CB C 23 31.371 31.257 0.114 1
1 199 . 2 1 1 A 23 23 ARG C C 23 175.065 175.802 -0.737 1
1 203 . 2 1 1 A 24 24 HIS N N 24 113.216 117.535 -4.319 1
1 204 . 2 1 1 A 24 24 HIS H H 24 7.128 8.238 -1.110 1
1 205 . 2 1 1 A 24 24 HIS CA C 24 55.437 54.805 0.632 1
1 206 . 2 1 1 A 24 24 HIS HA H 24 4.657 4.628 0.029 1
1 207 . 2 1 1 A 24 24 HIS CB C 24 34.517 31.235 3.282 1
1 213 . 2 1 1 A 24 24 HIS C C 24 175.558 174.941 0.617 1
1 215 . 2 1 1 A 25 25 ASN CA C 25 56.177 56.265 -0.088 1
1 216 . 2 1 1 A 25 25 ASN HA H 25 3.662 3.888 -0.226 1
1 217 . 2 1 1 A 25 25 ASN CB C 25 38.311 38.370 -0.059 1
1 223 . 2 1 1 A 26 26 SER CA C 26 61.298 61.084 0.214 1
1 224 . 2 1 1 A 26 26 SER HA H 26 4.085 4.000 0.085 1
1 225 . 2 1 1 A 26 26 SER CB C 26 61.728 63.073 -1.345 1
1 227 . 2 1 1 A 26 26 SER C C 26 177.140 176.384 0.756 1
1 229 . 2 1 1 A 27 27 TYR N N 27 121.463 119.087 2.376 1
1 230 . 2 1 1 A 27 27 TYR H H 27 6.951 7.076 -0.125 1
1 231 . 2 1 1 A 27 27 TYR CA C 27 58.633 61.162 -2.529 1
1 232 . 2 1 1 A 27 27 TYR HA H 27 4.342 4.272 0.070 1
1 233 . 2 1 1 A 27 27 TYR CB C 27 37.464 38.019 -0.555 1
1 243 . 2 1 1 A 27 27 TYR C C 27 178.472 178.005 0.467 1
1 245 . 2 1 1 A 28 28 LEU N N 28 122.153 122.292 -0.139 1
1 246 . 2 1 1 A 28 28 LEU H H 28 7.064 8.005 -0.941 1
1 247 . 2 1 1 A 28 28 LEU CA C 28 58.022 57.580 0.442 1
1 248 . 2 1 1 A 28 28 LEU HA H 28 3.260 3.103 0.157 1
1 249 . 2 1 1 A 28 28 LEU CB C 28 40.390 41.500 -1.110 1
1 261 . 2 1 1 A 28 28 LEU C C 28 177.619 178.238 -0.619 1
1 263 . 2 1 1 A 29 29 SER N N 29 114.652 114.600 0.052 1
1 264 . 2 1 1 A 29 29 SER H H 29 8.415 8.390 0.025 1
1 265 . 2 1 1 A 29 29 SER CA C 29 61.724 61.605 0.119 1
1 266 . 2 1 1 A 29 29 SER HA H 29 4.222 4.020 0.202 1
1 267 . 2 1 1 A 29 29 SER CB C 29 62.466 63.029 -0.563 1
1 269 . 2 1 1 A 29 29 SER C C 29 177.182 176.767 0.415 1
1 271 . 2 1 1 A 30 30 ARG N N 30 119.728 119.205 0.523 1
1 272 . 2 1 1 A 30 30 ARG H H 30 7.390 7.933 -0.543 1
1 273 . 2 1 1 A 30 30 ARG CA C 30 59.144 58.579 0.565 1
1 274 . 2 1 1 A 30 30 ARG HA H 30 3.997 4.120 -0.123 1
1 275 . 2 1 1 A 30 30 ARG CB C 30 30.280 29.822 0.458 1
1 281 . 2 1 1 A 30 30 ARG C C 30 178.647 178.404 0.243 1
1 285 . 2 1 1 A 31 31 HIS N N 31 119.367 120.260 -0.893 1
1 286 . 2 1 1 A 31 31 HIS H H 31 7.628 7.887 -0.259 1
1 287 . 2 1 1 A 31 31 HIS CA C 31 59.077 59.183 -0.106 1
1 288 . 2 1 1 A 31 31 HIS HA H 31 4.224 4.220 0.004 1
1 289 . 2 1 1 A 31 31 HIS CB C 31 28.526 30.035 -1.509 1
1 295 . 2 1 1 A 31 31 HIS C C 31 176.140 177.634 -1.494 1
1 297 . 2 1 1 A 32 32 GLN N N 32 115.298 118.074 -2.776 1
1 298 . 2 1 1 A 32 32 GLN H H 32 8.337 8.272 0.065 1
1 299 . 2 1 1 A 32 32 GLN CA C 32 59.342 59.107 0.235 1
1 300 . 2 1 1 A 32 32 GLN HA H 32 3.709 4.000 -0.291 1
1 301 . 2 1 1 A 32 32 GLN CB C 32 28.352 28.253 0.099 1
1 310 . 2 1 1 A 33 33 ARG N N 33 117.159 119.994 -2.835 1
1 311 . 2 1 1 A 33 33 ARG H H 33 7.099 8.250 -1.151 1
1 312 . 2 1 1 A 33 33 ARG CA C 33 58.300 59.044 -0.744 1
1 313 . 2 1 1 A 33 33 ARG HA H 33 4.144 3.972 0.172 1
1 314 . 2 1 1 A 33 33 ARG CB C 33 30.024 29.878 0.146 1
1 320 . 2 1 1 A 33 33 ARG C C 33 178.505 178.699 -0.194 1
1 324 . 2 1 1 A 34 34 ILE N N 34 116.468 117.186 -0.718 1
1 325 . 2 1 1 A 34 34 ILE H H 34 7.818 7.524 0.294 1
1 326 . 2 1 1 A 34 34 ILE CA C 34 63.072 63.736 -0.664 1
1 327 . 2 1 1 A 34 34 ILE HA H 34 3.975 3.727 0.248 1
1 328 . 2 1 1 A 34 34 ILE CB C 34 37.673 37.148 0.525 1
1 340 . 2 1 1 A 34 34 ILE C C 34 177.406 177.871 -0.465 1
1 342 . 2 1 1 A 35 35 HIS N N 35 117.692 121.146 -3.454 1
1 343 . 2 1 1 A 35 35 HIS H H 35 7.220 7.516 -0.296 1
1 344 . 2 1 1 A 35 35 HIS CA C 35 55.298 59.157 -3.859 1
1 345 . 2 1 1 A 35 35 HIS HA H 35 4.858 4.460 0.398 1
1 346 . 2 1 1 A 35 35 HIS CB C 35 28.597 29.989 -1.392 1
1 352 . 2 1 1 A 35 35 HIS C C 35 175.834 177.799 -1.965 1
1 354 . 2 1 1 A 36 36 THR N N 36 111.637 113.549 -1.912 1
1 355 . 2 1 1 A 36 36 THR H H 36 7.791 8.159 -0.368 1
1 356 . 2 1 1 A 36 36 THR CA C 36 62.508 65.506 -2.998 1
1 357 . 2 1 1 A 36 36 THR HA H 36 4.358 3.896 0.462 1
1 358 . 2 1 1 A 36 36 THR CB C 36 69.805 69.326 0.479 1
1 364 . 2 1 1 A 36 36 THR C C 36 175.472 174.816 0.656 1
1 365 . 2 1 1 A 37 37 GLY N N 37 110.597 108.383 2.214 1
1 366 . 2 1 1 A 37 37 GLY H H 37 8.215 8.197 0.018 1
1 367 . 2 1 1 A 37 37 GLY CA C 37 45.345 46.707 -1.362 1
1 368 . 2 1 1 A 37 37 GLY HA3 H 37 3.941 3.923 0.018 1
1 369 . 2 1 1 A 37 37 GLY C C 37 174.037 174.517 -0.480 1
1 370 . 2 1 1 A 37 37 GLY HA2 H 37 4.036 3.916 0.120 1
1 371 . 2 1 1 A 38 38 GLU N N 38 120.595 122.963 -2.368 1
1 372 . 2 1 1 A 38 38 GLU H H 38 8.082 8.707 -0.625 1
1 373 . 2 1 1 A 38 38 GLU CA C 38 56.438 56.214 0.224 1
1 374 . 2 1 1 A 38 38 GLU HA H 38 4.244 4.532 -0.288 1
1 375 . 2 1 1 A 38 38 GLU CB C 38 30.533 30.351 0.182 1
1 379 . 2 1 1 A 38 38 GLU C C 38 176.198 176.085 0.113 1
1 382 . 2 1 1 A 39 39 LYS N N 39 123.862 123.951 -0.089 1
1 383 . 2 1 1 A 39 39 LYS H H 39 8.413 8.269 0.144 1
1 384 . 2 1 1 A 39 39 LYS CA C 39 54.115 53.414 0.701 1
1 385 . 2 1 1 A 39 39 LYS HA H 39 4.602 4.966 -0.364 1
1 386 . 2 1 1 A 39 39 LYS CB C 39 32.503 34.444 -1.941 1
1 394 . 2 1 1 A 39 39 LYS C C 39 174.491 175.875 -1.384 1
1 399 . 2 1 1 A 40 40 PRO CA C 40 63.230 64.044 -0.814 1
1 400 . 2 1 1 A 40 40 PRO HA H 40 4.457 4.439 0.018 1
1 401 . 2 1 1 A 40 40 PRO CB C 40 32.215 32.087 0.128 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.404 45.850 -0.446 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.019 4.039 -0.020 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.534 175.442 -0.908 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 4.019 4.025 -0.006 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.887 116.906 -4.019 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.161 8.144 0.017 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.885 65.461 -3.576 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.366 4.057 0.309 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.813 69.034 0.779 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.242 176.128 -0.886 1
1 16 . 3 1 1 A 9 9 GLY N N 9 110.959 108.057 2.902 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.457 8.180 0.277 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.259 45.784 -0.525 1
1 19 . 3 1 1 A 9 9 GLY HA3 H 9 3.931 3.907 0.024 1
1 20 . 3 1 1 A 9 9 GLY C C 9 174.041 174.440 -0.399 1
1 21 . 3 1 1 A 9 9 GLY HA2 H 9 3.931 3.902 0.029 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.453 123.510 -3.057 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.222 8.654 -0.432 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.686 55.881 0.805 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.229 4.629 -0.400 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.533 29.881 0.652 1
1 30 . 3 1 1 A 10 10 GLU C C 10 176.213 176.039 0.174 1
1 33 . 3 1 1 A 11 11 LYS N N 11 122.472 120.836 1.636 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.251 7.332 0.919 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 53.888 55.219 -1.331 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.524 4.385 0.139 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 32.818 31.786 1.032 1
1 45 . 3 1 1 A 11 11 LYS C C 11 173.839 176.595 -2.756 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 62.929 64.241 -1.312 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.338 4.382 -0.044 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.388 31.383 1.005 1
1 58 . 3 1 1 A 12 12 PRO C C 12 176.346 175.852 0.494 1
1 62 . 3 1 1 A 13 13 TYR N N 13 119.836 118.830 1.006 1
1 63 . 3 1 1 A 13 13 TYR H H 13 8.099 7.713 0.386 1
1 64 . 3 1 1 A 13 13 TYR CA C 13 57.638 56.657 0.981 1
1 65 . 3 1 1 A 13 13 TYR HA H 13 4.565 5.089 -0.524 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.246 39.412 -1.166 1
1 76 . 3 1 1 A 13 13 TYR C C 13 174.063 174.223 -0.160 1
1 78 . 3 1 1 A 14 14 LYS N N 14 125.222 125.341 -0.119 1
1 79 . 3 1 1 A 14 14 LYS H H 14 8.437 9.019 -0.582 1
1 80 . 3 1 1 A 14 14 LYS CA C 14 54.846 54.498 0.348 1
1 81 . 3 1 1 A 14 14 LYS HA H 14 5.044 5.193 -0.149 1
1 82 . 3 1 1 A 14 14 LYS CB C 14 36.065 36.439 -0.374 1
1 90 . 3 1 1 A 14 14 LYS C C 14 174.999 175.456 -0.457 1
1 95 . 3 1 1 A 15 15 CYS N N 15 127.756 124.807 2.949 1
1 96 . 3 1 1 A 15 15 CYS H H 15 9.327 9.476 -0.149 1
1 97 . 3 1 1 A 15 15 CYS CA C 15 59.366 59.549 -0.183 1
1 98 . 3 1 1 A 15 15 CYS HA H 15 4.576 4.632 -0.056 1
1 99 . 3 1 1 A 15 15 CYS CB C 15 29.545 28.495 1.050 1
1 101 . 3 1 1 A 15 15 CYS C C 15 176.864 175.174 1.690 1
1 103 . 3 1 1 A 16 16 ASN N N 16 130.374 126.246 4.128 1
1 104 . 3 1 1 A 16 16 ASN H H 16 9.432 8.938 0.494 1
1 105 . 3 1 1 A 16 16 ASN CA C 16 55.639 54.493 1.146 1
1 106 . 3 1 1 A 16 16 ASN HA H 16 4.517 4.729 -0.212 1
1 107 . 3 1 1 A 16 16 ASN CB C 16 38.395 39.008 -0.613 1
1 112 . 3 1 1 A 16 16 ASN C C 16 175.480 176.874 -1.394 1
1 114 . 3 1 1 A 17 17 GLU N N 17 120.722 119.536 1.186 1
1 115 . 3 1 1 A 17 17 GLU H H 17 8.665 7.616 1.049 1
1 116 . 3 1 1 A 17 17 GLU CA C 17 58.443 58.788 -0.345 1
1 117 . 3 1 1 A 17 17 GLU HA H 17 4.213 3.911 0.302 1
1 118 . 3 1 1 A 17 17 GLU CB C 17 29.431 29.386 0.045 1
1 122 . 3 1 1 A 17 17 GLU C C 17 177.092 177.945 -0.853 1
1 125 . 3 1 1 A 18 18 CYS N N 18 114.544 114.911 -0.367 1
1 126 . 3 1 1 A 18 18 CYS H H 18 7.925 7.414 0.511 1
1 127 . 3 1 1 A 18 18 CYS CA C 18 58.372 59.645 -1.273 1
1 128 . 3 1 1 A 18 18 CYS HA H 18 5.179 4.660 0.519 1
1 129 . 3 1 1 A 18 18 CYS CB C 18 32.404 30.004 2.400 1
1 131 . 3 1 1 A 18 18 CYS C C 18 176.255 175.477 0.778 1
1 133 . 3 1 1 A 19 19 GLY N N 19 113.579 109.744 3.835 1
1 134 . 3 1 1 A 19 19 GLY H H 19 8.223 8.002 0.221 1
1 135 . 3 1 1 A 19 19 GLY CA C 19 46.317 45.275 1.042 1
1 136 . 3 1 1 A 19 19 GLY HA3 H 19 4.247 4.070 0.177 1
1 137 . 3 1 1 A 19 19 GLY C C 19 173.572 174.647 -1.075 1
1 138 . 3 1 1 A 19 19 GLY HA2 H 19 3.732 4.056 -0.324 1
1 139 . 3 1 1 A 20 20 LYS N N 20 122.482 121.198 1.284 1
1 140 . 3 1 1 A 20 20 LYS H H 20 7.873 7.487 0.386 1
1 141 . 3 1 1 A 20 20 LYS CA C 20 58.246 57.261 0.985 1
1 142 . 3 1 1 A 20 20 LYS HA H 20 4.002 4.151 -0.149 1
1 143 . 3 1 1 A 20 20 LYS CB C 20 33.912 33.448 0.464 1
1 151 . 3 1 1 A 20 20 LYS C C 20 174.324 175.311 -0.987 1
1 156 . 3 1 1 A 21 21 VAL N N 21 116.394 122.740 -6.346 1
1 157 . 3 1 1 A 21 21 VAL H H 21 7.573 8.190 -0.617 1
1 158 . 3 1 1 A 21 21 VAL CA C 21 60.262 60.902 -0.640 1
1 159 . 3 1 1 A 21 21 VAL HA H 21 4.816 4.957 -0.141 1
1 160 . 3 1 1 A 21 21 VAL CB C 21 33.936 35.024 -1.088 1
1 170 . 3 1 1 A 21 21 VAL C C 21 175.317 174.639 0.678 1
1 171 . 3 1 1 A 22 22 PHE N N 22 120.431 123.805 -3.374 1
1 172 . 3 1 1 A 22 22 PHE H H 22 8.792 8.752 0.040 1
1 173 . 3 1 1 A 22 22 PHE CA C 22 56.890 56.491 0.399 1
1 174 . 3 1 1 A 22 22 PHE HA H 22 4.824 4.991 -0.167 1
1 175 . 3 1 1 A 22 22 PHE CB C 22 44.119 43.719 0.400 1
1 187 . 3 1 1 A 22 22 PHE C C 22 175.683 175.649 0.034 1
1 189 . 3 1 1 A 23 23 ARG N N 23 119.340 123.064 -3.724 1
1 190 . 3 1 1 A 23 23 ARG H H 23 9.329 9.000 0.329 1
1 191 . 3 1 1 A 23 23 ARG CA C 23 57.346 58.131 -0.785 1
1 192 . 3 1 1 A 23 23 ARG HA H 23 4.466 4.424 0.042 1
1 193 . 3 1 1 A 23 23 ARG CB C 23 31.371 31.141 0.230 1
1 199 . 3 1 1 A 23 23 ARG C C 23 175.065 175.780 -0.715 1
1 203 . 3 1 1 A 24 24 HIS N N 24 113.216 117.926 -4.710 1
1 204 . 3 1 1 A 24 24 HIS H H 24 7.128 8.376 -1.248 1
1 205 . 3 1 1 A 24 24 HIS CA C 24 55.437 54.291 1.146 1
1 206 . 3 1 1 A 24 24 HIS HA H 24 4.657 4.719 -0.062 1
1 207 . 3 1 1 A 24 24 HIS CB C 24 34.517 31.596 2.921 1
1 213 . 3 1 1 A 24 24 HIS C C 24 175.558 176.124 -0.566 1
1 215 . 3 1 1 A 25 25 ASN CA C 25 56.177 55.547 0.630 1
1 216 . 3 1 1 A 25 25 ASN HA H 25 3.662 3.833 -0.171 1
1 217 . 3 1 1 A 25 25 ASN CB C 25 38.311 36.968 1.343 1
1 223 . 3 1 1 A 26 26 SER CA C 26 61.298 60.985 0.313 1
1 224 . 3 1 1 A 26 26 SER HA H 26 4.085 3.837 0.248 1
1 225 . 3 1 1 A 26 26 SER CB C 26 61.728 62.913 -1.185 1
1 227 . 3 1 1 A 26 26 SER C C 26 177.140 176.222 0.918 1
1 229 . 3 1 1 A 27 27 TYR N N 27 121.463 118.898 2.565 1
1 230 . 3 1 1 A 27 27 TYR H H 27 6.951 7.252 -0.301 1
1 231 . 3 1 1 A 27 27 TYR CA C 27 58.633 61.233 -2.600 1
1 232 . 3 1 1 A 27 27 TYR HA H 27 4.342 4.234 0.108 1
1 233 . 3 1 1 A 27 27 TYR CB C 27 37.464 37.956 -0.492 1
1 243 . 3 1 1 A 27 27 TYR C C 27 178.472 178.042 0.430 1
1 245 . 3 1 1 A 28 28 LEU N N 28 122.153 122.247 -0.094 1
1 246 . 3 1 1 A 28 28 LEU H H 28 7.064 8.181 -1.117 1
1 247 . 3 1 1 A 28 28 LEU CA C 28 58.022 57.603 0.419 1
1 248 . 3 1 1 A 28 28 LEU HA H 28 3.260 3.300 -0.040 1
1 249 . 3 1 1 A 28 28 LEU CB C 28 40.390 41.286 -0.896 1
1 261 . 3 1 1 A 28 28 LEU C C 28 177.619 178.201 -0.582 1
1 263 . 3 1 1 A 29 29 SER N N 29 114.652 114.689 -0.037 1
1 264 . 3 1 1 A 29 29 SER H H 29 8.415 8.350 0.065 1
1 265 . 3 1 1 A 29 29 SER CA C 29 61.724 61.481 0.243 1
1 266 . 3 1 1 A 29 29 SER HA H 29 4.222 4.014 0.208 1
1 267 . 3 1 1 A 29 29 SER CB C 29 62.466 62.726 -0.260 1
1 269 . 3 1 1 A 29 29 SER C C 29 177.182 176.494 0.688 1
1 271 . 3 1 1 A 30 30 ARG N N 30 119.728 119.362 0.366 1
1 272 . 3 1 1 A 30 30 ARG H H 30 7.390 8.082 -0.692 1
1 273 . 3 1 1 A 30 30 ARG CA C 30 59.144 58.348 0.796 1
1 274 . 3 1 1 A 30 30 ARG HA H 30 3.997 4.128 -0.131 1
1 275 . 3 1 1 A 30 30 ARG CB C 30 30.280 29.492 0.788 1
1 281 . 3 1 1 A 30 30 ARG C C 30 178.647 178.278 0.369 1
1 285 . 3 1 1 A 31 31 HIS N N 31 119.367 120.148 -0.781 1
1 286 . 3 1 1 A 31 31 HIS H H 31 7.628 7.783 -0.155 1
1 287 . 3 1 1 A 31 31 HIS CA C 31 59.077 58.801 0.276 1
1 288 . 3 1 1 A 31 31 HIS HA H 31 4.224 4.163 0.061 1
1 289 . 3 1 1 A 31 31 HIS CB C 31 28.526 29.897 -1.371 1
1 295 . 3 1 1 A 31 31 HIS C C 31 176.140 177.010 -0.870 1
1 297 . 3 1 1 A 32 32 GLN N N 32 115.298 117.154 -1.856 1
1 298 . 3 1 1 A 32 32 GLN H H 32 8.337 8.542 -0.205 1
1 299 . 3 1 1 A 32 32 GLN CA C 32 59.342 59.097 0.245 1
1 300 . 3 1 1 A 32 32 GLN HA H 32 3.709 3.715 -0.006 1
1 301 . 3 1 1 A 32 32 GLN CB C 32 28.352 28.237 0.115 1
1 310 . 3 1 1 A 33 33 ARG N N 33 117.159 120.076 -2.917 1
1 311 . 3 1 1 A 33 33 ARG H H 33 7.099 8.095 -0.996 1
1 312 . 3 1 1 A 33 33 ARG CA C 33 58.300 58.965 -0.665 1
1 313 . 3 1 1 A 33 33 ARG HA H 33 4.144 4.036 0.108 1
1 314 . 3 1 1 A 33 33 ARG CB C 33 30.024 29.880 0.144 1
1 320 . 3 1 1 A 33 33 ARG C C 33 178.505 178.975 -0.470 1
1 324 . 3 1 1 A 34 34 ILE N N 34 116.468 117.555 -1.087 1
1 325 . 3 1 1 A 34 34 ILE H H 34 7.818 7.885 -0.067 1
1 326 . 3 1 1 A 34 34 ILE CA C 34 63.072 63.529 -0.457 1
1 327 . 3 1 1 A 34 34 ILE HA H 34 3.975 3.746 0.229 1
1 328 . 3 1 1 A 34 34 ILE CB C 34 37.673 37.349 0.324 1
1 340 . 3 1 1 A 34 34 ILE C C 34 177.406 177.430 -0.024 1
1 342 . 3 1 1 A 35 35 HIS N N 35 117.692 119.438 -1.746 1
1 343 . 3 1 1 A 35 35 HIS H H 35 7.220 7.885 -0.665 1
1 344 . 3 1 1 A 35 35 HIS CA C 35 55.298 58.273 -2.975 1
1 345 . 3 1 1 A 35 35 HIS HA H 35 4.858 4.462 0.396 1
1 346 . 3 1 1 A 35 35 HIS CB C 35 28.597 31.008 -2.411 1
1 352 . 3 1 1 A 35 35 HIS C C 35 175.834 175.272 0.562 1
1 354 . 3 1 1 A 36 36 THR N N 36 111.637 111.632 0.005 1
1 355 . 3 1 1 A 36 36 THR H H 36 7.791 7.751 0.040 1
1 356 . 3 1 1 A 36 36 THR CA C 36 62.508 62.168 0.340 1
1 357 . 3 1 1 A 36 36 THR HA H 36 4.358 4.230 0.128 1
1 358 . 3 1 1 A 36 36 THR CB C 36 69.805 68.878 0.927 1
1 364 . 3 1 1 A 36 36 THR C C 36 175.472 174.606 0.866 1
1 365 . 3 1 1 A 37 37 GLY N N 37 110.597 111.740 -1.143 1
1 366 . 3 1 1 A 37 37 GLY H H 37 8.215 8.825 -0.610 1
1 367 . 3 1 1 A 37 37 GLY CA C 37 45.345 45.967 -0.622 1
1 368 . 3 1 1 A 37 37 GLY HA3 H 37 3.941 4.124 -0.183 1
1 369 . 3 1 1 A 37 37 GLY C C 37 174.037 172.583 1.454 1
1 370 . 3 1 1 A 37 37 GLY HA2 H 37 4.036 4.118 -0.082 1
1 371 . 3 1 1 A 38 38 GLU N N 38 120.595 124.669 -4.074 1
1 372 . 3 1 1 A 38 38 GLU H H 38 8.082 8.797 -0.715 1
1 373 . 3 1 1 A 38 38 GLU CA C 38 56.438 55.188 1.250 1
1 374 . 3 1 1 A 38 38 GLU HA H 38 4.244 4.916 -0.672 1
1 375 . 3 1 1 A 38 38 GLU CB C 38 30.533 31.482 -0.949 1
1 379 . 3 1 1 A 38 38 GLU C C 38 176.198 175.520 0.678 1
1 382 . 3 1 1 A 39 39 LYS N N 39 123.862 123.580 0.282 1
1 383 . 3 1 1 A 39 39 LYS H H 39 8.413 8.514 -0.101 1
1 384 . 3 1 1 A 39 39 LYS CA C 39 54.115 53.012 1.103 1
1 385 . 3 1 1 A 39 39 LYS HA H 39 4.602 4.858 -0.256 1
1 386 . 3 1 1 A 39 39 LYS CB C 39 32.503 35.272 -2.769 1
1 394 . 3 1 1 A 39 39 LYS C C 39 174.491 173.819 0.672 1
1 399 . 3 1 1 A 40 40 PRO CA C 40 63.230 62.546 0.684 1
1 400 . 3 1 1 A 40 40 PRO HA H 40 4.457 4.639 -0.182 1
1 401 . 3 1 1 A 40 40 PRO CB C 40 32.215 32.957 -0.742 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.404 46.006 -0.602 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.019 4.021 -0.002 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.534 174.873 -0.339 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 4.019 4.010 0.009 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.887 110.301 2.586 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.161 8.027 0.134 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.885 60.089 1.796 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.366 4.671 -0.305 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.813 68.845 0.968 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.242 175.069 0.173 1
1 16 . 4 1 1 A 9 9 GLY N N 9 110.959 112.320 -1.361 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.457 8.759 -0.302 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.259 46.807 -1.548 1
1 19 . 4 1 1 A 9 9 GLY HA3 H 9 3.931 3.780 0.151 1
1 20 . 4 1 1 A 9 9 GLY C C 9 174.041 174.607 -0.566 1
1 21 . 4 1 1 A 9 9 GLY HA2 H 9 3.931 3.774 0.157 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.453 125.154 -4.701 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.222 8.624 -0.402 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.686 55.650 1.036 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.229 4.508 -0.279 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.533 30.103 0.430 1
1 30 . 4 1 1 A 10 10 GLU C C 10 176.213 175.498 0.715 1
1 33 . 4 1 1 A 11 11 LYS N N 11 122.472 121.029 1.443 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.251 7.056 1.195 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 53.888 55.277 -1.389 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.524 4.382 0.142 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 32.818 31.992 0.826 1
1 45 . 4 1 1 A 11 11 LYS C C 11 173.839 176.595 -2.756 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 62.929 64.047 -1.118 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.338 4.356 -0.018 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.388 31.241 1.147 1
1 58 . 4 1 1 A 12 12 PRO C C 12 176.346 175.745 0.601 1
1 62 . 4 1 1 A 13 13 TYR N N 13 119.836 118.976 0.860 1
1 63 . 4 1 1 A 13 13 TYR H H 13 8.099 7.602 0.497 1
1 64 . 4 1 1 A 13 13 TYR CA C 13 57.638 56.586 1.052 1
1 65 . 4 1 1 A 13 13 TYR HA H 13 4.565 5.151 -0.586 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.246 39.837 -1.591 1
1 76 . 4 1 1 A 13 13 TYR C C 13 174.063 174.288 -0.225 1
1 78 . 4 1 1 A 14 14 LYS N N 14 125.222 124.551 0.671 1
1 79 . 4 1 1 A 14 14 LYS H H 14 8.437 8.874 -0.437 1
1 80 . 4 1 1 A 14 14 LYS CA C 14 54.846 54.976 -0.130 1
1 81 . 4 1 1 A 14 14 LYS HA H 14 5.044 5.118 -0.074 1
1 82 . 4 1 1 A 14 14 LYS CB C 14 36.065 36.493 -0.428 1
1 90 . 4 1 1 A 14 14 LYS C C 14 174.999 175.035 -0.036 1
1 95 . 4 1 1 A 15 15 CYS N N 15 127.756 124.664 3.092 1
1 96 . 4 1 1 A 15 15 CYS H H 15 9.327 9.545 -0.218 1
1 97 . 4 1 1 A 15 15 CYS CA C 15 59.366 60.310 -0.944 1
1 98 . 4 1 1 A 15 15 CYS HA H 15 4.576 4.415 0.161 1
1 99 . 4 1 1 A 15 15 CYS CB C 15 29.545 28.750 0.795 1
1 101 . 4 1 1 A 15 15 CYS C C 15 176.864 175.204 1.660 1
1 103 . 4 1 1 A 16 16 ASN N N 16 130.374 125.845 4.529 1
1 104 . 4 1 1 A 16 16 ASN H H 16 9.432 8.922 0.510 1
1 105 . 4 1 1 A 16 16 ASN CA C 16 55.639 53.291 2.348 1
1 106 . 4 1 1 A 16 16 ASN HA H 16 4.517 4.947 -0.430 1
1 107 . 4 1 1 A 16 16 ASN CB C 16 38.395 38.620 -0.225 1
1 112 . 4 1 1 A 16 16 ASN C C 16 175.480 175.600 -0.120 1
1 114 . 4 1 1 A 17 17 GLU N N 17 120.722 117.459 3.263 1
1 115 . 4 1 1 A 17 17 GLU H H 17 8.665 7.864 0.801 1
1 116 . 4 1 1 A 17 17 GLU CA C 17 58.443 57.245 1.198 1
1 117 . 4 1 1 A 17 17 GLU HA H 17 4.213 4.408 -0.195 1
1 118 . 4 1 1 A 17 17 GLU CB C 17 29.431 30.375 -0.944 1
1 122 . 4 1 1 A 17 17 GLU C C 17 177.092 178.005 -0.913 1
1 125 . 4 1 1 A 18 18 CYS N N 18 114.544 115.201 -0.657 1
1 126 . 4 1 1 A 18 18 CYS H H 18 7.925 8.081 -0.156 1
1 127 . 4 1 1 A 18 18 CYS CA C 18 58.372 59.481 -1.109 1
1 128 . 4 1 1 A 18 18 CYS HA H 18 5.179 4.803 0.376 1
1 129 . 4 1 1 A 18 18 CYS CB C 18 32.404 30.135 2.269 1
1 131 . 4 1 1 A 18 18 CYS C C 18 176.255 175.600 0.655 1
1 133 . 4 1 1 A 19 19 GLY N N 19 113.579 109.886 3.693 1
1 134 . 4 1 1 A 19 19 GLY H H 19 8.223 8.004 0.219 1
1 135 . 4 1 1 A 19 19 GLY CA C 19 46.317 45.254 1.063 1
1 136 . 4 1 1 A 19 19 GLY HA3 H 19 4.247 4.062 0.185 1
1 137 . 4 1 1 A 19 19 GLY C C 19 173.572 174.551 -0.979 1
1 138 . 4 1 1 A 19 19 GLY HA2 H 19 3.732 4.057 -0.325 1
1 139 . 4 1 1 A 20 20 LYS N N 20 122.482 121.046 1.436 1
1 140 . 4 1 1 A 20 20 LYS H H 20 7.873 7.507 0.366 1
1 141 . 4 1 1 A 20 20 LYS CA C 20 58.246 57.177 1.069 1
1 142 . 4 1 1 A 20 20 LYS HA H 20 4.002 4.172 -0.170 1
1 143 . 4 1 1 A 20 20 LYS CB C 20 33.912 33.566 0.346 1
1 151 . 4 1 1 A 20 20 LYS C C 20 174.324 175.351 -1.027 1
1 156 . 4 1 1 A 21 21 VAL N N 21 116.394 122.772 -6.378 1
1 157 . 4 1 1 A 21 21 VAL H H 21 7.573 8.242 -0.669 1
1 158 . 4 1 1 A 21 21 VAL CA C 21 60.262 60.836 -0.574 1
1 159 . 4 1 1 A 21 21 VAL HA H 21 4.816 5.002 -0.186 1
1 160 . 4 1 1 A 21 21 VAL CB C 21 33.936 35.067 -1.131 1
1 170 . 4 1 1 A 21 21 VAL C C 21 175.317 174.706 0.611 1
1 171 . 4 1 1 A 22 22 PHE N N 22 120.431 124.009 -3.578 1
1 172 . 4 1 1 A 22 22 PHE H H 22 8.792 9.123 -0.331 1
1 173 . 4 1 1 A 22 22 PHE CA C 22 56.890 56.529 0.361 1
1 174 . 4 1 1 A 22 22 PHE HA H 22 4.824 4.944 -0.120 1
1 175 . 4 1 1 A 22 22 PHE CB C 22 44.119 43.695 0.424 1
1 187 . 4 1 1 A 22 22 PHE C C 22 175.683 175.657 0.026 1
1 189 . 4 1 1 A 23 23 ARG N N 23 119.340 122.947 -3.607 1
1 190 . 4 1 1 A 23 23 ARG H H 23 9.329 8.961 0.368 1
1 191 . 4 1 1 A 23 23 ARG CA C 23 57.346 58.663 -1.317 1
1 192 . 4 1 1 A 23 23 ARG HA H 23 4.466 4.349 0.117 1
1 193 . 4 1 1 A 23 23 ARG CB C 23 31.371 31.055 0.316 1
1 199 . 4 1 1 A 23 23 ARG C C 23 175.065 176.036 -0.971 1
1 203 . 4 1 1 A 24 24 HIS N N 24 113.216 118.677 -5.461 1
1 204 . 4 1 1 A 24 24 HIS H H 24 7.128 8.318 -1.190 1
1 205 . 4 1 1 A 24 24 HIS CA C 24 55.437 55.359 0.078 1
1 206 . 4 1 1 A 24 24 HIS HA H 24 4.657 4.443 0.214 1
1 207 . 4 1 1 A 24 24 HIS CB C 24 34.517 31.247 3.270 1
1 213 . 4 1 1 A 24 24 HIS C C 24 175.558 174.749 0.809 1
1 215 . 4 1 1 A 25 25 ASN CA C 25 56.177 55.444 0.733 1
1 216 . 4 1 1 A 25 25 ASN HA H 25 3.662 3.992 -0.330 1
1 217 . 4 1 1 A 25 25 ASN CB C 25 38.311 38.086 0.225 1
1 223 . 4 1 1 A 26 26 SER CA C 26 61.298 60.781 0.517 1
1 224 . 4 1 1 A 26 26 SER HA H 26 4.085 4.043 0.042 1
1 225 . 4 1 1 A 26 26 SER CB C 26 61.728 62.963 -1.235 1
1 227 . 4 1 1 A 26 26 SER C C 26 177.140 176.333 0.807 1
1 229 . 4 1 1 A 27 27 TYR N N 27 121.463 119.067 2.396 1
1 230 . 4 1 1 A 27 27 TYR H H 27 6.951 7.450 -0.499 1
1 231 . 4 1 1 A 27 27 TYR CA C 27 58.633 61.158 -2.525 1
1 232 . 4 1 1 A 27 27 TYR HA H 27 4.342 4.314 0.028 1
1 233 . 4 1 1 A 27 27 TYR CB C 27 37.464 37.911 -0.447 1
1 243 . 4 1 1 A 27 27 TYR C C 27 178.472 178.214 0.258 1
1 245 . 4 1 1 A 28 28 LEU N N 28 122.153 122.493 -0.340 1
1 246 . 4 1 1 A 28 28 LEU H H 28 7.064 7.948 -0.884 1
1 247 . 4 1 1 A 28 28 LEU CA C 28 58.022 57.467 0.555 1
1 248 . 4 1 1 A 28 28 LEU HA H 28 3.260 3.126 0.134 1
1 249 . 4 1 1 A 28 28 LEU CB C 28 40.390 41.351 -0.961 1
1 261 . 4 1 1 A 28 28 LEU C C 28 177.619 178.492 -0.873 1
1 263 . 4 1 1 A 29 29 SER N N 29 114.652 116.648 -1.996 1
1 264 . 4 1 1 A 29 29 SER H H 29 8.415 8.246 0.169 1
1 265 . 4 1 1 A 29 29 SER CA C 29 61.724 61.764 -0.040 1
1 266 . 4 1 1 A 29 29 SER HA H 29 4.222 4.042 0.180 1
1 267 . 4 1 1 A 29 29 SER CB C 29 62.466 62.686 -0.220 1
1 269 . 4 1 1 A 29 29 SER C C 29 177.182 176.826 0.356 1
1 271 . 4 1 1 A 30 30 ARG N N 30 119.728 119.819 -0.091 1
1 272 . 4 1 1 A 30 30 ARG H H 30 7.390 7.956 -0.566 1
1 273 . 4 1 1 A 30 30 ARG CA C 30 59.144 58.621 0.523 1
1 274 . 4 1 1 A 30 30 ARG HA H 30 3.997 4.136 -0.139 1
1 275 . 4 1 1 A 30 30 ARG CB C 30 30.280 29.590 0.690 1
1 281 . 4 1 1 A 30 30 ARG C C 30 178.647 178.439 0.208 1
1 285 . 4 1 1 A 31 31 HIS N N 31 119.367 120.062 -0.695 1
1 286 . 4 1 1 A 31 31 HIS H H 31 7.628 8.191 -0.563 1
1 287 . 4 1 1 A 31 31 HIS CA C 31 59.077 59.246 -0.169 1
1 288 . 4 1 1 A 31 31 HIS HA H 31 4.224 4.290 -0.066 1
1 289 . 4 1 1 A 31 31 HIS CB C 31 28.526 29.851 -1.325 1
1 295 . 4 1 1 A 31 31 HIS C C 31 176.140 177.626 -1.486 1
1 297 . 4 1 1 A 32 32 GLN N N 32 115.298 117.843 -2.545 1
1 298 . 4 1 1 A 32 32 GLN H H 32 8.337 8.189 0.148 1
1 299 . 4 1 1 A 32 32 GLN CA C 32 59.342 59.021 0.321 1
1 300 . 4 1 1 A 32 32 GLN HA H 32 3.709 3.939 -0.230 1
1 301 . 4 1 1 A 32 32 GLN CB C 32 28.352 28.227 0.125 1
1 310 . 4 1 1 A 33 33 ARG N N 33 117.159 119.615 -2.456 1
1 311 . 4 1 1 A 33 33 ARG H H 33 7.099 8.173 -1.074 1
1 312 . 4 1 1 A 33 33 ARG CA C 33 58.300 58.994 -0.694 1
1 313 . 4 1 1 A 33 33 ARG HA H 33 4.144 4.041 0.103 1
1 314 . 4 1 1 A 33 33 ARG CB C 33 30.024 29.829 0.195 1
1 320 . 4 1 1 A 33 33 ARG C C 33 178.505 178.963 -0.458 1
1 324 . 4 1 1 A 34 34 ILE N N 34 116.468 117.596 -1.128 1
1 325 . 4 1 1 A 34 34 ILE H H 34 7.818 7.623 0.195 1
1 326 . 4 1 1 A 34 34 ILE CA C 34 63.072 63.383 -0.311 1
1 327 . 4 1 1 A 34 34 ILE HA H 34 3.975 3.860 0.115 1
1 328 . 4 1 1 A 34 34 ILE CB C 34 37.673 37.292 0.381 1
1 340 . 4 1 1 A 34 34 ILE C C 34 177.406 177.772 -0.366 1
1 342 . 4 1 1 A 35 35 HIS N N 35 117.692 119.506 -1.814 1
1 343 . 4 1 1 A 35 35 HIS H H 35 7.220 7.781 -0.561 1
1 344 . 4 1 1 A 35 35 HIS CA C 35 55.298 58.602 -3.304 1
1 345 . 4 1 1 A 35 35 HIS HA H 35 4.858 4.417 0.441 1
1 346 . 4 1 1 A 35 35 HIS CB C 35 28.597 31.028 -2.431 1
1 352 . 4 1 1 A 35 35 HIS C C 35 175.834 175.380 0.454 1
1 354 . 4 1 1 A 36 36 THR N N 36 111.637 111.957 -0.320 1
1 355 . 4 1 1 A 36 36 THR H H 36 7.791 8.010 -0.219 1
1 356 . 4 1 1 A 36 36 THR CA C 36 62.508 61.121 1.387 1
1 357 . 4 1 1 A 36 36 THR HA H 36 4.358 4.677 -0.319 1
1 358 . 4 1 1 A 36 36 THR CB C 36 69.805 70.478 -0.673 1
1 364 . 4 1 1 A 36 36 THR C C 36 175.472 173.693 1.779 1
1 365 . 4 1 1 A 37 37 GLY N N 37 110.597 113.590 -2.993 1
1 366 . 4 1 1 A 37 37 GLY H H 37 8.215 8.340 -0.125 1
1 367 . 4 1 1 A 37 37 GLY CA C 37 45.345 46.162 -0.817 1
1 368 . 4 1 1 A 37 37 GLY HA3 H 37 3.941 4.220 -0.279 1
1 369 . 4 1 1 A 37 37 GLY C C 37 174.037 172.048 1.989 1
1 370 . 4 1 1 A 37 37 GLY HA2 H 37 4.036 4.217 -0.181 1
1 371 . 4 1 1 A 38 38 GLU N N 38 120.595 121.367 -0.772 1
1 372 . 4 1 1 A 38 38 GLU H H 38 8.082 8.480 -0.398 1
1 373 . 4 1 1 A 38 38 GLU CA C 38 56.438 54.959 1.479 1
1 374 . 4 1 1 A 38 38 GLU HA H 38 4.244 4.898 -0.654 1
1 375 . 4 1 1 A 38 38 GLU CB C 38 30.533 32.687 -2.154 1
1 379 . 4 1 1 A 38 38 GLU C C 38 176.198 175.291 0.907 1
1 382 . 4 1 1 A 39 39 LYS N N 39 123.862 124.090 -0.228 1
1 383 . 4 1 1 A 39 39 LYS H H 39 8.413 8.782 -0.369 1
1 384 . 4 1 1 A 39 39 LYS CA C 39 54.115 53.121 0.994 1
1 385 . 4 1 1 A 39 39 LYS HA H 39 4.602 4.769 -0.167 1
1 386 . 4 1 1 A 39 39 LYS CB C 39 32.503 33.464 -0.961 1
1 394 . 4 1 1 A 39 39 LYS C C 39 174.491 174.217 0.274 1
1 399 . 4 1 1 A 40 40 PRO CA C 40 63.230 62.214 1.016 1
1 400 . 4 1 1 A 40 40 PRO HA H 40 4.457 4.586 -0.129 1
1 401 . 4 1 1 A 40 40 PRO CB C 40 32.215 33.217 -1.002 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.404 44.031 1.373 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.019 4.173 -0.154 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.534 172.401 2.133 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 4.019 4.172 -0.153 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.887 115.131 -2.244 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.161 8.825 -0.664 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.885 61.338 0.547 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.366 4.695 -0.329 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.813 69.953 -0.140 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.242 175.081 0.161 1
1 16 . 5 1 1 A 9 9 GLY N N 9 110.959 114.428 -3.469 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.457 8.760 -0.303 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.259 44.846 0.413 1
1 19 . 5 1 1 A 9 9 GLY HA3 H 9 3.931 4.053 -0.122 1
1 20 . 5 1 1 A 9 9 GLY C C 9 174.041 173.387 0.654 1
1 21 . 5 1 1 A 9 9 GLY HA2 H 9 3.931 4.049 -0.118 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.453 118.531 1.922 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.222 8.475 -0.253 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.686 54.837 1.849 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.229 5.161 -0.932 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.533 33.013 -2.480 1
1 30 . 5 1 1 A 10 10 GLU C C 10 176.213 174.763 1.450 1
1 33 . 5 1 1 A 11 11 LYS N N 11 122.472 123.809 -1.337 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.251 8.917 -0.666 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 53.888 53.831 0.057 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.524 4.696 -0.172 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 32.818 32.576 0.242 1
1 45 . 5 1 1 A 11 11 LYS C C 11 173.839 176.377 -2.538 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 62.929 64.056 -1.127 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.338 4.390 -0.052 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.388 31.389 0.999 1
1 58 . 5 1 1 A 12 12 PRO C C 12 176.346 175.625 0.721 1
1 62 . 5 1 1 A 13 13 TYR N N 13 119.836 119.046 0.790 1
1 63 . 5 1 1 A 13 13 TYR H H 13 8.099 7.551 0.548 1
1 64 . 5 1 1 A 13 13 TYR CA C 13 57.638 56.606 1.032 1
1 65 . 5 1 1 A 13 13 TYR HA H 13 4.565 5.260 -0.695 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.246 40.149 -1.903 1
1 76 . 5 1 1 A 13 13 TYR C C 13 174.063 174.108 -0.045 1
1 78 . 5 1 1 A 14 14 LYS N N 14 125.222 124.904 0.318 1
1 79 . 5 1 1 A 14 14 LYS H H 14 8.437 8.984 -0.547 1
1 80 . 5 1 1 A 14 14 LYS CA C 14 54.846 54.667 0.179 1
1 81 . 5 1 1 A 14 14 LYS HA H 14 5.044 5.170 -0.126 1
1 82 . 5 1 1 A 14 14 LYS CB C 14 36.065 36.511 -0.446 1
1 90 . 5 1 1 A 14 14 LYS C C 14 174.999 175.488 -0.489 1
1 95 . 5 1 1 A 15 15 CYS N N 15 127.756 124.931 2.825 1
1 96 . 5 1 1 A 15 15 CYS H H 15 9.327 9.504 -0.177 1
1 97 . 5 1 1 A 15 15 CYS CA C 15 59.366 60.054 -0.688 1
1 98 . 5 1 1 A 15 15 CYS HA H 15 4.576 4.588 -0.012 1
1 99 . 5 1 1 A 15 15 CYS CB C 15 29.545 28.870 0.675 1
1 101 . 5 1 1 A 15 15 CYS C C 15 176.864 176.419 0.445 1
1 103 . 5 1 1 A 16 16 ASN N N 16 130.374 127.163 3.211 1
1 104 . 5 1 1 A 16 16 ASN H H 16 9.432 9.365 0.067 1
1 105 . 5 1 1 A 16 16 ASN CA C 16 55.639 52.596 3.043 1
1 106 . 5 1 1 A 16 16 ASN HA H 16 4.517 5.035 -0.518 1
1 107 . 5 1 1 A 16 16 ASN CB C 16 38.395 38.708 -0.313 1
1 112 . 5 1 1 A 16 16 ASN C C 16 175.480 176.242 -0.762 1
1 114 . 5 1 1 A 17 17 GLU N N 17 120.722 119.116 1.606 1
1 115 . 5 1 1 A 17 17 GLU H H 17 8.665 8.111 0.554 1
1 116 . 5 1 1 A 17 17 GLU CA C 17 58.443 57.214 1.229 1
1 117 . 5 1 1 A 17 17 GLU HA H 17 4.213 4.331 -0.118 1
1 118 . 5 1 1 A 17 17 GLU CB C 17 29.431 30.331 -0.900 1
1 122 . 5 1 1 A 17 17 GLU C C 17 177.092 177.614 -0.522 1
1 125 . 5 1 1 A 18 18 CYS N N 18 114.544 114.525 0.019 1
1 126 . 5 1 1 A 18 18 CYS H H 18 7.925 7.936 -0.011 1
1 127 . 5 1 1 A 18 18 CYS CA C 18 58.372 59.498 -1.126 1
1 128 . 5 1 1 A 18 18 CYS HA H 18 5.179 4.719 0.460 1
1 129 . 5 1 1 A 18 18 CYS CB C 18 32.404 30.145 2.259 1
1 131 . 5 1 1 A 18 18 CYS C C 18 176.255 175.507 0.748 1
1 133 . 5 1 1 A 19 19 GLY N N 19 113.579 109.331 4.248 1
1 134 . 5 1 1 A 19 19 GLY H H 19 8.223 7.983 0.240 1
1 135 . 5 1 1 A 19 19 GLY CA C 19 46.317 45.374 0.943 1
1 136 . 5 1 1 A 19 19 GLY HA3 H 19 4.247 4.061 0.186 1
1 137 . 5 1 1 A 19 19 GLY C C 19 173.572 174.796 -1.224 1
1 138 . 5 1 1 A 19 19 GLY HA2 H 19 3.732 4.055 -0.323 1
1 139 . 5 1 1 A 20 20 LYS N N 20 122.482 121.247 1.235 1
1 140 . 5 1 1 A 20 20 LYS H H 20 7.873 7.597 0.276 1
1 141 . 5 1 1 A 20 20 LYS CA C 20 58.246 57.166 1.080 1
1 142 . 5 1 1 A 20 20 LYS HA H 20 4.002 4.174 -0.172 1
1 143 . 5 1 1 A 20 20 LYS CB C 20 33.912 33.378 0.534 1
1 151 . 5 1 1 A 20 20 LYS C C 20 174.324 175.304 -0.980 1
1 156 . 5 1 1 A 21 21 VAL N N 21 116.394 121.879 -5.485 1
1 157 . 5 1 1 A 21 21 VAL H H 21 7.573 8.029 -0.456 1
1 158 . 5 1 1 A 21 21 VAL CA C 21 60.262 60.450 -0.188 1
1 159 . 5 1 1 A 21 21 VAL HA H 21 4.816 4.967 -0.151 1
1 160 . 5 1 1 A 21 21 VAL CB C 21 33.936 35.755 -1.819 1
1 170 . 5 1 1 A 21 21 VAL C C 21 175.317 174.303 1.014 1
1 171 . 5 1 1 A 22 22 PHE N N 22 120.431 124.227 -3.796 1
1 172 . 5 1 1 A 22 22 PHE H H 22 8.792 8.774 0.018 1
1 173 . 5 1 1 A 22 22 PHE CA C 22 56.890 56.728 0.162 1
1 174 . 5 1 1 A 22 22 PHE HA H 22 4.824 5.083 -0.259 1
1 175 . 5 1 1 A 22 22 PHE CB C 22 44.119 43.947 0.172 1
1 187 . 5 1 1 A 22 22 PHE C C 22 175.683 175.627 0.056 1
1 189 . 5 1 1 A 23 23 ARG N N 23 119.340 120.861 -1.521 1
1 190 . 5 1 1 A 23 23 ARG H H 23 9.329 9.174 0.155 1
1 191 . 5 1 1 A 23 23 ARG CA C 23 57.346 57.808 -0.462 1
1 192 . 5 1 1 A 23 23 ARG HA H 23 4.466 4.574 -0.108 1
1 193 . 5 1 1 A 23 23 ARG CB C 23 31.371 31.442 -0.071 1
1 199 . 5 1 1 A 23 23 ARG C C 23 175.065 176.405 -1.340 1
1 203 . 5 1 1 A 24 24 HIS N N 24 113.216 118.310 -5.094 1
1 204 . 5 1 1 A 24 24 HIS H H 24 7.128 8.221 -1.093 1
1 205 . 5 1 1 A 24 24 HIS CA C 24 55.437 55.220 0.217 1
1 206 . 5 1 1 A 24 24 HIS HA H 24 4.657 4.653 0.004 1
1 207 . 5 1 1 A 24 24 HIS CB C 24 34.517 31.139 3.378 1
1 213 . 5 1 1 A 24 24 HIS C C 24 175.558 175.363 0.195 1
1 215 . 5 1 1 A 25 25 ASN CA C 25 56.177 55.863 0.314 1
1 216 . 5 1 1 A 25 25 ASN HA H 25 3.662 3.895 -0.233 1
1 217 . 5 1 1 A 25 25 ASN CB C 25 38.311 37.641 0.670 1
1 223 . 5 1 1 A 26 26 SER CA C 26 61.298 60.941 0.357 1
1 224 . 5 1 1 A 26 26 SER HA H 26 4.085 3.899 0.186 1
1 225 . 5 1 1 A 26 26 SER CB C 26 61.728 62.850 -1.122 1
1 227 . 5 1 1 A 26 26 SER C C 26 177.140 176.654 0.486 1
1 229 . 5 1 1 A 27 27 TYR N N 27 121.463 118.797 2.666 1
1 230 . 5 1 1 A 27 27 TYR H H 27 6.951 7.258 -0.307 1
1 231 . 5 1 1 A 27 27 TYR CA C 27 58.633 60.874 -2.241 1
1 232 . 5 1 1 A 27 27 TYR HA H 27 4.342 4.259 0.083 1
1 233 . 5 1 1 A 27 27 TYR CB C 27 37.464 37.621 -0.157 1
1 243 . 5 1 1 A 27 27 TYR C C 27 178.472 177.951 0.521 1
1 245 . 5 1 1 A 28 28 LEU N N 28 122.153 122.159 -0.006 1
1 246 . 5 1 1 A 28 28 LEU H H 28 7.064 7.611 -0.547 1
1 247 . 5 1 1 A 28 28 LEU CA C 28 58.022 57.497 0.525 1
1 248 . 5 1 1 A 28 28 LEU HA H 28 3.260 2.992 0.268 1
1 249 . 5 1 1 A 28 28 LEU CB C 28 40.390 41.401 -1.011 1
1 261 . 5 1 1 A 28 28 LEU C C 28 177.619 178.709 -1.090 1
1 263 . 5 1 1 A 29 29 SER N N 29 114.652 117.053 -2.401 1
1 264 . 5 1 1 A 29 29 SER H H 29 8.415 8.264 0.151 1
1 265 . 5 1 1 A 29 29 SER CA C 29 61.724 61.843 -0.119 1
1 266 . 5 1 1 A 29 29 SER HA H 29 4.222 4.056 0.166 1
1 267 . 5 1 1 A 29 29 SER CB C 29 62.466 62.801 -0.335 1
1 269 . 5 1 1 A 29 29 SER C C 29 177.182 176.602 0.580 1
1 271 . 5 1 1 A 30 30 ARG N N 30 119.728 119.746 -0.018 1
1 272 . 5 1 1 A 30 30 ARG H H 30 7.390 7.934 -0.544 1
1 273 . 5 1 1 A 30 30 ARG CA C 30 59.144 58.369 0.775 1
1 274 . 5 1 1 A 30 30 ARG HA H 30 3.997 4.123 -0.126 1
1 275 . 5 1 1 A 30 30 ARG CB C 30 30.280 29.380 0.900 1
1 281 . 5 1 1 A 30 30 ARG C C 30 178.647 178.201 0.446 1
1 285 . 5 1 1 A 31 31 HIS N N 31 119.367 120.102 -0.735 1
1 286 . 5 1 1 A 31 31 HIS H H 31 7.628 8.073 -0.445 1
1 287 . 5 1 1 A 31 31 HIS CA C 31 59.077 58.876 0.201 1
1 288 . 5 1 1 A 31 31 HIS HA H 31 4.224 4.158 0.066 1
1 289 . 5 1 1 A 31 31 HIS CB C 31 28.526 30.132 -1.606 1
1 295 . 5 1 1 A 31 31 HIS C C 31 176.140 177.112 -0.972 1
1 297 . 5 1 1 A 32 32 GLN N N 32 115.298 117.612 -2.314 1
1 298 . 5 1 1 A 32 32 GLN H H 32 8.337 8.298 0.039 1
1 299 . 5 1 1 A 32 32 GLN CA C 32 59.342 59.311 0.031 1
1 300 . 5 1 1 A 32 32 GLN HA H 32 3.709 3.868 -0.159 1
1 301 . 5 1 1 A 32 32 GLN CB C 32 28.352 28.379 -0.027 1
1 310 . 5 1 1 A 33 33 ARG N N 33 117.159 119.955 -2.796 1
1 311 . 5 1 1 A 33 33 ARG H H 33 7.099 7.653 -0.554 1
1 312 . 5 1 1 A 33 33 ARG CA C 33 58.300 58.815 -0.515 1
1 313 . 5 1 1 A 33 33 ARG HA H 33 4.144 4.290 -0.146 1
1 314 . 5 1 1 A 33 33 ARG CB C 33 30.024 29.860 0.164 1
1 320 . 5 1 1 A 33 33 ARG C C 33 178.505 178.895 -0.390 1
1 324 . 5 1 1 A 34 34 ILE N N 34 116.468 118.078 -1.610 1
1 325 . 5 1 1 A 34 34 ILE H H 34 7.818 7.861 -0.043 1
1 326 . 5 1 1 A 34 34 ILE CA C 34 63.072 63.659 -0.587 1
1 327 . 5 1 1 A 34 34 ILE HA H 34 3.975 3.735 0.240 1
1 328 . 5 1 1 A 34 34 ILE CB C 34 37.673 37.191 0.482 1
1 340 . 5 1 1 A 34 34 ILE C C 34 177.406 177.221 0.185 1
1 342 . 5 1 1 A 35 35 HIS N N 35 117.692 119.170 -1.478 1
1 343 . 5 1 1 A 35 35 HIS H H 35 7.220 7.746 -0.526 1
1 344 . 5 1 1 A 35 35 HIS CA C 35 55.298 57.371 -2.073 1
1 345 . 5 1 1 A 35 35 HIS HA H 35 4.858 4.515 0.343 1
1 346 . 5 1 1 A 35 35 HIS CB C 35 28.597 31.554 -2.957 1
1 352 . 5 1 1 A 35 35 HIS C C 35 175.834 175.170 0.664 1
1 354 . 5 1 1 A 36 36 THR N N 36 111.637 110.825 0.812 1
1 355 . 5 1 1 A 36 36 THR H H 36 7.791 7.837 -0.046 1
1 356 . 5 1 1 A 36 36 THR CA C 36 62.508 59.498 3.010 1
1 357 . 5 1 1 A 36 36 THR HA H 36 4.358 4.700 -0.342 1
1 358 . 5 1 1 A 36 36 THR CB C 36 69.805 72.479 -2.674 1
1 364 . 5 1 1 A 36 36 THR C C 36 175.472 173.294 2.178 1
1 365 . 5 1 1 A 37 37 GLY N N 37 110.597 113.075 -2.478 1
1 366 . 5 1 1 A 37 37 GLY H H 37 8.215 8.139 0.076 1
1 367 . 5 1 1 A 37 37 GLY CA C 37 45.345 46.077 -0.732 1
1 368 . 5 1 1 A 37 37 GLY HA3 H 37 3.941 4.263 -0.322 1
1 369 . 5 1 1 A 37 37 GLY C C 37 174.037 171.230 2.807 1
1 370 . 5 1 1 A 37 37 GLY HA2 H 37 4.036 4.260 -0.224 1
1 371 . 5 1 1 A 38 38 GLU N N 38 120.595 123.610 -3.015 1
1 372 . 5 1 1 A 38 38 GLU H H 38 8.082 8.818 -0.736 1
1 373 . 5 1 1 A 38 38 GLU CA C 38 56.438 55.114 1.324 1
1 374 . 5 1 1 A 38 38 GLU HA H 38 4.244 5.095 -0.851 1
1 375 . 5 1 1 A 38 38 GLU CB C 38 30.533 32.758 -2.225 1
1 379 . 5 1 1 A 38 38 GLU C C 38 176.198 174.097 2.101 1
1 382 . 5 1 1 A 39 39 LYS N N 39 123.862 128.255 -4.393 1
1 383 . 5 1 1 A 39 39 LYS H H 39 8.413 8.962 -0.549 1
1 384 . 5 1 1 A 39 39 LYS CA C 39 54.115 53.663 0.452 1
1 385 . 5 1 1 A 39 39 LYS HA H 39 4.602 4.735 -0.133 1
1 386 . 5 1 1 A 39 39 LYS CB C 39 32.503 34.364 -1.861 1
1 394 . 5 1 1 A 39 39 LYS C C 39 174.491 174.733 -0.242 1
1 399 . 5 1 1 A 40 40 PRO CA C 40 63.230 62.850 0.380 1
1 400 . 5 1 1 A 40 40 PRO HA H 40 4.457 4.708 -0.251 1
1 401 . 5 1 1 A 40 40 PRO CB C 40 32.215 31.389 0.826 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.404 44.489 0.915 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.019 4.010 0.009 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.534 172.593 1.941 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 4.019 4.005 0.014 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.887 112.167 0.720 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.161 8.228 -0.067 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.885 59.833 2.052 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.366 4.925 -0.559 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.813 71.349 -1.536 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.242 173.793 1.449 1
1 16 . 6 1 1 A 9 9 GLY N N 9 110.959 114.263 -3.304 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.457 8.673 -0.216 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.259 46.605 -1.346 1
1 19 . 6 1 1 A 9 9 GLY HA3 H 9 3.931 4.030 -0.099 1
1 20 . 6 1 1 A 9 9 GLY C C 9 174.041 175.001 -0.960 1
1 21 . 6 1 1 A 9 9 GLY HA2 H 9 3.931 4.023 -0.092 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.453 117.695 2.758 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.222 8.343 -0.121 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.686 55.918 0.768 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.229 4.510 -0.281 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.533 31.676 -1.143 1
1 30 . 6 1 1 A 10 10 GLU C C 10 176.213 175.851 0.362 1
1 33 . 6 1 1 A 11 11 LYS N N 11 122.472 118.661 3.811 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.251 7.349 0.902 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 53.888 53.228 0.660 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.524 4.814 -0.290 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 32.818 34.289 -1.471 1
1 45 . 6 1 1 A 11 11 LYS C C 11 173.839 176.268 -2.429 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 62.929 64.236 -1.307 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.338 4.372 -0.034 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.388 31.562 0.826 1
1 58 . 6 1 1 A 12 12 PRO C C 12 176.346 175.858 0.488 1
1 62 . 6 1 1 A 13 13 TYR N N 13 119.836 118.655 1.181 1
1 63 . 6 1 1 A 13 13 TYR H H 13 8.099 7.717 0.382 1
1 64 . 6 1 1 A 13 13 TYR CA C 13 57.638 56.649 0.989 1
1 65 . 6 1 1 A 13 13 TYR HA H 13 4.565 5.074 -0.509 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.246 39.246 -1.000 1
1 76 . 6 1 1 A 13 13 TYR C C 13 174.063 174.340 -0.277 1
1 78 . 6 1 1 A 14 14 LYS N N 14 125.222 125.699 -0.477 1
1 79 . 6 1 1 A 14 14 LYS H H 14 8.437 9.072 -0.635 1
1 80 . 6 1 1 A 14 14 LYS CA C 14 54.846 54.152 0.694 1
1 81 . 6 1 1 A 14 14 LYS HA H 14 5.044 5.214 -0.170 1
1 82 . 6 1 1 A 14 14 LYS CB C 14 36.065 36.192 -0.127 1
1 90 . 6 1 1 A 14 14 LYS C C 14 174.999 175.586 -0.587 1
1 95 . 6 1 1 A 15 15 CYS N N 15 127.756 124.319 3.437 1
1 96 . 6 1 1 A 15 15 CYS H H 15 9.327 9.529 -0.202 1
1 97 . 6 1 1 A 15 15 CYS CA C 15 59.366 58.990 0.376 1
1 98 . 6 1 1 A 15 15 CYS HA H 15 4.576 4.706 -0.130 1
1 99 . 6 1 1 A 15 15 CYS CB C 15 29.545 28.360 1.185 1
1 101 . 6 1 1 A 15 15 CYS C C 15 176.864 175.764 1.100 1
1 103 . 6 1 1 A 16 16 ASN N N 16 130.374 125.776 4.598 1
1 104 . 6 1 1 A 16 16 ASN H H 16 9.432 9.038 0.394 1
1 105 . 6 1 1 A 16 16 ASN CA C 16 55.639 53.956 1.683 1
1 106 . 6 1 1 A 16 16 ASN HA H 16 4.517 4.894 -0.377 1
1 107 . 6 1 1 A 16 16 ASN CB C 16 38.395 38.477 -0.082 1
1 112 . 6 1 1 A 16 16 ASN C C 16 175.480 175.677 -0.197 1
1 114 . 6 1 1 A 17 17 GLU N N 17 120.722 117.457 3.265 1
1 115 . 6 1 1 A 17 17 GLU H H 17 8.665 7.990 0.675 1
1 116 . 6 1 1 A 17 17 GLU CA C 17 58.443 57.166 1.277 1
1 117 . 6 1 1 A 17 17 GLU HA H 17 4.213 4.402 -0.189 1
1 118 . 6 1 1 A 17 17 GLU CB C 17 29.431 30.751 -1.320 1
1 122 . 6 1 1 A 17 17 GLU C C 17 177.092 177.696 -0.604 1
1 125 . 6 1 1 A 18 18 CYS N N 18 114.544 114.687 -0.143 1
1 126 . 6 1 1 A 18 18 CYS H H 18 7.925 7.985 -0.060 1
1 127 . 6 1 1 A 18 18 CYS CA C 18 58.372 59.419 -1.047 1
1 128 . 6 1 1 A 18 18 CYS HA H 18 5.179 4.714 0.465 1
1 129 . 6 1 1 A 18 18 CYS CB C 18 32.404 30.370 2.034 1
1 131 . 6 1 1 A 18 18 CYS C C 18 176.255 175.538 0.717 1
1 133 . 6 1 1 A 19 19 GLY N N 19 113.579 109.681 3.898 1
1 134 . 6 1 1 A 19 19 GLY H H 19 8.223 8.024 0.199 1
1 135 . 6 1 1 A 19 19 GLY CA C 19 46.317 45.382 0.935 1
1 136 . 6 1 1 A 19 19 GLY HA3 H 19 4.247 4.084 0.163 1
1 137 . 6 1 1 A 19 19 GLY C C 19 173.572 174.799 -1.227 1
1 138 . 6 1 1 A 19 19 GLY HA2 H 19 3.732 4.071 -0.339 1
1 139 . 6 1 1 A 20 20 LYS N N 20 122.482 121.331 1.151 1
1 140 . 6 1 1 A 20 20 LYS H H 20 7.873 7.572 0.301 1
1 141 . 6 1 1 A 20 20 LYS CA C 20 58.246 57.281 0.965 1
1 142 . 6 1 1 A 20 20 LYS HA H 20 4.002 4.168 -0.166 1
1 143 . 6 1 1 A 20 20 LYS CB C 20 33.912 33.022 0.890 1
1 151 . 6 1 1 A 20 20 LYS C C 20 174.324 175.336 -1.012 1
1 156 . 6 1 1 A 21 21 VAL N N 21 116.394 122.762 -6.368 1
1 157 . 6 1 1 A 21 21 VAL H H 21 7.573 8.362 -0.789 1
1 158 . 6 1 1 A 21 21 VAL CA C 21 60.262 61.174 -0.912 1
1 159 . 6 1 1 A 21 21 VAL HA H 21 4.816 5.088 -0.272 1
1 160 . 6 1 1 A 21 21 VAL CB C 21 33.936 34.735 -0.799 1
1 170 . 6 1 1 A 21 21 VAL C C 21 175.317 174.630 0.687 1
1 171 . 6 1 1 A 22 22 PHE N N 22 120.431 124.529 -4.098 1
1 172 . 6 1 1 A 22 22 PHE H H 22 8.792 9.021 -0.229 1
1 173 . 6 1 1 A 22 22 PHE CA C 22 56.890 56.776 0.114 1
1 174 . 6 1 1 A 22 22 PHE HA H 22 4.824 4.993 -0.169 1
1 175 . 6 1 1 A 22 22 PHE CB C 22 44.119 43.810 0.309 1
1 187 . 6 1 1 A 22 22 PHE C C 22 175.683 175.809 -0.126 1
1 189 . 6 1 1 A 23 23 ARG N N 23 119.340 122.059 -2.719 1
1 190 . 6 1 1 A 23 23 ARG H H 23 9.329 9.013 0.316 1
1 191 . 6 1 1 A 23 23 ARG CA C 23 57.346 57.698 -0.352 1
1 192 . 6 1 1 A 23 23 ARG HA H 23 4.466 4.445 0.021 1
1 193 . 6 1 1 A 23 23 ARG CB C 23 31.371 31.506 -0.135 1
1 199 . 6 1 1 A 23 23 ARG C C 23 175.065 175.358 -0.293 1
1 203 . 6 1 1 A 24 24 HIS N N 24 113.216 117.653 -4.437 1
1 204 . 6 1 1 A 24 24 HIS H H 24 7.128 8.099 -0.971 1
1 205 . 6 1 1 A 24 24 HIS CA C 24 55.437 54.497 0.940 1
1 206 . 6 1 1 A 24 24 HIS HA H 24 4.657 4.617 0.040 1
1 207 . 6 1 1 A 24 24 HIS CB C 24 34.517 32.011 2.506 1
1 213 . 6 1 1 A 24 24 HIS C C 24 175.558 176.116 -0.558 1
1 215 . 6 1 1 A 25 25 ASN CA C 25 56.177 55.741 0.436 1
1 216 . 6 1 1 A 25 25 ASN HA H 25 3.662 4.087 -0.425 1
1 217 . 6 1 1 A 25 25 ASN CB C 25 38.311 37.049 1.262 1
1 223 . 6 1 1 A 26 26 SER CA C 26 61.298 61.938 -0.640 1
1 224 . 6 1 1 A 26 26 SER HA H 26 4.085 3.986 0.099 1
1 225 . 6 1 1 A 26 26 SER CB C 26 61.728 62.320 -0.592 1
1 227 . 6 1 1 A 26 26 SER C C 26 177.140 176.243 0.897 1
1 229 . 6 1 1 A 27 27 TYR N N 27 121.463 120.139 1.324 1
1 230 . 6 1 1 A 27 27 TYR H H 27 6.951 7.704 -0.753 1
1 231 . 6 1 1 A 27 27 TYR CA C 27 58.633 60.827 -2.194 1
1 232 . 6 1 1 A 27 27 TYR HA H 27 4.342 4.317 0.025 1
1 233 . 6 1 1 A 27 27 TYR CB C 27 37.464 38.656 -1.192 1
1 243 . 6 1 1 A 27 27 TYR C C 27 178.472 177.765 0.707 1
1 245 . 6 1 1 A 28 28 LEU N N 28 122.153 121.335 0.818 1
1 246 . 6 1 1 A 28 28 LEU H H 28 7.064 7.479 -0.415 1
1 247 . 6 1 1 A 28 28 LEU CA C 28 58.022 57.765 0.257 1
1 248 . 6 1 1 A 28 28 LEU HA H 28 3.260 2.832 0.428 1
1 249 . 6 1 1 A 28 28 LEU CB C 28 40.390 41.323 -0.933 1
1 261 . 6 1 1 A 28 28 LEU C C 28 177.619 178.361 -0.742 1
1 263 . 6 1 1 A 29 29 SER N N 29 114.652 115.272 -0.620 1
1 264 . 6 1 1 A 29 29 SER H H 29 8.415 8.121 0.294 1
1 265 . 6 1 1 A 29 29 SER CA C 29 61.724 61.873 -0.149 1
1 266 . 6 1 1 A 29 29 SER HA H 29 4.222 4.000 0.222 1
1 267 . 6 1 1 A 29 29 SER CB C 29 62.466 62.612 -0.146 1
1 269 . 6 1 1 A 29 29 SER C C 29 177.182 176.835 0.347 1
1 271 . 6 1 1 A 30 30 ARG N N 30 119.728 121.590 -1.862 1
1 272 . 6 1 1 A 30 30 ARG H H 30 7.390 7.847 -0.457 1
1 273 . 6 1 1 A 30 30 ARG CA C 30 59.144 59.366 -0.222 1
1 274 . 6 1 1 A 30 30 ARG HA H 30 3.997 4.182 -0.185 1
1 275 . 6 1 1 A 30 30 ARG CB C 30 30.280 29.889 0.391 1
1 281 . 6 1 1 A 30 30 ARG C C 30 178.647 178.618 0.029 1
1 285 . 6 1 1 A 31 31 HIS N N 31 119.367 121.577 -2.210 1
1 286 . 6 1 1 A 31 31 HIS H H 31 7.628 8.106 -0.478 1
1 287 . 6 1 1 A 31 31 HIS CA C 31 59.077 59.017 0.060 1
1 288 . 6 1 1 A 31 31 HIS HA H 31 4.224 4.181 0.043 1
1 289 . 6 1 1 A 31 31 HIS CB C 31 28.526 30.189 -1.663 1
1 295 . 6 1 1 A 31 31 HIS C C 31 176.140 176.959 -0.819 1
1 297 . 6 1 1 A 32 32 GLN N N 32 115.298 117.372 -2.074 1
1 298 . 6 1 1 A 32 32 GLN H H 32 8.337 8.351 -0.014 1
1 299 . 6 1 1 A 32 32 GLN CA C 32 59.342 59.050 0.292 1
1 300 . 6 1 1 A 32 32 GLN HA H 32 3.709 3.483 0.226 1
1 301 . 6 1 1 A 32 32 GLN CB C 32 28.352 28.287 0.065 1
1 310 . 6 1 1 A 33 33 ARG N N 33 117.159 119.925 -2.766 1
1 311 . 6 1 1 A 33 33 ARG H H 33 7.099 7.638 -0.539 1
1 312 . 6 1 1 A 33 33 ARG CA C 33 58.300 58.916 -0.616 1
1 313 . 6 1 1 A 33 33 ARG HA H 33 4.144 3.952 0.192 1
1 314 . 6 1 1 A 33 33 ARG CB C 33 30.024 29.868 0.156 1
1 320 . 6 1 1 A 33 33 ARG C C 33 178.505 178.905 -0.400 1
1 324 . 6 1 1 A 34 34 ILE N N 34 116.468 117.852 -1.384 1
1 325 . 6 1 1 A 34 34 ILE H H 34 7.818 7.929 -0.111 1
1 326 . 6 1 1 A 34 34 ILE CA C 34 63.072 63.689 -0.617 1
1 327 . 6 1 1 A 34 34 ILE HA H 34 3.975 3.742 0.233 1
1 328 . 6 1 1 A 34 34 ILE CB C 34 37.673 37.300 0.373 1
1 340 . 6 1 1 A 34 34 ILE C C 34 177.406 177.628 -0.222 1
1 342 . 6 1 1 A 35 35 HIS N N 35 117.692 119.922 -2.230 1
1 343 . 6 1 1 A 35 35 HIS H H 35 7.220 7.568 -0.348 1
1 344 . 6 1 1 A 35 35 HIS CA C 35 55.298 59.015 -3.717 1
1 345 . 6 1 1 A 35 35 HIS HA H 35 4.858 4.411 0.447 1
1 346 . 6 1 1 A 35 35 HIS CB C 35 28.597 30.851 -2.254 1
1 352 . 6 1 1 A 35 35 HIS C C 35 175.834 176.121 -0.287 1
1 354 . 6 1 1 A 36 36 THR N N 36 111.637 108.751 2.886 1
1 355 . 6 1 1 A 36 36 THR H H 36 7.791 7.583 0.208 1
1 356 . 6 1 1 A 36 36 THR CA C 36 62.508 61.104 1.404 1
1 357 . 6 1 1 A 36 36 THR HA H 36 4.358 4.256 0.102 1
1 358 . 6 1 1 A 36 36 THR CB C 36 69.805 68.262 1.543 1
1 364 . 6 1 1 A 36 36 THR C C 36 175.472 174.332 1.140 1
1 365 . 6 1 1 A 37 37 GLY N N 37 110.597 110.616 -0.019 1
1 366 . 6 1 1 A 37 37 GLY H H 37 8.215 8.214 0.001 1
1 367 . 6 1 1 A 37 37 GLY CA C 37 45.345 46.110 -0.765 1
1 368 . 6 1 1 A 37 37 GLY HA3 H 37 3.941 3.991 -0.050 1
1 369 . 6 1 1 A 37 37 GLY C C 37 174.037 174.134 -0.097 1
1 370 . 6 1 1 A 37 37 GLY HA2 H 37 4.036 3.987 0.049 1
1 371 . 6 1 1 A 38 38 GLU N N 38 120.595 118.776 1.819 1
1 372 . 6 1 1 A 38 38 GLU H H 38 8.082 8.245 -0.163 1
1 373 . 6 1 1 A 38 38 GLU CA C 38 56.438 55.495 0.943 1
1 374 . 6 1 1 A 38 38 GLU HA H 38 4.244 4.437 -0.193 1
1 375 . 6 1 1 A 38 38 GLU CB C 38 30.533 28.823 1.710 1
1 379 . 6 1 1 A 38 38 GLU C C 38 176.198 175.086 1.112 1
1 382 . 6 1 1 A 39 39 LYS N N 39 123.862 125.569 -1.707 1
1 383 . 6 1 1 A 39 39 LYS H H 39 8.413 8.563 -0.150 1
1 384 . 6 1 1 A 39 39 LYS CA C 39 54.115 53.347 0.768 1
1 385 . 6 1 1 A 39 39 LYS HA H 39 4.602 4.839 -0.237 1
1 386 . 6 1 1 A 39 39 LYS CB C 39 32.503 35.420 -2.917 1
1 394 . 6 1 1 A 39 39 LYS C C 39 174.491 174.764 -0.273 1
1 399 . 6 1 1 A 40 40 PRO CA C 40 63.230 62.240 0.990 1
1 400 . 6 1 1 A 40 40 PRO HA H 40 4.457 4.714 -0.257 1
1 401 . 6 1 1 A 40 40 PRO CB C 40 32.215 29.906 2.309 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.404 43.493 1.911 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.019 4.364 -0.345 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.534 174.726 -0.192 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 4.019 4.360 -0.341 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.887 113.181 -0.294 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.161 8.232 -0.071 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.885 64.348 -2.463 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.366 4.367 -0.001 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.813 69.613 0.200 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.242 175.295 -0.053 1
1 16 . 7 1 1 A 9 9 GLY N N 9 110.959 108.662 2.297 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.457 7.731 0.726 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.259 45.216 0.043 1
1 19 . 7 1 1 A 9 9 GLY HA3 H 9 3.931 4.004 -0.073 1
1 20 . 7 1 1 A 9 9 GLY C C 9 174.041 172.248 1.793 1
1 21 . 7 1 1 A 9 9 GLY HA2 H 9 3.931 4.004 -0.073 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.453 122.548 -2.095 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.222 8.664 -0.442 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.686 54.697 1.989 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.229 4.994 -0.765 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.533 33.442 -2.909 1
1 30 . 7 1 1 A 10 10 GLU C C 10 176.213 175.257 0.956 1
1 33 . 7 1 1 A 11 11 LYS N N 11 122.472 125.376 -2.904 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.251 8.803 -0.552 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 53.888 53.928 -0.040 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.524 4.683 -0.159 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 32.818 32.492 0.326 1
1 45 . 7 1 1 A 11 11 LYS C C 11 173.839 176.354 -2.515 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 62.929 64.008 -1.079 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.338 4.421 -0.083 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.388 31.352 1.036 1
1 58 . 7 1 1 A 12 12 PRO C C 12 176.346 175.808 0.538 1
1 62 . 7 1 1 A 13 13 TYR N N 13 119.836 119.154 0.682 1
1 63 . 7 1 1 A 13 13 TYR H H 13 8.099 7.671 0.428 1
1 64 . 7 1 1 A 13 13 TYR CA C 13 57.638 56.611 1.027 1
1 65 . 7 1 1 A 13 13 TYR HA H 13 4.565 5.141 -0.576 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.246 39.518 -1.272 1
1 76 . 7 1 1 A 13 13 TYR C C 13 174.063 174.198 -0.135 1
1 78 . 7 1 1 A 14 14 LYS N N 14 125.222 125.224 -0.002 1
1 79 . 7 1 1 A 14 14 LYS H H 14 8.437 8.991 -0.554 1
1 80 . 7 1 1 A 14 14 LYS CA C 14 54.846 54.627 0.219 1
1 81 . 7 1 1 A 14 14 LYS HA H 14 5.044 5.173 -0.129 1
1 82 . 7 1 1 A 14 14 LYS CB C 14 36.065 36.044 0.021 1
1 90 . 7 1 1 A 14 14 LYS C C 14 174.999 175.459 -0.460 1
1 95 . 7 1 1 A 15 15 CYS N N 15 127.756 124.986 2.770 1
1 96 . 7 1 1 A 15 15 CYS H H 15 9.327 9.054 0.273 1
1 97 . 7 1 1 A 15 15 CYS CA C 15 59.366 60.430 -1.064 1
1 98 . 7 1 1 A 15 15 CYS HA H 15 4.576 4.577 -0.001 1
1 99 . 7 1 1 A 15 15 CYS CB C 15 29.545 28.419 1.126 1
1 101 . 7 1 1 A 15 15 CYS C C 15 176.864 175.980 0.884 1
1 103 . 7 1 1 A 16 16 ASN N N 16 130.374 126.961 3.413 1
1 104 . 7 1 1 A 16 16 ASN H H 16 9.432 9.003 0.429 1
1 105 . 7 1 1 A 16 16 ASN CA C 16 55.639 52.234 3.405 1
1 106 . 7 1 1 A 16 16 ASN HA H 16 4.517 4.951 -0.434 1
1 107 . 7 1 1 A 16 16 ASN CB C 16 38.395 38.824 -0.429 1
1 112 . 7 1 1 A 16 16 ASN C C 16 175.480 176.049 -0.569 1
1 114 . 7 1 1 A 17 17 GLU N N 17 120.722 119.098 1.624 1
1 115 . 7 1 1 A 17 17 GLU H H 17 8.665 7.640 1.025 1
1 116 . 7 1 1 A 17 17 GLU CA C 17 58.443 57.330 1.113 1
1 117 . 7 1 1 A 17 17 GLU HA H 17 4.213 4.260 -0.047 1
1 118 . 7 1 1 A 17 17 GLU CB C 17 29.431 29.924 -0.493 1
1 122 . 7 1 1 A 17 17 GLU C C 17 177.092 177.774 -0.682 1
1 125 . 7 1 1 A 18 18 CYS N N 18 114.544 114.572 -0.028 1
1 126 . 7 1 1 A 18 18 CYS H H 18 7.925 7.945 -0.020 1
1 127 . 7 1 1 A 18 18 CYS CA C 18 58.372 59.382 -1.010 1
1 128 . 7 1 1 A 18 18 CYS HA H 18 5.179 4.726 0.453 1
1 129 . 7 1 1 A 18 18 CYS CB C 18 32.404 30.341 2.063 1
1 131 . 7 1 1 A 18 18 CYS C C 18 176.255 175.768 0.487 1
1 133 . 7 1 1 A 19 19 GLY N N 19 113.579 109.881 3.698 1
1 134 . 7 1 1 A 19 19 GLY H H 19 8.223 8.095 0.128 1
1 135 . 7 1 1 A 19 19 GLY CA C 19 46.317 45.010 1.307 1
1 136 . 7 1 1 A 19 19 GLY HA3 H 19 4.247 4.088 0.159 1
1 137 . 7 1 1 A 19 19 GLY C C 19 173.572 174.734 -1.162 1
1 138 . 7 1 1 A 19 19 GLY HA2 H 19 3.732 4.079 -0.347 1
1 139 . 7 1 1 A 20 20 LYS N N 20 122.482 120.174 2.308 1
1 140 . 7 1 1 A 20 20 LYS H H 20 7.873 7.369 0.504 1
1 141 . 7 1 1 A 20 20 LYS CA C 20 58.246 56.450 1.796 1
1 142 . 7 1 1 A 20 20 LYS HA H 20 4.002 4.305 -0.303 1
1 143 . 7 1 1 A 20 20 LYS CB C 20 33.912 34.250 -0.338 1
1 151 . 7 1 1 A 20 20 LYS C C 20 174.324 175.077 -0.753 1
1 156 . 7 1 1 A 21 21 VAL N N 21 116.394 119.561 -3.167 1
1 157 . 7 1 1 A 21 21 VAL H H 21 7.573 7.915 -0.342 1
1 158 . 7 1 1 A 21 21 VAL CA C 21 60.262 60.559 -0.297 1
1 159 . 7 1 1 A 21 21 VAL HA H 21 4.816 4.942 -0.126 1
1 160 . 7 1 1 A 21 21 VAL CB C 21 33.936 36.115 -2.179 1
1 170 . 7 1 1 A 21 21 VAL C C 21 175.317 174.150 1.167 1
1 171 . 7 1 1 A 22 22 PHE N N 22 120.431 124.716 -4.285 1
1 172 . 7 1 1 A 22 22 PHE H H 22 8.792 9.282 -0.490 1
1 173 . 7 1 1 A 22 22 PHE CA C 22 56.890 56.812 0.078 1
1 174 . 7 1 1 A 22 22 PHE HA H 22 4.824 4.959 -0.135 1
1 175 . 7 1 1 A 22 22 PHE CB C 22 44.119 43.805 0.314 1
1 187 . 7 1 1 A 22 22 PHE C C 22 175.683 175.385 0.298 1
1 189 . 7 1 1 A 23 23 ARG N N 23 119.340 122.248 -2.908 1
1 190 . 7 1 1 A 23 23 ARG H H 23 9.329 9.061 0.268 1
1 191 . 7 1 1 A 23 23 ARG CA C 23 57.346 57.844 -0.498 1
1 192 . 7 1 1 A 23 23 ARG HA H 23 4.466 4.448 0.018 1
1 193 . 7 1 1 A 23 23 ARG CB C 23 31.371 31.441 -0.070 1
1 199 . 7 1 1 A 23 23 ARG C C 23 175.065 175.886 -0.821 1
1 203 . 7 1 1 A 24 24 HIS N N 24 113.216 117.556 -4.340 1
1 204 . 7 1 1 A 24 24 HIS H H 24 7.128 8.309 -1.181 1
1 205 . 7 1 1 A 24 24 HIS CA C 24 55.437 54.748 0.689 1
1 206 . 7 1 1 A 24 24 HIS HA H 24 4.657 4.646 0.011 1
1 207 . 7 1 1 A 24 24 HIS CB C 24 34.517 31.674 2.843 1
1 213 . 7 1 1 A 24 24 HIS C C 24 175.558 175.286 0.272 1
1 215 . 7 1 1 A 25 25 ASN CA C 25 56.177 56.399 -0.222 1
1 216 . 7 1 1 A 25 25 ASN HA H 25 3.662 3.787 -0.125 1
1 217 . 7 1 1 A 25 25 ASN CB C 25 38.311 38.562 -0.251 1
1 223 . 7 1 1 A 26 26 SER CA C 26 61.298 61.570 -0.272 1
1 224 . 7 1 1 A 26 26 SER HA H 26 4.085 3.986 0.099 1
1 225 . 7 1 1 A 26 26 SER CB C 26 61.728 62.928 -1.200 1
1 227 . 7 1 1 A 26 26 SER C C 26 177.140 176.703 0.437 1
1 229 . 7 1 1 A 27 27 TYR N N 27 121.463 119.607 1.856 1
1 230 . 7 1 1 A 27 27 TYR H H 27 6.951 7.846 -0.895 1
1 231 . 7 1 1 A 27 27 TYR CA C 27 58.633 60.540 -1.907 1
1 232 . 7 1 1 A 27 27 TYR HA H 27 4.342 4.319 0.023 1
1 233 . 7 1 1 A 27 27 TYR CB C 27 37.464 37.815 -0.351 1
1 243 . 7 1 1 A 27 27 TYR C C 27 178.472 178.042 0.430 1
1 245 . 7 1 1 A 28 28 LEU N N 28 122.153 121.455 0.698 1
1 246 . 7 1 1 A 28 28 LEU H H 28 7.064 7.840 -0.776 1
1 247 . 7 1 1 A 28 28 LEU CA C 28 58.022 57.462 0.560 1
1 248 . 7 1 1 A 28 28 LEU HA H 28 3.260 2.882 0.378 1
1 249 . 7 1 1 A 28 28 LEU CB C 28 40.390 41.218 -0.828 1
1 261 . 7 1 1 A 28 28 LEU C C 28 177.619 178.647 -1.028 1
1 263 . 7 1 1 A 29 29 SER N N 29 114.652 114.911 -0.259 1
1 264 . 7 1 1 A 29 29 SER H H 29 8.415 8.238 0.177 1
1 265 . 7 1 1 A 29 29 SER CA C 29 61.724 61.478 0.246 1
1 266 . 7 1 1 A 29 29 SER HA H 29 4.222 4.056 0.166 1
1 267 . 7 1 1 A 29 29 SER CB C 29 62.466 62.905 -0.439 1
1 269 . 7 1 1 A 29 29 SER C C 29 177.182 177.408 -0.226 1
1 271 . 7 1 1 A 30 30 ARG N N 30 119.728 120.893 -1.165 1
1 272 . 7 1 1 A 30 30 ARG H H 30 7.390 7.990 -0.600 1
1 273 . 7 1 1 A 30 30 ARG CA C 30 59.144 58.600 0.544 1
1 274 . 7 1 1 A 30 30 ARG HA H 30 3.997 4.139 -0.142 1
1 275 . 7 1 1 A 30 30 ARG CB C 30 30.280 30.206 0.074 1
1 281 . 7 1 1 A 30 30 ARG C C 30 178.647 178.359 0.288 1
1 285 . 7 1 1 A 31 31 HIS N N 31 119.367 121.542 -2.175 1
1 286 . 7 1 1 A 31 31 HIS H H 31 7.628 7.990 -0.362 1
1 287 . 7 1 1 A 31 31 HIS CA C 31 59.077 58.932 0.145 1
1 288 . 7 1 1 A 31 31 HIS HA H 31 4.224 4.194 0.030 1
1 289 . 7 1 1 A 31 31 HIS CB C 31 28.526 30.181 -1.655 1
1 295 . 7 1 1 A 31 31 HIS C C 31 176.140 177.060 -0.920 1
1 297 . 7 1 1 A 32 32 GLN N N 32 115.298 117.664 -2.366 1
1 298 . 7 1 1 A 32 32 GLN H H 32 8.337 8.231 0.106 1
1 299 . 7 1 1 A 32 32 GLN CA C 32 59.342 59.182 0.160 1
1 300 . 7 1 1 A 32 32 GLN HA H 32 3.709 3.836 -0.127 1
1 301 . 7 1 1 A 32 32 GLN CB C 32 28.352 28.278 0.074 1
1 310 . 7 1 1 A 33 33 ARG N N 33 117.159 120.110 -2.951 1
1 311 . 7 1 1 A 33 33 ARG H H 33 7.099 7.636 -0.537 1
1 312 . 7 1 1 A 33 33 ARG CA C 33 58.300 58.924 -0.624 1
1 313 . 7 1 1 A 33 33 ARG HA H 33 4.144 4.140 0.004 1
1 314 . 7 1 1 A 33 33 ARG CB C 33 30.024 29.906 0.118 1
1 320 . 7 1 1 A 33 33 ARG C C 33 178.505 178.757 -0.252 1
1 324 . 7 1 1 A 34 34 ILE N N 34 116.468 117.331 -0.863 1
1 325 . 7 1 1 A 34 34 ILE H H 34 7.818 7.769 0.049 1
1 326 . 7 1 1 A 34 34 ILE CA C 34 63.072 63.414 -0.342 1
1 327 . 7 1 1 A 34 34 ILE HA H 34 3.975 3.766 0.209 1
1 328 . 7 1 1 A 34 34 ILE CB C 34 37.673 37.350 0.323 1
1 340 . 7 1 1 A 34 34 ILE C C 34 177.406 177.168 0.238 1
1 342 . 7 1 1 A 35 35 HIS N N 35 117.692 119.054 -1.362 1
1 343 . 7 1 1 A 35 35 HIS H H 35 7.220 7.905 -0.685 1
1 344 . 7 1 1 A 35 35 HIS CA C 35 55.298 57.105 -1.807 1
1 345 . 7 1 1 A 35 35 HIS HA H 35 4.858 4.522 0.336 1
1 346 . 7 1 1 A 35 35 HIS CB C 35 28.597 31.693 -3.096 1
1 352 . 7 1 1 A 35 35 HIS C C 35 175.834 175.254 0.580 1
1 354 . 7 1 1 A 36 36 THR N N 36 111.637 111.074 0.563 1
1 355 . 7 1 1 A 36 36 THR H H 36 7.791 8.379 -0.588 1
1 356 . 7 1 1 A 36 36 THR CA C 36 62.508 59.538 2.970 1
1 357 . 7 1 1 A 36 36 THR HA H 36 4.358 4.733 -0.375 1
1 358 . 7 1 1 A 36 36 THR CB C 36 69.805 71.375 -1.570 1
1 364 . 7 1 1 A 36 36 THR C C 36 175.472 173.149 2.323 1
1 365 . 7 1 1 A 37 37 GLY N N 37 110.597 113.607 -3.010 1
1 366 . 7 1 1 A 37 37 GLY H H 37 8.215 8.163 0.052 1
1 367 . 7 1 1 A 37 37 GLY CA C 37 45.345 45.155 0.190 1
1 368 . 7 1 1 A 37 37 GLY HA3 H 37 3.941 4.170 -0.229 1
1 369 . 7 1 1 A 37 37 GLY C C 37 174.037 172.565 1.472 1
1 370 . 7 1 1 A 37 37 GLY HA2 H 37 4.036 4.164 -0.128 1
1 371 . 7 1 1 A 38 38 GLU N N 38 120.595 124.135 -3.540 1
1 372 . 7 1 1 A 38 38 GLU H H 38 8.082 8.342 -0.260 1
1 373 . 7 1 1 A 38 38 GLU CA C 38 56.438 56.373 0.065 1
1 374 . 7 1 1 A 38 38 GLU HA H 38 4.244 4.404 -0.160 1
1 375 . 7 1 1 A 38 38 GLU CB C 38 30.533 30.258 0.275 1
1 379 . 7 1 1 A 38 38 GLU C C 38 176.198 176.120 0.078 1
1 382 . 7 1 1 A 39 39 LYS N N 39 123.862 125.997 -2.135 1
1 383 . 7 1 1 A 39 39 LYS H H 39 8.413 8.703 -0.290 1
1 384 . 7 1 1 A 39 39 LYS CA C 39 54.115 54.169 -0.054 1
1 385 . 7 1 1 A 39 39 LYS HA H 39 4.602 4.521 0.081 1
1 386 . 7 1 1 A 39 39 LYS CB C 39 32.503 33.532 -1.029 1
1 394 . 7 1 1 A 39 39 LYS C C 39 174.491 175.356 -0.865 1
1 399 . 7 1 1 A 40 40 PRO CA C 40 63.230 62.699 0.531 1
1 400 . 7 1 1 A 40 40 PRO HA H 40 4.457 4.840 -0.383 1
1 401 . 7 1 1 A 40 40 PRO CB C 40 32.215 32.513 -0.298 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.404 45.280 0.124 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.019 3.990 0.029 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.534 173.201 1.333 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 4.019 3.981 0.038 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.887 112.628 0.259 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.161 8.356 -0.195 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.885 60.779 1.106 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.366 4.689 -0.323 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.813 70.793 -0.980 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.242 174.625 0.617 1
1 16 . 8 1 1 A 9 9 GLY N N 9 110.959 109.418 1.541 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.457 8.287 0.170 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.259 45.685 -0.426 1
1 19 . 8 1 1 A 9 9 GLY HA3 H 9 3.931 4.073 -0.142 1
1 20 . 8 1 1 A 9 9 GLY C C 9 174.041 175.064 -1.023 1
1 21 . 8 1 1 A 9 9 GLY HA2 H 9 3.931 4.068 -0.137 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.453 119.658 0.795 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.222 8.325 -0.103 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.686 57.427 -0.741 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.229 3.976 0.253 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.533 28.419 2.114 1
1 30 . 8 1 1 A 10 10 GLU C C 10 176.213 175.230 0.983 1
1 33 . 8 1 1 A 11 11 LYS N N 11 122.472 119.913 2.559 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.251 8.152 0.099 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 53.888 53.806 0.082 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.524 4.672 -0.148 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 32.818 32.350 0.468 1
1 45 . 8 1 1 A 11 11 LYS C C 11 173.839 176.274 -2.435 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 62.929 64.011 -1.082 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.338 4.349 -0.011 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.388 31.350 1.038 1
1 58 . 8 1 1 A 12 12 PRO C C 12 176.346 175.712 0.634 1
1 62 . 8 1 1 A 13 13 TYR N N 13 119.836 118.878 0.958 1
1 63 . 8 1 1 A 13 13 TYR H H 13 8.099 7.577 0.522 1
1 64 . 8 1 1 A 13 13 TYR CA C 13 57.638 56.446 1.192 1
1 65 . 8 1 1 A 13 13 TYR HA H 13 4.565 5.282 -0.717 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.246 40.004 -1.758 1
1 76 . 8 1 1 A 13 13 TYR C C 13 174.063 174.126 -0.063 1
1 78 . 8 1 1 A 14 14 LYS N N 14 125.222 125.189 0.033 1
1 79 . 8 1 1 A 14 14 LYS H H 14 8.437 8.983 -0.546 1
1 80 . 8 1 1 A 14 14 LYS CA C 14 54.846 54.671 0.175 1
1 81 . 8 1 1 A 14 14 LYS HA H 14 5.044 5.260 -0.216 1
1 82 . 8 1 1 A 14 14 LYS CB C 14 36.065 36.422 -0.357 1
1 90 . 8 1 1 A 14 14 LYS C C 14 174.999 174.927 0.072 1
1 95 . 8 1 1 A 15 15 CYS N N 15 127.756 124.709 3.047 1
1 96 . 8 1 1 A 15 15 CYS H H 15 9.327 9.582 -0.255 1
1 97 . 8 1 1 A 15 15 CYS CA C 15 59.366 59.967 -0.601 1
1 98 . 8 1 1 A 15 15 CYS HA H 15 4.576 4.659 -0.083 1
1 99 . 8 1 1 A 15 15 CYS CB C 15 29.545 28.660 0.885 1
1 101 . 8 1 1 A 15 15 CYS C C 15 176.864 174.737 2.127 1
1 103 . 8 1 1 A 16 16 ASN N N 16 130.374 123.484 6.890 1
1 104 . 8 1 1 A 16 16 ASN H H 16 9.432 8.846 0.586 1
1 105 . 8 1 1 A 16 16 ASN CA C 16 55.639 54.239 1.400 1
1 106 . 8 1 1 A 16 16 ASN HA H 16 4.517 4.888 -0.371 1
1 107 . 8 1 1 A 16 16 ASN CB C 16 38.395 39.787 -1.392 1
1 112 . 8 1 1 A 16 16 ASN C C 16 175.480 177.103 -1.623 1
1 114 . 8 1 1 A 17 17 GLU N N 17 120.722 119.664 1.058 1
1 115 . 8 1 1 A 17 17 GLU H H 17 8.665 8.051 0.614 1
1 116 . 8 1 1 A 17 17 GLU CA C 17 58.443 58.739 -0.296 1
1 117 . 8 1 1 A 17 17 GLU HA H 17 4.213 3.888 0.325 1
1 118 . 8 1 1 A 17 17 GLU CB C 17 29.431 28.403 1.028 1
1 122 . 8 1 1 A 17 17 GLU C C 17 177.092 177.896 -0.804 1
1 125 . 8 1 1 A 18 18 CYS N N 18 114.544 115.241 -0.697 1
1 126 . 8 1 1 A 18 18 CYS H H 18 7.925 7.812 0.113 1
1 127 . 8 1 1 A 18 18 CYS CA C 18 58.372 59.646 -1.274 1
1 128 . 8 1 1 A 18 18 CYS HA H 18 5.179 4.625 0.554 1
1 129 . 8 1 1 A 18 18 CYS CB C 18 32.404 29.688 2.716 1
1 131 . 8 1 1 A 18 18 CYS C C 18 176.255 175.570 0.685 1
1 133 . 8 1 1 A 19 19 GLY N N 19 113.579 110.395 3.184 1
1 134 . 8 1 1 A 19 19 GLY H H 19 8.223 8.302 -0.079 1
1 135 . 8 1 1 A 19 19 GLY CA C 19 46.317 45.548 0.769 1
1 136 . 8 1 1 A 19 19 GLY HA3 H 19 4.247 3.975 0.272 1
1 137 . 8 1 1 A 19 19 GLY C C 19 173.572 174.259 -0.687 1
1 138 . 8 1 1 A 19 19 GLY HA2 H 19 3.732 3.967 -0.235 1
1 139 . 8 1 1 A 20 20 LYS N N 20 122.482 119.033 3.449 1
1 140 . 8 1 1 A 20 20 LYS H H 20 7.873 7.451 0.422 1
1 141 . 8 1 1 A 20 20 LYS CA C 20 58.246 54.770 3.476 1
1 142 . 8 1 1 A 20 20 LYS HA H 20 4.002 4.596 -0.594 1
1 143 . 8 1 1 A 20 20 LYS CB C 20 33.912 34.227 -0.315 1
1 151 . 8 1 1 A 20 20 LYS C C 20 174.324 175.688 -1.364 1
1 156 . 8 1 1 A 21 21 VAL N N 21 116.394 119.875 -3.481 1
1 157 . 8 1 1 A 21 21 VAL H H 21 7.573 8.180 -0.607 1
1 158 . 8 1 1 A 21 21 VAL CA C 21 60.262 60.244 0.018 1
1 159 . 8 1 1 A 21 21 VAL HA H 21 4.816 5.002 -0.186 1
1 160 . 8 1 1 A 21 21 VAL CB C 21 33.936 35.936 -2.000 1
1 170 . 8 1 1 A 21 21 VAL C C 21 175.317 174.325 0.992 1
1 171 . 8 1 1 A 22 22 PHE N N 22 120.431 124.002 -3.571 1
1 172 . 8 1 1 A 22 22 PHE H H 22 8.792 9.000 -0.208 1
1 173 . 8 1 1 A 22 22 PHE CA C 22 56.890 56.660 0.230 1
1 174 . 8 1 1 A 22 22 PHE HA H 22 4.824 5.064 -0.240 1
1 175 . 8 1 1 A 22 22 PHE CB C 22 44.119 43.858 0.261 1
1 187 . 8 1 1 A 22 22 PHE C C 22 175.683 174.892 0.791 1
1 189 . 8 1 1 A 23 23 ARG N N 23 119.340 122.868 -3.528 1
1 190 . 8 1 1 A 23 23 ARG H H 23 9.329 9.008 0.321 1
1 191 . 8 1 1 A 23 23 ARG CA C 23 57.346 55.897 1.449 1
1 192 . 8 1 1 A 23 23 ARG HA H 23 4.466 4.742 -0.276 1
1 193 . 8 1 1 A 23 23 ARG CB C 23 31.371 31.471 -0.100 1
1 199 . 8 1 1 A 23 23 ARG C C 23 175.065 175.488 -0.423 1
1 203 . 8 1 1 A 24 24 HIS N N 24 113.216 118.801 -5.585 1
1 204 . 8 1 1 A 24 24 HIS H H 24 7.128 7.750 -0.622 1
1 205 . 8 1 1 A 24 24 HIS CA C 24 55.437 56.076 -0.639 1
1 206 . 8 1 1 A 24 24 HIS HA H 24 4.657 4.492 0.165 1
1 207 . 8 1 1 A 24 24 HIS CB C 24 34.517 31.746 2.771 1
1 213 . 8 1 1 A 24 24 HIS C C 24 175.558 174.264 1.294 1
1 215 . 8 1 1 A 25 25 ASN CA C 25 56.177 55.690 0.487 1
1 216 . 8 1 1 A 25 25 ASN HA H 25 3.662 3.765 -0.103 1
1 217 . 8 1 1 A 25 25 ASN CB C 25 38.311 38.131 0.180 1
1 223 . 8 1 1 A 26 26 SER CA C 26 61.298 61.235 0.063 1
1 224 . 8 1 1 A 26 26 SER HA H 26 4.085 3.979 0.106 1
1 225 . 8 1 1 A 26 26 SER CB C 26 61.728 63.037 -1.309 1
1 227 . 8 1 1 A 26 26 SER C C 26 177.140 176.678 0.462 1
1 229 . 8 1 1 A 27 27 TYR N N 27 121.463 119.366 2.097 1
1 230 . 8 1 1 A 27 27 TYR H H 27 6.951 7.715 -0.764 1
1 231 . 8 1 1 A 27 27 TYR CA C 27 58.633 61.058 -2.425 1
1 232 . 8 1 1 A 27 27 TYR HA H 27 4.342 4.322 0.020 1
1 233 . 8 1 1 A 27 27 TYR CB C 27 37.464 37.918 -0.454 1
1 243 . 8 1 1 A 27 27 TYR C C 27 178.472 177.866 0.606 1
1 245 . 8 1 1 A 28 28 LEU N N 28 122.153 121.759 0.394 1
1 246 . 8 1 1 A 28 28 LEU H H 28 7.064 7.848 -0.784 1
1 247 . 8 1 1 A 28 28 LEU CA C 28 58.022 57.723 0.299 1
1 248 . 8 1 1 A 28 28 LEU HA H 28 3.260 3.254 0.006 1
1 249 . 8 1 1 A 28 28 LEU CB C 28 40.390 41.259 -0.869 1
1 261 . 8 1 1 A 28 28 LEU C C 28 177.619 178.255 -0.636 1
1 263 . 8 1 1 A 29 29 SER N N 29 114.652 114.687 -0.035 1
1 264 . 8 1 1 A 29 29 SER H H 29 8.415 8.405 0.010 1
1 265 . 8 1 1 A 29 29 SER CA C 29 61.724 61.620 0.104 1
1 266 . 8 1 1 A 29 29 SER HA H 29 4.222 4.003 0.219 1
1 267 . 8 1 1 A 29 29 SER CB C 29 62.466 62.847 -0.381 1
1 269 . 8 1 1 A 29 29 SER C C 29 177.182 177.173 0.009 1
1 271 . 8 1 1 A 30 30 ARG N N 30 119.728 121.673 -1.945 1
1 272 . 8 1 1 A 30 30 ARG H H 30 7.390 7.689 -0.299 1
1 273 . 8 1 1 A 30 30 ARG CA C 30 59.144 59.307 -0.163 1
1 274 . 8 1 1 A 30 30 ARG HA H 30 3.997 4.134 -0.137 1
1 275 . 8 1 1 A 30 30 ARG CB C 30 30.280 29.352 0.928 1
1 281 . 8 1 1 A 30 30 ARG C C 30 178.647 178.369 0.278 1
1 285 . 8 1 1 A 31 31 HIS N N 31 119.367 120.819 -1.452 1
1 286 . 8 1 1 A 31 31 HIS H H 31 7.628 7.878 -0.250 1
1 287 . 8 1 1 A 31 31 HIS CA C 31 59.077 59.620 -0.543 1
1 288 . 8 1 1 A 31 31 HIS HA H 31 4.224 4.231 -0.007 1
1 289 . 8 1 1 A 31 31 HIS CB C 31 28.526 29.857 -1.331 1
1 295 . 8 1 1 A 31 31 HIS C C 31 176.140 177.099 -0.959 1
1 297 . 8 1 1 A 32 32 GLN N N 32 115.298 117.453 -2.155 1
1 298 . 8 1 1 A 32 32 GLN H H 32 8.337 8.509 -0.172 1
1 299 . 8 1 1 A 32 32 GLN CA C 32 59.342 59.089 0.253 1
1 300 . 8 1 1 A 32 32 GLN HA H 32 3.709 3.861 -0.152 1
1 301 . 8 1 1 A 32 32 GLN CB C 32 28.352 28.341 0.011 1
1 310 . 8 1 1 A 33 33 ARG N N 33 117.159 120.100 -2.941 1
1 311 . 8 1 1 A 33 33 ARG H H 33 7.099 8.114 -1.015 1
1 312 . 8 1 1 A 33 33 ARG CA C 33 58.300 59.076 -0.776 1
1 313 . 8 1 1 A 33 33 ARG HA H 33 4.144 4.174 -0.030 1
1 314 . 8 1 1 A 33 33 ARG CB C 33 30.024 29.904 0.120 1
1 320 . 8 1 1 A 33 33 ARG C C 33 178.505 178.709 -0.204 1
1 324 . 8 1 1 A 34 34 ILE N N 34 116.468 117.326 -0.858 1
1 325 . 8 1 1 A 34 34 ILE H H 34 7.818 7.700 0.118 1
1 326 . 8 1 1 A 34 34 ILE CA C 34 63.072 63.644 -0.572 1
1 327 . 8 1 1 A 34 34 ILE HA H 34 3.975 3.717 0.258 1
1 328 . 8 1 1 A 34 34 ILE CB C 34 37.673 37.270 0.403 1
1 340 . 8 1 1 A 34 34 ILE C C 34 177.406 177.485 -0.079 1
1 342 . 8 1 1 A 35 35 HIS N N 35 117.692 120.440 -2.748 1
1 343 . 8 1 1 A 35 35 HIS H H 35 7.220 7.563 -0.343 1
1 344 . 8 1 1 A 35 35 HIS CA C 35 55.298 58.770 -3.472 1
1 345 . 8 1 1 A 35 35 HIS HA H 35 4.858 4.439 0.419 1
1 346 . 8 1 1 A 35 35 HIS CB C 35 28.597 30.905 -2.308 1
1 352 . 8 1 1 A 35 35 HIS C C 35 175.834 178.484 -2.650 1
1 354 . 8 1 1 A 36 36 THR N N 36 111.637 112.635 -0.998 1
1 355 . 8 1 1 A 36 36 THR H H 36 7.791 8.722 -0.931 1
1 356 . 8 1 1 A 36 36 THR CA C 36 62.508 64.797 -2.289 1
1 357 . 8 1 1 A 36 36 THR HA H 36 4.358 4.075 0.283 1
1 358 . 8 1 1 A 36 36 THR CB C 36 69.805 68.431 1.374 1
1 364 . 8 1 1 A 36 36 THR C C 36 175.472 176.971 -1.499 1
1 365 . 8 1 1 A 37 37 GLY N N 37 110.597 110.977 -0.380 1
1 366 . 8 1 1 A 37 37 GLY H H 37 8.215 8.039 0.176 1
1 367 . 8 1 1 A 37 37 GLY CA C 37 45.345 46.722 -1.377 1
1 368 . 8 1 1 A 37 37 GLY HA3 H 37 3.941 3.814 0.127 1
1 369 . 8 1 1 A 37 37 GLY C C 37 174.037 174.683 -0.646 1
1 370 . 8 1 1 A 37 37 GLY HA2 H 37 4.036 3.803 0.233 1
1 371 . 8 1 1 A 38 38 GLU N N 38 120.595 113.623 6.972 1
1 372 . 8 1 1 A 38 38 GLU H H 38 8.082 7.860 0.222 1
1 373 . 8 1 1 A 38 38 GLU CA C 38 56.438 54.892 1.546 1
1 374 . 8 1 1 A 38 38 GLU HA H 38 4.244 4.958 -0.714 1
1 375 . 8 1 1 A 38 38 GLU CB C 38 30.533 32.818 -2.285 1
1 379 . 8 1 1 A 38 38 GLU C C 38 176.198 174.734 1.464 1
1 382 . 8 1 1 A 39 39 LYS N N 39 123.862 124.423 -0.561 1
1 383 . 8 1 1 A 39 39 LYS H H 39 8.413 8.582 -0.169 1
1 384 . 8 1 1 A 39 39 LYS CA C 39 54.115 53.269 0.846 1
1 385 . 8 1 1 A 39 39 LYS HA H 39 4.602 4.787 -0.185 1
1 386 . 8 1 1 A 39 39 LYS CB C 39 32.503 32.101 0.402 1
1 394 . 8 1 1 A 39 39 LYS C C 39 174.491 174.552 -0.061 1
1 399 . 8 1 1 A 40 40 PRO CA C 40 63.230 62.347 0.883 1
1 400 . 8 1 1 A 40 40 PRO HA H 40 4.457 4.555 -0.098 1
1 401 . 8 1 1 A 40 40 PRO CB C 40 32.215 33.310 -1.095 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.404 43.998 1.406 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.019 4.204 -0.185 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.534 172.467 2.067 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 4.019 4.203 -0.184 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.887 115.574 -2.687 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.161 8.532 -0.371 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.885 63.210 -1.325 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.366 4.417 -0.051 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.813 69.323 0.490 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.242 174.512 0.730 1
1 16 . 9 1 1 A 9 9 GLY N N 9 110.959 114.373 -3.414 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.457 8.586 -0.129 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.259 45.065 0.194 1
1 19 . 9 1 1 A 9 9 GLY HA3 H 9 3.931 4.222 -0.291 1
1 20 . 9 1 1 A 9 9 GLY C C 9 174.041 174.586 -0.545 1
1 21 . 9 1 1 A 9 9 GLY HA2 H 9 3.931 4.221 -0.290 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.453 120.603 -0.150 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.222 8.498 -0.276 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.686 56.333 0.353 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.229 4.514 -0.285 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.533 30.775 -0.242 1
1 30 . 9 1 1 A 10 10 GLU C C 10 176.213 176.351 -0.138 1
1 33 . 9 1 1 A 11 11 LYS N N 11 122.472 119.889 2.583 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.251 7.577 0.674 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 53.888 53.060 0.828 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.524 4.700 -0.176 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 32.818 33.806 -0.988 1
1 45 . 9 1 1 A 11 11 LYS C C 11 173.839 176.376 -2.537 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 62.929 63.981 -1.052 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.338 4.383 -0.045 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.388 31.438 0.950 1
1 58 . 9 1 1 A 12 12 PRO C C 12 176.346 175.775 0.571 1
1 62 . 9 1 1 A 13 13 TYR N N 13 119.836 118.943 0.893 1
1 63 . 9 1 1 A 13 13 TYR H H 13 8.099 7.587 0.512 1
1 64 . 9 1 1 A 13 13 TYR CA C 13 57.638 56.581 1.057 1
1 65 . 9 1 1 A 13 13 TYR HA H 13 4.565 5.122 -0.557 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.246 39.654 -1.408 1
1 76 . 9 1 1 A 13 13 TYR C C 13 174.063 174.234 -0.171 1
1 78 . 9 1 1 A 14 14 LYS N N 14 125.222 125.149 0.073 1
1 79 . 9 1 1 A 14 14 LYS H H 14 8.437 8.898 -0.461 1
1 80 . 9 1 1 A 14 14 LYS CA C 14 54.846 54.727 0.119 1
1 81 . 9 1 1 A 14 14 LYS HA H 14 5.044 5.173 -0.129 1
1 82 . 9 1 1 A 14 14 LYS CB C 14 36.065 36.486 -0.421 1
1 90 . 9 1 1 A 14 14 LYS C C 14 174.999 175.021 -0.022 1
1 95 . 9 1 1 A 15 15 CYS N N 15 127.756 124.964 2.792 1
1 96 . 9 1 1 A 15 15 CYS H H 15 9.327 9.478 -0.151 1
1 97 . 9 1 1 A 15 15 CYS CA C 15 59.366 59.867 -0.501 1
1 98 . 9 1 1 A 15 15 CYS HA H 15 4.576 4.504 0.072 1
1 99 . 9 1 1 A 15 15 CYS CB C 15 29.545 28.321 1.224 1
1 101 . 9 1 1 A 15 15 CYS C C 15 176.864 174.889 1.975 1
1 103 . 9 1 1 A 16 16 ASN N N 16 130.374 125.106 5.268 1
1 104 . 9 1 1 A 16 16 ASN H H 16 9.432 8.851 0.581 1
1 105 . 9 1 1 A 16 16 ASN CA C 16 55.639 54.083 1.556 1
1 106 . 9 1 1 A 16 16 ASN HA H 16 4.517 4.811 -0.294 1
1 107 . 9 1 1 A 16 16 ASN CB C 16 38.395 39.271 -0.876 1
1 112 . 9 1 1 A 16 16 ASN C C 16 175.480 177.068 -1.588 1
1 114 . 9 1 1 A 17 17 GLU N N 17 120.722 120.623 0.099 1
1 115 . 9 1 1 A 17 17 GLU H H 17 8.665 7.718 0.947 1
1 116 . 9 1 1 A 17 17 GLU CA C 17 58.443 59.026 -0.583 1
1 117 . 9 1 1 A 17 17 GLU HA H 17 4.213 4.022 0.191 1
1 118 . 9 1 1 A 17 17 GLU CB C 17 29.431 29.304 0.127 1
1 122 . 9 1 1 A 17 17 GLU C C 17 177.092 178.125 -1.033 1
1 125 . 9 1 1 A 18 18 CYS N N 18 114.544 114.959 -0.415 1
1 126 . 9 1 1 A 18 18 CYS H H 18 7.925 7.983 -0.058 1
1 127 . 9 1 1 A 18 18 CYS CA C 18 58.372 59.616 -1.244 1
1 128 . 9 1 1 A 18 18 CYS HA H 18 5.179 4.756 0.423 1
1 129 . 9 1 1 A 18 18 CYS CB C 18 32.404 30.017 2.387 1
1 131 . 9 1 1 A 18 18 CYS C C 18 176.255 175.525 0.730 1
1 133 . 9 1 1 A 19 19 GLY N N 19 113.579 109.949 3.630 1
1 134 . 9 1 1 A 19 19 GLY H H 19 8.223 8.021 0.202 1
1 135 . 9 1 1 A 19 19 GLY CA C 19 46.317 45.274 1.043 1
1 136 . 9 1 1 A 19 19 GLY HA3 H 19 4.247 4.063 0.184 1
1 137 . 9 1 1 A 19 19 GLY C C 19 173.572 174.615 -1.043 1
1 138 . 9 1 1 A 19 19 GLY HA2 H 19 3.732 4.057 -0.325 1
1 139 . 9 1 1 A 20 20 LYS N N 20 122.482 121.274 1.208 1
1 140 . 9 1 1 A 20 20 LYS H H 20 7.873 7.525 0.348 1
1 141 . 9 1 1 A 20 20 LYS CA C 20 58.246 57.440 0.806 1
1 142 . 9 1 1 A 20 20 LYS HA H 20 4.002 4.172 -0.170 1
1 143 . 9 1 1 A 20 20 LYS CB C 20 33.912 33.005 0.907 1
1 151 . 9 1 1 A 20 20 LYS C C 20 174.324 175.426 -1.102 1
1 156 . 9 1 1 A 21 21 VAL N N 21 116.394 122.996 -6.602 1
1 157 . 9 1 1 A 21 21 VAL H H 21 7.573 8.406 -0.833 1
1 158 . 9 1 1 A 21 21 VAL CA C 21 60.262 61.081 -0.819 1
1 159 . 9 1 1 A 21 21 VAL HA H 21 4.816 5.080 -0.264 1
1 160 . 9 1 1 A 21 21 VAL CB C 21 33.936 34.204 -0.268 1
1 170 . 9 1 1 A 21 21 VAL C C 21 175.317 174.816 0.501 1
1 171 . 9 1 1 A 22 22 PHE N N 22 120.431 123.786 -3.355 1
1 172 . 9 1 1 A 22 22 PHE H H 22 8.792 8.934 -0.142 1
1 173 . 9 1 1 A 22 22 PHE CA C 22 56.890 56.464 0.426 1
1 174 . 9 1 1 A 22 22 PHE HA H 22 4.824 4.973 -0.149 1
1 175 . 9 1 1 A 22 22 PHE CB C 22 44.119 43.458 0.661 1
1 187 . 9 1 1 A 22 22 PHE C C 22 175.683 175.639 0.044 1
1 189 . 9 1 1 A 23 23 ARG N N 23 119.340 122.973 -3.633 1
1 190 . 9 1 1 A 23 23 ARG H H 23 9.329 8.981 0.348 1
1 191 . 9 1 1 A 23 23 ARG CA C 23 57.346 58.158 -0.812 1
1 192 . 9 1 1 A 23 23 ARG HA H 23 4.466 4.410 0.056 1
1 193 . 9 1 1 A 23 23 ARG CB C 23 31.371 31.252 0.119 1
1 199 . 9 1 1 A 23 23 ARG C C 23 175.065 175.476 -0.411 1
1 203 . 9 1 1 A 24 24 HIS N N 24 113.216 117.210 -3.994 1
1 204 . 9 1 1 A 24 24 HIS H H 24 7.128 8.315 -1.187 1
1 205 . 9 1 1 A 24 24 HIS CA C 24 55.437 54.336 1.101 1
1 206 . 9 1 1 A 24 24 HIS HA H 24 4.657 4.683 -0.026 1
1 207 . 9 1 1 A 24 24 HIS CB C 24 34.517 31.739 2.778 1
1 213 . 9 1 1 A 24 24 HIS C C 24 175.558 174.875 0.683 1
1 215 . 9 1 1 A 25 25 ASN CA C 25 56.177 56.109 0.068 1
1 216 . 9 1 1 A 25 25 ASN HA H 25 3.662 3.791 -0.129 1
1 217 . 9 1 1 A 25 25 ASN CB C 25 38.311 38.185 0.126 1
1 223 . 9 1 1 A 26 26 SER CA C 26 61.298 62.222 -0.924 1
1 224 . 9 1 1 A 26 26 SER HA H 26 4.085 4.046 0.039 1
1 225 . 9 1 1 A 26 26 SER CB C 26 61.728 62.773 -1.045 1
1 227 . 9 1 1 A 26 26 SER C C 26 177.140 176.260 0.880 1
1 229 . 9 1 1 A 27 27 TYR N N 27 121.463 119.894 1.569 1
1 230 . 9 1 1 A 27 27 TYR H H 27 6.951 7.854 -0.903 1
1 231 . 9 1 1 A 27 27 TYR CA C 27 58.633 61.415 -2.782 1
1 232 . 9 1 1 A 27 27 TYR HA H 27 4.342 4.348 -0.006 1
1 233 . 9 1 1 A 27 27 TYR CB C 27 37.464 38.290 -0.826 1
1 243 . 9 1 1 A 27 27 TYR C C 27 178.472 178.208 0.264 1
1 245 . 9 1 1 A 28 28 LEU N N 28 122.153 121.245 0.908 1
1 246 . 9 1 1 A 28 28 LEU H H 28 7.064 7.681 -0.617 1
1 247 . 9 1 1 A 28 28 LEU CA C 28 58.022 57.567 0.455 1
1 248 . 9 1 1 A 28 28 LEU HA H 28 3.260 2.893 0.367 1
1 249 . 9 1 1 A 28 28 LEU CB C 28 40.390 41.059 -0.669 1
1 261 . 9 1 1 A 28 28 LEU C C 28 177.619 178.511 -0.892 1
1 263 . 9 1 1 A 29 29 SER N N 29 114.652 114.564 0.088 1
1 264 . 9 1 1 A 29 29 SER H H 29 8.415 8.396 0.019 1
1 265 . 9 1 1 A 29 29 SER CA C 29 61.724 61.589 0.135 1
1 266 . 9 1 1 A 29 29 SER HA H 29 4.222 3.972 0.250 1
1 267 . 9 1 1 A 29 29 SER CB C 29 62.466 62.820 -0.354 1
1 269 . 9 1 1 A 29 29 SER C C 29 177.182 177.228 -0.046 1
1 271 . 9 1 1 A 30 30 ARG N N 30 119.728 121.698 -1.970 1
1 272 . 9 1 1 A 30 30 ARG H H 30 7.390 7.401 -0.011 1
1 273 . 9 1 1 A 30 30 ARG CA C 30 59.144 59.607 -0.463 1
1 274 . 9 1 1 A 30 30 ARG HA H 30 3.997 4.071 -0.074 1
1 275 . 9 1 1 A 30 30 ARG CB C 30 30.280 29.906 0.374 1
1 281 . 9 1 1 A 30 30 ARG C C 30 178.647 178.584 0.063 1
1 285 . 9 1 1 A 31 31 HIS N N 31 119.367 120.093 -0.726 1
1 286 . 9 1 1 A 31 31 HIS H H 31 7.628 7.999 -0.371 1
1 287 . 9 1 1 A 31 31 HIS CA C 31 59.077 59.724 -0.647 1
1 288 . 9 1 1 A 31 31 HIS HA H 31 4.224 4.315 -0.091 1
1 289 . 9 1 1 A 31 31 HIS CB C 31 28.526 30.085 -1.559 1
1 295 . 9 1 1 A 31 31 HIS C C 31 176.140 177.036 -0.896 1
1 297 . 9 1 1 A 32 32 GLN N N 32 115.298 117.380 -2.082 1
1 298 . 9 1 1 A 32 32 GLN H H 32 8.337 8.572 -0.235 1
1 299 . 9 1 1 A 32 32 GLN CA C 32 59.342 59.111 0.231 1
1 300 . 9 1 1 A 32 32 GLN HA H 32 3.709 3.721 -0.012 1
1 301 . 9 1 1 A 32 32 GLN CB C 32 28.352 28.273 0.079 1
1 310 . 9 1 1 A 33 33 ARG N N 33 117.159 120.050 -2.891 1
1 311 . 9 1 1 A 33 33 ARG H H 33 7.099 8.139 -1.040 1
1 312 . 9 1 1 A 33 33 ARG CA C 33 58.300 59.018 -0.718 1
1 313 . 9 1 1 A 33 33 ARG HA H 33 4.144 3.965 0.179 1
1 314 . 9 1 1 A 33 33 ARG CB C 33 30.024 29.925 0.099 1
1 320 . 9 1 1 A 33 33 ARG C C 33 178.505 178.844 -0.339 1
1 324 . 9 1 1 A 34 34 ILE N N 34 116.468 117.424 -0.956 1
1 325 . 9 1 1 A 34 34 ILE H H 34 7.818 7.904 -0.086 1
1 326 . 9 1 1 A 34 34 ILE CA C 34 63.072 63.664 -0.592 1
1 327 . 9 1 1 A 34 34 ILE HA H 34 3.975 3.788 0.187 1
1 328 . 9 1 1 A 34 34 ILE CB C 34 37.673 37.373 0.300 1
1 340 . 9 1 1 A 34 34 ILE C C 34 177.406 177.395 0.011 1
1 342 . 9 1 1 A 35 35 HIS N N 35 117.692 120.554 -2.862 1
1 343 . 9 1 1 A 35 35 HIS H H 35 7.220 7.711 -0.491 1
1 344 . 9 1 1 A 35 35 HIS CA C 35 55.298 58.559 -3.261 1
1 345 . 9 1 1 A 35 35 HIS HA H 35 4.858 4.459 0.399 1
1 346 . 9 1 1 A 35 35 HIS CB C 35 28.597 30.380 -1.783 1
1 352 . 9 1 1 A 35 35 HIS C C 35 175.834 177.352 -1.518 1
1 354 . 9 1 1 A 36 36 THR N N 36 111.637 112.536 -0.899 1
1 355 . 9 1 1 A 36 36 THR H H 36 7.791 8.120 -0.329 1
1 356 . 9 1 1 A 36 36 THR CA C 36 62.508 65.311 -2.803 1
1 357 . 9 1 1 A 36 36 THR HA H 36 4.358 3.973 0.385 1
1 358 . 9 1 1 A 36 36 THR CB C 36 69.805 69.357 0.448 1
1 364 . 9 1 1 A 36 36 THR C C 36 175.472 174.677 0.795 1
1 365 . 9 1 1 A 37 37 GLY N N 37 110.597 108.741 1.856 1
1 366 . 9 1 1 A 37 37 GLY H H 37 8.215 8.154 0.061 1
1 367 . 9 1 1 A 37 37 GLY CA C 37 45.345 45.566 -0.221 1
1 368 . 9 1 1 A 37 37 GLY HA3 H 37 3.941 3.966 -0.025 1
1 369 . 9 1 1 A 37 37 GLY C C 37 174.037 173.094 0.943 1
1 370 . 9 1 1 A 37 37 GLY HA2 H 37 4.036 3.962 0.074 1
1 371 . 9 1 1 A 38 38 GLU N N 38 120.595 121.658 -1.063 1
1 372 . 9 1 1 A 38 38 GLU H H 38 8.082 8.449 -0.367 1
1 373 . 9 1 1 A 38 38 GLU CA C 38 56.438 54.396 2.042 1
1 374 . 9 1 1 A 38 38 GLU HA H 38 4.244 5.044 -0.800 1
1 375 . 9 1 1 A 38 38 GLU CB C 38 30.533 33.499 -2.966 1
1 379 . 9 1 1 A 38 38 GLU C C 38 176.198 176.022 0.176 1
1 382 . 9 1 1 A 39 39 LYS N N 39 123.862 122.162 1.700 1
1 383 . 9 1 1 A 39 39 LYS H H 39 8.413 8.154 0.259 1
1 384 . 9 1 1 A 39 39 LYS CA C 39 54.115 55.246 -1.131 1
1 385 . 9 1 1 A 39 39 LYS HA H 39 4.602 4.307 0.295 1
1 386 . 9 1 1 A 39 39 LYS CB C 39 32.503 32.493 0.010 1
1 394 . 9 1 1 A 39 39 LYS C C 39 174.491 175.853 -1.362 1
1 399 . 9 1 1 A 40 40 PRO CA C 40 63.230 62.187 1.043 1
1 400 . 9 1 1 A 40 40 PRO HA H 40 4.457 4.675 -0.218 1
1 401 . 9 1 1 A 40 40 PRO CB C 40 32.215 29.694 2.521 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.404 45.591 -0.187 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.019 4.173 -0.154 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.534 174.632 -0.098 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 4.019 4.172 -0.153 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.887 110.266 2.621 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.161 8.046 0.115 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.885 60.238 1.647 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.366 4.697 -0.331 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.813 68.471 1.342 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.242 174.511 0.731 1
1 16 . 10 1 1 A 9 9 GLY N N 9 110.959 110.628 0.331 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.457 8.325 0.132 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.259 44.957 0.302 1
1 19 . 10 1 1 A 9 9 GLY HA3 H 9 3.931 4.029 -0.098 1
1 20 . 10 1 1 A 9 9 GLY C C 9 174.041 174.218 -0.177 1
1 21 . 10 1 1 A 9 9 GLY HA2 H 9 3.931 4.023 -0.092 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.453 123.777 -3.324 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.222 8.806 -0.584 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.686 56.361 0.325 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.229 4.464 -0.235 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.533 30.179 0.354 1
1 30 . 10 1 1 A 10 10 GLU C C 10 176.213 174.399 1.814 1
1 33 . 10 1 1 A 11 11 LYS N N 11 122.472 118.938 3.534 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.251 7.408 0.843 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 53.888 52.971 0.917 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.524 4.812 -0.288 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 32.818 34.013 -1.195 1
1 45 . 10 1 1 A 11 11 LYS C C 11 173.839 176.284 -2.445 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 62.929 63.961 -1.032 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.338 4.423 -0.085 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.388 31.416 0.972 1
1 58 . 10 1 1 A 12 12 PRO C C 12 176.346 175.707 0.639 1
1 62 . 10 1 1 A 13 13 TYR N N 13 119.836 119.100 0.736 1
1 63 . 10 1 1 A 13 13 TYR H H 13 8.099 7.628 0.471 1
1 64 . 10 1 1 A 13 13 TYR CA C 13 57.638 56.879 0.759 1
1 65 . 10 1 1 A 13 13 TYR HA H 13 4.565 5.215 -0.650 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.246 40.212 -1.966 1
1 76 . 10 1 1 A 13 13 TYR C C 13 174.063 174.351 -0.288 1
1 78 . 10 1 1 A 14 14 LYS N N 14 125.222 124.476 0.746 1
1 79 . 10 1 1 A 14 14 LYS H H 14 8.437 8.982 -0.545 1
1 80 . 10 1 1 A 14 14 LYS CA C 14 54.846 54.702 0.144 1
1 81 . 10 1 1 A 14 14 LYS HA H 14 5.044 5.093 -0.049 1
1 82 . 10 1 1 A 14 14 LYS CB C 14 36.065 36.564 -0.499 1
1 90 . 10 1 1 A 14 14 LYS C C 14 174.999 175.288 -0.289 1
1 95 . 10 1 1 A 15 15 CYS N N 15 127.756 124.973 2.783 1
1 96 . 10 1 1 A 15 15 CYS H H 15 9.327 9.221 0.106 1
1 97 . 10 1 1 A 15 15 CYS CA C 15 59.366 60.153 -0.787 1
1 98 . 10 1 1 A 15 15 CYS HA H 15 4.576 4.619 -0.043 1
1 99 . 10 1 1 A 15 15 CYS CB C 15 29.545 28.753 0.792 1
1 101 . 10 1 1 A 15 15 CYS C C 15 176.864 175.489 1.375 1
1 103 . 10 1 1 A 16 16 ASN N N 16 130.374 126.113 4.261 1
1 104 . 10 1 1 A 16 16 ASN H H 16 9.432 8.917 0.515 1
1 105 . 10 1 1 A 16 16 ASN CA C 16 55.639 53.550 2.089 1
1 106 . 10 1 1 A 16 16 ASN HA H 16 4.517 4.963 -0.446 1
1 107 . 10 1 1 A 16 16 ASN CB C 16 38.395 38.728 -0.333 1
1 112 . 10 1 1 A 16 16 ASN C C 16 175.480 175.566 -0.086 1
1 114 . 10 1 1 A 17 17 GLU N N 17 120.722 117.781 2.941 1
1 115 . 10 1 1 A 17 17 GLU H H 17 8.665 8.069 0.596 1
1 116 . 10 1 1 A 17 17 GLU CA C 17 58.443 57.477 0.966 1
1 117 . 10 1 1 A 17 17 GLU HA H 17 4.213 4.267 -0.054 1
1 118 . 10 1 1 A 17 17 GLU CB C 17 29.431 30.009 -0.578 1
1 122 . 10 1 1 A 17 17 GLU C C 17 177.092 177.772 -0.680 1
1 125 . 10 1 1 A 18 18 CYS N N 18 114.544 115.173 -0.629 1
1 126 . 10 1 1 A 18 18 CYS H H 18 7.925 7.994 -0.069 1
1 127 . 10 1 1 A 18 18 CYS CA C 18 58.372 59.655 -1.283 1
1 128 . 10 1 1 A 18 18 CYS HA H 18 5.179 4.689 0.490 1
1 129 . 10 1 1 A 18 18 CYS CB C 18 32.404 29.914 2.490 1
1 131 . 10 1 1 A 18 18 CYS C C 18 176.255 175.542 0.713 1
1 133 . 10 1 1 A 19 19 GLY N N 19 113.579 109.742 3.837 1
1 134 . 10 1 1 A 19 19 GLY H H 19 8.223 8.021 0.202 1
1 135 . 10 1 1 A 19 19 GLY CA C 19 46.317 45.099 1.218 1
1 136 . 10 1 1 A 19 19 GLY HA3 H 19 4.247 4.111 0.136 1
1 137 . 10 1 1 A 19 19 GLY C C 19 173.572 174.343 -0.771 1
1 138 . 10 1 1 A 19 19 GLY HA2 H 19 3.732 4.099 -0.367 1
1 139 . 10 1 1 A 20 20 LYS N N 20 122.482 119.583 2.899 1
1 140 . 10 1 1 A 20 20 LYS H H 20 7.873 8.033 -0.160 1
1 141 . 10 1 1 A 20 20 LYS CA C 20 58.246 55.400 2.846 1
1 142 . 10 1 1 A 20 20 LYS HA H 20 4.002 4.568 -0.566 1
1 143 . 10 1 1 A 20 20 LYS CB C 20 33.912 34.308 -0.396 1
1 151 . 10 1 1 A 20 20 LYS C C 20 174.324 175.310 -0.986 1
1 156 . 10 1 1 A 21 21 VAL N N 21 116.394 119.513 -3.119 1
1 157 . 10 1 1 A 21 21 VAL H H 21 7.573 8.008 -0.435 1
1 158 . 10 1 1 A 21 21 VAL CA C 21 60.262 60.343 -0.081 1
1 159 . 10 1 1 A 21 21 VAL HA H 21 4.816 4.886 -0.070 1
1 160 . 10 1 1 A 21 21 VAL CB C 21 33.936 36.062 -2.126 1
1 170 . 10 1 1 A 21 21 VAL C C 21 175.317 174.303 1.014 1
1 171 . 10 1 1 A 22 22 PHE N N 22 120.431 123.895 -3.464 1
1 172 . 10 1 1 A 22 22 PHE H H 22 8.792 8.628 0.164 1
1 173 . 10 1 1 A 22 22 PHE CA C 22 56.890 56.540 0.350 1
1 174 . 10 1 1 A 22 22 PHE HA H 22 4.824 4.973 -0.149 1
1 175 . 10 1 1 A 22 22 PHE CB C 22 44.119 42.969 1.150 1
1 187 . 10 1 1 A 22 22 PHE C C 22 175.683 175.996 -0.313 1
1 189 . 10 1 1 A 23 23 ARG N N 23 119.340 123.004 -3.664 1
1 190 . 10 1 1 A 23 23 ARG H H 23 9.329 8.857 0.472 1
1 191 . 10 1 1 A 23 23 ARG CA C 23 57.346 59.214 -1.868 1
1 192 . 10 1 1 A 23 23 ARG HA H 23 4.466 4.305 0.161 1
1 193 . 10 1 1 A 23 23 ARG CB C 23 31.371 30.856 0.515 1
1 199 . 10 1 1 A 23 23 ARG C C 23 175.065 176.266 -1.201 1
1 203 . 10 1 1 A 24 24 HIS N N 24 113.216 117.309 -4.093 1
1 204 . 10 1 1 A 24 24 HIS H H 24 7.128 8.239 -1.111 1
1 205 . 10 1 1 A 24 24 HIS CA C 24 55.437 54.633 0.804 1
1 206 . 10 1 1 A 24 24 HIS HA H 24 4.657 4.672 -0.015 1
1 207 . 10 1 1 A 24 24 HIS CB C 24 34.517 31.768 2.749 1
1 213 . 10 1 1 A 24 24 HIS C C 24 175.558 176.145 -0.587 1
1 215 . 10 1 1 A 25 25 ASN CA C 25 56.177 55.760 0.417 1
1 216 . 10 1 1 A 25 25 ASN HA H 25 3.662 4.066 -0.404 1
1 217 . 10 1 1 A 25 25 ASN CB C 25 38.311 36.990 1.321 1
1 223 . 10 1 1 A 26 26 SER CA C 26 61.298 61.733 -0.435 1
1 224 . 10 1 1 A 26 26 SER HA H 26 4.085 4.132 -0.047 1
1 225 . 10 1 1 A 26 26 SER CB C 26 61.728 62.475 -0.747 1
1 227 . 10 1 1 A 26 26 SER C C 26 177.140 176.208 0.932 1
1 229 . 10 1 1 A 27 27 TYR N N 27 121.463 119.019 2.444 1
1 230 . 10 1 1 A 27 27 TYR H H 27 6.951 7.727 -0.776 1
1 231 . 10 1 1 A 27 27 TYR CA C 27 58.633 61.223 -2.590 1
1 232 . 10 1 1 A 27 27 TYR HA H 27 4.342 4.280 0.062 1
1 233 . 10 1 1 A 27 27 TYR CB C 27 37.464 38.213 -0.749 1
1 243 . 10 1 1 A 27 27 TYR C C 27 178.472 177.969 0.503 1
1 245 . 10 1 1 A 28 28 LEU N N 28 122.153 121.365 0.788 1
1 246 . 10 1 1 A 28 28 LEU H H 28 7.064 7.761 -0.697 1
1 247 . 10 1 1 A 28 28 LEU CA C 28 58.022 57.243 0.779 1
1 248 . 10 1 1 A 28 28 LEU HA H 28 3.260 2.542 0.718 1
1 249 . 10 1 1 A 28 28 LEU CB C 28 40.390 41.534 -1.144 1
1 261 . 10 1 1 A 28 28 LEU C C 28 177.619 178.559 -0.940 1
1 263 . 10 1 1 A 29 29 SER N N 29 114.652 114.540 0.112 1
1 264 . 10 1 1 A 29 29 SER H H 29 8.415 7.926 0.489 1
1 265 . 10 1 1 A 29 29 SER CA C 29 61.724 61.473 0.251 1
1 266 . 10 1 1 A 29 29 SER HA H 29 4.222 4.029 0.193 1
1 267 . 10 1 1 A 29 29 SER CB C 29 62.466 62.976 -0.510 1
1 269 . 10 1 1 A 29 29 SER C C 29 177.182 176.546 0.636 1
1 271 . 10 1 1 A 30 30 ARG N N 30 119.728 119.290 0.438 1
1 272 . 10 1 1 A 30 30 ARG H H 30 7.390 8.044 -0.654 1
1 273 . 10 1 1 A 30 30 ARG CA C 30 59.144 58.310 0.834 1
1 274 . 10 1 1 A 30 30 ARG HA H 30 3.997 4.173 -0.176 1
1 275 . 10 1 1 A 30 30 ARG CB C 30 30.280 29.340 0.940 1
1 281 . 10 1 1 A 30 30 ARG C C 30 178.647 177.970 0.677 1
1 285 . 10 1 1 A 31 31 HIS N N 31 119.367 120.209 -0.842 1
1 286 . 10 1 1 A 31 31 HIS H H 31 7.628 7.548 0.080 1
1 287 . 10 1 1 A 31 31 HIS CA C 31 59.077 58.721 0.356 1
1 288 . 10 1 1 A 31 31 HIS HA H 31 4.224 4.195 0.029 1
1 289 . 10 1 1 A 31 31 HIS CB C 31 28.526 30.086 -1.560 1
1 295 . 10 1 1 A 31 31 HIS C C 31 176.140 176.899 -0.759 1
1 297 . 10 1 1 A 32 32 GLN N N 32 115.298 117.244 -1.946 1
1 298 . 10 1 1 A 32 32 GLN H H 32 8.337 8.427 -0.090 1
1 299 . 10 1 1 A 32 32 GLN CA C 32 59.342 59.105 0.237 1
1 300 . 10 1 1 A 32 32 GLN HA H 32 3.709 3.679 0.030 1
1 301 . 10 1 1 A 32 32 GLN CB C 32 28.352 28.355 -0.003 1
1 310 . 10 1 1 A 33 33 ARG N N 33 117.159 117.610 -0.451 1
1 311 . 10 1 1 A 33 33 ARG H H 33 7.099 7.859 -0.760 1
1 312 . 10 1 1 A 33 33 ARG CA C 33 58.300 58.690 -0.390 1
1 313 . 10 1 1 A 33 33 ARG HA H 33 4.144 4.039 0.105 1
1 314 . 10 1 1 A 33 33 ARG CB C 33 30.024 30.166 -0.142 1
1 320 . 10 1 1 A 33 33 ARG C C 33 178.505 177.770 0.735 1
1 324 . 10 1 1 A 34 34 ILE N N 34 116.468 116.168 0.300 1
1 325 . 10 1 1 A 34 34 ILE H H 34 7.818 8.167 -0.349 1
1 326 . 10 1 1 A 34 34 ILE CA C 34 63.072 64.227 -1.155 1
1 327 . 10 1 1 A 34 34 ILE HA H 34 3.975 3.745 0.230 1
1 328 . 10 1 1 A 34 34 ILE CB C 34 37.673 37.289 0.384 1
1 340 . 10 1 1 A 34 34 ILE C C 34 177.406 177.546 -0.140 1
1 342 . 10 1 1 A 35 35 HIS N N 35 117.692 121.023 -3.331 1
1 343 . 10 1 1 A 35 35 HIS H H 35 7.220 7.702 -0.482 1
1 344 . 10 1 1 A 35 35 HIS CA C 35 55.298 59.286 -3.988 1
1 345 . 10 1 1 A 35 35 HIS HA H 35 4.858 4.428 0.430 1
1 346 . 10 1 1 A 35 35 HIS CB C 35 28.597 29.860 -1.263 1
1 352 . 10 1 1 A 35 35 HIS C C 35 175.834 177.883 -2.049 1
1 354 . 10 1 1 A 36 36 THR N N 36 111.637 111.654 -0.017 1
1 355 . 10 1 1 A 36 36 THR H H 36 7.791 8.078 -0.287 1
1 356 . 10 1 1 A 36 36 THR CA C 36 62.508 65.330 -2.822 1
1 357 . 10 1 1 A 36 36 THR HA H 36 4.358 4.075 0.283 1
1 358 . 10 1 1 A 36 36 THR CB C 36 69.805 68.324 1.481 1
1 364 . 10 1 1 A 36 36 THR C C 36 175.472 177.404 -1.932 1
1 365 . 10 1 1 A 37 37 GLY N N 37 110.597 110.151 0.446 1
1 366 . 10 1 1 A 37 37 GLY H H 37 8.215 8.259 -0.044 1
1 367 . 10 1 1 A 37 37 GLY CA C 37 45.345 47.195 -1.850 1
1 368 . 10 1 1 A 37 37 GLY HA3 H 37 3.941 3.795 0.146 1
1 369 . 10 1 1 A 37 37 GLY C C 37 174.037 174.804 -0.767 1
1 370 . 10 1 1 A 37 37 GLY HA2 H 37 4.036 3.786 0.250 1
1 371 . 10 1 1 A 38 38 GLU N N 38 120.595 120.160 0.435 1
1 372 . 10 1 1 A 38 38 GLU H H 38 8.082 7.271 0.811 1
1 373 . 10 1 1 A 38 38 GLU CA C 38 56.438 56.713 -0.275 1
1 374 . 10 1 1 A 38 38 GLU HA H 38 4.244 4.190 0.054 1
1 375 . 10 1 1 A 38 38 GLU CB C 38 30.533 30.081 0.452 1
1 379 . 10 1 1 A 38 38 GLU C C 38 176.198 176.171 0.027 1
1 382 . 10 1 1 A 39 39 LYS N N 39 123.862 123.911 -0.049 1
1 383 . 10 1 1 A 39 39 LYS H H 39 8.413 8.335 0.078 1
1 384 . 10 1 1 A 39 39 LYS CA C 39 54.115 55.122 -1.007 1
1 385 . 10 1 1 A 39 39 LYS HA H 39 4.602 4.358 0.244 1
1 386 . 10 1 1 A 39 39 LYS CB C 39 32.503 32.583 -0.080 1
1 394 . 10 1 1 A 39 39 LYS C C 39 174.491 175.743 -1.252 1
1 399 . 10 1 1 A 40 40 PRO CA C 40 63.230 62.692 0.538 1
1 400 . 10 1 1 A 40 40 PRO HA H 40 4.457 4.680 -0.223 1
1 401 . 10 1 1 A 40 40 PRO CB C 40 32.215 32.985 -0.770 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.404 46.088 -0.684 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.019 4.201 -0.182 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.534 172.399 2.135 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 4.019 4.199 -0.180 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.887 118.596 -5.709 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.161 8.504 -0.343 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.885 62.183 -0.298 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.366 4.491 -0.125 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.813 68.609 1.204 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.242 174.753 0.489 1
1 16 . 11 1 1 A 9 9 GLY N N 9 110.959 113.239 -2.280 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.457 8.420 0.037 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.259 45.530 -0.271 1
1 19 . 11 1 1 A 9 9 GLY HA3 H 9 3.931 3.978 -0.047 1
1 20 . 11 1 1 A 9 9 GLY C C 9 174.041 174.979 -0.938 1
1 21 . 11 1 1 A 9 9 GLY HA2 H 9 3.931 3.976 -0.045 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.453 121.229 -0.776 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.222 7.933 0.289 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.686 55.745 0.941 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.229 4.397 -0.168 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.533 28.260 2.273 1
1 30 . 11 1 1 A 10 10 GLU C C 10 176.213 174.779 1.434 1
1 33 . 11 1 1 A 11 11 LYS N N 11 122.472 124.720 -2.248 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.251 7.936 0.315 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 53.888 52.926 0.962 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.524 4.862 -0.338 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 32.818 33.960 -1.142 1
1 45 . 11 1 1 A 11 11 LYS C C 11 173.839 176.221 -2.382 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 62.929 63.994 -1.065 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.338 4.345 -0.007 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.388 31.365 1.023 1
1 58 . 11 1 1 A 12 12 PRO C C 12 176.346 175.743 0.603 1
1 62 . 11 1 1 A 13 13 TYR N N 13 119.836 118.960 0.876 1
1 63 . 11 1 1 A 13 13 TYR H H 13 8.099 7.589 0.510 1
1 64 . 11 1 1 A 13 13 TYR CA C 13 57.638 56.509 1.129 1
1 65 . 11 1 1 A 13 13 TYR HA H 13 4.565 5.223 -0.658 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.246 40.029 -1.783 1
1 76 . 11 1 1 A 13 13 TYR C C 13 174.063 174.333 -0.270 1
1 78 . 11 1 1 A 14 14 LYS N N 14 125.222 124.524 0.698 1
1 79 . 11 1 1 A 14 14 LYS H H 14 8.437 8.952 -0.515 1
1 80 . 11 1 1 A 14 14 LYS CA C 14 54.846 54.767 0.079 1
1 81 . 11 1 1 A 14 14 LYS HA H 14 5.044 5.221 -0.177 1
1 82 . 11 1 1 A 14 14 LYS CB C 14 36.065 36.480 -0.415 1
1 90 . 11 1 1 A 14 14 LYS C C 14 174.999 174.747 0.252 1
1 95 . 11 1 1 A 15 15 CYS N N 15 127.756 124.384 3.372 1
1 96 . 11 1 1 A 15 15 CYS H H 15 9.327 9.640 -0.313 1
1 97 . 11 1 1 A 15 15 CYS CA C 15 59.366 59.775 -0.409 1
1 98 . 11 1 1 A 15 15 CYS HA H 15 4.576 4.640 -0.064 1
1 99 . 11 1 1 A 15 15 CYS CB C 15 29.545 28.372 1.173 1
1 101 . 11 1 1 A 15 15 CYS C C 15 176.864 174.856 2.008 1
1 103 . 11 1 1 A 16 16 ASN N N 16 130.374 124.634 5.740 1
1 104 . 11 1 1 A 16 16 ASN H H 16 9.432 8.914 0.518 1
1 105 . 11 1 1 A 16 16 ASN CA C 16 55.639 54.015 1.624 1
1 106 . 11 1 1 A 16 16 ASN HA H 16 4.517 4.887 -0.370 1
1 107 . 11 1 1 A 16 16 ASN CB C 16 38.395 39.340 -0.945 1
1 112 . 11 1 1 A 16 16 ASN C C 16 175.480 177.210 -1.730 1
1 114 . 11 1 1 A 17 17 GLU N N 17 120.722 120.640 0.082 1
1 115 . 11 1 1 A 17 17 GLU H H 17 8.665 8.301 0.364 1
1 116 . 11 1 1 A 17 17 GLU CA C 17 58.443 58.940 -0.497 1
1 117 . 11 1 1 A 17 17 GLU HA H 17 4.213 3.888 0.325 1
1 118 . 11 1 1 A 17 17 GLU CB C 17 29.431 28.803 0.628 1
1 122 . 11 1 1 A 17 17 GLU C C 17 177.092 177.967 -0.875 1
1 125 . 11 1 1 A 18 18 CYS N N 18 114.544 114.804 -0.260 1
1 126 . 11 1 1 A 18 18 CYS H H 18 7.925 7.419 0.506 1
1 127 . 11 1 1 A 18 18 CYS CA C 18 58.372 59.481 -1.109 1
1 128 . 11 1 1 A 18 18 CYS HA H 18 5.179 4.710 0.469 1
1 129 . 11 1 1 A 18 18 CYS CB C 18 32.404 30.061 2.343 1
1 131 . 11 1 1 A 18 18 CYS C C 18 176.255 175.583 0.672 1
1 133 . 11 1 1 A 19 19 GLY N N 19 113.579 110.105 3.474 1
1 134 . 11 1 1 A 19 19 GLY H H 19 8.223 8.010 0.213 1
1 135 . 11 1 1 A 19 19 GLY CA C 19 46.317 45.239 1.078 1
1 136 . 11 1 1 A 19 19 GLY HA3 H 19 4.247 4.089 0.158 1
1 137 . 11 1 1 A 19 19 GLY C C 19 173.572 174.629 -1.057 1
1 138 . 11 1 1 A 19 19 GLY HA2 H 19 3.732 4.077 -0.345 1
1 139 . 11 1 1 A 20 20 LYS N N 20 122.482 121.342 1.140 1
1 140 . 11 1 1 A 20 20 LYS H H 20 7.873 7.523 0.350 1
1 141 . 11 1 1 A 20 20 LYS CA C 20 58.246 57.447 0.799 1
1 142 . 11 1 1 A 20 20 LYS HA H 20 4.002 4.180 -0.178 1
1 143 . 11 1 1 A 20 20 LYS CB C 20 33.912 33.016 0.896 1
1 151 . 11 1 1 A 20 20 LYS C C 20 174.324 175.554 -1.230 1
1 156 . 11 1 1 A 21 21 VAL N N 21 116.394 123.119 -6.725 1
1 157 . 11 1 1 A 21 21 VAL H H 21 7.573 8.495 -0.922 1
1 158 . 11 1 1 A 21 21 VAL CA C 21 60.262 61.249 -0.987 1
1 159 . 11 1 1 A 21 21 VAL HA H 21 4.816 5.054 -0.238 1
1 160 . 11 1 1 A 21 21 VAL CB C 21 33.936 34.151 -0.215 1
1 170 . 11 1 1 A 21 21 VAL C C 21 175.317 174.825 0.492 1
1 171 . 11 1 1 A 22 22 PHE N N 22 120.431 123.786 -3.355 1
1 172 . 11 1 1 A 22 22 PHE H H 22 8.792 9.038 -0.246 1
1 173 . 11 1 1 A 22 22 PHE CA C 22 56.890 56.413 0.477 1
1 174 . 11 1 1 A 22 22 PHE HA H 22 4.824 4.977 -0.153 1
1 175 . 11 1 1 A 22 22 PHE CB C 22 44.119 43.774 0.345 1
1 187 . 11 1 1 A 22 22 PHE C C 22 175.683 175.924 -0.241 1
1 189 . 11 1 1 A 23 23 ARG N N 23 119.340 121.592 -2.252 1
1 190 . 11 1 1 A 23 23 ARG H H 23 9.329 9.001 0.328 1
1 191 . 11 1 1 A 23 23 ARG CA C 23 57.346 58.106 -0.760 1
1 192 . 11 1 1 A 23 23 ARG HA H 23 4.466 4.477 -0.011 1
1 193 . 11 1 1 A 23 23 ARG CB C 23 31.371 30.941 0.430 1
1 199 . 11 1 1 A 23 23 ARG C C 23 175.065 176.263 -1.198 1
1 203 . 11 1 1 A 24 24 HIS N N 24 113.216 117.118 -3.902 1
1 204 . 11 1 1 A 24 24 HIS H H 24 7.128 8.124 -0.996 1
1 205 . 11 1 1 A 24 24 HIS CA C 24 55.437 54.545 0.892 1
1 206 . 11 1 1 A 24 24 HIS HA H 24 4.657 4.502 0.155 1
1 207 . 11 1 1 A 24 24 HIS CB C 24 34.517 31.755 2.762 1
1 213 . 11 1 1 A 24 24 HIS C C 24 175.558 174.770 0.788 1
1 215 . 11 1 1 A 25 25 ASN CA C 25 56.177 56.074 0.103 1
1 216 . 11 1 1 A 25 25 ASN HA H 25 3.662 3.899 -0.237 1
1 217 . 11 1 1 A 25 25 ASN CB C 25 38.311 38.041 0.270 1
1 223 . 11 1 1 A 26 26 SER CA C 26 61.298 62.220 -0.922 1
1 224 . 11 1 1 A 26 26 SER HA H 26 4.085 3.995 0.090 1
1 225 . 11 1 1 A 26 26 SER CB C 26 61.728 62.389 -0.661 1
1 227 . 11 1 1 A 26 26 SER C C 26 177.140 176.295 0.845 1
1 229 . 11 1 1 A 27 27 TYR N N 27 121.463 119.537 1.926 1
1 230 . 11 1 1 A 27 27 TYR H H 27 6.951 7.884 -0.933 1
1 231 . 11 1 1 A 27 27 TYR CA C 27 58.633 61.202 -2.569 1
1 232 . 11 1 1 A 27 27 TYR HA H 27 4.342 4.362 -0.020 1
1 233 . 11 1 1 A 27 27 TYR CB C 27 37.464 38.836 -1.372 1
1 243 . 11 1 1 A 27 27 TYR C C 27 178.472 177.881 0.591 1
1 245 . 11 1 1 A 28 28 LEU N N 28 122.153 121.594 0.559 1
1 246 . 11 1 1 A 28 28 LEU H H 28 7.064 7.729 -0.665 1
1 247 . 11 1 1 A 28 28 LEU CA C 28 58.022 57.463 0.559 1
1 248 . 11 1 1 A 28 28 LEU HA H 28 3.260 2.789 0.471 1
1 249 . 11 1 1 A 28 28 LEU CB C 28 40.390 41.439 -1.049 1
1 261 . 11 1 1 A 28 28 LEU C C 28 177.619 178.637 -1.018 1
1 263 . 11 1 1 A 29 29 SER N N 29 114.652 114.634 0.018 1
1 264 . 11 1 1 A 29 29 SER H H 29 8.415 8.198 0.217 1
1 265 . 11 1 1 A 29 29 SER CA C 29 61.724 61.566 0.158 1
1 266 . 11 1 1 A 29 29 SER HA H 29 4.222 3.966 0.256 1
1 267 . 11 1 1 A 29 29 SER CB C 29 62.466 62.808 -0.342 1
1 269 . 11 1 1 A 29 29 SER C C 29 177.182 177.247 -0.065 1
1 271 . 11 1 1 A 30 30 ARG N N 30 119.728 121.595 -1.867 1
1 272 . 11 1 1 A 30 30 ARG H H 30 7.390 7.869 -0.479 1
1 273 . 11 1 1 A 30 30 ARG CA C 30 59.144 59.365 -0.221 1
1 274 . 11 1 1 A 30 30 ARG HA H 30 3.997 4.154 -0.157 1
1 275 . 11 1 1 A 30 30 ARG CB C 30 30.280 29.537 0.743 1
1 281 . 11 1 1 A 30 30 ARG C C 30 178.647 178.683 -0.036 1
1 285 . 11 1 1 A 31 31 HIS N N 31 119.367 121.230 -1.863 1
1 286 . 11 1 1 A 31 31 HIS H H 31 7.628 8.065 -0.437 1
1 287 . 11 1 1 A 31 31 HIS CA C 31 59.077 59.002 0.075 1
1 288 . 11 1 1 A 31 31 HIS HA H 31 4.224 4.208 0.016 1
1 289 . 11 1 1 A 31 31 HIS CB C 31 28.526 30.123 -1.597 1
1 295 . 11 1 1 A 31 31 HIS C C 31 176.140 176.956 -0.816 1
1 297 . 11 1 1 A 32 32 GLN N N 32 115.298 117.430 -2.132 1
1 298 . 11 1 1 A 32 32 GLN H H 32 8.337 8.470 -0.133 1
1 299 . 11 1 1 A 32 32 GLN CA C 32 59.342 59.140 0.202 1
1 300 . 11 1 1 A 32 32 GLN HA H 32 3.709 3.689 0.020 1
1 301 . 11 1 1 A 32 32 GLN CB C 32 28.352 28.318 0.034 1
1 310 . 11 1 1 A 33 33 ARG N N 33 117.159 119.899 -2.740 1
1 311 . 11 1 1 A 33 33 ARG H H 33 7.099 7.656 -0.557 1
1 312 . 11 1 1 A 33 33 ARG CA C 33 58.300 58.915 -0.615 1
1 313 . 11 1 1 A 33 33 ARG HA H 33 4.144 4.002 0.142 1
1 314 . 11 1 1 A 33 33 ARG CB C 33 30.024 29.885 0.139 1
1 320 . 11 1 1 A 33 33 ARG C C 33 178.505 178.720 -0.215 1
1 324 . 11 1 1 A 34 34 ILE N N 34 116.468 117.603 -1.135 1
1 325 . 11 1 1 A 34 34 ILE H H 34 7.818 7.771 0.047 1
1 326 . 11 1 1 A 34 34 ILE CA C 34 63.072 63.818 -0.746 1
1 327 . 11 1 1 A 34 34 ILE HA H 34 3.975 3.736 0.239 1
1 328 . 11 1 1 A 34 34 ILE CB C 34 37.673 37.281 0.392 1
1 340 . 11 1 1 A 34 34 ILE C C 34 177.406 177.539 -0.133 1
1 342 . 11 1 1 A 35 35 HIS N N 35 117.692 119.650 -1.958 1
1 343 . 11 1 1 A 35 35 HIS H H 35 7.220 7.417 -0.197 1
1 344 . 11 1 1 A 35 35 HIS CA C 35 55.298 58.782 -3.484 1
1 345 . 11 1 1 A 35 35 HIS HA H 35 4.858 4.420 0.438 1
1 346 . 11 1 1 A 35 35 HIS CB C 35 28.597 31.038 -2.441 1
1 352 . 11 1 1 A 35 35 HIS C C 35 175.834 175.752 0.082 1
1 354 . 11 1 1 A 36 36 THR N N 36 111.637 109.204 2.433 1
1 355 . 11 1 1 A 36 36 THR H H 36 7.791 7.732 0.059 1
1 356 . 11 1 1 A 36 36 THR CA C 36 62.508 61.440 1.068 1
1 357 . 11 1 1 A 36 36 THR HA H 36 4.358 4.305 0.053 1
1 358 . 11 1 1 A 36 36 THR CB C 36 69.805 68.057 1.748 1
1 364 . 11 1 1 A 36 36 THR C C 36 175.472 174.166 1.306 1
1 365 . 11 1 1 A 37 37 GLY N N 37 110.597 111.615 -1.018 1
1 366 . 11 1 1 A 37 37 GLY H H 37 8.215 7.950 0.265 1
1 367 . 11 1 1 A 37 37 GLY CA C 37 45.345 46.138 -0.793 1
1 368 . 11 1 1 A 37 37 GLY HA3 H 37 3.941 4.040 -0.099 1
1 369 . 11 1 1 A 37 37 GLY C C 37 174.037 173.424 0.613 1
1 370 . 11 1 1 A 37 37 GLY HA2 H 37 4.036 4.036 0.000 1
1 371 . 11 1 1 A 38 38 GLU N N 38 120.595 120.148 0.447 1
1 372 . 11 1 1 A 38 38 GLU H H 38 8.082 8.146 -0.064 1
1 373 . 11 1 1 A 38 38 GLU CA C 38 56.438 55.376 1.062 1
1 374 . 11 1 1 A 38 38 GLU HA H 38 4.244 4.659 -0.415 1
1 375 . 11 1 1 A 38 38 GLU CB C 38 30.533 29.983 0.550 1
1 379 . 11 1 1 A 38 38 GLU C C 38 176.198 175.025 1.173 1
1 382 . 11 1 1 A 39 39 LYS N N 39 123.862 128.170 -4.308 1
1 383 . 11 1 1 A 39 39 LYS H H 39 8.413 8.830 -0.417 1
1 384 . 11 1 1 A 39 39 LYS CA C 39 54.115 54.234 -0.119 1
1 385 . 11 1 1 A 39 39 LYS HA H 39 4.602 4.535 0.067 1
1 386 . 11 1 1 A 39 39 LYS CB C 39 32.503 33.408 -0.905 1
1 394 . 11 1 1 A 39 39 LYS C C 39 174.491 175.378 -0.887 1
1 399 . 11 1 1 A 40 40 PRO CA C 40 63.230 63.001 0.229 1
1 400 . 11 1 1 A 40 40 PRO HA H 40 4.457 4.402 0.055 1
1 401 . 11 1 1 A 40 40 PRO CB C 40 32.215 32.325 -0.110 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.404 47.294 -1.890 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.019 3.760 0.259 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.534 175.249 -0.715 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 4.019 3.758 0.261 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.887 115.874 -2.987 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.161 7.516 0.645 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.885 62.231 -0.346 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.366 4.202 0.164 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.813 69.616 0.197 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.242 174.339 0.903 1
1 16 . 12 1 1 A 9 9 GLY N N 9 110.959 114.008 -3.049 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.457 8.479 -0.022 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.259 44.084 1.175 1
1 19 . 12 1 1 A 9 9 GLY HA3 H 9 3.931 4.123 -0.192 1
1 20 . 12 1 1 A 9 9 GLY C C 9 174.041 172.910 1.131 1
1 21 . 12 1 1 A 9 9 GLY HA2 H 9 3.931 4.120 -0.189 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.453 116.504 3.949 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.222 8.825 -0.603 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.686 55.123 1.563 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.229 5.170 -0.941 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.533 32.467 -1.934 1
1 30 . 12 1 1 A 10 10 GLU C C 10 176.213 175.541 0.672 1
1 33 . 12 1 1 A 11 11 LYS N N 11 122.472 122.518 -0.046 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.251 8.630 -0.379 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 53.888 53.299 0.589 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.524 4.789 -0.265 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 32.818 33.487 -0.669 1
1 45 . 12 1 1 A 11 11 LYS C C 11 173.839 176.425 -2.586 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 62.929 63.997 -1.068 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.338 4.353 -0.015 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.388 31.375 1.013 1
1 58 . 12 1 1 A 12 12 PRO C C 12 176.346 175.576 0.770 1
1 62 . 12 1 1 A 13 13 TYR N N 13 119.836 118.726 1.110 1
1 63 . 12 1 1 A 13 13 TYR H H 13 8.099 7.551 0.548 1
1 64 . 12 1 1 A 13 13 TYR CA C 13 57.638 56.871 0.767 1
1 65 . 12 1 1 A 13 13 TYR HA H 13 4.565 5.348 -0.783 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.246 40.810 -2.564 1
1 76 . 12 1 1 A 13 13 TYR C C 13 174.063 174.228 -0.165 1
1 78 . 12 1 1 A 14 14 LYS N N 14 125.222 124.282 0.940 1
1 79 . 12 1 1 A 14 14 LYS H H 14 8.437 9.002 -0.565 1
1 80 . 12 1 1 A 14 14 LYS CA C 14 54.846 54.938 -0.092 1
1 81 . 12 1 1 A 14 14 LYS HA H 14 5.044 5.176 -0.132 1
1 82 . 12 1 1 A 14 14 LYS CB C 14 36.065 36.330 -0.265 1
1 90 . 12 1 1 A 14 14 LYS C C 14 174.999 174.814 0.185 1
1 95 . 12 1 1 A 15 15 CYS N N 15 127.756 124.358 3.398 1
1 96 . 12 1 1 A 15 15 CYS H H 15 9.327 9.377 -0.050 1
1 97 . 12 1 1 A 15 15 CYS CA C 15 59.366 58.934 0.432 1
1 98 . 12 1 1 A 15 15 CYS HA H 15 4.576 4.664 -0.088 1
1 99 . 12 1 1 A 15 15 CYS CB C 15 29.545 28.435 1.110 1
1 101 . 12 1 1 A 15 15 CYS C C 15 176.864 176.151 0.713 1
1 103 . 12 1 1 A 16 16 ASN N N 16 130.374 127.037 3.337 1
1 104 . 12 1 1 A 16 16 ASN H H 16 9.432 9.279 0.153 1
1 105 . 12 1 1 A 16 16 ASN CA C 16 55.639 52.785 2.854 1
1 106 . 12 1 1 A 16 16 ASN HA H 16 4.517 5.003 -0.486 1
1 107 . 12 1 1 A 16 16 ASN CB C 16 38.395 38.689 -0.294 1
1 112 . 12 1 1 A 16 16 ASN C C 16 175.480 176.394 -0.914 1
1 114 . 12 1 1 A 17 17 GLU N N 17 120.722 118.671 2.051 1
1 115 . 12 1 1 A 17 17 GLU H H 17 8.665 7.867 0.798 1
1 116 . 12 1 1 A 17 17 GLU CA C 17 58.443 57.941 0.502 1
1 117 . 12 1 1 A 17 17 GLU HA H 17 4.213 4.085 0.128 1
1 118 . 12 1 1 A 17 17 GLU CB C 17 29.431 29.721 -0.290 1
1 122 . 12 1 1 A 17 17 GLU C C 17 177.092 177.545 -0.453 1
1 125 . 12 1 1 A 18 18 CYS N N 18 114.544 114.778 -0.234 1
1 126 . 12 1 1 A 18 18 CYS H H 18 7.925 7.873 0.052 1
1 127 . 12 1 1 A 18 18 CYS CA C 18 58.372 59.666 -1.294 1
1 128 . 12 1 1 A 18 18 CYS HA H 18 5.179 4.767 0.412 1
1 129 . 12 1 1 A 18 18 CYS CB C 18 32.404 29.766 2.638 1
1 131 . 12 1 1 A 18 18 CYS C C 18 176.255 175.677 0.578 1
1 133 . 12 1 1 A 19 19 GLY N N 19 113.579 109.485 4.094 1
1 134 . 12 1 1 A 19 19 GLY H H 19 8.223 7.999 0.224 1
1 135 . 12 1 1 A 19 19 GLY CA C 19 46.317 45.289 1.028 1
1 136 . 12 1 1 A 19 19 GLY HA3 H 19 4.247 4.051 0.196 1
1 137 . 12 1 1 A 19 19 GLY C C 19 173.572 174.711 -1.139 1
1 138 . 12 1 1 A 19 19 GLY HA2 H 19 3.732 4.046 -0.314 1
1 139 . 12 1 1 A 20 20 LYS N N 20 122.482 120.706 1.776 1
1 140 . 12 1 1 A 20 20 LYS H H 20 7.873 7.494 0.379 1
1 141 . 12 1 1 A 20 20 LYS CA C 20 58.246 56.885 1.361 1
1 142 . 12 1 1 A 20 20 LYS HA H 20 4.002 4.206 -0.204 1
1 143 . 12 1 1 A 20 20 LYS CB C 20 33.912 33.613 0.299 1
1 151 . 12 1 1 A 20 20 LYS C C 20 174.324 175.296 -0.972 1
1 156 . 12 1 1 A 21 21 VAL N N 21 116.394 121.620 -5.226 1
1 157 . 12 1 1 A 21 21 VAL H H 21 7.573 8.151 -0.578 1
1 158 . 12 1 1 A 21 21 VAL CA C 21 60.262 60.543 -0.281 1
1 159 . 12 1 1 A 21 21 VAL HA H 21 4.816 5.049 -0.233 1
1 160 . 12 1 1 A 21 21 VAL CB C 21 33.936 35.746 -1.810 1
1 170 . 12 1 1 A 21 21 VAL C C 21 175.317 174.431 0.886 1
1 171 . 12 1 1 A 22 22 PHE N N 22 120.431 124.074 -3.643 1
1 172 . 12 1 1 A 22 22 PHE H H 22 8.792 9.149 -0.357 1
1 173 . 12 1 1 A 22 22 PHE CA C 22 56.890 56.503 0.387 1
1 174 . 12 1 1 A 22 22 PHE HA H 22 4.824 5.091 -0.267 1
1 175 . 12 1 1 A 22 22 PHE CB C 22 44.119 43.882 0.237 1
1 187 . 12 1 1 A 22 22 PHE C C 22 175.683 174.832 0.851 1
1 189 . 12 1 1 A 23 23 ARG N N 23 119.340 122.730 -3.390 1
1 190 . 12 1 1 A 23 23 ARG H H 23 9.329 9.072 0.257 1
1 191 . 12 1 1 A 23 23 ARG CA C 23 57.346 55.905 1.441 1
1 192 . 12 1 1 A 23 23 ARG HA H 23 4.466 4.810 -0.344 1
1 193 . 12 1 1 A 23 23 ARG CB C 23 31.371 31.365 0.006 1
1 199 . 12 1 1 A 23 23 ARG C C 23 175.065 175.493 -0.428 1
1 203 . 12 1 1 A 24 24 HIS N N 24 113.216 119.196 -5.980 1
1 204 . 12 1 1 A 24 24 HIS H H 24 7.128 7.710 -0.582 1
1 205 . 12 1 1 A 24 24 HIS CA C 24 55.437 55.933 -0.496 1
1 206 . 12 1 1 A 24 24 HIS HA H 24 4.657 4.351 0.306 1
1 207 . 12 1 1 A 24 24 HIS CB C 24 34.517 31.442 3.075 1
1 213 . 12 1 1 A 24 24 HIS C C 24 175.558 173.941 1.617 1
1 215 . 12 1 1 A 25 25 ASN CA C 25 56.177 55.434 0.743 1
1 216 . 12 1 1 A 25 25 ASN HA H 25 3.662 3.917 -0.255 1
1 217 . 12 1 1 A 25 25 ASN CB C 25 38.311 37.651 0.660 1
1 223 . 12 1 1 A 26 26 SER CA C 26 61.298 60.605 0.693 1
1 224 . 12 1 1 A 26 26 SER HA H 26 4.085 4.141 -0.056 1
1 225 . 12 1 1 A 26 26 SER CB C 26 61.728 63.233 -1.505 1
1 227 . 12 1 1 A 26 26 SER C C 26 177.140 176.127 1.013 1
1 229 . 12 1 1 A 27 27 TYR N N 27 121.463 119.330 2.133 1
1 230 . 12 1 1 A 27 27 TYR H H 27 6.951 7.437 -0.486 1
1 231 . 12 1 1 A 27 27 TYR CA C 27 58.633 60.316 -1.683 1
1 232 . 12 1 1 A 27 27 TYR HA H 27 4.342 4.391 -0.049 1
1 233 . 12 1 1 A 27 27 TYR CB C 27 37.464 39.181 -1.717 1
1 243 . 12 1 1 A 27 27 TYR C C 27 178.472 178.019 0.453 1
1 245 . 12 1 1 A 28 28 LEU N N 28 122.153 122.648 -0.495 1
1 246 . 12 1 1 A 28 28 LEU H H 28 7.064 8.004 -0.940 1
1 247 . 12 1 1 A 28 28 LEU CA C 28 58.022 57.347 0.675 1
1 248 . 12 1 1 A 28 28 LEU HA H 28 3.260 3.235 0.025 1
1 249 . 12 1 1 A 28 28 LEU CB C 28 40.390 41.529 -1.139 1
1 261 . 12 1 1 A 28 28 LEU C C 28 177.619 178.308 -0.689 1
1 263 . 12 1 1 A 29 29 SER N N 29 114.652 114.763 -0.111 1
1 264 . 12 1 1 A 29 29 SER H H 29 8.415 8.227 0.188 1
1 265 . 12 1 1 A 29 29 SER CA C 29 61.724 61.415 0.309 1
1 266 . 12 1 1 A 29 29 SER HA H 29 4.222 4.053 0.169 1
1 267 . 12 1 1 A 29 29 SER CB C 29 62.466 62.929 -0.463 1
1 269 . 12 1 1 A 29 29 SER C C 29 177.182 176.551 0.631 1
1 271 . 12 1 1 A 30 30 ARG N N 30 119.728 119.164 0.564 1
1 272 . 12 1 1 A 30 30 ARG H H 30 7.390 7.732 -0.342 1
1 273 . 12 1 1 A 30 30 ARG CA C 30 59.144 58.501 0.643 1
1 274 . 12 1 1 A 30 30 ARG HA H 30 3.997 4.131 -0.134 1
1 275 . 12 1 1 A 30 30 ARG CB C 30 30.280 29.718 0.562 1
1 281 . 12 1 1 A 30 30 ARG C C 30 178.647 178.249 0.398 1
1 285 . 12 1 1 A 31 31 HIS N N 31 119.367 120.106 -0.739 1
1 286 . 12 1 1 A 31 31 HIS H H 31 7.628 8.159 -0.531 1
1 287 . 12 1 1 A 31 31 HIS CA C 31 59.077 58.959 0.118 1
1 288 . 12 1 1 A 31 31 HIS HA H 31 4.224 4.204 0.020 1
1 289 . 12 1 1 A 31 31 HIS CB C 31 28.526 30.043 -1.517 1
1 295 . 12 1 1 A 31 31 HIS C C 31 176.140 177.128 -0.988 1
1 297 . 12 1 1 A 32 32 GLN N N 32 115.298 117.447 -2.149 1
1 298 . 12 1 1 A 32 32 GLN H H 32 8.337 8.416 -0.079 1
1 299 . 12 1 1 A 32 32 GLN CA C 32 59.342 59.284 0.058 1
1 300 . 12 1 1 A 32 32 GLN HA H 32 3.709 3.997 -0.288 1
1 301 . 12 1 1 A 32 32 GLN CB C 32 28.352 28.313 0.039 1
1 310 . 12 1 1 A 33 33 ARG N N 33 117.159 120.043 -2.884 1
1 311 . 12 1 1 A 33 33 ARG H H 33 7.099 7.698 -0.599 1
1 312 . 12 1 1 A 33 33 ARG CA C 33 58.300 58.929 -0.629 1
1 313 . 12 1 1 A 33 33 ARG HA H 33 4.144 4.217 -0.073 1
1 314 . 12 1 1 A 33 33 ARG CB C 33 30.024 29.877 0.147 1
1 320 . 12 1 1 A 33 33 ARG C C 33 178.505 178.816 -0.311 1
1 324 . 12 1 1 A 34 34 ILE N N 34 116.468 117.471 -1.003 1
1 325 . 12 1 1 A 34 34 ILE H H 34 7.818 7.927 -0.109 1
1 326 . 12 1 1 A 34 34 ILE CA C 34 63.072 63.667 -0.595 1
1 327 . 12 1 1 A 34 34 ILE HA H 34 3.975 3.731 0.244 1
1 328 . 12 1 1 A 34 34 ILE CB C 34 37.673 37.300 0.373 1
1 340 . 12 1 1 A 34 34 ILE C C 34 177.406 177.335 0.071 1
1 342 . 12 1 1 A 35 35 HIS N N 35 117.692 120.410 -2.718 1
1 343 . 12 1 1 A 35 35 HIS H H 35 7.220 7.667 -0.447 1
1 344 . 12 1 1 A 35 35 HIS CA C 35 55.298 58.885 -3.587 1
1 345 . 12 1 1 A 35 35 HIS HA H 35 4.858 4.469 0.389 1
1 346 . 12 1 1 A 35 35 HIS CB C 35 28.597 30.795 -2.198 1
1 352 . 12 1 1 A 35 35 HIS C C 35 175.834 178.132 -2.298 1
1 354 . 12 1 1 A 36 36 THR N N 36 111.637 113.567 -1.930 1
1 355 . 12 1 1 A 36 36 THR H H 36 7.791 8.470 -0.679 1
1 356 . 12 1 1 A 36 36 THR CA C 36 62.508 65.288 -2.780 1
1 357 . 12 1 1 A 36 36 THR HA H 36 4.358 3.981 0.377 1
1 358 . 12 1 1 A 36 36 THR CB C 36 69.805 68.037 1.768 1
1 364 . 12 1 1 A 36 36 THR C C 36 175.472 176.956 -1.484 1
1 365 . 12 1 1 A 37 37 GLY N N 37 110.597 110.534 0.063 1
1 366 . 12 1 1 A 37 37 GLY H H 37 8.215 8.313 -0.098 1
1 367 . 12 1 1 A 37 37 GLY CA C 37 45.345 47.290 -1.945 1
1 368 . 12 1 1 A 37 37 GLY HA3 H 37 3.941 3.765 0.176 1
1 369 . 12 1 1 A 37 37 GLY C C 37 174.037 174.464 -0.427 1
1 370 . 12 1 1 A 37 37 GLY HA2 H 37 4.036 3.755 0.281 1
1 371 . 12 1 1 A 38 38 GLU N N 38 120.595 118.260 2.335 1
1 372 . 12 1 1 A 38 38 GLU H H 38 8.082 8.032 0.050 1
1 373 . 12 1 1 A 38 38 GLU CA C 38 56.438 55.401 1.037 1
1 374 . 12 1 1 A 38 38 GLU HA H 38 4.244 4.560 -0.316 1
1 375 . 12 1 1 A 38 38 GLU CB C 38 30.533 30.878 -0.345 1
1 379 . 12 1 1 A 38 38 GLU C C 38 176.198 175.814 0.384 1
1 382 . 12 1 1 A 39 39 LYS N N 39 123.862 126.010 -2.148 1
1 383 . 12 1 1 A 39 39 LYS H H 39 8.413 8.332 0.081 1
1 384 . 12 1 1 A 39 39 LYS CA C 39 54.115 54.773 -0.658 1
1 385 . 12 1 1 A 39 39 LYS HA H 39 4.602 4.213 0.389 1
1 386 . 12 1 1 A 39 39 LYS CB C 39 32.503 33.443 -0.940 1
1 394 . 12 1 1 A 39 39 LYS C C 39 174.491 177.160 -2.669 1
1 399 . 12 1 1 A 40 40 PRO CA C 40 63.230 64.527 -1.297 1
1 400 . 12 1 1 A 40 40 PRO HA H 40 4.457 4.531 -0.074 1
1 401 . 12 1 1 A 40 40 PRO CB C 40 32.215 32.269 -0.054 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.404 44.609 0.795 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.019 4.052 -0.033 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.534 173.108 1.426 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 4.019 4.051 -0.032 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.887 114.999 -2.112 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.161 8.729 -0.568 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.885 60.297 1.588 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.366 5.006 -0.640 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.813 72.057 -2.244 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.242 174.030 1.212 1
1 16 . 13 1 1 A 9 9 GLY N N 9 110.959 114.447 -3.488 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.457 8.875 -0.418 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.259 46.774 -1.515 1
1 19 . 13 1 1 A 9 9 GLY HA3 H 9 3.931 4.014 -0.083 1
1 20 . 13 1 1 A 9 9 GLY C C 9 174.041 173.559 0.482 1
1 21 . 13 1 1 A 9 9 GLY HA2 H 9 3.931 4.013 -0.082 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.453 123.729 -3.276 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.222 8.425 -0.203 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.686 56.119 0.567 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.229 4.537 -0.308 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.533 30.041 0.492 1
1 30 . 13 1 1 A 10 10 GLU C C 10 176.213 175.634 0.579 1
1 33 . 13 1 1 A 11 11 LYS N N 11 122.472 126.180 -3.708 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.251 8.657 -0.406 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 53.888 54.563 -0.675 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.524 4.374 0.150 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 32.818 31.899 0.919 1
1 45 . 13 1 1 A 11 11 LYS C C 11 173.839 176.534 -2.695 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 62.929 64.007 -1.078 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.338 4.359 -0.021 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.388 31.282 1.106 1
1 58 . 13 1 1 A 12 12 PRO C C 12 176.346 175.642 0.704 1
1 62 . 13 1 1 A 13 13 TYR N N 13 119.836 118.906 0.930 1
1 63 . 13 1 1 A 13 13 TYR H H 13 8.099 7.540 0.559 1
1 64 . 13 1 1 A 13 13 TYR CA C 13 57.638 56.479 1.159 1
1 65 . 13 1 1 A 13 13 TYR HA H 13 4.565 5.238 -0.673 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.246 40.120 -1.874 1
1 76 . 13 1 1 A 13 13 TYR C C 13 174.063 174.138 -0.075 1
1 78 . 13 1 1 A 14 14 LYS N N 14 125.222 125.123 0.099 1
1 79 . 13 1 1 A 14 14 LYS H H 14 8.437 8.984 -0.547 1
1 80 . 13 1 1 A 14 14 LYS CA C 14 54.846 54.748 0.098 1
1 81 . 13 1 1 A 14 14 LYS HA H 14 5.044 5.305 -0.261 1
1 82 . 13 1 1 A 14 14 LYS CB C 14 36.065 36.420 -0.355 1
1 90 . 13 1 1 A 14 14 LYS C C 14 174.999 175.214 -0.215 1
1 95 . 13 1 1 A 15 15 CYS N N 15 127.756 125.041 2.715 1
1 96 . 13 1 1 A 15 15 CYS H H 15 9.327 9.570 -0.243 1
1 97 . 13 1 1 A 15 15 CYS CA C 15 59.366 60.117 -0.751 1
1 98 . 13 1 1 A 15 15 CYS HA H 15 4.576 4.554 0.022 1
1 99 . 13 1 1 A 15 15 CYS CB C 15 29.545 28.471 1.074 1
1 101 . 13 1 1 A 15 15 CYS C C 15 176.864 174.695 2.169 1
1 103 . 13 1 1 A 16 16 ASN N N 16 130.374 125.697 4.677 1
1 104 . 13 1 1 A 16 16 ASN H H 16 9.432 8.930 0.502 1
1 105 . 13 1 1 A 16 16 ASN CA C 16 55.639 54.213 1.426 1
1 106 . 13 1 1 A 16 16 ASN HA H 16 4.517 4.735 -0.218 1
1 107 . 13 1 1 A 16 16 ASN CB C 16 38.395 39.044 -0.649 1
1 112 . 13 1 1 A 16 16 ASN C C 16 175.480 177.249 -1.769 1
1 114 . 13 1 1 A 17 17 GLU N N 17 120.722 120.795 -0.073 1
1 115 . 13 1 1 A 17 17 GLU H H 17 8.665 8.204 0.461 1
1 116 . 13 1 1 A 17 17 GLU CA C 17 58.443 58.645 -0.202 1
1 117 . 13 1 1 A 17 17 GLU HA H 17 4.213 3.910 0.303 1
1 118 . 13 1 1 A 17 17 GLU CB C 17 29.431 28.411 1.020 1
1 122 . 13 1 1 A 17 17 GLU C C 17 177.092 177.976 -0.884 1
1 125 . 13 1 1 A 18 18 CYS N N 18 114.544 114.824 -0.280 1
1 126 . 13 1 1 A 18 18 CYS H H 18 7.925 7.783 0.142 1
1 127 . 13 1 1 A 18 18 CYS CA C 18 58.372 59.706 -1.334 1
1 128 . 13 1 1 A 18 18 CYS HA H 18 5.179 4.580 0.599 1
1 129 . 13 1 1 A 18 18 CYS CB C 18 32.404 29.662 2.742 1
1 131 . 13 1 1 A 18 18 CYS C C 18 176.255 175.329 0.926 1
1 133 . 13 1 1 A 19 19 GLY N N 19 113.579 110.416 3.163 1
1 134 . 13 1 1 A 19 19 GLY H H 19 8.223 8.241 -0.018 1
1 135 . 13 1 1 A 19 19 GLY CA C 19 46.317 45.354 0.963 1
1 136 . 13 1 1 A 19 19 GLY HA3 H 19 4.247 4.071 0.176 1
1 137 . 13 1 1 A 19 19 GLY C C 19 173.572 174.289 -0.717 1
1 138 . 13 1 1 A 19 19 GLY HA2 H 19 3.732 4.057 -0.325 1
1 139 . 13 1 1 A 20 20 LYS N N 20 122.482 119.482 3.000 1
1 140 . 13 1 1 A 20 20 LYS H H 20 7.873 7.453 0.420 1
1 141 . 13 1 1 A 20 20 LYS CA C 20 58.246 55.022 3.224 1
1 142 . 13 1 1 A 20 20 LYS HA H 20 4.002 4.592 -0.590 1
1 143 . 13 1 1 A 20 20 LYS CB C 20 33.912 34.265 -0.353 1
1 151 . 13 1 1 A 20 20 LYS C C 20 174.324 175.714 -1.390 1
1 156 . 13 1 1 A 21 21 VAL N N 21 116.394 120.268 -3.874 1
1 157 . 13 1 1 A 21 21 VAL H H 21 7.573 8.230 -0.657 1
1 158 . 13 1 1 A 21 21 VAL CA C 21 60.262 60.834 -0.572 1
1 159 . 13 1 1 A 21 21 VAL HA H 21 4.816 5.122 -0.306 1
1 160 . 13 1 1 A 21 21 VAL CB C 21 33.936 35.649 -1.713 1
1 170 . 13 1 1 A 21 21 VAL C C 21 175.317 174.568 0.749 1
1 171 . 13 1 1 A 22 22 PHE N N 22 120.431 124.849 -4.418 1
1 172 . 13 1 1 A 22 22 PHE H H 22 8.792 9.105 -0.313 1
1 173 . 13 1 1 A 22 22 PHE CA C 22 56.890 56.707 0.183 1
1 174 . 13 1 1 A 22 22 PHE HA H 22 4.824 5.046 -0.222 1
1 175 . 13 1 1 A 22 22 PHE CB C 22 44.119 43.963 0.156 1
1 187 . 13 1 1 A 22 22 PHE C C 22 175.683 175.531 0.152 1
1 189 . 13 1 1 A 23 23 ARG N N 23 119.340 121.827 -2.487 1
1 190 . 13 1 1 A 23 23 ARG H H 23 9.329 9.155 0.174 1
1 191 . 13 1 1 A 23 23 ARG CA C 23 57.346 57.648 -0.302 1
1 192 . 13 1 1 A 23 23 ARG HA H 23 4.466 4.486 -0.020 1
1 193 . 13 1 1 A 23 23 ARG CB C 23 31.371 31.570 -0.199 1
1 199 . 13 1 1 A 23 23 ARG C C 23 175.065 175.352 -0.287 1
1 203 . 13 1 1 A 24 24 HIS N N 24 113.216 117.333 -4.117 1
1 204 . 13 1 1 A 24 24 HIS H H 24 7.128 8.421 -1.293 1
1 205 . 13 1 1 A 24 24 HIS CA C 24 55.437 54.266 1.171 1
1 206 . 13 1 1 A 24 24 HIS HA H 24 4.657 4.611 0.046 1
1 207 . 13 1 1 A 24 24 HIS CB C 24 34.517 31.658 2.859 1
1 213 . 13 1 1 A 24 24 HIS C C 24 175.558 174.843 0.715 1
1 215 . 13 1 1 A 25 25 ASN CA C 25 56.177 56.237 -0.060 1
1 216 . 13 1 1 A 25 25 ASN HA H 25 3.662 3.890 -0.228 1
1 217 . 13 1 1 A 25 25 ASN CB C 25 38.311 38.626 -0.315 1
1 223 . 13 1 1 A 26 26 SER CA C 26 61.298 61.503 -0.205 1
1 224 . 13 1 1 A 26 26 SER HA H 26 4.085 3.952 0.133 1
1 225 . 13 1 1 A 26 26 SER CB C 26 61.728 63.036 -1.308 1
1 227 . 13 1 1 A 26 26 SER C C 26 177.140 176.376 0.764 1
1 229 . 13 1 1 A 27 27 TYR N N 27 121.463 119.419 2.044 1
1 230 . 13 1 1 A 27 27 TYR H H 27 6.951 7.666 -0.715 1
1 231 . 13 1 1 A 27 27 TYR CA C 27 58.633 61.413 -2.780 1
1 232 . 13 1 1 A 27 27 TYR HA H 27 4.342 4.364 -0.022 1
1 233 . 13 1 1 A 27 27 TYR CB C 27 37.464 38.715 -1.251 1
1 243 . 13 1 1 A 27 27 TYR C C 27 178.472 178.110 0.362 1
1 245 . 13 1 1 A 28 28 LEU N N 28 122.153 121.548 0.605 1
1 246 . 13 1 1 A 28 28 LEU H H 28 7.064 7.618 -0.554 1
1 247 . 13 1 1 A 28 28 LEU CA C 28 58.022 57.689 0.333 1
1 248 . 13 1 1 A 28 28 LEU HA H 28 3.260 3.064 0.196 1
1 249 . 13 1 1 A 28 28 LEU CB C 28 40.390 41.028 -0.638 1
1 261 . 13 1 1 A 28 28 LEU C C 28 177.619 178.523 -0.904 1
1 263 . 13 1 1 A 29 29 SER N N 29 114.652 114.571 0.081 1
1 264 . 13 1 1 A 29 29 SER H H 29 8.415 8.392 0.023 1
1 265 . 13 1 1 A 29 29 SER CA C 29 61.724 61.543 0.181 1
1 266 . 13 1 1 A 29 29 SER HA H 29 4.222 4.022 0.200 1
1 267 . 13 1 1 A 29 29 SER CB C 29 62.466 62.974 -0.508 1
1 269 . 13 1 1 A 29 29 SER C C 29 177.182 177.264 -0.082 1
1 271 . 13 1 1 A 30 30 ARG N N 30 119.728 120.811 -1.083 1
1 272 . 13 1 1 A 30 30 ARG H H 30 7.390 7.612 -0.222 1
1 273 . 13 1 1 A 30 30 ARG CA C 30 59.144 59.557 -0.413 1
1 274 . 13 1 1 A 30 30 ARG HA H 30 3.997 4.056 -0.059 1
1 275 . 13 1 1 A 30 30 ARG CB C 30 30.280 29.946 0.334 1
1 281 . 13 1 1 A 30 30 ARG C C 30 178.647 178.847 -0.200 1
1 285 . 13 1 1 A 31 31 HIS N N 31 119.367 119.878 -0.511 1
1 286 . 13 1 1 A 31 31 HIS H H 31 7.628 7.869 -0.241 1
1 287 . 13 1 1 A 31 31 HIS CA C 31 59.077 59.664 -0.587 1
1 288 . 13 1 1 A 31 31 HIS HA H 31 4.224 4.249 -0.025 1
1 289 . 13 1 1 A 31 31 HIS CB C 31 28.526 30.073 -1.547 1
1 295 . 13 1 1 A 31 31 HIS C C 31 176.140 176.707 -0.567 1
1 297 . 13 1 1 A 32 32 GLN N N 32 115.298 117.312 -2.014 1
1 298 . 13 1 1 A 32 32 GLN H H 32 8.337 8.539 -0.202 1
1 299 . 13 1 1 A 32 32 GLN CA C 32 59.342 59.097 0.245 1
1 300 . 13 1 1 A 32 32 GLN HA H 32 3.709 3.740 -0.031 1
1 301 . 13 1 1 A 32 32 GLN CB C 32 28.352 28.220 0.132 1
1 310 . 13 1 1 A 33 33 ARG N N 33 117.159 119.914 -2.755 1
1 311 . 13 1 1 A 33 33 ARG H H 33 7.099 7.690 -0.591 1
1 312 . 13 1 1 A 33 33 ARG CA C 33 58.300 59.130 -0.830 1
1 313 . 13 1 1 A 33 33 ARG HA H 33 4.144 3.920 0.224 1
1 314 . 13 1 1 A 33 33 ARG CB C 33 30.024 30.000 0.024 1
1 320 . 13 1 1 A 33 33 ARG C C 33 178.505 178.358 0.147 1
1 324 . 13 1 1 A 34 34 ILE N N 34 116.468 116.935 -0.467 1
1 325 . 13 1 1 A 34 34 ILE H H 34 7.818 7.818 0.000 1
1 326 . 13 1 1 A 34 34 ILE CA C 34 63.072 63.720 -0.648 1
1 327 . 13 1 1 A 34 34 ILE HA H 34 3.975 3.803 0.172 1
1 328 . 13 1 1 A 34 34 ILE CB C 34 37.673 37.330 0.343 1
1 340 . 13 1 1 A 34 34 ILE C C 34 177.406 176.822 0.584 1
1 342 . 13 1 1 A 35 35 HIS N N 35 117.692 119.675 -1.983 1
1 343 . 13 1 1 A 35 35 HIS H H 35 7.220 7.911 -0.691 1
1 344 . 13 1 1 A 35 35 HIS CA C 35 55.298 54.689 0.609 1
1 345 . 13 1 1 A 35 35 HIS HA H 35 4.858 4.686 0.172 1
1 346 . 13 1 1 A 35 35 HIS CB C 35 28.597 28.366 0.231 1
1 352 . 13 1 1 A 35 35 HIS C C 35 175.834 175.531 0.303 1
1 354 . 13 1 1 A 36 36 THR N N 36 111.637 110.845 0.792 1
1 355 . 13 1 1 A 36 36 THR H H 36 7.791 7.578 0.213 1
1 356 . 13 1 1 A 36 36 THR CA C 36 62.508 62.491 0.017 1
1 357 . 13 1 1 A 36 36 THR HA H 36 4.358 4.424 -0.066 1
1 358 . 13 1 1 A 36 36 THR CB C 36 69.805 69.913 -0.108 1
1 364 . 13 1 1 A 36 36 THR C C 36 175.472 175.586 -0.114 1
1 365 . 13 1 1 A 37 37 GLY N N 37 110.597 110.207 0.390 1
1 366 . 13 1 1 A 37 37 GLY H H 37 8.215 7.993 0.222 1
1 367 . 13 1 1 A 37 37 GLY CA C 37 45.345 45.636 -0.291 1
1 368 . 13 1 1 A 37 37 GLY HA3 H 37 3.941 4.062 -0.121 1
1 369 . 13 1 1 A 37 37 GLY C C 37 174.037 174.454 -0.417 1
1 370 . 13 1 1 A 37 37 GLY HA2 H 37 4.036 4.061 -0.025 1
1 371 . 13 1 1 A 38 38 GLU N N 38 120.595 120.858 -0.263 1
1 372 . 13 1 1 A 38 38 GLU H H 38 8.082 7.982 0.100 1
1 373 . 13 1 1 A 38 38 GLU CA C 38 56.438 54.871 1.567 1
1 374 . 13 1 1 A 38 38 GLU HA H 38 4.244 4.678 -0.434 1
1 375 . 13 1 1 A 38 38 GLU CB C 38 30.533 31.301 -0.768 1
1 379 . 13 1 1 A 38 38 GLU C C 38 176.198 175.774 0.424 1
1 382 . 13 1 1 A 39 39 LYS N N 39 123.862 125.921 -2.059 1
1 383 . 13 1 1 A 39 39 LYS H H 39 8.413 8.436 -0.023 1
1 384 . 13 1 1 A 39 39 LYS CA C 39 54.115 55.489 -1.374 1
1 385 . 13 1 1 A 39 39 LYS HA H 39 4.602 4.331 0.271 1
1 386 . 13 1 1 A 39 39 LYS CB C 39 32.503 32.586 -0.083 1
1 394 . 13 1 1 A 39 39 LYS C C 39 174.491 176.694 -2.203 1
1 399 . 13 1 1 A 40 40 PRO CA C 40 63.230 65.148 -1.918 1
1 400 . 13 1 1 A 40 40 PRO HA H 40 4.457 4.408 0.049 1
1 401 . 13 1 1 A 40 40 PRO CB C 40 32.215 31.998 0.217 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.404 46.107 -0.703 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.019 4.259 -0.240 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.534 171.921 2.613 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 4.019 4.258 -0.239 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.887 116.415 -3.528 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.161 8.467 -0.306 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.885 60.905 0.980 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.366 4.884 -0.518 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.813 70.108 -0.295 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.242 173.684 1.558 1
1 16 . 14 1 1 A 9 9 GLY N N 9 110.959 113.310 -2.351 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.457 8.955 -0.498 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.259 46.160 -0.901 1
1 19 . 14 1 1 A 9 9 GLY HA3 H 9 3.931 4.171 -0.240 1
1 20 . 14 1 1 A 9 9 GLY C C 9 174.041 172.487 1.554 1
1 21 . 14 1 1 A 9 9 GLY HA2 H 9 3.931 4.168 -0.237 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.453 118.924 1.529 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.222 7.906 0.316 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.686 55.087 1.599 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.229 4.836 -0.607 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.533 32.648 -2.115 1
1 30 . 14 1 1 A 10 10 GLU C C 10 176.213 175.049 1.164 1
1 33 . 14 1 1 A 11 11 LYS N N 11 122.472 125.314 -2.842 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.251 8.718 -0.467 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 53.888 52.887 1.001 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.524 4.890 -0.366 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 32.818 34.110 -1.292 1
1 45 . 14 1 1 A 11 11 LYS C C 11 173.839 176.225 -2.386 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 62.929 63.976 -1.047 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.338 4.382 -0.044 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.388 31.369 1.019 1
1 58 . 14 1 1 A 12 12 PRO C C 12 176.346 175.679 0.667 1
1 62 . 14 1 1 A 13 13 TYR N N 13 119.836 118.817 1.019 1
1 63 . 14 1 1 A 13 13 TYR H H 13 8.099 7.662 0.437 1
1 64 . 14 1 1 A 13 13 TYR CA C 13 57.638 56.902 0.736 1
1 65 . 14 1 1 A 13 13 TYR HA H 13 4.565 5.274 -0.709 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.246 40.368 -2.122 1
1 76 . 14 1 1 A 13 13 TYR C C 13 174.063 174.358 -0.295 1
1 78 . 14 1 1 A 14 14 LYS N N 14 125.222 124.364 0.858 1
1 79 . 14 1 1 A 14 14 LYS H H 14 8.437 8.952 -0.515 1
1 80 . 14 1 1 A 14 14 LYS CA C 14 54.846 55.043 -0.197 1
1 81 . 14 1 1 A 14 14 LYS HA H 14 5.044 5.135 -0.091 1
1 82 . 14 1 1 A 14 14 LYS CB C 14 36.065 36.211 -0.146 1
1 90 . 14 1 1 A 14 14 LYS C C 14 174.999 174.438 0.561 1
1 95 . 14 1 1 A 15 15 CYS N N 15 127.756 124.568 3.188 1
1 96 . 14 1 1 A 15 15 CYS H H 15 9.327 9.518 -0.191 1
1 97 . 14 1 1 A 15 15 CYS CA C 15 59.366 59.014 0.352 1
1 98 . 14 1 1 A 15 15 CYS HA H 15 4.576 4.674 -0.098 1
1 99 . 14 1 1 A 15 15 CYS CB C 15 29.545 29.356 0.189 1
1 101 . 14 1 1 A 15 15 CYS C C 15 176.864 175.167 1.697 1
1 103 . 14 1 1 A 16 16 ASN N N 16 130.374 126.220 4.154 1
1 104 . 14 1 1 A 16 16 ASN H H 16 9.432 9.086 0.346 1
1 105 . 14 1 1 A 16 16 ASN CA C 16 55.639 54.802 0.837 1
1 106 . 14 1 1 A 16 16 ASN HA H 16 4.517 4.653 -0.136 1
1 107 . 14 1 1 A 16 16 ASN CB C 16 38.395 38.758 -0.363 1
1 112 . 14 1 1 A 16 16 ASN C C 16 175.480 177.437 -1.957 1
1 114 . 14 1 1 A 17 17 GLU N N 17 120.722 120.987 -0.265 1
1 115 . 14 1 1 A 17 17 GLU H H 17 8.665 8.150 0.515 1
1 116 . 14 1 1 A 17 17 GLU CA C 17 58.443 58.736 -0.293 1
1 117 . 14 1 1 A 17 17 GLU HA H 17 4.213 3.908 0.305 1
1 118 . 14 1 1 A 17 17 GLU CB C 17 29.431 28.402 1.029 1
1 122 . 14 1 1 A 17 17 GLU C C 17 177.092 177.918 -0.826 1
1 125 . 14 1 1 A 18 18 CYS N N 18 114.544 114.897 -0.353 1
1 126 . 14 1 1 A 18 18 CYS H H 18 7.925 7.414 0.511 1
1 127 . 14 1 1 A 18 18 CYS CA C 18 58.372 59.561 -1.189 1
1 128 . 14 1 1 A 18 18 CYS HA H 18 5.179 4.652 0.527 1
1 129 . 14 1 1 A 18 18 CYS CB C 18 32.404 29.872 2.532 1
1 131 . 14 1 1 A 18 18 CYS C C 18 176.255 175.518 0.737 1
1 133 . 14 1 1 A 19 19 GLY N N 19 113.579 110.082 3.497 1
1 134 . 14 1 1 A 19 19 GLY H H 19 8.223 7.996 0.227 1
1 135 . 14 1 1 A 19 19 GLY CA C 19 46.317 45.255 1.062 1
1 136 . 14 1 1 A 19 19 GLY HA3 H 19 4.247 4.063 0.184 1
1 137 . 14 1 1 A 19 19 GLY C C 19 173.572 174.683 -1.111 1
1 138 . 14 1 1 A 19 19 GLY HA2 H 19 3.732 4.057 -0.325 1
1 139 . 14 1 1 A 20 20 LYS N N 20 122.482 121.246 1.236 1
1 140 . 14 1 1 A 20 20 LYS H H 20 7.873 7.576 0.297 1
1 141 . 14 1 1 A 20 20 LYS CA C 20 58.246 57.185 1.061 1
1 142 . 14 1 1 A 20 20 LYS HA H 20 4.002 4.201 -0.199 1
1 143 . 14 1 1 A 20 20 LYS CB C 20 33.912 33.381 0.531 1
1 151 . 14 1 1 A 20 20 LYS C C 20 174.324 175.368 -1.044 1
1 156 . 14 1 1 A 21 21 VAL N N 21 116.394 121.769 -5.375 1
1 157 . 14 1 1 A 21 21 VAL H H 21 7.573 8.175 -0.602 1
1 158 . 14 1 1 A 21 21 VAL CA C 21 60.262 61.010 -0.748 1
1 159 . 14 1 1 A 21 21 VAL HA H 21 4.816 5.043 -0.227 1
1 160 . 14 1 1 A 21 21 VAL CB C 21 33.936 35.151 -1.215 1
1 170 . 14 1 1 A 21 21 VAL C C 21 175.317 174.689 0.628 1
1 171 . 14 1 1 A 22 22 PHE N N 22 120.431 123.960 -3.529 1
1 172 . 14 1 1 A 22 22 PHE H H 22 8.792 9.184 -0.392 1
1 173 . 14 1 1 A 22 22 PHE CA C 22 56.890 56.646 0.244 1
1 174 . 14 1 1 A 22 22 PHE HA H 22 4.824 5.014 -0.190 1
1 175 . 14 1 1 A 22 22 PHE CB C 22 44.119 43.994 0.125 1
1 187 . 14 1 1 A 22 22 PHE C C 22 175.683 175.586 0.097 1
1 189 . 14 1 1 A 23 23 ARG N N 23 119.340 122.156 -2.816 1
1 190 . 14 1 1 A 23 23 ARG H H 23 9.329 9.029 0.300 1
1 191 . 14 1 1 A 23 23 ARG CA C 23 57.346 57.621 -0.275 1
1 192 . 14 1 1 A 23 23 ARG HA H 23 4.466 4.493 -0.027 1
1 193 . 14 1 1 A 23 23 ARG CB C 23 31.371 31.541 -0.170 1
1 199 . 14 1 1 A 23 23 ARG C C 23 175.065 175.372 -0.307 1
1 203 . 14 1 1 A 24 24 HIS N N 24 113.216 117.373 -4.157 1
1 204 . 14 1 1 A 24 24 HIS H H 24 7.128 8.331 -1.203 1
1 205 . 14 1 1 A 24 24 HIS CA C 24 55.437 54.000 1.437 1
1 206 . 14 1 1 A 24 24 HIS HA H 24 4.657 4.493 0.164 1
1 207 . 14 1 1 A 24 24 HIS CB C 24 34.517 31.850 2.667 1
1 213 . 14 1 1 A 24 24 HIS C C 24 175.558 175.921 -0.363 1
1 215 . 14 1 1 A 25 25 ASN CA C 25 56.177 55.746 0.431 1
1 216 . 14 1 1 A 25 25 ASN HA H 25 3.662 3.993 -0.331 1
1 217 . 14 1 1 A 25 25 ASN CB C 25 38.311 37.209 1.102 1
1 223 . 14 1 1 A 26 26 SER CA C 26 61.298 61.644 -0.346 1
1 224 . 14 1 1 A 26 26 SER HA H 26 4.085 3.993 0.092 1
1 225 . 14 1 1 A 26 26 SER CB C 26 61.728 62.911 -1.183 1
1 227 . 14 1 1 A 26 26 SER C C 26 177.140 176.584 0.556 1
1 229 . 14 1 1 A 27 27 TYR N N 27 121.463 119.608 1.855 1
1 230 . 14 1 1 A 27 27 TYR H H 27 6.951 7.738 -0.787 1
1 231 . 14 1 1 A 27 27 TYR CA C 27 58.633 60.713 -2.080 1
1 232 . 14 1 1 A 27 27 TYR HA H 27 4.342 4.402 -0.060 1
1 233 . 14 1 1 A 27 27 TYR CB C 27 37.464 38.820 -1.356 1
1 243 . 14 1 1 A 27 27 TYR C C 27 178.472 177.954 0.518 1
1 245 . 14 1 1 A 28 28 LEU N N 28 122.153 121.589 0.564 1
1 246 . 14 1 1 A 28 28 LEU H H 28 7.064 7.822 -0.758 1
1 247 . 14 1 1 A 28 28 LEU CA C 28 58.022 57.535 0.487 1
1 248 . 14 1 1 A 28 28 LEU HA H 28 3.260 2.819 0.441 1
1 249 . 14 1 1 A 28 28 LEU CB C 28 40.390 41.029 -0.639 1
1 261 . 14 1 1 A 28 28 LEU C C 28 177.619 178.336 -0.717 1
1 263 . 14 1 1 A 29 29 SER N N 29 114.652 114.734 -0.082 1
1 264 . 14 1 1 A 29 29 SER H H 29 8.415 8.444 -0.029 1
1 265 . 14 1 1 A 29 29 SER CA C 29 61.724 61.618 0.106 1
1 266 . 14 1 1 A 29 29 SER HA H 29 4.222 4.031 0.191 1
1 267 . 14 1 1 A 29 29 SER CB C 29 62.466 62.852 -0.386 1
1 269 . 14 1 1 A 29 29 SER C C 29 177.182 177.101 0.081 1
1 271 . 14 1 1 A 30 30 ARG N N 30 119.728 120.742 -1.014 1
1 272 . 14 1 1 A 30 30 ARG H H 30 7.390 7.623 -0.233 1
1 273 . 14 1 1 A 30 30 ARG CA C 30 59.144 59.422 -0.278 1
1 274 . 14 1 1 A 30 30 ARG HA H 30 3.997 4.111 -0.114 1
1 275 . 14 1 1 A 30 30 ARG CB C 30 30.280 29.970 0.310 1
1 281 . 14 1 1 A 30 30 ARG C C 30 178.647 178.879 -0.232 1
1 285 . 14 1 1 A 31 31 HIS N N 31 119.367 120.252 -0.885 1
1 286 . 14 1 1 A 31 31 HIS H H 31 7.628 7.825 -0.197 1
1 287 . 14 1 1 A 31 31 HIS CA C 31 59.077 59.755 -0.678 1
1 288 . 14 1 1 A 31 31 HIS HA H 31 4.224 4.251 -0.027 1
1 289 . 14 1 1 A 31 31 HIS CB C 31 28.526 29.915 -1.389 1
1 295 . 14 1 1 A 31 31 HIS C C 31 176.140 176.980 -0.840 1
1 297 . 14 1 1 A 32 32 GLN N N 32 115.298 117.204 -1.906 1
1 298 . 14 1 1 A 32 32 GLN H H 32 8.337 8.652 -0.315 1
1 299 . 14 1 1 A 32 32 GLN CA C 32 59.342 59.183 0.159 1
1 300 . 14 1 1 A 32 32 GLN HA H 32 3.709 3.891 -0.182 1
1 301 . 14 1 1 A 32 32 GLN CB C 32 28.352 28.256 0.096 1
1 310 . 14 1 1 A 33 33 ARG N N 33 117.159 119.730 -2.571 1
1 311 . 14 1 1 A 33 33 ARG H H 33 7.099 7.768 -0.669 1
1 312 . 14 1 1 A 33 33 ARG CA C 33 58.300 59.116 -0.816 1
1 313 . 14 1 1 A 33 33 ARG HA H 33 4.144 4.010 0.134 1
1 314 . 14 1 1 A 33 33 ARG CB C 33 30.024 29.930 0.094 1
1 320 . 14 1 1 A 33 33 ARG C C 33 178.505 178.464 0.041 1
1 324 . 14 1 1 A 34 34 ILE N N 34 116.468 117.482 -1.014 1
1 325 . 14 1 1 A 34 34 ILE H H 34 7.818 7.976 -0.158 1
1 326 . 14 1 1 A 34 34 ILE CA C 34 63.072 63.742 -0.670 1
1 327 . 14 1 1 A 34 34 ILE HA H 34 3.975 3.742 0.233 1
1 328 . 14 1 1 A 34 34 ILE CB C 34 37.673 37.260 0.413 1
1 340 . 14 1 1 A 34 34 ILE C C 34 177.406 177.385 0.021 1
1 342 . 14 1 1 A 35 35 HIS N N 35 117.692 119.661 -1.969 1
1 343 . 14 1 1 A 35 35 HIS H H 35 7.220 7.741 -0.521 1
1 344 . 14 1 1 A 35 35 HIS CA C 35 55.298 58.574 -3.276 1
1 345 . 14 1 1 A 35 35 HIS HA H 35 4.858 4.460 0.398 1
1 346 . 14 1 1 A 35 35 HIS CB C 35 28.597 31.114 -2.517 1
1 352 . 14 1 1 A 35 35 HIS C C 35 175.834 175.317 0.517 1
1 354 . 14 1 1 A 36 36 THR N N 36 111.637 110.451 1.186 1
1 355 . 14 1 1 A 36 36 THR H H 36 7.791 7.628 0.163 1
1 356 . 14 1 1 A 36 36 THR CA C 36 62.508 61.430 1.078 1
1 357 . 14 1 1 A 36 36 THR HA H 36 4.358 4.302 0.056 1
1 358 . 14 1 1 A 36 36 THR CB C 36 69.805 68.494 1.311 1
1 364 . 14 1 1 A 36 36 THR C C 36 175.472 174.361 1.111 1
1 365 . 14 1 1 A 37 37 GLY N N 37 110.597 111.672 -1.075 1
1 366 . 14 1 1 A 37 37 GLY H H 37 8.215 7.956 0.259 1
1 367 . 14 1 1 A 37 37 GLY CA C 37 45.345 45.859 -0.514 1
1 368 . 14 1 1 A 37 37 GLY HA3 H 37 3.941 4.005 -0.064 1
1 369 . 14 1 1 A 37 37 GLY C C 37 174.037 174.357 -0.320 1
1 370 . 14 1 1 A 37 37 GLY HA2 H 37 4.036 4.003 0.033 1
1 371 . 14 1 1 A 38 38 GLU N N 38 120.595 121.625 -1.030 1
1 372 . 14 1 1 A 38 38 GLU H H 38 8.082 8.196 -0.114 1
1 373 . 14 1 1 A 38 38 GLU CA C 38 56.438 57.359 -0.921 1
1 374 . 14 1 1 A 38 38 GLU HA H 38 4.244 4.297 -0.053 1
1 375 . 14 1 1 A 38 38 GLU CB C 38 30.533 29.895 0.638 1
1 379 . 14 1 1 A 38 38 GLU C C 38 176.198 176.244 -0.046 1
1 382 . 14 1 1 A 39 39 LYS N N 39 123.862 125.207 -1.345 1
1 383 . 14 1 1 A 39 39 LYS H H 39 8.413 8.680 -0.267 1
1 384 . 14 1 1 A 39 39 LYS CA C 39 54.115 52.906 1.209 1
1 385 . 14 1 1 A 39 39 LYS HA H 39 4.602 4.776 -0.174 1
1 386 . 14 1 1 A 39 39 LYS CB C 39 32.503 33.818 -1.315 1
1 394 . 14 1 1 A 39 39 LYS C C 39 174.491 173.913 0.578 1
1 399 . 14 1 1 A 40 40 PRO CA C 40 63.230 62.367 0.863 1
1 400 . 14 1 1 A 40 40 PRO HA H 40 4.457 4.534 -0.077 1
1 401 . 14 1 1 A 40 40 PRO CB C 40 32.215 32.520 -0.305 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.404 44.841 0.563 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.019 4.040 -0.021 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.534 173.121 1.413 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 4.019 4.039 -0.020 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.887 117.638 -4.751 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.161 8.799 -0.638 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.885 61.061 0.824 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.366 4.729 -0.363 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.813 70.006 -0.193 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.242 174.963 0.279 1
1 16 . 15 1 1 A 9 9 GLY N N 9 110.959 114.486 -3.527 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.457 8.296 0.161 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.259 45.158 0.101 1
1 19 . 15 1 1 A 9 9 GLY HA3 H 9 3.931 4.116 -0.185 1
1 20 . 15 1 1 A 9 9 GLY C C 9 174.041 173.271 0.770 1
1 21 . 15 1 1 A 9 9 GLY HA2 H 9 3.931 4.112 -0.181 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.453 125.054 -4.601 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.222 8.206 0.016 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.686 55.199 1.487 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.229 4.914 -0.685 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.533 32.953 -2.420 1
1 30 . 15 1 1 A 10 10 GLU C C 10 176.213 175.200 1.013 1
1 33 . 15 1 1 A 11 11 LYS N N 11 122.472 126.751 -4.279 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.251 8.736 -0.485 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 53.888 54.417 -0.529 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.524 4.555 -0.031 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 32.818 32.011 0.807 1
1 45 . 15 1 1 A 11 11 LYS C C 11 173.839 176.677 -2.838 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 62.929 64.171 -1.242 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.338 4.365 -0.027 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.388 31.302 1.086 1
1 58 . 15 1 1 A 12 12 PRO C C 12 176.346 175.607 0.739 1
1 62 . 15 1 1 A 13 13 TYR N N 13 119.836 118.582 1.254 1
1 63 . 15 1 1 A 13 13 TYR H H 13 8.099 7.630 0.469 1
1 64 . 15 1 1 A 13 13 TYR CA C 13 57.638 56.732 0.906 1
1 65 . 15 1 1 A 13 13 TYR HA H 13 4.565 5.276 -0.711 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.246 40.611 -2.365 1
1 76 . 15 1 1 A 13 13 TYR C C 13 174.063 174.241 -0.178 1
1 78 . 15 1 1 A 14 14 LYS N N 14 125.222 124.346 0.876 1
1 79 . 15 1 1 A 14 14 LYS H H 14 8.437 8.922 -0.485 1
1 80 . 15 1 1 A 14 14 LYS CA C 14 54.846 55.085 -0.239 1
1 81 . 15 1 1 A 14 14 LYS HA H 14 5.044 5.097 -0.053 1
1 82 . 15 1 1 A 14 14 LYS CB C 14 36.065 36.166 -0.101 1
1 90 . 15 1 1 A 14 14 LYS C C 14 174.999 174.583 0.416 1
1 95 . 15 1 1 A 15 15 CYS N N 15 127.756 124.346 3.410 1
1 96 . 15 1 1 A 15 15 CYS H H 15 9.327 9.655 -0.328 1
1 97 . 15 1 1 A 15 15 CYS CA C 15 59.366 59.639 -0.273 1
1 98 . 15 1 1 A 15 15 CYS HA H 15 4.576 4.615 -0.039 1
1 99 . 15 1 1 A 15 15 CYS CB C 15 29.545 28.701 0.844 1
1 101 . 15 1 1 A 15 15 CYS C C 15 176.864 175.354 1.510 1
1 103 . 15 1 1 A 16 16 ASN N N 16 130.374 126.294 4.080 1
1 104 . 15 1 1 A 16 16 ASN H H 16 9.432 9.234 0.198 1
1 105 . 15 1 1 A 16 16 ASN CA C 16 55.639 54.859 0.780 1
1 106 . 15 1 1 A 16 16 ASN HA H 16 4.517 4.708 -0.191 1
1 107 . 15 1 1 A 16 16 ASN CB C 16 38.395 38.904 -0.509 1
1 112 . 15 1 1 A 16 16 ASN C C 16 175.480 177.392 -1.912 1
1 114 . 15 1 1 A 17 17 GLU N N 17 120.722 118.601 2.121 1
1 115 . 15 1 1 A 17 17 GLU H H 17 8.665 8.351 0.314 1
1 116 . 15 1 1 A 17 17 GLU CA C 17 58.443 58.932 -0.489 1
1 117 . 15 1 1 A 17 17 GLU HA H 17 4.213 3.949 0.264 1
1 118 . 15 1 1 A 17 17 GLU CB C 17 29.431 29.112 0.319 1
1 122 . 15 1 1 A 17 17 GLU C C 17 177.092 178.006 -0.914 1
1 125 . 15 1 1 A 18 18 CYS N N 18 114.544 115.132 -0.588 1
1 126 . 15 1 1 A 18 18 CYS H H 18 7.925 7.515 0.410 1
1 127 . 15 1 1 A 18 18 CYS CA C 18 58.372 59.546 -1.174 1
1 128 . 15 1 1 A 18 18 CYS HA H 18 5.179 4.630 0.549 1
1 129 . 15 1 1 A 18 18 CYS CB C 18 32.404 29.835 2.569 1
1 131 . 15 1 1 A 18 18 CYS C C 18 176.255 175.530 0.725 1
1 133 . 15 1 1 A 19 19 GLY N N 19 113.579 110.104 3.475 1
1 134 . 15 1 1 A 19 19 GLY H H 19 8.223 8.040 0.183 1
1 135 . 15 1 1 A 19 19 GLY CA C 19 46.317 45.246 1.071 1
1 136 . 15 1 1 A 19 19 GLY HA3 H 19 4.247 4.077 0.170 1
1 137 . 15 1 1 A 19 19 GLY C C 19 173.572 174.646 -1.074 1
1 138 . 15 1 1 A 19 19 GLY HA2 H 19 3.732 4.063 -0.331 1
1 139 . 15 1 1 A 20 20 LYS N N 20 122.482 121.317 1.165 1
1 140 . 15 1 1 A 20 20 LYS H H 20 7.873 7.515 0.358 1
1 141 . 15 1 1 A 20 20 LYS CA C 20 58.246 57.166 1.080 1
1 142 . 15 1 1 A 20 20 LYS HA H 20 4.002 4.200 -0.198 1
1 143 . 15 1 1 A 20 20 LYS CB C 20 33.912 33.295 0.617 1
1 151 . 15 1 1 A 20 20 LYS C C 20 174.324 175.381 -1.057 1
1 156 . 15 1 1 A 21 21 VAL N N 21 116.394 122.198 -5.804 1
1 157 . 15 1 1 A 21 21 VAL H H 21 7.573 8.258 -0.685 1
1 158 . 15 1 1 A 21 21 VAL CA C 21 60.262 61.036 -0.774 1
1 159 . 15 1 1 A 21 21 VAL HA H 21 4.816 5.171 -0.355 1
1 160 . 15 1 1 A 21 21 VAL CB C 21 33.936 34.511 -0.575 1
1 170 . 15 1 1 A 21 21 VAL C C 21 175.317 174.824 0.493 1
1 171 . 15 1 1 A 22 22 PHE N N 22 120.431 123.786 -3.355 1
1 172 . 15 1 1 A 22 22 PHE H H 22 8.792 9.168 -0.376 1
1 173 . 15 1 1 A 22 22 PHE CA C 22 56.890 56.365 0.525 1
1 174 . 15 1 1 A 22 22 PHE HA H 22 4.824 4.941 -0.117 1
1 175 . 15 1 1 A 22 22 PHE CB C 22 44.119 43.656 0.463 1
1 187 . 15 1 1 A 22 22 PHE C C 22 175.683 176.094 -0.411 1
1 189 . 15 1 1 A 23 23 ARG N N 23 119.340 122.388 -3.048 1
1 190 . 15 1 1 A 23 23 ARG H H 23 9.329 8.842 0.487 1
1 191 . 15 1 1 A 23 23 ARG CA C 23 57.346 58.603 -1.257 1
1 192 . 15 1 1 A 23 23 ARG HA H 23 4.466 4.384 0.082 1
1 193 . 15 1 1 A 23 23 ARG CB C 23 31.371 30.937 0.434 1
1 199 . 15 1 1 A 23 23 ARG C C 23 175.065 176.321 -1.256 1
1 203 . 15 1 1 A 24 24 HIS N N 24 113.216 116.714 -3.498 1
1 204 . 15 1 1 A 24 24 HIS H H 24 7.128 8.293 -1.165 1
1 205 . 15 1 1 A 24 24 HIS CA C 24 55.437 54.587 0.850 1
1 206 . 15 1 1 A 24 24 HIS HA H 24 4.657 4.671 -0.014 1
1 207 . 15 1 1 A 24 24 HIS CB C 24 34.517 31.658 2.859 1
1 213 . 15 1 1 A 24 24 HIS C C 24 175.558 175.915 -0.357 1
1 215 . 15 1 1 A 25 25 ASN CA C 25 56.177 55.674 0.503 1
1 216 . 15 1 1 A 25 25 ASN HA H 25 3.662 3.980 -0.318 1
1 217 . 15 1 1 A 25 25 ASN CB C 25 38.311 36.828 1.483 1
1 223 . 15 1 1 A 26 26 SER CA C 26 61.298 61.520 -0.222 1
1 224 . 15 1 1 A 26 26 SER HA H 26 4.085 3.915 0.170 1
1 225 . 15 1 1 A 26 26 SER CB C 26 61.728 62.924 -1.196 1
1 227 . 15 1 1 A 26 26 SER C C 26 177.140 176.564 0.576 1
1 229 . 15 1 1 A 27 27 TYR N N 27 121.463 119.554 1.909 1
1 230 . 15 1 1 A 27 27 TYR H H 27 6.951 7.824 -0.873 1
1 231 . 15 1 1 A 27 27 TYR CA C 27 58.633 61.179 -2.546 1
1 232 . 15 1 1 A 27 27 TYR HA H 27 4.342 4.401 -0.059 1
1 233 . 15 1 1 A 27 27 TYR CB C 27 37.464 38.089 -0.625 1
1 243 . 15 1 1 A 27 27 TYR C C 27 178.472 177.969 0.503 1
1 245 . 15 1 1 A 28 28 LEU N N 28 122.153 121.615 0.538 1
1 246 . 15 1 1 A 28 28 LEU H H 28 7.064 7.595 -0.531 1
1 247 . 15 1 1 A 28 28 LEU CA C 28 58.022 57.891 0.131 1
1 248 . 15 1 1 A 28 28 LEU HA H 28 3.260 2.823 0.437 1
1 249 . 15 1 1 A 28 28 LEU CB C 28 40.390 41.410 -1.020 1
1 261 . 15 1 1 A 28 28 LEU C C 28 177.619 178.278 -0.659 1
1 263 . 15 1 1 A 29 29 SER N N 29 114.652 114.668 -0.016 1
1 264 . 15 1 1 A 29 29 SER H H 29 8.415 8.381 0.034 1
1 265 . 15 1 1 A 29 29 SER CA C 29 61.724 61.893 -0.169 1
1 266 . 15 1 1 A 29 29 SER HA H 29 4.222 3.986 0.236 1
1 267 . 15 1 1 A 29 29 SER CB C 29 62.466 62.501 -0.035 1
1 269 . 15 1 1 A 29 29 SER C C 29 177.182 176.789 0.393 1
1 271 . 15 1 1 A 30 30 ARG N N 30 119.728 121.524 -1.796 1
1 272 . 15 1 1 A 30 30 ARG H H 30 7.390 7.682 -0.292 1
1 273 . 15 1 1 A 30 30 ARG CA C 30 59.144 59.581 -0.437 1
1 274 . 15 1 1 A 30 30 ARG HA H 30 3.997 4.117 -0.120 1
1 275 . 15 1 1 A 30 30 ARG CB C 30 30.280 29.696 0.584 1
1 281 . 15 1 1 A 30 30 ARG C C 30 178.647 178.589 0.058 1
1 285 . 15 1 1 A 31 31 HIS N N 31 119.367 119.988 -0.621 1
1 286 . 15 1 1 A 31 31 HIS H H 31 7.628 8.023 -0.395 1
1 287 . 15 1 1 A 31 31 HIS CA C 31 59.077 59.768 -0.691 1
1 288 . 15 1 1 A 31 31 HIS HA H 31 4.224 4.318 -0.094 1
1 289 . 15 1 1 A 31 31 HIS CB C 31 28.526 30.067 -1.541 1
1 295 . 15 1 1 A 31 31 HIS C C 31 176.140 176.724 -0.584 1
1 297 . 15 1 1 A 32 32 GLN N N 32 115.298 117.253 -1.955 1
1 298 . 15 1 1 A 32 32 GLN H H 32 8.337 8.412 -0.075 1
1 299 . 15 1 1 A 32 32 GLN CA C 32 59.342 59.047 0.295 1
1 300 . 15 1 1 A 32 32 GLN HA H 32 3.709 3.650 0.059 1
1 301 . 15 1 1 A 32 32 GLN CB C 32 28.352 28.235 0.117 1
1 310 . 15 1 1 A 33 33 ARG N N 33 117.159 120.158 -2.999 1
1 311 . 15 1 1 A 33 33 ARG H H 33 7.099 8.100 -1.001 1
1 312 . 15 1 1 A 33 33 ARG CA C 33 58.300 58.999 -0.699 1
1 313 . 15 1 1 A 33 33 ARG HA H 33 4.144 4.071 0.073 1
1 314 . 15 1 1 A 33 33 ARG CB C 33 30.024 29.857 0.167 1
1 320 . 15 1 1 A 33 33 ARG C C 33 178.505 178.758 -0.253 1
1 324 . 15 1 1 A 34 34 ILE N N 34 116.468 117.937 -1.469 1
1 325 . 15 1 1 A 34 34 ILE H H 34 7.818 7.944 -0.126 1
1 326 . 15 1 1 A 34 34 ILE CA C 34 63.072 63.716 -0.644 1
1 327 . 15 1 1 A 34 34 ILE HA H 34 3.975 3.728 0.247 1
1 328 . 15 1 1 A 34 34 ILE CB C 34 37.673 37.263 0.410 1
1 340 . 15 1 1 A 34 34 ILE C C 34 177.406 177.510 -0.104 1
1 342 . 15 1 1 A 35 35 HIS N N 35 117.692 120.076 -2.384 1
1 343 . 15 1 1 A 35 35 HIS H H 35 7.220 7.629 -0.409 1
1 344 . 15 1 1 A 35 35 HIS CA C 35 55.298 59.212 -3.914 1
1 345 . 15 1 1 A 35 35 HIS HA H 35 4.858 4.413 0.445 1
1 346 . 15 1 1 A 35 35 HIS CB C 35 28.597 31.135 -2.538 1
1 352 . 15 1 1 A 35 35 HIS C C 35 175.834 176.388 -0.554 1
1 354 . 15 1 1 A 36 36 THR N N 36 111.637 110.284 1.353 1
1 355 . 15 1 1 A 36 36 THR H H 36 7.791 7.871 -0.080 1
1 356 . 15 1 1 A 36 36 THR CA C 36 62.508 61.512 0.996 1
1 357 . 15 1 1 A 36 36 THR HA H 36 4.358 4.256 0.102 1
1 358 . 15 1 1 A 36 36 THR CB C 36 69.805 68.517 1.288 1
1 364 . 15 1 1 A 36 36 THR C C 36 175.472 175.307 0.165 1
1 365 . 15 1 1 A 37 37 GLY N N 37 110.597 110.990 -0.393 1
1 366 . 15 1 1 A 37 37 GLY H H 37 8.215 8.580 -0.365 1
1 367 . 15 1 1 A 37 37 GLY CA C 37 45.345 44.598 0.747 1
1 368 . 15 1 1 A 37 37 GLY HA3 H 37 3.941 4.007 -0.066 1
1 369 . 15 1 1 A 37 37 GLY C C 37 174.037 174.036 0.001 1
1 370 . 15 1 1 A 37 37 GLY HA2 H 37 4.036 3.999 0.037 1
1 371 . 15 1 1 A 38 38 GLU N N 38 120.595 125.032 -4.437 1
1 372 . 15 1 1 A 38 38 GLU H H 38 8.082 8.418 -0.336 1
1 373 . 15 1 1 A 38 38 GLU CA C 38 56.438 55.281 1.157 1
1 374 . 15 1 1 A 38 38 GLU HA H 38 4.244 4.402 -0.158 1
1 375 . 15 1 1 A 38 38 GLU CB C 38 30.533 28.068 2.465 1
1 379 . 15 1 1 A 38 38 GLU C C 38 176.198 175.286 0.912 1
1 382 . 15 1 1 A 39 39 LYS N N 39 123.862 126.266 -2.404 1
1 383 . 15 1 1 A 39 39 LYS H H 39 8.413 7.681 0.732 1
1 384 . 15 1 1 A 39 39 LYS CA C 39 54.115 52.729 1.386 1
1 385 . 15 1 1 A 39 39 LYS HA H 39 4.602 4.870 -0.268 1
1 386 . 15 1 1 A 39 39 LYS CB C 39 32.503 33.690 -1.187 1
1 394 . 15 1 1 A 39 39 LYS C C 39 174.491 174.998 -0.507 1
1 399 . 15 1 1 A 40 40 PRO CA C 40 63.230 64.618 -1.388 1
1 400 . 15 1 1 A 40 40 PRO HA H 40 4.457 4.486 -0.029 1
1 401 . 15 1 1 A 40 40 PRO CB C 40 32.215 32.085 0.130 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.404 45.287 0.117 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.019 4.054 -0.035 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.534 173.392 1.142 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 4.019 4.053 -0.034 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.887 118.608 -5.721 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.161 8.186 -0.025 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.885 59.427 2.458 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.366 5.123 -0.757 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.813 72.099 -2.286 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.242 172.872 2.370 1
1 16 . 16 1 1 A 9 9 GLY N N 9 110.959 114.390 -3.431 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.457 8.573 -0.116 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.259 44.653 0.606 1
1 19 . 16 1 1 A 9 9 GLY HA3 H 9 3.931 4.049 -0.118 1
1 20 . 16 1 1 A 9 9 GLY C C 9 174.041 172.974 1.067 1
1 21 . 16 1 1 A 9 9 GLY HA2 H 9 3.931 4.045 -0.114 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.453 120.375 0.078 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.222 8.616 -0.394 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.686 54.903 1.783 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.229 4.885 -0.656 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.533 33.221 -2.688 1
1 30 . 16 1 1 A 10 10 GLU C C 10 176.213 175.807 0.406 1
1 33 . 16 1 1 A 11 11 LYS N N 11 122.472 124.235 -1.763 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.251 8.788 -0.537 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 53.888 54.431 -0.543 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.524 4.471 0.053 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 32.818 31.806 1.012 1
1 45 . 16 1 1 A 11 11 LYS C C 11 173.839 176.598 -2.759 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 62.929 64.022 -1.093 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.338 4.357 -0.019 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.388 31.248 1.140 1
1 58 . 16 1 1 A 12 12 PRO C C 12 176.346 175.663 0.683 1
1 62 . 16 1 1 A 13 13 TYR N N 13 119.836 118.935 0.901 1
1 63 . 16 1 1 A 13 13 TYR H H 13 8.099 7.517 0.582 1
1 64 . 16 1 1 A 13 13 TYR CA C 13 57.638 56.609 1.029 1
1 65 . 16 1 1 A 13 13 TYR HA H 13 4.565 5.254 -0.689 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.246 40.149 -1.903 1
1 76 . 16 1 1 A 13 13 TYR C C 13 174.063 174.298 -0.235 1
1 78 . 16 1 1 A 14 14 LYS N N 14 125.222 124.980 0.242 1
1 79 . 16 1 1 A 14 14 LYS H H 14 8.437 9.001 -0.564 1
1 80 . 16 1 1 A 14 14 LYS CA C 14 54.846 54.788 0.058 1
1 81 . 16 1 1 A 14 14 LYS HA H 14 5.044 5.217 -0.173 1
1 82 . 16 1 1 A 14 14 LYS CB C 14 36.065 36.140 -0.075 1
1 90 . 16 1 1 A 14 14 LYS C C 14 174.999 175.353 -0.354 1
1 95 . 16 1 1 A 15 15 CYS N N 15 127.756 125.443 2.313 1
1 96 . 16 1 1 A 15 15 CYS H H 15 9.327 9.119 0.208 1
1 97 . 16 1 1 A 15 15 CYS CA C 15 59.366 59.956 -0.590 1
1 98 . 16 1 1 A 15 15 CYS HA H 15 4.576 4.490 0.086 1
1 99 . 16 1 1 A 15 15 CYS CB C 15 29.545 28.407 1.138 1
1 101 . 16 1 1 A 15 15 CYS C C 15 176.864 174.860 2.004 1
1 103 . 16 1 1 A 16 16 ASN N N 16 130.374 125.351 5.023 1
1 104 . 16 1 1 A 16 16 ASN H H 16 9.432 8.870 0.562 1
1 105 . 16 1 1 A 16 16 ASN CA C 16 55.639 54.251 1.388 1
1 106 . 16 1 1 A 16 16 ASN HA H 16 4.517 4.804 -0.287 1
1 107 . 16 1 1 A 16 16 ASN CB C 16 38.395 39.065 -0.670 1
1 112 . 16 1 1 A 16 16 ASN C C 16 175.480 177.348 -1.868 1
1 114 . 16 1 1 A 17 17 GLU N N 17 120.722 119.908 0.814 1
1 115 . 16 1 1 A 17 17 GLU H H 17 8.665 8.218 0.447 1
1 116 . 16 1 1 A 17 17 GLU CA C 17 58.443 58.767 -0.324 1
1 117 . 16 1 1 A 17 17 GLU HA H 17 4.213 3.907 0.306 1
1 118 . 16 1 1 A 17 17 GLU CB C 17 29.431 28.421 1.010 1
1 122 . 16 1 1 A 17 17 GLU C C 17 177.092 177.943 -0.851 1
1 125 . 16 1 1 A 18 18 CYS N N 18 114.544 114.890 -0.346 1
1 126 . 16 1 1 A 18 18 CYS H H 18 7.925 7.843 0.082 1
1 127 . 16 1 1 A 18 18 CYS CA C 18 58.372 59.613 -1.241 1
1 128 . 16 1 1 A 18 18 CYS HA H 18 5.179 4.601 0.578 1
1 129 . 16 1 1 A 18 18 CYS CB C 18 32.404 29.712 2.692 1
1 131 . 16 1 1 A 18 18 CYS C C 18 176.255 175.585 0.670 1
1 133 . 16 1 1 A 19 19 GLY N N 19 113.579 110.431 3.148 1
1 134 . 16 1 1 A 19 19 GLY H H 19 8.223 8.307 -0.084 1
1 135 . 16 1 1 A 19 19 GLY CA C 19 46.317 45.605 0.712 1
1 136 . 16 1 1 A 19 19 GLY HA3 H 19 4.247 3.975 0.272 1
1 137 . 16 1 1 A 19 19 GLY C C 19 173.572 174.304 -0.732 1
1 138 . 16 1 1 A 19 19 GLY HA2 H 19 3.732 3.964 -0.232 1
1 139 . 16 1 1 A 20 20 LYS N N 20 122.482 118.953 3.529 1
1 140 . 16 1 1 A 20 20 LYS H H 20 7.873 7.405 0.468 1
1 141 . 16 1 1 A 20 20 LYS CA C 20 58.246 55.084 3.162 1
1 142 . 16 1 1 A 20 20 LYS HA H 20 4.002 4.589 -0.587 1
1 143 . 16 1 1 A 20 20 LYS CB C 20 33.912 34.446 -0.534 1
1 151 . 16 1 1 A 20 20 LYS C C 20 174.324 175.439 -1.115 1
1 156 . 16 1 1 A 21 21 VAL N N 21 116.394 119.324 -2.930 1
1 157 . 16 1 1 A 21 21 VAL H H 21 7.573 8.020 -0.447 1
1 158 . 16 1 1 A 21 21 VAL CA C 21 60.262 60.263 -0.001 1
1 159 . 16 1 1 A 21 21 VAL HA H 21 4.816 4.864 -0.048 1
1 160 . 16 1 1 A 21 21 VAL CB C 21 33.936 35.851 -1.915 1
1 170 . 16 1 1 A 21 21 VAL C C 21 175.317 174.296 1.021 1
1 171 . 16 1 1 A 22 22 PHE N N 22 120.431 124.279 -3.848 1
1 172 . 16 1 1 A 22 22 PHE H H 22 8.792 8.950 -0.158 1
1 173 . 16 1 1 A 22 22 PHE CA C 22 56.890 56.705 0.185 1
1 174 . 16 1 1 A 22 22 PHE HA H 22 4.824 5.084 -0.260 1
1 175 . 16 1 1 A 22 22 PHE CB C 22 44.119 44.029 0.090 1
1 187 . 16 1 1 A 22 22 PHE C C 22 175.683 175.782 -0.099 1
1 189 . 16 1 1 A 23 23 ARG N N 23 119.340 120.542 -1.202 1
1 190 . 16 1 1 A 23 23 ARG H H 23 9.329 9.207 0.122 1
1 191 . 16 1 1 A 23 23 ARG CA C 23 57.346 57.924 -0.578 1
1 192 . 16 1 1 A 23 23 ARG HA H 23 4.466 4.590 -0.124 1
1 193 . 16 1 1 A 23 23 ARG CB C 23 31.371 31.367 0.004 1
1 199 . 16 1 1 A 23 23 ARG C C 23 175.065 176.136 -1.071 1
1 203 . 16 1 1 A 24 24 HIS N N 24 113.216 116.919 -3.703 1
1 204 . 16 1 1 A 24 24 HIS H H 24 7.128 8.460 -1.332 1
1 205 . 16 1 1 A 24 24 HIS CA C 24 55.437 54.516 0.921 1
1 206 . 16 1 1 A 24 24 HIS HA H 24 4.657 4.714 -0.057 1
1 207 . 16 1 1 A 24 24 HIS CB C 24 34.517 31.486 3.031 1
1 213 . 16 1 1 A 24 24 HIS C C 24 175.558 175.925 -0.367 1
1 215 . 16 1 1 A 25 25 ASN CA C 25 56.177 55.634 0.543 1
1 216 . 16 1 1 A 25 25 ASN HA H 25 3.662 3.854 -0.192 1
1 217 . 16 1 1 A 25 25 ASN CB C 25 38.311 37.084 1.227 1
1 223 . 16 1 1 A 26 26 SER CA C 26 61.298 61.490 -0.192 1
1 224 . 16 1 1 A 26 26 SER HA H 26 4.085 3.948 0.137 1
1 225 . 16 1 1 A 26 26 SER CB C 26 61.728 62.953 -1.225 1
1 227 . 16 1 1 A 26 26 SER C C 26 177.140 176.375 0.765 1
1 229 . 16 1 1 A 27 27 TYR N N 27 121.463 119.272 2.191 1
1 230 . 16 1 1 A 27 27 TYR H H 27 6.951 7.531 -0.580 1
1 231 . 16 1 1 A 27 27 TYR CA C 27 58.633 61.173 -2.540 1
1 232 . 16 1 1 A 27 27 TYR HA H 27 4.342 4.315 0.027 1
1 233 . 16 1 1 A 27 27 TYR CB C 27 37.464 38.382 -0.918 1
1 243 . 16 1 1 A 27 27 TYR C C 27 178.472 178.020 0.452 1
1 245 . 16 1 1 A 28 28 LEU N N 28 122.153 121.363 0.790 1
1 246 . 16 1 1 A 28 28 LEU H H 28 7.064 7.854 -0.790 1
1 247 . 16 1 1 A 28 28 LEU CA C 28 58.022 57.684 0.338 1
1 248 . 16 1 1 A 28 28 LEU HA H 28 3.260 3.106 0.154 1
1 249 . 16 1 1 A 28 28 LEU CB C 28 40.390 41.068 -0.678 1
1 261 . 16 1 1 A 28 28 LEU C C 28 177.619 178.374 -0.755 1
1 263 . 16 1 1 A 29 29 SER N N 29 114.652 114.755 -0.103 1
1 264 . 16 1 1 A 29 29 SER H H 29 8.415 8.125 0.290 1
1 265 . 16 1 1 A 29 29 SER CA C 29 61.724 61.611 0.113 1
1 266 . 16 1 1 A 29 29 SER HA H 29 4.222 3.978 0.244 1
1 267 . 16 1 1 A 29 29 SER CB C 29 62.466 62.853 -0.387 1
1 269 . 16 1 1 A 29 29 SER C C 29 177.182 177.138 0.044 1
1 271 . 16 1 1 A 30 30 ARG N N 30 119.728 121.085 -1.357 1
1 272 . 16 1 1 A 30 30 ARG H H 30 7.390 7.406 -0.016 1
1 273 . 16 1 1 A 30 30 ARG CA C 30 59.144 59.515 -0.371 1
1 274 . 16 1 1 A 30 30 ARG HA H 30 3.997 4.091 -0.094 1
1 275 . 16 1 1 A 30 30 ARG CB C 30 30.280 29.691 0.589 1
1 281 . 16 1 1 A 30 30 ARG C C 30 178.647 178.644 0.003 1
1 285 . 16 1 1 A 31 31 HIS N N 31 119.367 119.890 -0.523 1
1 286 . 16 1 1 A 31 31 HIS H H 31 7.628 7.792 -0.164 1
1 287 . 16 1 1 A 31 31 HIS CA C 31 59.077 59.882 -0.805 1
1 288 . 16 1 1 A 31 31 HIS HA H 31 4.224 4.258 -0.034 1
1 289 . 16 1 1 A 31 31 HIS CB C 31 28.526 30.022 -1.496 1
1 295 . 16 1 1 A 31 31 HIS C C 31 176.140 176.741 -0.601 1
1 297 . 16 1 1 A 32 32 GLN N N 32 115.298 116.966 -1.668 1
1 298 . 16 1 1 A 32 32 GLN H H 32 8.337 8.589 -0.252 1
1 299 . 16 1 1 A 32 32 GLN CA C 32 59.342 59.176 0.166 1
1 300 . 16 1 1 A 32 32 GLN HA H 32 3.709 3.852 -0.143 1
1 301 . 16 1 1 A 32 32 GLN CB C 32 28.352 28.265 0.087 1
1 310 . 16 1 1 A 33 33 ARG N N 33 117.159 119.947 -2.788 1
1 311 . 16 1 1 A 33 33 ARG H H 33 7.099 7.677 -0.578 1
1 312 . 16 1 1 A 33 33 ARG CA C 33 58.300 59.159 -0.859 1
1 313 . 16 1 1 A 33 33 ARG HA H 33 4.144 4.229 -0.085 1
1 314 . 16 1 1 A 33 33 ARG CB C 33 30.024 29.867 0.157 1
1 320 . 16 1 1 A 33 33 ARG C C 33 178.505 178.388 0.117 1
1 324 . 16 1 1 A 34 34 ILE N N 34 116.468 117.669 -1.201 1
1 325 . 16 1 1 A 34 34 ILE H H 34 7.818 7.888 -0.070 1
1 326 . 16 1 1 A 34 34 ILE CA C 34 63.072 63.883 -0.811 1
1 327 . 16 1 1 A 34 34 ILE HA H 34 3.975 3.723 0.252 1
1 328 . 16 1 1 A 34 34 ILE CB C 34 37.673 37.233 0.440 1
1 340 . 16 1 1 A 34 34 ILE C C 34 177.406 177.441 -0.035 1
1 342 . 16 1 1 A 35 35 HIS N N 35 117.692 120.788 -3.096 1
1 343 . 16 1 1 A 35 35 HIS H H 35 7.220 7.600 -0.380 1
1 344 . 16 1 1 A 35 35 HIS CA C 35 55.298 58.775 -3.477 1
1 345 . 16 1 1 A 35 35 HIS HA H 35 4.858 4.467 0.391 1
1 346 . 16 1 1 A 35 35 HIS CB C 35 28.597 30.733 -2.136 1
1 352 . 16 1 1 A 35 35 HIS C C 35 175.834 177.685 -1.851 1
1 354 . 16 1 1 A 36 36 THR N N 36 111.637 112.735 -1.098 1
1 355 . 16 1 1 A 36 36 THR H H 36 7.791 8.441 -0.650 1
1 356 . 16 1 1 A 36 36 THR CA C 36 62.508 65.345 -2.837 1
1 357 . 16 1 1 A 36 36 THR HA H 36 4.358 4.027 0.331 1
1 358 . 16 1 1 A 36 36 THR CB C 36 69.805 68.338 1.467 1
1 364 . 16 1 1 A 36 36 THR C C 36 175.472 177.003 -1.531 1
1 365 . 16 1 1 A 37 37 GLY N N 37 110.597 111.534 -0.937 1
1 366 . 16 1 1 A 37 37 GLY H H 37 8.215 8.656 -0.441 1
1 367 . 16 1 1 A 37 37 GLY CA C 37 45.345 47.435 -2.090 1
1 368 . 16 1 1 A 37 37 GLY HA3 H 37 3.941 3.721 0.220 1
1 369 . 16 1 1 A 37 37 GLY C C 37 174.037 175.806 -1.769 1
1 370 . 16 1 1 A 37 37 GLY HA2 H 37 4.036 3.714 0.322 1
1 371 . 16 1 1 A 38 38 GLU N N 38 120.595 120.506 0.089 1
1 372 . 16 1 1 A 38 38 GLU H H 38 8.082 7.450 0.632 1
1 373 . 16 1 1 A 38 38 GLU CA C 38 56.438 56.322 0.116 1
1 374 . 16 1 1 A 38 38 GLU HA H 38 4.244 4.368 -0.124 1
1 375 . 16 1 1 A 38 38 GLU CB C 38 30.533 29.502 1.031 1
1 379 . 16 1 1 A 38 38 GLU C C 38 176.198 175.233 0.965 1
1 382 . 16 1 1 A 39 39 LYS N N 39 123.862 123.123 0.739 1
1 383 . 16 1 1 A 39 39 LYS H H 39 8.413 8.188 0.225 1
1 384 . 16 1 1 A 39 39 LYS CA C 39 54.115 54.260 -0.145 1
1 385 . 16 1 1 A 39 39 LYS HA H 39 4.602 4.924 -0.322 1
1 386 . 16 1 1 A 39 39 LYS CB C 39 32.503 35.605 -3.102 1
1 394 . 16 1 1 A 39 39 LYS C C 39 174.491 174.112 0.379 1
1 399 . 16 1 1 A 40 40 PRO CA C 40 63.230 62.491 0.739 1
1 400 . 16 1 1 A 40 40 PRO HA H 40 4.457 4.608 -0.151 1
1 401 . 16 1 1 A 40 40 PRO CB C 40 32.215 33.249 -1.034 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.404 45.996 -0.592 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.019 4.334 -0.315 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.534 172.678 1.856 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 4.019 4.332 -0.313 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.887 114.547 -1.660 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.161 8.698 -0.537 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.885 59.661 2.224 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.366 5.315 -0.949 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.813 72.355 -2.542 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.242 173.263 1.979 1
1 16 . 17 1 1 A 9 9 GLY N N 9 110.959 109.182 1.777 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.457 8.727 -0.270 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.259 44.072 1.187 1
1 19 . 17 1 1 A 9 9 GLY HA3 H 9 3.931 4.094 -0.163 1
1 20 . 17 1 1 A 9 9 GLY C C 9 174.041 174.455 -0.414 1
1 21 . 17 1 1 A 9 9 GLY HA2 H 9 3.931 4.092 -0.161 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.453 119.112 1.341 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.222 8.434 -0.212 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.686 56.012 0.674 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.229 4.619 -0.390 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.533 30.161 0.372 1
1 30 . 17 1 1 A 10 10 GLU C C 10 176.213 174.644 1.569 1
1 33 . 17 1 1 A 11 11 LYS N N 11 122.472 118.022 4.450 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.251 7.434 0.817 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 53.888 53.046 0.842 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.524 4.865 -0.341 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 32.818 34.622 -1.804 1
1 45 . 17 1 1 A 11 11 LYS C C 11 173.839 176.215 -2.376 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 62.929 64.037 -1.108 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.338 4.409 -0.071 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.388 31.495 0.893 1
1 58 . 17 1 1 A 12 12 PRO C C 12 176.346 175.782 0.564 1
1 62 . 17 1 1 A 13 13 TYR N N 13 119.836 119.129 0.707 1
1 63 . 17 1 1 A 13 13 TYR H H 13 8.099 7.683 0.416 1
1 64 . 17 1 1 A 13 13 TYR CA C 13 57.638 56.640 0.998 1
1 65 . 17 1 1 A 13 13 TYR HA H 13 4.565 5.061 -0.496 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.246 39.523 -1.277 1
1 76 . 17 1 1 A 13 13 TYR C C 13 174.063 174.154 -0.091 1
1 78 . 17 1 1 A 14 14 LYS N N 14 125.222 125.245 -0.023 1
1 79 . 17 1 1 A 14 14 LYS H H 14 8.437 9.008 -0.571 1
1 80 . 17 1 1 A 14 14 LYS CA C 14 54.846 54.571 0.275 1
1 81 . 17 1 1 A 14 14 LYS HA H 14 5.044 5.249 -0.205 1
1 82 . 17 1 1 A 14 14 LYS CB C 14 36.065 36.433 -0.368 1
1 90 . 17 1 1 A 14 14 LYS C C 14 174.999 175.141 -0.142 1
1 95 . 17 1 1 A 15 15 CYS N N 15 127.756 124.898 2.858 1
1 96 . 17 1 1 A 15 15 CYS H H 15 9.327 9.557 -0.230 1
1 97 . 17 1 1 A 15 15 CYS CA C 15 59.366 60.001 -0.635 1
1 98 . 17 1 1 A 15 15 CYS HA H 15 4.576 4.690 -0.114 1
1 99 . 17 1 1 A 15 15 CYS CB C 15 29.545 28.357 1.188 1
1 101 . 17 1 1 A 15 15 CYS C C 15 176.864 174.969 1.895 1
1 103 . 17 1 1 A 16 16 ASN N N 16 130.374 124.725 5.649 1
1 104 . 17 1 1 A 16 16 ASN H H 16 9.432 8.943 0.489 1
1 105 . 17 1 1 A 16 16 ASN CA C 16 55.639 53.811 1.828 1
1 106 . 17 1 1 A 16 16 ASN HA H 16 4.517 4.938 -0.421 1
1 107 . 17 1 1 A 16 16 ASN CB C 16 38.395 39.473 -1.078 1
1 112 . 17 1 1 A 16 16 ASN C C 16 175.480 176.556 -1.076 1
1 114 . 17 1 1 A 17 17 GLU N N 17 120.722 119.925 0.797 1
1 115 . 17 1 1 A 17 17 GLU H H 17 8.665 8.303 0.362 1
1 116 . 17 1 1 A 17 17 GLU CA C 17 58.443 59.144 -0.701 1
1 117 . 17 1 1 A 17 17 GLU HA H 17 4.213 3.968 0.245 1
1 118 . 17 1 1 A 17 17 GLU CB C 17 29.431 29.661 -0.230 1
1 122 . 17 1 1 A 17 17 GLU C C 17 177.092 177.788 -0.696 1
1 125 . 17 1 1 A 18 18 CYS N N 18 114.544 114.957 -0.413 1
1 126 . 17 1 1 A 18 18 CYS H H 18 7.925 7.854 0.071 1
1 127 . 17 1 1 A 18 18 CYS CA C 18 58.372 59.502 -1.130 1
1 128 . 17 1 1 A 18 18 CYS HA H 18 5.179 4.716 0.463 1
1 129 . 17 1 1 A 18 18 CYS CB C 18 32.404 30.219 2.185 1
1 131 . 17 1 1 A 18 18 CYS C C 18 176.255 175.561 0.694 1
1 133 . 17 1 1 A 19 19 GLY N N 19 113.579 109.927 3.652 1
1 134 . 17 1 1 A 19 19 GLY H H 19 8.223 8.082 0.141 1
1 135 . 17 1 1 A 19 19 GLY CA C 19 46.317 45.274 1.043 1
1 136 . 17 1 1 A 19 19 GLY HA3 H 19 4.247 4.096 0.151 1
1 137 . 17 1 1 A 19 19 GLY C C 19 173.572 174.631 -1.059 1
1 138 . 17 1 1 A 19 19 GLY HA2 H 19 3.732 4.078 -0.346 1
1 139 . 17 1 1 A 20 20 LYS N N 20 122.482 121.333 1.149 1
1 140 . 17 1 1 A 20 20 LYS H H 20 7.873 7.570 0.303 1
1 141 . 17 1 1 A 20 20 LYS CA C 20 58.246 57.410 0.836 1
1 142 . 17 1 1 A 20 20 LYS HA H 20 4.002 4.129 -0.127 1
1 143 . 17 1 1 A 20 20 LYS CB C 20 33.912 32.827 1.085 1
1 151 . 17 1 1 A 20 20 LYS C C 20 174.324 175.343 -1.019 1
1 156 . 17 1 1 A 21 21 VAL N N 21 116.394 123.471 -7.077 1
1 157 . 17 1 1 A 21 21 VAL H H 21 7.573 8.465 -0.892 1
1 158 . 17 1 1 A 21 21 VAL CA C 21 60.262 61.288 -1.026 1
1 159 . 17 1 1 A 21 21 VAL HA H 21 4.816 4.808 0.008 1
1 160 . 17 1 1 A 21 21 VAL CB C 21 33.936 33.371 0.565 1
1 170 . 17 1 1 A 21 21 VAL C C 21 175.317 174.678 0.639 1
1 171 . 17 1 1 A 22 22 PHE N N 22 120.431 124.318 -3.887 1
1 172 . 17 1 1 A 22 22 PHE H H 22 8.792 9.227 -0.435 1
1 173 . 17 1 1 A 22 22 PHE CA C 22 56.890 56.668 0.222 1
1 174 . 17 1 1 A 22 22 PHE HA H 22 4.824 5.034 -0.210 1
1 175 . 17 1 1 A 22 22 PHE CB C 22 44.119 43.988 0.131 1
1 187 . 17 1 1 A 22 22 PHE C C 22 175.683 175.606 0.077 1
1 189 . 17 1 1 A 23 23 ARG N N 23 119.340 122.303 -2.963 1
1 190 . 17 1 1 A 23 23 ARG H H 23 9.329 9.144 0.185 1
1 191 . 17 1 1 A 23 23 ARG CA C 23 57.346 57.604 -0.258 1
1 192 . 17 1 1 A 23 23 ARG HA H 23 4.466 4.513 -0.047 1
1 193 . 17 1 1 A 23 23 ARG CB C 23 31.371 31.534 -0.163 1
1 199 . 17 1 1 A 23 23 ARG C C 23 175.065 175.745 -0.680 1
1 203 . 17 1 1 A 24 24 HIS N N 24 113.216 117.918 -4.702 1
1 204 . 17 1 1 A 24 24 HIS H H 24 7.128 8.281 -1.153 1
1 205 . 17 1 1 A 24 24 HIS CA C 24 55.437 54.161 1.276 1
1 206 . 17 1 1 A 24 24 HIS HA H 24 4.657 4.586 0.071 1
1 207 . 17 1 1 A 24 24 HIS CB C 24 34.517 31.119 3.398 1
1 213 . 17 1 1 A 24 24 HIS C C 24 175.558 175.229 0.329 1
1 215 . 17 1 1 A 25 25 ASN CA C 25 56.177 56.229 -0.052 1
1 216 . 17 1 1 A 25 25 ASN HA H 25 3.662 3.773 -0.111 1
1 217 . 17 1 1 A 25 25 ASN CB C 25 38.311 38.259 0.052 1
1 223 . 17 1 1 A 26 26 SER CA C 26 61.298 61.075 0.223 1
1 224 . 17 1 1 A 26 26 SER HA H 26 4.085 3.945 0.140 1
1 225 . 17 1 1 A 26 26 SER CB C 26 61.728 63.020 -1.292 1
1 227 . 17 1 1 A 26 26 SER C C 26 177.140 176.370 0.770 1
1 229 . 17 1 1 A 27 27 TYR N N 27 121.463 118.860 2.603 1
1 230 . 17 1 1 A 27 27 TYR H H 27 6.951 7.321 -0.370 1
1 231 . 17 1 1 A 27 27 TYR CA C 27 58.633 60.952 -2.319 1
1 232 . 17 1 1 A 27 27 TYR HA H 27 4.342 4.293 0.049 1
1 233 . 17 1 1 A 27 27 TYR CB C 27 37.464 37.690 -0.226 1
1 243 . 17 1 1 A 27 27 TYR C C 27 178.472 178.223 0.249 1
1 245 . 17 1 1 A 28 28 LEU N N 28 122.153 122.457 -0.304 1
1 246 . 17 1 1 A 28 28 LEU H H 28 7.064 8.113 -1.049 1
1 247 . 17 1 1 A 28 28 LEU CA C 28 58.022 57.531 0.491 1
1 248 . 17 1 1 A 28 28 LEU HA H 28 3.260 3.083 0.177 1
1 249 . 17 1 1 A 28 28 LEU CB C 28 40.390 41.477 -1.087 1
1 261 . 17 1 1 A 28 28 LEU C C 28 177.619 178.132 -0.513 1
1 263 . 17 1 1 A 29 29 SER N N 29 114.652 114.753 -0.101 1
1 264 . 17 1 1 A 29 29 SER H H 29 8.415 8.399 0.016 1
1 265 . 17 1 1 A 29 29 SER CA C 29 61.724 61.559 0.165 1
1 266 . 17 1 1 A 29 29 SER HA H 29 4.222 3.983 0.239 1
1 267 . 17 1 1 A 29 29 SER CB C 29 62.466 62.902 -0.436 1
1 269 . 17 1 1 A 29 29 SER C C 29 177.182 176.450 0.732 1
1 271 . 17 1 1 A 30 30 ARG N N 30 119.728 119.259 0.469 1
1 272 . 17 1 1 A 30 30 ARG H H 30 7.390 7.980 -0.590 1
1 273 . 17 1 1 A 30 30 ARG CA C 30 59.144 58.211 0.933 1
1 274 . 17 1 1 A 30 30 ARG HA H 30 3.997 4.175 -0.178 1
1 275 . 17 1 1 A 30 30 ARG CB C 30 30.280 29.375 0.905 1
1 281 . 17 1 1 A 30 30 ARG C C 30 178.647 178.215 0.432 1
1 285 . 17 1 1 A 31 31 HIS N N 31 119.367 120.149 -0.782 1
1 286 . 17 1 1 A 31 31 HIS H H 31 7.628 7.971 -0.343 1
1 287 . 17 1 1 A 31 31 HIS CA C 31 59.077 58.787 0.290 1
1 288 . 17 1 1 A 31 31 HIS HA H 31 4.224 4.178 0.046 1
1 289 . 17 1 1 A 31 31 HIS CB C 31 28.526 30.153 -1.627 1
1 295 . 17 1 1 A 31 31 HIS C C 31 176.140 176.972 -0.832 1
1 297 . 17 1 1 A 32 32 GLN N N 32 115.298 117.370 -2.072 1
1 298 . 17 1 1 A 32 32 GLN H H 32 8.337 8.469 -0.132 1
1 299 . 17 1 1 A 32 32 GLN CA C 32 59.342 59.006 0.336 1
1 300 . 17 1 1 A 32 32 GLN HA H 32 3.709 3.659 0.050 1
1 301 . 17 1 1 A 32 32 GLN CB C 32 28.352 28.192 0.160 1
1 310 . 17 1 1 A 33 33 ARG N N 33 117.159 120.201 -3.042 1
1 311 . 17 1 1 A 33 33 ARG H H 33 7.099 7.568 -0.469 1
1 312 . 17 1 1 A 33 33 ARG CA C 33 58.300 59.144 -0.844 1
1 313 . 17 1 1 A 33 33 ARG HA H 33 4.144 4.061 0.083 1
1 314 . 17 1 1 A 33 33 ARG CB C 33 30.024 29.843 0.181 1
1 320 . 17 1 1 A 33 33 ARG C C 33 178.505 178.597 -0.092 1
1 324 . 17 1 1 A 34 34 ILE N N 34 116.468 117.527 -1.059 1
1 325 . 17 1 1 A 34 34 ILE H H 34 7.818 7.858 -0.040 1
1 326 . 17 1 1 A 34 34 ILE CA C 34 63.072 63.639 -0.567 1
1 327 . 17 1 1 A 34 34 ILE HA H 34 3.975 3.766 0.209 1
1 328 . 17 1 1 A 34 34 ILE CB C 34 37.673 37.245 0.428 1
1 340 . 17 1 1 A 34 34 ILE C C 34 177.406 177.592 -0.186 1
1 342 . 17 1 1 A 35 35 HIS N N 35 117.692 119.607 -1.915 1
1 343 . 17 1 1 A 35 35 HIS H H 35 7.220 7.515 -0.295 1
1 344 . 17 1 1 A 35 35 HIS CA C 35 55.298 58.713 -3.415 1
1 345 . 17 1 1 A 35 35 HIS HA H 35 4.858 4.443 0.415 1
1 346 . 17 1 1 A 35 35 HIS CB C 35 28.597 30.749 -2.152 1
1 352 . 17 1 1 A 35 35 HIS C C 35 175.834 175.482 0.352 1
1 354 . 17 1 1 A 36 36 THR N N 36 111.637 108.477 3.160 1
1 355 . 17 1 1 A 36 36 THR H H 36 7.791 7.427 0.364 1
1 356 . 17 1 1 A 36 36 THR CA C 36 62.508 63.120 -0.612 1
1 357 . 17 1 1 A 36 36 THR HA H 36 4.358 4.157 0.201 1
1 358 . 17 1 1 A 36 36 THR CB C 36 69.805 68.380 1.425 1
1 364 . 17 1 1 A 36 36 THR C C 36 175.472 174.694 0.778 1
1 365 . 17 1 1 A 37 37 GLY N N 37 110.597 112.864 -2.267 1
1 366 . 17 1 1 A 37 37 GLY H H 37 8.215 8.312 -0.097 1
1 367 . 17 1 1 A 37 37 GLY CA C 37 45.345 45.350 -0.005 1
1 368 . 17 1 1 A 37 37 GLY HA3 H 37 3.941 4.171 -0.230 1
1 369 . 17 1 1 A 37 37 GLY C C 37 174.037 172.952 1.085 1
1 370 . 17 1 1 A 37 37 GLY HA2 H 37 4.036 4.170 -0.134 1
1 371 . 17 1 1 A 38 38 GLU N N 38 120.595 116.002 4.593 1
1 372 . 17 1 1 A 38 38 GLU H H 38 8.082 7.964 0.118 1
1 373 . 17 1 1 A 38 38 GLU CA C 38 56.438 55.037 1.401 1
1 374 . 17 1 1 A 38 38 GLU HA H 38 4.244 4.605 -0.361 1
1 375 . 17 1 1 A 38 38 GLU CB C 38 30.533 31.979 -1.446 1
1 379 . 17 1 1 A 38 38 GLU C C 38 176.198 175.240 0.958 1
1 382 . 17 1 1 A 39 39 LYS N N 39 123.862 120.935 2.927 1
1 383 . 17 1 1 A 39 39 LYS H H 39 8.413 8.603 -0.190 1
1 384 . 17 1 1 A 39 39 LYS CA C 39 54.115 55.038 -0.923 1
1 385 . 17 1 1 A 39 39 LYS HA H 39 4.602 4.440 0.162 1
1 386 . 17 1 1 A 39 39 LYS CB C 39 32.503 31.857 0.646 1
1 394 . 17 1 1 A 39 39 LYS C C 39 174.491 174.769 -0.278 1
1 399 . 17 1 1 A 40 40 PRO CA C 40 63.230 62.846 0.384 1
1 400 . 17 1 1 A 40 40 PRO HA H 40 4.457 4.669 -0.212 1
1 401 . 17 1 1 A 40 40 PRO CB C 40 32.215 31.851 0.364 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.404 46.125 -0.721 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.019 4.201 -0.182 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.534 172.841 1.693 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 4.019 4.201 -0.182 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.887 114.813 -1.926 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.161 8.180 -0.019 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.885 59.695 2.190 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.366 4.751 -0.385 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.813 71.464 -1.651 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.242 174.285 0.957 1
1 16 . 18 1 1 A 9 9 GLY N N 9 110.959 113.973 -3.014 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.457 8.593 -0.136 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.259 44.914 0.345 1
1 19 . 18 1 1 A 9 9 GLY HA3 H 9 3.931 4.067 -0.136 1
1 20 . 18 1 1 A 9 9 GLY C C 9 174.041 172.073 1.968 1
1 21 . 18 1 1 A 9 9 GLY HA2 H 9 3.931 4.066 -0.135 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.453 121.305 -0.852 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.222 8.450 -0.228 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.686 55.614 1.072 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.229 4.816 -0.587 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.533 33.322 -2.789 1
1 30 . 18 1 1 A 10 10 GLU C C 10 176.213 174.803 1.410 1
1 33 . 18 1 1 A 11 11 LYS N N 11 122.472 126.206 -3.734 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.251 8.534 -0.283 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 53.888 54.660 -0.772 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.524 4.403 0.121 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 32.818 31.815 1.003 1
1 45 . 18 1 1 A 11 11 LYS C C 11 173.839 176.612 -2.773 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 62.929 64.014 -1.085 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.338 4.338 0.000 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.388 31.314 1.074 1
1 58 . 18 1 1 A 12 12 PRO C C 12 176.346 175.705 0.641 1
1 62 . 18 1 1 A 13 13 TYR N N 13 119.836 118.914 0.922 1
1 63 . 18 1 1 A 13 13 TYR H H 13 8.099 7.494 0.605 1
1 64 . 18 1 1 A 13 13 TYR CA C 13 57.638 56.483 1.155 1
1 65 . 18 1 1 A 13 13 TYR HA H 13 4.565 5.248 -0.683 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.246 39.991 -1.745 1
1 76 . 18 1 1 A 13 13 TYR C C 13 174.063 174.157 -0.094 1
1 78 . 18 1 1 A 14 14 LYS N N 14 125.222 125.244 -0.022 1
1 79 . 18 1 1 A 14 14 LYS H H 14 8.437 9.007 -0.570 1
1 80 . 18 1 1 A 14 14 LYS CA C 14 54.846 54.642 0.204 1
1 81 . 18 1 1 A 14 14 LYS HA H 14 5.044 5.227 -0.183 1
1 82 . 18 1 1 A 14 14 LYS CB C 14 36.065 36.175 -0.110 1
1 90 . 18 1 1 A 14 14 LYS C C 14 174.999 175.144 -0.145 1
1 95 . 18 1 1 A 15 15 CYS N N 15 127.756 125.215 2.541 1
1 96 . 18 1 1 A 15 15 CYS H H 15 9.327 9.605 -0.278 1
1 97 . 18 1 1 A 15 15 CYS CA C 15 59.366 59.950 -0.584 1
1 98 . 18 1 1 A 15 15 CYS HA H 15 4.576 4.650 -0.074 1
1 99 . 18 1 1 A 15 15 CYS CB C 15 29.545 28.443 1.102 1
1 101 . 18 1 1 A 15 15 CYS C C 15 176.864 174.809 2.055 1
1 103 . 18 1 1 A 16 16 ASN N N 16 130.374 124.802 5.572 1
1 104 . 18 1 1 A 16 16 ASN H H 16 9.432 8.896 0.536 1
1 105 . 18 1 1 A 16 16 ASN CA C 16 55.639 54.062 1.577 1
1 106 . 18 1 1 A 16 16 ASN HA H 16 4.517 4.867 -0.350 1
1 107 . 18 1 1 A 16 16 ASN CB C 16 38.395 39.331 -0.936 1
1 112 . 18 1 1 A 16 16 ASN C C 16 175.480 177.066 -1.586 1
1 114 . 18 1 1 A 17 17 GLU N N 17 120.722 120.648 0.074 1
1 115 . 18 1 1 A 17 17 GLU H H 17 8.665 8.214 0.451 1
1 116 . 18 1 1 A 17 17 GLU CA C 17 58.443 58.751 -0.308 1
1 117 . 18 1 1 A 17 17 GLU HA H 17 4.213 3.930 0.283 1
1 118 . 18 1 1 A 17 17 GLU CB C 17 29.431 28.422 1.009 1
1 122 . 18 1 1 A 17 17 GLU C C 17 177.092 177.831 -0.739 1
1 125 . 18 1 1 A 18 18 CYS N N 18 114.544 114.696 -0.152 1
1 126 . 18 1 1 A 18 18 CYS H H 18 7.925 7.844 0.081 1
1 127 . 18 1 1 A 18 18 CYS CA C 18 58.372 59.575 -1.203 1
1 128 . 18 1 1 A 18 18 CYS HA H 18 5.179 4.578 0.601 1
1 129 . 18 1 1 A 18 18 CYS CB C 18 32.404 29.706 2.698 1
1 131 . 18 1 1 A 18 18 CYS C C 18 176.255 175.458 0.797 1
1 133 . 18 1 1 A 19 19 GLY N N 19 113.579 110.442 3.137 1
1 134 . 18 1 1 A 19 19 GLY H H 19 8.223 8.289 -0.066 1
1 135 . 18 1 1 A 19 19 GLY CA C 19 46.317 45.482 0.835 1
1 136 . 18 1 1 A 19 19 GLY HA3 H 19 4.247 3.995 0.252 1
1 137 . 18 1 1 A 19 19 GLY C C 19 173.572 174.345 -0.773 1
1 138 . 18 1 1 A 19 19 GLY HA2 H 19 3.732 3.981 -0.249 1
1 139 . 18 1 1 A 20 20 LYS N N 20 122.482 119.627 2.855 1
1 140 . 18 1 1 A 20 20 LYS H H 20 7.873 7.428 0.445 1
1 141 . 18 1 1 A 20 20 LYS CA C 20 58.246 55.591 2.655 1
1 142 . 18 1 1 A 20 20 LYS HA H 20 4.002 4.489 -0.487 1
1 143 . 18 1 1 A 20 20 LYS CB C 20 33.912 34.100 -0.188 1
1 151 . 18 1 1 A 20 20 LYS C C 20 174.324 175.483 -1.159 1
1 156 . 18 1 1 A 21 21 VAL N N 21 116.394 119.601 -3.207 1
1 157 . 18 1 1 A 21 21 VAL H H 21 7.573 8.091 -0.518 1
1 158 . 18 1 1 A 21 21 VAL CA C 21 60.262 60.169 0.093 1
1 159 . 18 1 1 A 21 21 VAL HA H 21 4.816 4.947 -0.131 1
1 160 . 18 1 1 A 21 21 VAL CB C 21 33.936 35.818 -1.882 1
1 170 . 18 1 1 A 21 21 VAL C C 21 175.317 174.277 1.040 1
1 171 . 18 1 1 A 22 22 PHE N N 22 120.431 123.991 -3.560 1
1 172 . 18 1 1 A 22 22 PHE H H 22 8.792 8.685 0.107 1
1 173 . 18 1 1 A 22 22 PHE CA C 22 56.890 56.806 0.084 1
1 174 . 18 1 1 A 22 22 PHE HA H 22 4.824 5.102 -0.278 1
1 175 . 18 1 1 A 22 22 PHE CB C 22 44.119 44.041 0.078 1
1 187 . 18 1 1 A 22 22 PHE C C 22 175.683 175.664 0.019 1
1 189 . 18 1 1 A 23 23 ARG N N 23 119.340 121.815 -2.475 1
1 190 . 18 1 1 A 23 23 ARG H H 23 9.329 9.143 0.186 1
1 191 . 18 1 1 A 23 23 ARG CA C 23 57.346 57.617 -0.271 1
1 192 . 18 1 1 A 23 23 ARG HA H 23 4.466 4.464 0.002 1
1 193 . 18 1 1 A 23 23 ARG CB C 23 31.371 31.472 -0.101 1
1 199 . 18 1 1 A 23 23 ARG C C 23 175.065 175.599 -0.534 1
1 203 . 18 1 1 A 24 24 HIS N N 24 113.216 117.824 -4.608 1
1 204 . 18 1 1 A 24 24 HIS H H 24 7.128 8.307 -1.179 1
1 205 . 18 1 1 A 24 24 HIS CA C 24 55.437 55.184 0.253 1
1 206 . 18 1 1 A 24 24 HIS HA H 24 4.657 4.811 -0.154 1
1 207 . 18 1 1 A 24 24 HIS CB C 24 34.517 31.717 2.800 1
1 213 . 18 1 1 A 24 24 HIS C C 24 175.558 175.081 0.477 1
1 215 . 18 1 1 A 25 25 ASN CA C 25 56.177 55.906 0.271 1
1 216 . 18 1 1 A 25 25 ASN HA H 25 3.662 3.803 -0.141 1
1 217 . 18 1 1 A 25 25 ASN CB C 25 38.311 38.291 0.020 1
1 223 . 18 1 1 A 26 26 SER CA C 26 61.298 61.657 -0.359 1
1 224 . 18 1 1 A 26 26 SER HA H 26 4.085 4.144 -0.059 1
1 225 . 18 1 1 A 26 26 SER CB C 26 61.728 62.690 -0.962 1
1 227 . 18 1 1 A 26 26 SER C C 26 177.140 176.356 0.784 1
1 229 . 18 1 1 A 27 27 TYR N N 27 121.463 119.265 2.198 1
1 230 . 18 1 1 A 27 27 TYR H H 27 6.951 7.758 -0.807 1
1 231 . 18 1 1 A 27 27 TYR CA C 27 58.633 61.417 -2.784 1
1 232 . 18 1 1 A 27 27 TYR HA H 27 4.342 4.294 0.048 1
1 233 . 18 1 1 A 27 27 TYR CB C 27 37.464 38.757 -1.293 1
1 243 . 18 1 1 A 27 27 TYR C C 27 178.472 177.849 0.623 1
1 245 . 18 1 1 A 28 28 LEU N N 28 122.153 121.568 0.585 1
1 246 . 18 1 1 A 28 28 LEU H H 28 7.064 7.646 -0.582 1
1 247 . 18 1 1 A 28 28 LEU CA C 28 58.022 57.501 0.521 1
1 248 . 18 1 1 A 28 28 LEU HA H 28 3.260 3.011 0.249 1
1 249 . 18 1 1 A 28 28 LEU CB C 28 40.390 41.428 -1.038 1
1 261 . 18 1 1 A 28 28 LEU C C 28 177.619 178.562 -0.943 1
1 263 . 18 1 1 A 29 29 SER N N 29 114.652 116.047 -1.395 1
1 264 . 18 1 1 A 29 29 SER H H 29 8.415 7.769 0.646 1
1 265 . 18 1 1 A 29 29 SER CA C 29 61.724 61.965 -0.241 1
1 266 . 18 1 1 A 29 29 SER HA H 29 4.222 4.011 0.211 1
1 267 . 18 1 1 A 29 29 SER CB C 29 62.466 62.735 -0.269 1
1 269 . 18 1 1 A 29 29 SER C C 29 177.182 176.775 0.407 1
1 271 . 18 1 1 A 30 30 ARG N N 30 119.728 121.689 -1.961 1
1 272 . 18 1 1 A 30 30 ARG H H 30 7.390 7.630 -0.240 1
1 273 . 18 1 1 A 30 30 ARG CA C 30 59.144 59.629 -0.485 1
1 274 . 18 1 1 A 30 30 ARG HA H 30 3.997 4.122 -0.125 1
1 275 . 18 1 1 A 30 30 ARG CB C 30 30.280 29.675 0.605 1
1 281 . 18 1 1 A 30 30 ARG C C 30 178.647 178.715 -0.068 1
1 285 . 18 1 1 A 31 31 HIS N N 31 119.367 120.039 -0.672 1
1 286 . 18 1 1 A 31 31 HIS H H 31 7.628 7.727 -0.099 1
1 287 . 18 1 1 A 31 31 HIS CA C 31 59.077 59.515 -0.438 1
1 288 . 18 1 1 A 31 31 HIS HA H 31 4.224 4.183 0.041 1
1 289 . 18 1 1 A 31 31 HIS CB C 31 28.526 29.785 -1.259 1
1 295 . 18 1 1 A 31 31 HIS C C 31 176.140 176.914 -0.774 1
1 297 . 18 1 1 A 32 32 GLN N N 32 115.298 117.184 -1.886 1
1 298 . 18 1 1 A 32 32 GLN H H 32 8.337 8.385 -0.048 1
1 299 . 18 1 1 A 32 32 GLN CA C 32 59.342 59.161 0.181 1
1 300 . 18 1 1 A 32 32 GLN HA H 32 3.709 3.717 -0.008 1
1 301 . 18 1 1 A 32 32 GLN CB C 32 28.352 28.259 0.093 1
1 310 . 18 1 1 A 33 33 ARG N N 33 117.159 119.973 -2.814 1
1 311 . 18 1 1 A 33 33 ARG H H 33 7.099 7.625 -0.526 1
1 312 . 18 1 1 A 33 33 ARG CA C 33 58.300 58.959 -0.659 1
1 313 . 18 1 1 A 33 33 ARG HA H 33 4.144 3.927 0.217 1
1 314 . 18 1 1 A 33 33 ARG CB C 33 30.024 29.829 0.195 1
1 320 . 18 1 1 A 33 33 ARG C C 33 178.505 178.751 -0.246 1
1 324 . 18 1 1 A 34 34 ILE N N 34 116.468 117.015 -0.547 1
1 325 . 18 1 1 A 34 34 ILE H H 34 7.818 7.861 -0.043 1
1 326 . 18 1 1 A 34 34 ILE CA C 34 63.072 63.614 -0.542 1
1 327 . 18 1 1 A 34 34 ILE HA H 34 3.975 3.786 0.189 1
1 328 . 18 1 1 A 34 34 ILE CB C 34 37.673 37.279 0.394 1
1 340 . 18 1 1 A 34 34 ILE C C 34 177.406 176.561 0.845 1
1 342 . 18 1 1 A 35 35 HIS N N 35 117.692 119.538 -1.846 1
1 343 . 18 1 1 A 35 35 HIS H H 35 7.220 7.716 -0.496 1
1 344 . 18 1 1 A 35 35 HIS CA C 35 55.298 55.669 -0.371 1
1 345 . 18 1 1 A 35 35 HIS HA H 35 4.858 4.673 0.185 1
1 346 . 18 1 1 A 35 35 HIS CB C 35 28.597 29.272 -0.675 1
1 352 . 18 1 1 A 35 35 HIS C C 35 175.834 174.351 1.483 1
1 354 . 18 1 1 A 36 36 THR N N 36 111.637 113.494 -1.857 1
1 355 . 18 1 1 A 36 36 THR H H 36 7.791 7.657 0.134 1
1 356 . 18 1 1 A 36 36 THR CA C 36 62.508 60.188 2.320 1
1 357 . 18 1 1 A 36 36 THR HA H 36 4.358 4.362 -0.004 1
1 358 . 18 1 1 A 36 36 THR CB C 36 69.805 70.073 -0.268 1
1 364 . 18 1 1 A 36 36 THR C C 36 175.472 173.223 2.249 1
1 365 . 18 1 1 A 37 37 GLY N N 37 110.597 112.425 -1.828 1
1 366 . 18 1 1 A 37 37 GLY H H 37 8.215 8.576 -0.361 1
1 367 . 18 1 1 A 37 37 GLY CA C 37 45.345 46.227 -0.882 1
1 368 . 18 1 1 A 37 37 GLY HA3 H 37 3.941 3.970 -0.029 1
1 369 . 18 1 1 A 37 37 GLY C C 37 174.037 174.418 -0.381 1
1 370 . 18 1 1 A 37 37 GLY HA2 H 37 4.036 3.970 0.066 1
1 371 . 18 1 1 A 38 38 GLU N N 38 120.595 122.964 -2.369 1
1 372 . 18 1 1 A 38 38 GLU H H 38 8.082 8.600 -0.518 1
1 373 . 18 1 1 A 38 38 GLU CA C 38 56.438 55.924 0.514 1
1 374 . 18 1 1 A 38 38 GLU HA H 38 4.244 4.856 -0.612 1
1 375 . 18 1 1 A 38 38 GLU CB C 38 30.533 32.928 -2.395 1
1 379 . 18 1 1 A 38 38 GLU C C 38 176.198 174.502 1.696 1
1 382 . 18 1 1 A 39 39 LYS N N 39 123.862 125.040 -1.178 1
1 383 . 18 1 1 A 39 39 LYS H H 39 8.413 8.820 -0.407 1
1 384 . 18 1 1 A 39 39 LYS CA C 39 54.115 53.402 0.713 1
1 385 . 18 1 1 A 39 39 LYS HA H 39 4.602 5.024 -0.422 1
1 386 . 18 1 1 A 39 39 LYS CB C 39 32.503 35.311 -2.808 1
1 394 . 18 1 1 A 39 39 LYS C C 39 174.491 174.143 0.348 1
1 399 . 18 1 1 A 40 40 PRO CA C 40 63.230 62.300 0.930 1
1 400 . 18 1 1 A 40 40 PRO HA H 40 4.457 4.733 -0.276 1
1 401 . 18 1 1 A 40 40 PRO CB C 40 32.215 29.652 2.563 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.404 44.819 0.585 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.019 4.009 0.010 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.534 172.547 1.987 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 4.019 4.008 0.011 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.887 117.408 -4.521 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.161 8.297 -0.136 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.885 60.890 0.995 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.366 4.699 -0.333 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.813 71.159 -1.346 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.242 173.921 1.321 1
1 16 . 19 1 1 A 9 9 GLY N N 9 110.959 115.883 -4.924 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.457 8.514 -0.057 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.259 46.274 -1.015 1
1 19 . 19 1 1 A 9 9 GLY HA3 H 9 3.931 4.053 -0.122 1
1 20 . 19 1 1 A 9 9 GLY C C 9 174.041 174.674 -0.633 1
1 21 . 19 1 1 A 9 9 GLY HA2 H 9 3.931 4.048 -0.117 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.453 121.456 -1.003 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.222 8.219 0.003 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.686 56.263 0.423 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.229 4.453 -0.224 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.533 30.400 0.133 1
1 30 . 19 1 1 A 10 10 GLU C C 10 176.213 175.635 0.578 1
1 33 . 19 1 1 A 11 11 LYS N N 11 122.472 120.484 1.988 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.251 7.414 0.837 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 53.888 53.190 0.698 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.524 4.886 -0.362 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 32.818 35.172 -2.354 1
1 45 . 19 1 1 A 11 11 LYS C C 11 173.839 176.283 -2.444 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 62.929 64.092 -1.163 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.338 4.390 -0.052 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.388 31.485 0.903 1
1 58 . 19 1 1 A 12 12 PRO C C 12 176.346 175.807 0.539 1
1 62 . 19 1 1 A 13 13 TYR N N 13 119.836 118.860 0.976 1
1 63 . 19 1 1 A 13 13 TYR H H 13 8.099 7.613 0.486 1
1 64 . 19 1 1 A 13 13 TYR CA C 13 57.638 56.653 0.985 1
1 65 . 19 1 1 A 13 13 TYR HA H 13 4.565 5.114 -0.549 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.246 39.534 -1.288 1
1 76 . 19 1 1 A 13 13 TYR C C 13 174.063 174.207 -0.144 1
1 78 . 19 1 1 A 14 14 LYS N N 14 125.222 125.121 0.101 1
1 79 . 19 1 1 A 14 14 LYS H H 14 8.437 8.886 -0.449 1
1 80 . 19 1 1 A 14 14 LYS CA C 14 54.846 54.719 0.127 1
1 81 . 19 1 1 A 14 14 LYS HA H 14 5.044 5.218 -0.174 1
1 82 . 19 1 1 A 14 14 LYS CB C 14 36.065 36.528 -0.463 1
1 90 . 19 1 1 A 14 14 LYS C C 14 174.999 175.050 -0.051 1
1 95 . 19 1 1 A 15 15 CYS N N 15 127.756 124.846 2.910 1
1 96 . 19 1 1 A 15 15 CYS H H 15 9.327 9.666 -0.339 1
1 97 . 19 1 1 A 15 15 CYS CA C 15 59.366 59.951 -0.585 1
1 98 . 19 1 1 A 15 15 CYS HA H 15 4.576 4.593 -0.017 1
1 99 . 19 1 1 A 15 15 CYS CB C 15 29.545 28.563 0.982 1
1 101 . 19 1 1 A 15 15 CYS C C 15 176.864 175.067 1.797 1
1 103 . 19 1 1 A 16 16 ASN N N 16 130.374 125.270 5.104 1
1 104 . 19 1 1 A 16 16 ASN H H 16 9.432 9.211 0.221 1
1 105 . 19 1 1 A 16 16 ASN CA C 16 55.639 54.407 1.232 1
1 106 . 19 1 1 A 16 16 ASN HA H 16 4.517 4.718 -0.201 1
1 107 . 19 1 1 A 16 16 ASN CB C 16 38.395 39.305 -0.910 1
1 112 . 19 1 1 A 16 16 ASN C C 16 175.480 177.438 -1.958 1
1 114 . 19 1 1 A 17 17 GLU N N 17 120.722 118.790 1.932 1
1 115 . 19 1 1 A 17 17 GLU H H 17 8.665 8.320 0.345 1
1 116 . 19 1 1 A 17 17 GLU CA C 17 58.443 58.853 -0.410 1
1 117 . 19 1 1 A 17 17 GLU HA H 17 4.213 3.904 0.309 1
1 118 . 19 1 1 A 17 17 GLU CB C 17 29.431 28.878 0.553 1
1 122 . 19 1 1 A 17 17 GLU C C 17 177.092 177.979 -0.887 1
1 125 . 19 1 1 A 18 18 CYS N N 18 114.544 114.829 -0.285 1
1 126 . 19 1 1 A 18 18 CYS H H 18 7.925 7.928 -0.003 1
1 127 . 19 1 1 A 18 18 CYS CA C 18 58.372 59.524 -1.152 1
1 128 . 19 1 1 A 18 18 CYS HA H 18 5.179 4.646 0.533 1
1 129 . 19 1 1 A 18 18 CYS CB C 18 32.404 30.021 2.383 1
1 131 . 19 1 1 A 18 18 CYS C C 18 176.255 175.498 0.757 1
1 133 . 19 1 1 A 19 19 GLY N N 19 113.579 110.016 3.563 1
1 134 . 19 1 1 A 19 19 GLY H H 19 8.223 8.020 0.203 1
1 135 . 19 1 1 A 19 19 GLY CA C 19 46.317 45.259 1.058 1
1 136 . 19 1 1 A 19 19 GLY HA3 H 19 4.247 4.073 0.174 1
1 137 . 19 1 1 A 19 19 GLY C C 19 173.572 174.667 -1.095 1
1 138 . 19 1 1 A 19 19 GLY HA2 H 19 3.732 4.057 -0.325 1
1 139 . 19 1 1 A 20 20 LYS N N 20 122.482 121.239 1.243 1
1 140 . 19 1 1 A 20 20 LYS H H 20 7.873 7.581 0.292 1
1 141 . 19 1 1 A 20 20 LYS CA C 20 58.246 57.126 1.120 1
1 142 . 19 1 1 A 20 20 LYS HA H 20 4.002 4.196 -0.194 1
1 143 . 19 1 1 A 20 20 LYS CB C 20 33.912 33.286 0.626 1
1 151 . 19 1 1 A 20 20 LYS C C 20 174.324 175.288 -0.964 1
1 156 . 19 1 1 A 21 21 VAL N N 21 116.394 121.907 -5.513 1
1 157 . 19 1 1 A 21 21 VAL H H 21 7.573 8.194 -0.621 1
1 158 . 19 1 1 A 21 21 VAL CA C 21 60.262 61.120 -0.858 1
1 159 . 19 1 1 A 21 21 VAL HA H 21 4.816 5.030 -0.214 1
1 160 . 19 1 1 A 21 21 VAL CB C 21 33.936 35.021 -1.085 1
1 170 . 19 1 1 A 21 21 VAL C C 21 175.317 174.680 0.637 1
1 171 . 19 1 1 A 22 22 PHE N N 22 120.431 125.288 -4.857 1
1 172 . 19 1 1 A 22 22 PHE H H 22 8.792 9.384 -0.592 1
1 173 . 19 1 1 A 22 22 PHE CA C 22 56.890 56.757 0.133 1
1 174 . 19 1 1 A 22 22 PHE HA H 22 4.824 5.048 -0.224 1
1 175 . 19 1 1 A 22 22 PHE CB C 22 44.119 43.945 0.174 1
1 187 . 19 1 1 A 22 22 PHE C C 22 175.683 175.881 -0.198 1
1 189 . 19 1 1 A 23 23 ARG N N 23 119.340 120.508 -1.168 1
1 190 . 19 1 1 A 23 23 ARG H H 23 9.329 9.239 0.090 1
1 191 . 19 1 1 A 23 23 ARG CA C 23 57.346 57.894 -0.548 1
1 192 . 19 1 1 A 23 23 ARG HA H 23 4.466 4.591 -0.125 1
1 193 . 19 1 1 A 23 23 ARG CB C 23 31.371 31.313 0.058 1
1 199 . 19 1 1 A 23 23 ARG C C 23 175.065 176.139 -1.074 1
1 203 . 19 1 1 A 24 24 HIS N N 24 113.216 117.326 -4.110 1
1 204 . 19 1 1 A 24 24 HIS H H 24 7.128 8.313 -1.185 1
1 205 . 19 1 1 A 24 24 HIS CA C 24 55.437 54.791 0.646 1
1 206 . 19 1 1 A 24 24 HIS HA H 24 4.657 4.333 0.324 1
1 207 . 19 1 1 A 24 24 HIS CB C 24 34.517 31.183 3.334 1
1 213 . 19 1 1 A 24 24 HIS C C 24 175.558 174.572 0.986 1
1 215 . 19 1 1 A 25 25 ASN CA C 25 56.177 55.967 0.210 1
1 216 . 19 1 1 A 25 25 ASN HA H 25 3.662 3.988 -0.326 1
1 217 . 19 1 1 A 25 25 ASN CB C 25 38.311 38.517 -0.206 1
1 223 . 19 1 1 A 26 26 SER CA C 26 61.298 61.478 -0.180 1
1 224 . 19 1 1 A 26 26 SER HA H 26 4.085 3.926 0.159 1
1 225 . 19 1 1 A 26 26 SER CB C 26 61.728 62.976 -1.248 1
1 227 . 19 1 1 A 26 26 SER C C 26 177.140 176.596 0.544 1
1 229 . 19 1 1 A 27 27 TYR N N 27 121.463 119.455 2.008 1
1 230 . 19 1 1 A 27 27 TYR H H 27 6.951 7.583 -0.632 1
1 231 . 19 1 1 A 27 27 TYR CA C 27 58.633 61.093 -2.460 1
1 232 . 19 1 1 A 27 27 TYR HA H 27 4.342 4.366 -0.024 1
1 233 . 19 1 1 A 27 27 TYR CB C 27 37.464 37.861 -0.397 1
1 243 . 19 1 1 A 27 27 TYR C C 27 178.472 178.056 0.416 1
1 245 . 19 1 1 A 28 28 LEU N N 28 122.153 121.643 0.510 1
1 246 . 19 1 1 A 28 28 LEU H H 28 7.064 7.949 -0.885 1
1 247 . 19 1 1 A 28 28 LEU CA C 28 58.022 57.868 0.154 1
1 248 . 19 1 1 A 28 28 LEU HA H 28 3.260 3.051 0.209 1
1 249 . 19 1 1 A 28 28 LEU CB C 28 40.390 41.255 -0.865 1
1 261 . 19 1 1 A 28 28 LEU C C 28 177.619 178.320 -0.701 1
1 263 . 19 1 1 A 29 29 SER N N 29 114.652 114.387 0.265 1
1 264 . 19 1 1 A 29 29 SER H H 29 8.415 8.290 0.125 1
1 265 . 19 1 1 A 29 29 SER CA C 29 61.724 61.589 0.135 1
1 266 . 19 1 1 A 29 29 SER HA H 29 4.222 3.961 0.261 1
1 267 . 19 1 1 A 29 29 SER CB C 29 62.466 62.850 -0.384 1
1 269 . 19 1 1 A 29 29 SER C C 29 177.182 177.072 0.110 1
1 271 . 19 1 1 A 30 30 ARG N N 30 119.728 121.127 -1.399 1
1 272 . 19 1 1 A 30 30 ARG H H 30 7.390 7.637 -0.247 1
1 273 . 19 1 1 A 30 30 ARG CA C 30 59.144 59.511 -0.367 1
1 274 . 19 1 1 A 30 30 ARG HA H 30 3.997 4.080 -0.083 1
1 275 . 19 1 1 A 30 30 ARG CB C 30 30.280 29.688 0.592 1
1 281 . 19 1 1 A 30 30 ARG C C 30 178.647 178.712 -0.065 1
1 285 . 19 1 1 A 31 31 HIS N N 31 119.367 119.926 -0.559 1
1 286 . 19 1 1 A 31 31 HIS H H 31 7.628 7.880 -0.252 1
1 287 . 19 1 1 A 31 31 HIS CA C 31 59.077 59.772 -0.695 1
1 288 . 19 1 1 A 31 31 HIS HA H 31 4.224 4.278 -0.054 1
1 289 . 19 1 1 A 31 31 HIS CB C 31 28.526 30.015 -1.489 1
1 295 . 19 1 1 A 31 31 HIS C C 31 176.140 176.724 -0.584 1
1 297 . 19 1 1 A 32 32 GLN N N 32 115.298 116.822 -1.524 1
1 298 . 19 1 1 A 32 32 GLN H H 32 8.337 8.315 0.022 1
1 299 . 19 1 1 A 32 32 GLN CA C 32 59.342 58.982 0.360 1
1 300 . 19 1 1 A 32 32 GLN HA H 32 3.709 3.613 0.096 1
1 301 . 19 1 1 A 32 32 GLN CB C 32 28.352 28.221 0.131 1
1 310 . 19 1 1 A 33 33 ARG N N 33 117.159 120.019 -2.860 1
1 311 . 19 1 1 A 33 33 ARG H H 33 7.099 7.641 -0.542 1
1 312 . 19 1 1 A 33 33 ARG CA C 33 58.300 58.972 -0.672 1
1 313 . 19 1 1 A 33 33 ARG HA H 33 4.144 3.924 0.220 1
1 314 . 19 1 1 A 33 33 ARG CB C 33 30.024 29.926 0.098 1
1 320 . 19 1 1 A 33 33 ARG C C 33 178.505 178.604 -0.099 1
1 324 . 19 1 1 A 34 34 ILE N N 34 116.468 117.154 -0.686 1
1 325 . 19 1 1 A 34 34 ILE H H 34 7.818 7.841 -0.023 1
1 326 . 19 1 1 A 34 34 ILE CA C 34 63.072 63.635 -0.563 1
1 327 . 19 1 1 A 34 34 ILE HA H 34 3.975 3.816 0.159 1
1 328 . 19 1 1 A 34 34 ILE CB C 34 37.673 37.342 0.331 1
1 340 . 19 1 1 A 34 34 ILE C C 34 177.406 176.865 0.541 1
1 342 . 19 1 1 A 35 35 HIS N N 35 117.692 119.276 -1.584 1
1 343 . 19 1 1 A 35 35 HIS H H 35 7.220 7.738 -0.518 1
1 344 . 19 1 1 A 35 35 HIS CA C 35 55.298 55.041 0.257 1
1 345 . 19 1 1 A 35 35 HIS HA H 35 4.858 4.668 0.190 1
1 346 . 19 1 1 A 35 35 HIS CB C 35 28.597 28.221 0.376 1
1 352 . 19 1 1 A 35 35 HIS C C 35 175.834 173.906 1.928 1
1 354 . 19 1 1 A 36 36 THR N N 36 111.637 110.273 1.364 1
1 355 . 19 1 1 A 36 36 THR H H 36 7.791 7.317 0.474 1
1 356 . 19 1 1 A 36 36 THR CA C 36 62.508 59.855 2.653 1
1 357 . 19 1 1 A 36 36 THR HA H 36 4.358 5.204 -0.846 1
1 358 . 19 1 1 A 36 36 THR CB C 36 69.805 71.120 -1.315 1
1 364 . 19 1 1 A 36 36 THR C C 36 175.472 173.470 2.002 1
1 365 . 19 1 1 A 37 37 GLY N N 37 110.597 108.669 1.928 1
1 366 . 19 1 1 A 37 37 GLY H H 37 8.215 8.331 -0.116 1
1 367 . 19 1 1 A 37 37 GLY CA C 37 45.345 45.845 -0.500 1
1 368 . 19 1 1 A 37 37 GLY HA3 H 37 3.941 4.205 -0.264 1
1 369 . 19 1 1 A 37 37 GLY C C 37 174.037 172.676 1.361 1
1 370 . 19 1 1 A 37 37 GLY HA2 H 37 4.036 4.201 -0.165 1
1 371 . 19 1 1 A 38 38 GLU N N 38 120.595 124.012 -3.417 1
1 372 . 19 1 1 A 38 38 GLU H H 38 8.082 8.312 -0.230 1
1 373 . 19 1 1 A 38 38 GLU CA C 38 56.438 56.600 -0.162 1
1 374 . 19 1 1 A 38 38 GLU HA H 38 4.244 4.345 -0.101 1
1 375 . 19 1 1 A 38 38 GLU CB C 38 30.533 30.736 -0.203 1
1 379 . 19 1 1 A 38 38 GLU C C 38 176.198 176.478 -0.280 1
1 382 . 19 1 1 A 39 39 LYS N N 39 123.862 123.521 0.341 1
1 383 . 19 1 1 A 39 39 LYS H H 39 8.413 8.444 -0.031 1
1 384 . 19 1 1 A 39 39 LYS CA C 39 54.115 55.125 -1.010 1
1 385 . 19 1 1 A 39 39 LYS HA H 39 4.602 4.316 0.286 1
1 386 . 19 1 1 A 39 39 LYS CB C 39 32.503 31.811 0.692 1
1 394 . 19 1 1 A 39 39 LYS C C 39 174.491 174.638 -0.147 1
1 399 . 19 1 1 A 40 40 PRO CA C 40 63.230 62.774 0.456 1
1 400 . 19 1 1 A 40 40 PRO HA H 40 4.457 4.742 -0.285 1
1 401 . 19 1 1 A 40 40 PRO CB C 40 32.215 32.993 -0.778 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.404 44.934 0.470 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.019 4.131 -0.112 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.534 173.027 1.507 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 4.019 4.130 -0.111 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.887 115.610 -2.723 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.161 8.668 -0.507 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.885 64.887 -3.002 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.366 3.922 0.444 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.813 68.488 1.325 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.242 174.994 0.248 1
1 16 . 20 1 1 A 9 9 GLY N N 9 110.959 113.666 -2.707 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.457 8.581 -0.124 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.259 45.374 -0.115 1
1 19 . 20 1 1 A 9 9 GLY HA3 H 9 3.931 4.182 -0.251 1
1 20 . 20 1 1 A 9 9 GLY C C 9 174.041 174.082 -0.041 1
1 21 . 20 1 1 A 9 9 GLY HA2 H 9 3.931 4.178 -0.247 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.453 117.080 3.373 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.222 8.079 0.143 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.686 55.493 1.193 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.229 4.948 -0.719 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.533 31.679 -1.146 1
1 30 . 20 1 1 A 10 10 GLU C C 10 176.213 175.566 0.647 1
1 33 . 20 1 1 A 11 11 LYS N N 11 122.472 122.266 0.206 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.251 8.718 -0.467 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 53.888 53.416 0.472 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.524 4.750 -0.226 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 32.818 33.050 -0.232 1
1 45 . 20 1 1 A 11 11 LYS C C 11 173.839 176.555 -2.716 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 62.929 63.937 -1.008 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.338 4.379 -0.041 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.388 31.407 0.981 1
1 58 . 20 1 1 A 12 12 PRO C C 12 176.346 175.628 0.718 1
1 62 . 20 1 1 A 13 13 TYR N N 13 119.836 118.992 0.844 1
1 63 . 20 1 1 A 13 13 TYR H H 13 8.099 7.545 0.554 1
1 64 . 20 1 1 A 13 13 TYR CA C 13 57.638 56.510 1.128 1
1 65 . 20 1 1 A 13 13 TYR HA H 13 4.565 5.272 -0.707 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.246 40.031 -1.785 1
1 76 . 20 1 1 A 13 13 TYR C C 13 174.063 174.206 -0.143 1
1 78 . 20 1 1 A 14 14 LYS N N 14 125.222 124.393 0.829 1
1 79 . 20 1 1 A 14 14 LYS H H 14 8.437 8.946 -0.509 1
1 80 . 20 1 1 A 14 14 LYS CA C 14 54.846 55.014 -0.168 1
1 81 . 20 1 1 A 14 14 LYS HA H 14 5.044 5.092 -0.048 1
1 82 . 20 1 1 A 14 14 LYS CB C 14 36.065 36.654 -0.589 1
1 90 . 20 1 1 A 14 14 LYS C C 14 174.999 174.814 0.185 1
1 95 . 20 1 1 A 15 15 CYS N N 15 127.756 124.879 2.877 1
1 96 . 20 1 1 A 15 15 CYS H H 15 9.327 9.647 -0.320 1
1 97 . 20 1 1 A 15 15 CYS CA C 15 59.366 59.977 -0.611 1
1 98 . 20 1 1 A 15 15 CYS HA H 15 4.576 4.660 -0.084 1
1 99 . 20 1 1 A 15 15 CYS CB C 15 29.545 28.484 1.061 1
1 101 . 20 1 1 A 15 15 CYS C C 15 176.864 176.159 0.705 1
1 103 . 20 1 1 A 16 16 ASN N N 16 130.374 122.705 7.669 1
1 104 . 20 1 1 A 16 16 ASN H H 16 9.432 8.521 0.911 1
1 105 . 20 1 1 A 16 16 ASN CA C 16 55.639 53.319 2.320 1
1 106 . 20 1 1 A 16 16 ASN HA H 16 4.517 4.728 -0.211 1
1 107 . 20 1 1 A 16 16 ASN CB C 16 38.395 39.709 -1.314 1
1 112 . 20 1 1 A 16 16 ASN C C 16 175.480 177.244 -1.764 1
1 114 . 20 1 1 A 17 17 GLU N N 17 120.722 119.722 1.000 1
1 115 . 20 1 1 A 17 17 GLU H H 17 8.665 8.378 0.287 1
1 116 . 20 1 1 A 17 17 GLU CA C 17 58.443 59.008 -0.565 1
1 117 . 20 1 1 A 17 17 GLU HA H 17 4.213 3.903 0.310 1
1 118 . 20 1 1 A 17 17 GLU CB C 17 29.431 29.175 0.256 1
1 122 . 20 1 1 A 17 17 GLU C C 17 177.092 177.863 -0.771 1
1 125 . 20 1 1 A 18 18 CYS N N 18 114.544 115.235 -0.691 1
1 126 . 20 1 1 A 18 18 CYS H H 18 7.925 7.886 0.039 1
1 127 . 20 1 1 A 18 18 CYS CA C 18 58.372 59.487 -1.115 1
1 128 . 20 1 1 A 18 18 CYS HA H 18 5.179 4.618 0.561 1
1 129 . 20 1 1 A 18 18 CYS CB C 18 32.404 29.971 2.433 1
1 131 . 20 1 1 A 18 18 CYS C C 18 176.255 175.678 0.577 1
1 133 . 20 1 1 A 19 19 GLY N N 19 113.579 110.099 3.480 1
1 134 . 20 1 1 A 19 19 GLY H H 19 8.223 8.114 0.109 1
1 135 . 20 1 1 A 19 19 GLY CA C 19 46.317 45.197 1.120 1
1 136 . 20 1 1 A 19 19 GLY HA3 H 19 4.247 4.054 0.193 1
1 137 . 20 1 1 A 19 19 GLY C C 19 173.572 174.551 -0.979 1
1 138 . 20 1 1 A 19 19 GLY HA2 H 19 3.732 4.041 -0.309 1
1 139 . 20 1 1 A 20 20 LYS N N 20 122.482 121.254 1.228 1
1 140 . 20 1 1 A 20 20 LYS H H 20 7.873 7.542 0.331 1
1 141 . 20 1 1 A 20 20 LYS CA C 20 58.246 57.194 1.052 1
1 142 . 20 1 1 A 20 20 LYS HA H 20 4.002 4.196 -0.194 1
1 143 . 20 1 1 A 20 20 LYS CB C 20 33.912 33.444 0.468 1
1 151 . 20 1 1 A 20 20 LYS C C 20 174.324 175.335 -1.011 1
1 156 . 20 1 1 A 21 21 VAL N N 21 116.394 121.932 -5.538 1
1 157 . 20 1 1 A 21 21 VAL H H 21 7.573 8.264 -0.691 1
1 158 . 20 1 1 A 21 21 VAL CA C 21 60.262 61.108 -0.846 1
1 159 . 20 1 1 A 21 21 VAL HA H 21 4.816 5.058 -0.242 1
1 160 . 20 1 1 A 21 21 VAL CB C 21 33.936 34.735 -0.799 1
1 170 . 20 1 1 A 21 21 VAL C C 21 175.317 174.674 0.643 1
1 171 . 20 1 1 A 22 22 PHE N N 22 120.431 125.007 -4.576 1
1 172 . 20 1 1 A 22 22 PHE H H 22 8.792 9.089 -0.297 1
1 173 . 20 1 1 A 22 22 PHE CA C 22 56.890 56.722 0.168 1
1 174 . 20 1 1 A 22 22 PHE HA H 22 4.824 5.021 -0.197 1
1 175 . 20 1 1 A 22 22 PHE CB C 22 44.119 43.760 0.359 1
1 187 . 20 1 1 A 22 22 PHE C C 22 175.683 175.909 -0.226 1
1 189 . 20 1 1 A 23 23 ARG N N 23 119.340 120.639 -1.299 1
1 190 . 20 1 1 A 23 23 ARG H H 23 9.329 9.166 0.163 1
1 191 . 20 1 1 A 23 23 ARG CA C 23 57.346 57.940 -0.594 1
1 192 . 20 1 1 A 23 23 ARG HA H 23 4.466 4.529 -0.063 1
1 193 . 20 1 1 A 23 23 ARG CB C 23 31.371 31.291 0.080 1
1 199 . 20 1 1 A 23 23 ARG C C 23 175.065 176.038 -0.973 1
1 203 . 20 1 1 A 24 24 HIS N N 24 113.216 116.865 -3.649 1
1 204 . 20 1 1 A 24 24 HIS H H 24 7.128 8.275 -1.147 1
1 205 . 20 1 1 A 24 24 HIS CA C 24 55.437 54.040 1.397 1
1 206 . 20 1 1 A 24 24 HIS HA H 24 4.657 4.189 0.468 1
1 207 . 20 1 1 A 24 24 HIS CB C 24 34.517 31.324 3.193 1
1 213 . 20 1 1 A 24 24 HIS C C 24 175.558 174.711 0.847 1
1 215 . 20 1 1 A 25 25 ASN CA C 25 56.177 56.158 0.019 1
1 216 . 20 1 1 A 25 25 ASN HA H 25 3.662 4.033 -0.371 1
1 217 . 20 1 1 A 25 25 ASN CB C 25 38.311 38.774 -0.463 1
1 223 . 20 1 1 A 26 26 SER CA C 26 61.298 61.163 0.135 1
1 224 . 20 1 1 A 26 26 SER HA H 26 4.085 3.901 0.184 1
1 225 . 20 1 1 A 26 26 SER CB C 26 61.728 62.951 -1.223 1
1 227 . 20 1 1 A 26 26 SER C C 26 177.140 176.121 1.019 1
1 229 . 20 1 1 A 27 27 TYR N N 27 121.463 118.955 2.508 1
1 230 . 20 1 1 A 27 27 TYR H H 27 6.951 7.538 -0.587 1
1 231 . 20 1 1 A 27 27 TYR CA C 27 58.633 61.190 -2.557 1
1 232 . 20 1 1 A 27 27 TYR HA H 27 4.342 4.300 0.042 1
1 233 . 20 1 1 A 27 27 TYR CB C 27 37.464 38.433 -0.969 1
1 243 . 20 1 1 A 27 27 TYR C C 27 178.472 178.027 0.445 1
1 245 . 20 1 1 A 28 28 LEU N N 28 122.153 122.184 -0.031 1
1 246 . 20 1 1 A 28 28 LEU H H 28 7.064 8.030 -0.966 1
1 247 . 20 1 1 A 28 28 LEU CA C 28 58.022 57.820 0.202 1
1 248 . 20 1 1 A 28 28 LEU HA H 28 3.260 3.038 0.222 1
1 249 . 20 1 1 A 28 28 LEU CB C 28 40.390 41.444 -1.054 1
1 261 . 20 1 1 A 28 28 LEU C C 28 177.619 178.200 -0.581 1
1 263 . 20 1 1 A 29 29 SER N N 29 114.652 114.556 0.096 1
1 264 . 20 1 1 A 29 29 SER H H 29 8.415 8.322 0.093 1
1 265 . 20 1 1 A 29 29 SER CA C 29 61.724 61.518 0.206 1
1 266 . 20 1 1 A 29 29 SER HA H 29 4.222 4.219 0.003 1
1 267 . 20 1 1 A 29 29 SER CB C 29 62.466 62.958 -0.492 1
1 269 . 20 1 1 A 29 29 SER C C 29 177.182 176.620 0.562 1
1 271 . 20 1 1 A 30 30 ARG N N 30 119.728 119.313 0.415 1
1 272 . 20 1 1 A 30 30 ARG H H 30 7.390 8.024 -0.634 1
1 273 . 20 1 1 A 30 30 ARG CA C 30 59.144 58.095 1.049 1
1 274 . 20 1 1 A 30 30 ARG HA H 30 3.997 4.175 -0.178 1
1 275 . 20 1 1 A 30 30 ARG CB C 30 30.280 29.228 1.052 1
1 281 . 20 1 1 A 30 30 ARG C C 30 178.647 177.854 0.793 1
1 285 . 20 1 1 A 31 31 HIS N N 31 119.367 120.193 -0.826 1
1 286 . 20 1 1 A 31 31 HIS H H 31 7.628 7.881 -0.253 1
1 287 . 20 1 1 A 31 31 HIS CA C 31 59.077 58.720 0.357 1
1 288 . 20 1 1 A 31 31 HIS HA H 31 4.224 4.164 0.060 1
1 289 . 20 1 1 A 31 31 HIS CB C 31 28.526 29.937 -1.411 1
1 295 . 20 1 1 A 31 31 HIS C C 31 176.140 177.150 -1.010 1
1 297 . 20 1 1 A 32 32 GLN N N 32 115.298 117.854 -2.556 1
1 298 . 20 1 1 A 32 32 GLN H H 32 8.337 8.633 -0.296 1
1 299 . 20 1 1 A 32 32 GLN CA C 32 59.342 59.116 0.226 1
1 300 . 20 1 1 A 32 32 GLN HA H 32 3.709 3.671 0.038 1
1 301 . 20 1 1 A 32 32 GLN CB C 32 28.352 28.283 0.069 1
1 310 . 20 1 1 A 33 33 ARG N N 33 117.159 117.556 -0.397 1
1 311 . 20 1 1 A 33 33 ARG H H 33 7.099 7.918 -0.819 1
1 312 . 20 1 1 A 33 33 ARG CA C 33 58.300 58.528 -0.228 1
1 313 . 20 1 1 A 33 33 ARG HA H 33 4.144 4.053 0.091 1
1 314 . 20 1 1 A 33 33 ARG CB C 33 30.024 29.737 0.287 1
1 320 . 20 1 1 A 33 33 ARG C C 33 178.505 177.658 0.847 1
1 324 . 20 1 1 A 34 34 ILE N N 34 116.468 116.016 0.452 1
1 325 . 20 1 1 A 34 34 ILE H H 34 7.818 7.893 -0.075 1
1 326 . 20 1 1 A 34 34 ILE CA C 34 63.072 64.155 -1.083 1
1 327 . 20 1 1 A 34 34 ILE HA H 34 3.975 3.707 0.268 1
1 328 . 20 1 1 A 34 34 ILE CB C 34 37.673 37.183 0.490 1
1 340 . 20 1 1 A 34 34 ILE C C 34 177.406 177.920 -0.514 1
1 342 . 20 1 1 A 35 35 HIS N N 35 117.692 120.897 -3.205 1
1 343 . 20 1 1 A 35 35 HIS H H 35 7.220 7.899 -0.679 1
1 344 . 20 1 1 A 35 35 HIS CA C 35 55.298 59.642 -4.344 1
1 345 . 20 1 1 A 35 35 HIS HA H 35 4.858 4.377 0.481 1
1 346 . 20 1 1 A 35 35 HIS CB C 35 28.597 29.884 -1.287 1
1 352 . 20 1 1 A 35 35 HIS C C 35 175.834 176.738 -0.904 1
1 354 . 20 1 1 A 36 36 THR N N 36 111.637 112.053 -0.416 1
1 355 . 20 1 1 A 36 36 THR H H 36 7.791 7.389 0.402 1
1 356 . 20 1 1 A 36 36 THR CA C 36 62.508 61.625 0.883 1
1 357 . 20 1 1 A 36 36 THR HA H 36 4.358 4.316 0.042 1
1 358 . 20 1 1 A 36 36 THR CB C 36 69.805 67.898 1.907 1
1 364 . 20 1 1 A 36 36 THR C C 36 175.472 175.601 -0.129 1
1 365 . 20 1 1 A 37 37 GLY N N 37 110.597 111.741 -1.144 1
1 366 . 20 1 1 A 37 37 GLY H H 37 8.215 7.898 0.317 1
1 367 . 20 1 1 A 37 37 GLY CA C 37 45.345 46.137 -0.792 1
1 368 . 20 1 1 A 37 37 GLY HA3 H 37 3.941 4.022 -0.081 1
1 369 . 20 1 1 A 37 37 GLY C C 37 174.037 174.748 -0.711 1
1 370 . 20 1 1 A 37 37 GLY HA2 H 37 4.036 4.010 0.026 1
1 371 . 20 1 1 A 38 38 GLU N N 38 120.595 121.557 -0.962 1
1 372 . 20 1 1 A 38 38 GLU H H 38 8.082 7.949 0.133 1
1 373 . 20 1 1 A 38 38 GLU CA C 38 56.438 55.362 1.076 1
1 374 . 20 1 1 A 38 38 GLU HA H 38 4.244 4.455 -0.211 1
1 375 . 20 1 1 A 38 38 GLU CB C 38 30.533 28.895 1.638 1
1 379 . 20 1 1 A 38 38 GLU C C 38 176.198 175.344 0.854 1
1 382 . 20 1 1 A 39 39 LYS N N 39 123.862 123.312 0.550 1
1 383 . 20 1 1 A 39 39 LYS H H 39 8.413 7.417 0.996 1
1 384 . 20 1 1 A 39 39 LYS CA C 39 54.115 53.422 0.693 1
1 385 . 20 1 1 A 39 39 LYS HA H 39 4.602 4.837 -0.235 1
1 386 . 20 1 1 A 39 39 LYS CB C 39 32.503 36.090 -3.587 1
1 394 . 20 1 1 A 39 39 LYS C C 39 174.491 173.622 0.869 1
1 399 . 20 1 1 A 40 40 PRO CA C 40 63.230 62.721 0.509 1
1 400 . 20 1 1 A 40 40 PRO HA H 40 4.457 4.492 -0.035 1
1 401 . 20 1 1 A 40 40 PRO CB C 40 32.215 31.912 0.303 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 1.156 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.181 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.157 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.549 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.293 1
6 1 1 1 "RMS(OBS, PRED)" N 29 2.895 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.970 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.354 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.217 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.507 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.248 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.696 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.939 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.202 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.242 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.588 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.243 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.742 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.990 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.244 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.218 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.255 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.830 1
25 1 5 1 "RMS(OBS, PRED)" C 31 1.185 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.178 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.486 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.459 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.323 1
30 1 5 1 "RMS(OBS, PRED)" N 29 2.693 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.905 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.176 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.367 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.452 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.257 1
36 1 6 1 "RMS(OBS, PRED)" N 29 2.830 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.968 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.280 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.299 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.539 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.268 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.455 1
43 1 8 1 "RMS(OBS, PRED)" C 31 1.132 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.285 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.344 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.465 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.289 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.937 1
49 1 9 1 "RMS(OBS, PRED)" C 31 1.023 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.247 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.245 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.530 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.267 1
54 1 9 1 "RMS(OBS, PRED)" N 29 2.663 1
55 1 10 1 "RMS(OBS, PRED)" C 31 1.031 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.410 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.204 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.515 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.284 1
60 1 10 1 "RMS(OBS, PRED)" N 29 2.425 1
61 1 11 1 "RMS(OBS, PRED)" C 31 1.068 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.065 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.263 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.469 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.248 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.885 1
67 1 12 1 "RMS(OBS, PRED)" C 31 1.112 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.331 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.340 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.458 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.316 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.748 1
73 1 13 1 "RMS(OBS, PRED)" C 31 1.042 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.160 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.171 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.469 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.272 1
78 1 13 1 "RMS(OBS, PRED)" N 29 2.499 1
79 1 14 1 "RMS(OBS, PRED)" C 31 1.069 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.053 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.257 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.474 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.422 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.952 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.158 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.363 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.506 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.270 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.961 1
91 1 16 1 "RMS(OBS, PRED)" C 31 1.169 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.371 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.523 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.486 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.304 1
96 1 16 1 "RMS(OBS, PRED)" N 29 2.482 1
97 1 17 1 "RMS(OBS, PRED)" C 31 1.002 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.142 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.300 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.488 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.289 1
102 1 17 1 "RMS(OBS, PRED)" N 29 2.991 1
103 1 18 1 "RMS(OBS, PRED)" C 31 1.198 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.093 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.487 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.459 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.288 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.497 1
109 1 19 1 "RMS(OBS, PRED)" C 31 1.113 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 0.935 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.158 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.459 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.276 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.757 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.943 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.317 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.390 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.547 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.287 1
120 1 20 1 "RMS(OBS, PRED)" N 29 2.695 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.404 45.191 0.213 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.019 4.118 -0.099 2
1 3 . 1 1 A 7 7 GLY C C 7 174.534 173.322 1.212 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 4.019 4.115 -0.096 2
1 5 . 1 1 A 8 8 THR N N 8 112.887 115.070 -2.183 2
1 6 . 1 1 A 8 8 THR H H 8 8.161 8.390 -0.229 2
1 7 . 1 1 A 8 8 THR CA C 8 61.885 61.465 0.420 2
1 8 . 1 1 A 8 8 THR HA H 8 4.366 4.635 -0.269 2
1 9 . 1 1 A 8 8 THR CB C 8 69.813 70.105 -0.292 2
1 15 . 1 1 A 8 8 THR C C 8 175.242 174.374 0.868 2
1 16 . 1 1 A 9 9 GLY N N 9 110.959 112.535 -1.576 2
1 17 . 1 1 A 9 9 GLY H H 9 8.457 8.528 -0.071 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.259 45.325 -0.066 2
1 19 . 1 1 A 9 9 GLY HA3 H 9 3.931 4.063 -0.132 2
1 20 . 1 1 A 9 9 GLY C C 9 174.041 173.825 0.216 2
1 21 . 1 1 A 9 9 GLY HA2 H 9 3.931 4.059 -0.128 2
1 22 . 1 1 A 10 10 GLU N N 10 120.453 120.756 -0.303 2
1 23 . 1 1 A 10 10 GLU H H 10 8.222 8.439 -0.217 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.686 55.724 0.962 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.229 4.671 -0.442 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.533 31.144 -0.611 2
1 30 . 1 1 A 10 10 GLU C C 10 176.213 175.357 0.856 2
1 33 . 1 1 A 11 11 LYS N N 11 122.472 122.568 -0.096 2
1 34 . 1 1 A 11 11 LYS H H 11 8.251 8.093 0.158 2
1 35 . 1 1 A 11 11 LYS CA C 11 53.888 53.818 0.070 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.524 4.655 -0.131 2
1 37 . 1 1 A 11 11 LYS CB C 11 32.818 33.066 -0.248 2
1 45 . 1 1 A 11 11 LYS C C 11 173.839 176.416 -2.577 2
1 50 . 1 1 A 12 12 PRO CA C 12 62.929 64.061 -1.131 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.338 4.375 -0.037 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.388 31.376 1.012 2
1 58 . 1 1 A 12 12 PRO C C 12 176.346 175.719 0.627 2
1 62 . 1 1 A 13 13 TYR N N 13 119.836 118.901 0.935 2
1 63 . 1 1 A 13 13 TYR H H 13 8.099 7.606 0.493 2
1 64 . 1 1 A 13 13 TYR CA C 13 57.638 56.629 1.009 2
1 65 . 1 1 A 13 13 TYR HA H 13 4.565 5.197 -0.632 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.246 39.953 -1.707 2
1 76 . 1 1 A 13 13 TYR C C 13 174.063 174.239 -0.176 2
1 78 . 1 1 A 14 14 LYS N N 14 125.222 124.881 0.341 2
1 79 . 1 1 A 14 14 LYS H H 14 8.437 8.969 -0.532 2
1 80 . 1 1 A 14 14 LYS CA C 14 54.846 54.754 0.092 2
1 81 . 1 1 A 14 14 LYS HA H 14 5.044 5.183 -0.139 2
1 82 . 1 1 A 14 14 LYS CB C 14 36.065 36.379 -0.314 2
1 90 . 1 1 A 14 14 LYS C C 14 174.999 175.087 -0.088 2
1 95 . 1 1 A 15 15 CYS N N 15 127.756 124.805 2.951 2
1 96 . 1 1 A 15 15 CYS H H 15 9.327 9.484 -0.157 2
1 97 . 1 1 A 15 15 CYS CA C 15 59.366 59.821 -0.455 2
1 98 . 1 1 A 15 15 CYS HA H 15 4.576 4.609 -0.033 2
1 99 . 1 1 A 15 15 CYS CB C 15 29.545 28.570 0.975 2
1 101 . 1 1 A 15 15 CYS C C 15 176.864 175.304 1.560 2
1 103 . 1 1 A 16 16 ASN N N 16 130.374 125.501 4.873 2
1 104 . 1 1 A 16 16 ASN H H 16 9.432 8.977 0.454 2
1 105 . 1 1 A 16 16 ASN CA C 16 55.639 53.848 1.791 2
1 106 . 1 1 A 16 16 ASN HA H 16 4.517 4.850 -0.333 2
1 107 . 1 1 A 16 16 ASN CB C 16 38.395 39.036 -0.641 2
1 112 . 1 1 A 16 16 ASN C C 16 175.480 176.727 -1.247 2
1 114 . 1 1 A 17 17 GLU N N 17 120.722 119.393 1.329 2
1 115 . 1 1 A 17 17 GLU H H 17 8.665 8.080 0.585 2
1 116 . 1 1 A 17 17 GLU CA C 17 58.443 58.327 0.116 2
1 117 . 1 1 A 17 17 GLU HA H 17 4.213 4.052 0.161 2
1 118 . 1 1 A 17 17 GLU CB C 17 29.431 29.302 0.130 2
1 122 . 1 1 A 17 17 GLU C C 17 177.092 177.872 -0.780 2
1 125 . 1 1 A 18 18 CYS N N 18 114.544 114.907 -0.363 2
1 126 . 1 1 A 18 18 CYS H H 18 7.925 7.823 0.102 2
1 127 . 1 1 A 18 18 CYS CA C 18 58.372 59.569 -1.197 2
1 128 . 1 1 A 18 18 CYS HA H 18 5.179 4.677 0.502 2
1 129 . 1 1 A 18 18 CYS CB C 18 32.404 29.951 2.453 2
1 131 . 1 1 A 18 18 CYS C C 18 176.255 175.558 0.697 2
1 133 . 1 1 A 19 19 GLY N N 19 113.579 109.982 3.597 2
1 134 . 1 1 A 19 19 GLY H H 19 8.223 8.068 0.155 2
1 135 . 1 1 A 19 19 GLY CA C 19 46.317 45.275 1.042 2
1 136 . 1 1 A 19 19 GLY HA3 H 19 4.247 4.060 0.187 2
1 137 . 1 1 A 19 19 GLY C C 19 173.572 174.556 -0.984 2
1 138 . 1 1 A 19 19 GLY HA2 H 19 3.732 4.049 -0.317 2
1 139 . 1 1 A 20 20 LYS N N 20 122.482 120.635 1.847 2
1 140 . 1 1 A 20 20 LYS H H 20 7.873 7.525 0.348 2
1 141 . 1 1 A 20 20 LYS CA C 20 58.246 56.601 1.645 2
1 142 . 1 1 A 20 20 LYS HA H 20 4.002 4.293 -0.291 2
1 143 . 1 1 A 20 20 LYS CB C 20 33.912 33.632 0.280 2
1 151 . 1 1 A 20 20 LYS C C 20 174.324 175.377 -1.053 2
1 156 . 1 1 A 21 21 VAL N N 21 116.394 121.418 -5.024 2
1 157 . 1 1 A 21 21 VAL H H 21 7.573 8.192 -0.619 2
1 158 . 1 1 A 21 21 VAL CA C 21 60.262 60.786 -0.524 2
1 159 . 1 1 A 21 21 VAL HA H 21 4.816 4.995 -0.179 2
1 160 . 1 1 A 21 21 VAL CB C 21 33.936 35.180 -1.244 2
1 170 . 1 1 A 21 21 VAL C C 21 175.317 174.546 0.771 2
1 171 . 1 1 A 22 22 PHE N N 22 120.431 124.294 -3.863 2
1 172 . 1 1 A 22 22 PHE H H 22 8.792 9.034 -0.242 2
1 173 . 1 1 A 22 22 PHE CA C 22 56.890 56.620 0.270 2
1 174 . 1 1 A 22 22 PHE HA H 22 4.824 5.017 -0.193 2
1 175 . 1 1 A 22 22 PHE CB C 22 44.119 43.793 0.326 2
1 187 . 1 1 A 22 22 PHE C C 22 175.683 175.650 0.033 2
1 189 . 1 1 A 23 23 ARG N N 23 119.340 122.016 -2.676 2
1 190 . 1 1 A 23 23 ARG H H 23 9.329 9.061 0.268 2
1 191 . 1 1 A 23 23 ARG CA C 23 57.346 57.800 -0.454 2
1 192 . 1 1 A 23 23 ARG HA H 23 4.466 4.503 -0.037 2
1 193 . 1 1 A 23 23 ARG CB C 23 31.371 31.307 0.064 2
1 199 . 1 1 A 23 23 ARG C C 23 175.065 175.853 -0.788 2
1 203 . 1 1 A 24 24 HIS N N 24 113.216 117.663 -4.447 2
1 204 . 1 1 A 24 24 HIS H H 24 7.128 8.237 -1.109 2
1 205 . 1 1 A 24 24 HIS CA C 24 55.437 54.743 0.694 2
1 206 . 1 1 A 24 24 HIS HA H 24 4.657 4.566 0.091 2
1 207 . 1 1 A 24 24 HIS CB C 24 34.517 31.545 2.972 2
1 213 . 1 1 A 24 24 HIS C C 24 175.558 175.194 0.364 2
1 215 . 1 1 A 25 25 ASN CA C 25 56.177 55.907 0.270 2
1 216 . 1 1 A 25 25 ASN HA H 25 3.662 3.906 -0.244 2
1 217 . 1 1 A 25 25 ASN CB C 25 38.311 37.884 0.427 2
1 223 . 1 1 A 26 26 SER CA C 26 61.298 61.448 -0.150 2
1 224 . 1 1 A 26 26 SER HA H 26 4.085 3.987 0.098 2
1 225 . 1 1 A 26 26 SER CB C 26 61.728 62.849 -1.121 2
1 227 . 1 1 A 26 26 SER C C 26 177.140 176.378 0.762 2
1 229 . 1 1 A 27 27 TYR N N 27 121.463 119.340 2.123 2
1 230 . 1 1 A 27 27 TYR H H 27 6.951 7.585 -0.634 2
1 231 . 1 1 A 27 27 TYR CA C 27 58.633 61.073 -2.440 2
1 232 . 1 1 A 27 27 TYR HA H 27 4.342 4.321 0.021 2
1 233 . 1 1 A 27 27 TYR CB C 27 37.464 38.246 -0.782 2
1 243 . 1 1 A 27 27 TYR C C 27 178.472 178.018 0.453 2
1 245 . 1 1 A 28 28 LEU N N 28 122.153 121.845 0.308 2
1 246 . 1 1 A 28 28 LEU H H 28 7.064 7.847 -0.783 2
1 247 . 1 1 A 28 28 LEU CA C 28 58.022 57.591 0.431 2
1 248 . 1 1 A 28 28 LEU HA H 28 3.260 3.008 0.252 2
1 249 . 1 1 A 28 28 LEU CB C 28 40.390 41.327 -0.937 2
1 261 . 1 1 A 28 28 LEU C C 28 177.619 178.389 -0.770 2
1 263 . 1 1 A 29 29 SER N N 29 114.652 114.969 -0.317 2
1 264 . 1 1 A 29 29 SER H H 29 8.415 8.263 0.152 2
1 265 . 1 1 A 29 29 SER CA C 29 61.724 61.629 0.095 2
1 266 . 1 1 A 29 29 SER HA H 29 4.222 4.019 0.203 2
1 267 . 1 1 A 29 29 SER CB C 29 62.466 62.833 -0.367 2
1 269 . 1 1 A 29 29 SER C C 29 177.182 176.872 0.310 2
1 271 . 1 1 A 30 30 ARG N N 30 119.728 120.440 -0.712 2
1 272 . 1 1 A 30 30 ARG H H 30 7.390 7.805 -0.415 2
1 273 . 1 1 A 30 30 ARG CA C 30 59.144 58.964 0.180 2
1 274 . 1 1 A 30 30 ARG HA H 30 3.997 4.124 -0.127 2
1 275 . 1 1 A 30 30 ARG CB C 30 30.280 29.682 0.598 2
1 281 . 1 1 A 30 30 ARG C C 30 178.647 178.450 0.197 2
1 285 . 1 1 A 31 31 HIS N N 31 119.367 120.341 -0.974 2
1 286 . 1 1 A 31 31 HIS H H 31 7.628 7.924 -0.296 2
1 287 . 1 1 A 31 31 HIS CA C 31 59.077 59.282 -0.205 2
1 288 . 1 1 A 31 31 HIS HA H 31 4.224 4.222 0.002 2
1 289 . 1 1 A 31 31 HIS CB C 31 28.526 30.018 -1.492 2
1 295 . 1 1 A 31 31 HIS C C 31 176.140 177.010 -0.870 2
1 297 . 1 1 A 32 32 GLN N N 32 115.298 117.395 -2.097 2
1 298 . 1 1 A 32 32 GLN H H 32 8.337 8.442 -0.105 2
1 299 . 1 1 A 32 32 GLN CA C 32 59.342 59.121 0.221 2
1 300 . 1 1 A 32 32 GLN HA H 32 3.709 3.765 -0.056 2
1 301 . 1 1 A 32 32 GLN CB C 32 28.352 28.272 0.080 2
1 310 . 1 1 A 33 33 ARG N N 33 117.159 119.745 -2.586 2
1 311 . 1 1 A 33 33 ARG H H 33 7.099 7.849 -0.750 2
1 312 . 1 1 A 33 33 ARG CA C 33 58.300 58.967 -0.667 2
1 313 . 1 1 A 33 33 ARG HA H 33 4.144 4.054 0.090 2
1 314 . 1 1 A 33 33 ARG CB C 33 30.024 29.892 0.132 2
1 320 . 1 1 A 33 33 ARG C C 33 178.505 178.620 -0.115 2
1 324 . 1 1 A 34 34 ILE N N 34 116.468 117.365 -0.897 2
1 325 . 1 1 A 34 34 ILE H H 34 7.818 7.851 -0.033 2
1 326 . 1 1 A 34 34 ILE CA C 34 63.072 63.712 -0.640 2
1 327 . 1 1 A 34 34 ILE HA H 34 3.975 3.755 0.220 2
1 328 . 1 1 A 34 34 ILE CB C 34 37.673 37.275 0.398 2
1 340 . 1 1 A 34 34 ILE C C 34 177.406 177.417 -0.011 2
1 342 . 1 1 A 35 35 HIS N N 35 117.692 119.979 -2.287 2
1 343 . 1 1 A 35 35 HIS H H 35 7.220 7.700 -0.480 2
1 344 . 1 1 A 35 35 HIS CA C 35 55.298 58.153 -2.855 2
1 345 . 1 1 A 35 35 HIS HA H 35 4.858 4.482 0.376 2
1 346 . 1 1 A 35 35 HIS CB C 35 28.597 30.446 -1.849 2
1 352 . 1 1 A 35 35 HIS C C 35 175.834 176.181 -0.347 2
1 354 . 1 1 A 36 36 THR N N 36 111.637 111.343 0.294 2
1 355 . 1 1 A 36 36 THR H H 36 7.791 7.882 -0.091 2
1 356 . 1 1 A 36 36 THR CA C 36 62.508 62.449 0.059 2
1 357 . 1 1 A 36 36 THR HA H 36 4.358 4.303 0.055 2
1 358 . 1 1 A 36 36 THR CB C 36 69.805 69.276 0.529 2
1 364 . 1 1 A 36 36 THR C C 36 175.472 174.906 0.566 2
1 365 . 1 1 A 37 37 GLY N N 37 110.597 111.162 -0.565 2
1 366 . 1 1 A 37 37 GLY H H 37 8.215 8.285 -0.070 2
1 367 . 1 1 A 37 37 GLY CA C 37 45.345 46.059 -0.714 2
1 368 . 1 1 A 37 37 GLY HA3 H 37 3.941 4.019 -0.078 2
1 369 . 1 1 A 37 37 GLY C C 37 174.037 173.702 0.335 2
1 370 . 1 1 A 37 37 GLY HA2 H 37 4.036 4.014 0.022 2
1 371 . 1 1 A 38 38 GLU N N 38 120.595 121.103 -0.508 2
1 372 . 1 1 A 38 38 GLU H H 38 8.082 8.219 -0.137 2
1 373 . 1 1 A 38 38 GLU CA C 38 56.438 55.592 0.846 2
1 374 . 1 1 A 38 38 GLU HA H 38 4.244 4.628 -0.384 2
1 375 . 1 1 A 38 38 GLU CB C 38 30.533 30.938 -0.405 2
1 379 . 1 1 A 38 38 GLU C C 38 176.198 175.452 0.746 2
1 382 . 1 1 A 39 39 LYS N N 39 123.862 124.421 -0.559 2
1 383 . 1 1 A 39 39 LYS H H 39 8.413 8.431 -0.018 2
1 384 . 1 1 A 39 39 LYS CA C 39 54.115 54.052 0.063 2
1 385 . 1 1 A 39 39 LYS HA H 39 4.602 4.635 -0.033 2
1 386 . 1 1 A 39 39 LYS CB C 39 32.503 33.683 -1.180 2
1 394 . 1 1 A 39 39 LYS C C 39 174.491 175.012 -0.521 2
1 399 . 1 1 A 40 40 PRO CA C 40 63.230 62.973 0.257 2
1 400 . 1 1 A 40 40 PRO HA H 40 4.457 4.601 -0.144 2
1 401 . 1 1 A 40 40 PRO CB C 40 32.215 32.047 0.168 2
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