data_10210_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10210
_Entry.PDB_ID 2EP0
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR CA C 8 61.784 64.141 -2.357 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.319 4.173 0.146 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.847 68.543 1.304 1
1 9 . 1 1 1 A 8 8 THR C C 8 175.419 174.910 0.509 1
1 10 . 1 1 1 A 9 9 GLY N N 9 110.845 113.457 -2.612 1
1 11 . 1 1 1 A 9 9 GLY H H 9 8.420 8.374 0.046 1
1 12 . 1 1 1 A 9 9 GLY CA C 9 45.170 45.998 -0.828 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.904 3.992 -0.088 1
1 14 . 1 1 1 A 9 9 GLY HA3 H 9 3.904 4.000 -0.096 1
1 15 . 1 1 1 A 9 9 GLY C C 9 174.056 174.164 -0.108 1
1 16 . 1 1 1 A 10 10 GLU N N 10 120.245 121.887 -1.642 1
1 17 . 1 1 1 A 10 10 GLU H H 10 8.182 7.927 0.255 1
1 18 . 1 1 1 A 10 10 GLU CA C 10 56.868 55.647 1.221 1
1 19 . 1 1 1 A 10 10 GLU HA H 10 4.130 4.396 -0.266 1
1 20 . 1 1 1 A 10 10 GLU CB C 10 30.270 28.920 1.350 1
1 26 . 1 1 1 A 10 10 GLU C C 10 176.191 174.987 1.204 1
1 27 . 1 1 1 A 11 11 LYS N N 11 121.318 127.015 -5.697 1
1 28 . 1 1 1 A 11 11 LYS H H 11 8.244 8.184 0.060 1
1 29 . 1 1 1 A 11 11 LYS CA C 11 53.800 53.430 0.370 1
1 30 . 1 1 1 A 11 11 LYS HA H 11 4.483 4.708 -0.225 1
1 31 . 1 1 1 A 11 11 LYS CB C 11 32.900 32.514 0.386 1
1 43 . 1 1 1 A 11 11 LYS C C 11 174.450 176.277 -1.827 1
1 44 . 1 1 1 A 12 12 PRO CA C 12 63.627 64.020 -0.393 1
1 45 . 1 1 1 A 12 12 PRO HA H 12 4.275 4.286 -0.011 1
1 46 . 1 1 1 A 12 12 PRO CB C 12 32.265 31.215 1.050 1
1 55 . 1 1 1 A 12 12 PRO C C 12 176.363 175.770 0.593 1
1 56 . 1 1 1 A 13 13 TYR N N 13 118.698 118.508 0.190 1
1 57 . 1 1 1 A 13 13 TYR H H 13 7.867 7.587 0.280 1
1 58 . 1 1 1 A 13 13 TYR CA C 13 57.667 56.628 1.039 1
1 59 . 1 1 1 A 13 13 TYR HA H 13 4.544 5.169 -0.625 1
1 60 . 1 1 1 A 13 13 TYR CB C 13 38.526 40.042 -1.516 1
1 71 . 1 1 1 A 13 13 TYR C C 13 174.411 174.109 0.302 1
1 72 . 1 1 1 A 14 14 LYS N N 14 124.941 125.538 -0.597 1
1 73 . 1 1 1 A 14 14 LYS H H 14 8.654 9.133 -0.479 1
1 74 . 1 1 1 A 14 14 LYS CA C 14 54.893 54.365 0.528 1
1 75 . 1 1 1 A 14 14 LYS HA H 14 4.963 5.422 -0.459 1
1 76 . 1 1 1 A 14 14 LYS CB C 14 35.303 35.879 -0.576 1
1 88 . 1 1 1 A 14 14 LYS C C 14 175.030 175.185 -0.155 1
1 89 . 1 1 1 A 15 15 CYS N N 15 126.764 124.613 2.151 1
1 90 . 1 1 1 A 15 15 CYS H H 15 9.018 9.383 -0.365 1
1 91 . 1 1 1 A 15 15 CYS CA C 15 59.556 59.879 -0.323 1
1 92 . 1 1 1 A 15 15 CYS HA H 15 4.477 4.503 -0.026 1
1 93 . 1 1 1 A 15 15 CYS CB C 15 29.711 28.664 1.047 1
1 96 . 1 1 1 A 15 15 CYS C C 15 176.438 175.456 0.982 1
1 97 . 1 1 1 A 16 16 ASP N N 16 130.452 125.006 5.446 1
1 98 . 1 1 1 A 16 16 ASP H H 16 9.146 9.093 0.053 1
1 99 . 1 1 1 A 16 16 ASP CA C 16 56.059 53.308 2.751 1
1 100 . 1 1 1 A 16 16 ASP HA H 16 4.418 5.013 -0.595 1
1 101 . 1 1 1 A 16 16 ASP CB C 16 40.594 41.327 -0.733 1
1 104 . 1 1 1 A 16 16 ASP C C 16 175.426 176.906 -1.480 1
1 105 . 1 1 1 A 17 17 VAL N N 17 120.987 118.114 2.873 1
1 106 . 1 1 1 A 17 17 VAL H H 17 8.652 8.164 0.488 1
1 107 . 1 1 1 A 17 17 VAL CA C 17 64.823 63.122 1.701 1
1 108 . 1 1 1 A 17 17 VAL HA H 17 3.696 4.388 -0.692 1
1 109 . 1 1 1 A 17 17 VAL CB C 17 33.002 34.219 -1.217 1
1 119 . 1 1 1 A 17 17 VAL C C 17 176.458 176.751 -0.293 1
1 120 . 1 1 1 A 18 18 CYS N N 18 115.671 118.522 -2.851 1
1 121 . 1 1 1 A 18 18 CYS H H 18 7.886 7.968 -0.082 1
1 122 . 1 1 1 A 18 18 CYS CA C 18 57.837 58.013 -0.176 1
1 123 . 1 1 1 A 18 18 CYS HA H 18 4.894 4.295 0.599 1
1 124 . 1 1 1 A 18 18 CYS CB C 18 31.838 29.883 1.955 1
1 127 . 1 1 1 A 18 18 CYS C C 18 175.672 175.130 0.542 1
1 128 . 1 1 1 A 19 19 HIS N N 19 116.359 115.255 1.104 1
1 129 . 1 1 1 A 19 19 HIS H H 19 7.660 8.175 -0.515 1
1 130 . 1 1 1 A 19 19 HIS CA C 19 57.841 57.218 0.623 1
1 131 . 1 1 1 A 19 19 HIS HA H 19 4.496 4.266 0.230 1
1 132 . 1 1 1 A 19 19 HIS CB C 19 27.348 26.675 0.673 1
1 139 . 1 1 1 A 19 19 HIS C C 19 174.238 174.146 0.092 1
1 140 . 1 1 1 A 20 20 LYS N N 20 122.372 119.276 3.096 1
1 141 . 1 1 1 A 20 20 LYS H H 20 7.838 7.941 -0.103 1
1 142 . 1 1 1 A 20 20 LYS CA C 20 57.897 55.328 2.569 1
1 143 . 1 1 1 A 20 20 LYS HA H 20 4.131 4.230 -0.099 1
1 144 . 1 1 1 A 20 20 LYS CB C 20 34.042 32.464 1.578 1
1 156 . 1 1 1 A 20 20 LYS C C 20 174.512 175.852 -1.340 1
1 157 . 1 1 1 A 21 21 SER N N 21 115.643 120.665 -5.022 1
1 158 . 1 1 1 A 21 21 SER H H 21 7.862 8.387 -0.525 1
1 159 . 1 1 1 A 21 21 SER CA C 21 56.970 58.160 -1.190 1
1 160 . 1 1 1 A 21 21 SER HA H 21 5.289 4.442 0.847 1
1 161 . 1 1 1 A 21 21 SER CB C 21 66.008 64.251 1.757 1
1 164 . 1 1 1 A 21 21 SER C C 21 173.011 174.114 -1.103 1
1 165 . 1 1 1 A 22 22 PHE N N 22 117.902 119.383 -1.481 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.876 8.983 -0.107 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.348 56.181 1.167 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.673 5.012 -0.339 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 43.619 41.544 2.075 1
1 182 . 1 1 1 A 22 22 PHE C C 22 174.751 175.946 -1.195 1
1 183 . 1 1 1 A 23 23 ARG CA C 23 58.414 58.812 -0.398 1
1 184 . 1 1 1 A 23 23 ARG HA H 23 4.207 4.264 -0.057 1
1 185 . 1 1 1 A 23 23 ARG CB C 23 31.078 30.672 0.406 1
1 194 . 1 1 1 A 23 23 ARG C C 23 175.172 175.485 -0.313 1
1 195 . 1 1 1 A 24 24 TYR N N 24 112.481 117.713 -5.232 1
1 196 . 1 1 1 A 24 24 TYR H H 24 7.392 8.270 -0.878 1
1 197 . 1 1 1 A 24 24 TYR CA C 24 55.424 56.392 -0.968 1
1 198 . 1 1 1 A 24 24 TYR HA H 24 4.990 5.015 -0.025 1
1 199 . 1 1 1 A 24 24 TYR CB C 24 41.056 41.286 -0.230 1
1 210 . 1 1 1 A 24 24 TYR C C 24 176.547 176.201 0.346 1
1 211 . 1 1 1 A 25 25 GLY N N 25 113.229 112.018 1.211 1
1 212 . 1 1 1 A 25 25 GLY H H 25 8.444 8.220 0.224 1
1 213 . 1 1 1 A 25 25 GLY CA C 25 46.807 46.745 0.062 1
1 214 . 1 1 1 A 25 25 GLY HA2 H 25 3.339 2.808 0.531 1
1 215 . 1 1 1 A 25 25 GLY HA3 H 25 2.763 2.868 -0.105 1
1 216 . 1 1 1 A 25 25 GLY C C 25 176.648 175.623 1.025 1
1 217 . 1 1 1 A 26 26 SER CA C 26 60.443 61.369 -0.926 1
1 218 . 1 1 1 A 26 26 SER HA H 26 4.070 4.056 0.014 1
1 219 . 1 1 1 A 26 26 SER CB C 26 61.509 62.719 -1.210 1
1 222 . 1 1 1 A 27 27 SER N N 27 117.119 117.278 -0.159 1
1 223 . 1 1 1 A 27 27 SER H H 27 6.975 7.950 -0.975 1
1 224 . 1 1 1 A 27 27 SER CA C 27 60.612 62.221 -1.609 1
1 225 . 1 1 1 A 27 27 SER HA H 27 4.193 3.995 0.198 1
1 226 . 1 1 1 A 27 27 SER CB C 27 62.516 63.148 -0.632 1
1 229 . 1 1 1 A 28 28 LEU N N 28 123.770 122.469 1.301 1
1 230 . 1 1 1 A 28 28 LEU H H 28 7.044 7.394 -0.350 1
1 231 . 1 1 1 A 28 28 LEU CA C 28 57.811 57.765 0.046 1
1 232 . 1 1 1 A 28 28 LEU HA H 28 3.243 2.326 0.917 1
1 233 . 1 1 1 A 28 28 LEU CB C 28 40.095 41.791 -1.696 1
1 246 . 1 1 1 A 28 28 LEU C C 28 177.169 178.389 -1.220 1
1 247 . 1 1 1 A 29 29 THR N N 29 116.170 113.432 2.738 1
1 248 . 1 1 1 A 29 29 THR H H 29 8.074 7.520 0.554 1
1 249 . 1 1 1 A 29 29 THR CA C 29 66.661 66.621 0.040 1
1 250 . 1 1 1 A 29 29 THR HA H 29 3.920 3.851 0.069 1
1 251 . 1 1 1 A 29 29 THR CB C 29 68.519 68.367 0.152 1
1 257 . 1 1 1 A 29 29 THR C C 29 176.819 176.666 0.153 1
1 258 . 1 1 1 A 30 30 VAL N N 30 119.670 120.909 -1.239 1
1 259 . 1 1 1 A 30 30 VAL H H 30 7.348 7.943 -0.595 1
1 260 . 1 1 1 A 30 30 VAL CA C 30 66.447 66.148 0.299 1
1 261 . 1 1 1 A 30 30 VAL HA H 30 3.514 3.673 -0.159 1
1 262 . 1 1 1 A 30 30 VAL CB C 30 32.129 31.595 0.534 1
1 272 . 1 1 1 A 30 30 VAL C C 30 178.591 178.273 0.318 1
1 273 . 1 1 1 A 31 31 HIS N N 31 120.141 120.269 -0.128 1
1 274 . 1 1 1 A 31 31 HIS H H 31 7.568 7.920 -0.352 1
1 275 . 1 1 1 A 31 31 HIS CA C 31 59.358 59.137 0.221 1
1 276 . 1 1 1 A 31 31 HIS HA H 31 4.126 4.205 -0.079 1
1 277 . 1 1 1 A 31 31 HIS CB C 31 28.376 29.866 -1.490 1
1 284 . 1 1 1 A 31 31 HIS C C 31 176.177 177.359 -1.182 1
1 285 . 1 1 1 A 32 32 GLN N N 32 114.511 118.066 -3.555 1
1 286 . 1 1 1 A 32 32 GLN H H 32 8.405 8.350 0.055 1
1 287 . 1 1 1 A 32 32 GLN CA C 32 59.401 58.280 1.121 1
1 288 . 1 1 1 A 32 32 GLN HA H 32 3.641 3.985 -0.344 1
1 289 . 1 1 1 A 32 32 GLN CB C 32 28.353 28.352 0.001 1
1 298 . 1 1 1 A 32 32 GLN C C 32 177.404 178.807 -1.403 1
1 299 . 1 1 1 A 33 33 ARG N N 33 117.508 119.055 -1.547 1
1 300 . 1 1 1 A 33 33 ARG H H 33 7.166 7.680 -0.514 1
1 301 . 1 1 1 A 33 33 ARG CA C 33 58.468 58.836 -0.368 1
1 302 . 1 1 1 A 33 33 ARG HA H 33 4.118 3.987 0.131 1
1 303 . 1 1 1 A 33 33 ARG CB C 33 30.021 29.806 0.215 1
1 312 . 1 1 1 A 33 33 ARG C C 33 178.686 178.950 -0.264 1
1 313 . 1 1 1 A 34 34 ILE N N 34 115.983 116.909 -0.926 1
1 314 . 1 1 1 A 34 34 ILE H H 34 7.823 7.215 0.608 1
1 315 . 1 1 1 A 34 34 ILE CA C 34 63.142 63.842 -0.700 1
1 316 . 1 1 1 A 34 34 ILE HA H 34 3.945 3.828 0.117 1
1 317 . 1 1 1 A 34 34 ILE CB C 34 37.712 36.816 0.896 1
1 330 . 1 1 1 A 34 34 ILE C C 34 177.354 177.271 0.083 1
1 331 . 1 1 1 A 35 35 HIS N N 35 117.112 119.514 -2.402 1
1 332 . 1 1 1 A 35 35 HIS H H 35 7.179 7.858 -0.679 1
1 333 . 1 1 1 A 35 35 HIS CA C 35 54.859 58.054 -3.195 1
1 334 . 1 1 1 A 35 35 HIS HA H 35 4.905 4.431 0.474 1
1 335 . 1 1 1 A 35 35 HIS CB C 35 28.376 30.907 -2.531 1
1 342 . 1 1 1 A 35 35 HIS C C 35 175.680 175.413 0.267 1
1 343 . 1 1 1 A 36 36 THR N N 36 112.051 114.130 -2.079 1
1 344 . 1 1 1 A 36 36 THR H H 36 7.737 7.703 0.034 1
1 345 . 1 1 1 A 36 36 THR CA C 36 62.670 60.425 2.245 1
1 346 . 1 1 1 A 36 36 THR HA H 36 4.312 4.537 -0.225 1
1 347 . 1 1 1 A 36 36 THR CB C 36 69.743 71.066 -1.323 1
1 353 . 1 1 1 A 36 36 THR C C 36 175.483 174.875 0.608 1
1 354 . 1 1 1 A 37 37 GLY N N 37 110.845 115.696 -4.851 1
1 355 . 1 1 1 A 37 37 GLY H H 37 8.289 8.453 -0.164 1
1 356 . 1 1 1 A 37 37 GLY CA C 37 45.151 46.501 -1.350 1
1 357 . 1 1 1 A 37 37 GLY HA2 H 37 3.988 3.899 0.089 1
1 358 . 1 1 1 A 37 37 GLY HA3 H 37 3.945 3.905 0.040 1
1 359 . 1 1 1 A 37 37 GLY C C 37 174.025 174.248 -0.223 1
1 360 . 1 1 1 A 38 38 GLU N N 38 120.598 123.957 -3.359 1
1 361 . 1 1 1 A 38 38 GLU H H 38 8.039 8.033 0.006 1
1 362 . 1 1 1 A 38 38 GLU CA C 38 56.442 55.909 0.533 1
1 363 . 1 1 1 A 38 38 GLU HA H 38 4.220 4.416 -0.196 1
1 364 . 1 1 1 A 38 38 GLU CB C 38 30.525 30.722 -0.197 1
1 370 . 1 1 1 A 38 38 GLU C C 38 176.246 176.569 -0.323 1
1 371 . 1 1 1 A 39 39 LYS N N 39 123.884 123.026 0.858 1
1 372 . 1 1 1 A 39 39 LYS H H 39 8.420 8.404 0.016 1
1 373 . 1 1 1 A 39 39 LYS CA C 39 54.071 55.574 -1.503 1
1 374 . 1 1 1 A 39 39 LYS HA H 39 4.590 4.261 0.329 1
1 375 . 1 1 1 A 39 39 LYS CB C 39 32.486 32.615 -0.129 1
1 387 . 1 1 1 A 39 39 LYS C C 39 174.070 176.136 -2.066 1
1 388 . 1 1 1 A 40 40 PRO CA C 40 63.186 62.649 0.537 1
1 389 . 1 1 1 A 40 40 PRO HA H 40 4.436 4.802 -0.366 1
1 390 . 1 1 1 A 40 40 PRO CB C 40 32.163 32.647 -0.484 1
1 399 . 1 1 1 A 41 41 SER N N 41 116.479 112.832 3.647 1
1 400 . 1 1 1 A 41 41 SER H H 41 8.459 8.657 -0.198 1
1 401 . 1 1 1 A 41 41 SER CA C 41 58.355 56.440 1.915 1
1 402 . 1 1 1 A 41 41 SER HA H 41 4.461 5.056 -0.595 1
1 403 . 1 1 1 A 41 41 SER CB C 41 63.936 66.125 -2.189 1
1 406 . 1 1 1 A 42 42 GLY N N 42 110.647 108.255 2.392 1
1 407 . 1 1 1 A 42 42 GLY H H 42 8.218 8.434 -0.216 1
1 408 . 1 1 1 A 42 42 GLY CA C 42 44.626 44.543 0.083 1
1 409 . 1 1 1 A 42 42 GLY HA2 H 42 4.134 4.135 -0.001 1
1 410 . 1 1 1 A 42 42 GLY HA3 H 42 4.086 4.148 -0.062 1
1 411 . 1 1 1 A 43 43 PRO CA C 43 63.176 62.612 0.564 1
1 412 . 1 1 1 A 43 43 PRO HA H 43 4.434 4.760 -0.326 1
1 413 . 1 1 1 A 43 43 PRO CB C 43 32.113 31.905 0.208 1
1 422 . 1 1 1 A 44 44 SER N N 44 116.453 117.636 -1.183 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.784 62.153 -0.369 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.319 4.402 -0.083 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.847 69.901 -0.054 1
1 9 . 2 1 1 A 8 8 THR C C 8 175.419 174.640 0.779 1
1 10 . 2 1 1 A 9 9 GLY N N 9 110.845 114.088 -3.243 1
1 11 . 2 1 1 A 9 9 GLY H H 9 8.420 8.425 -0.005 1
1 12 . 2 1 1 A 9 9 GLY CA C 9 45.170 44.618 0.552 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.904 4.002 -0.098 1
1 14 . 2 1 1 A 9 9 GLY HA3 H 9 3.904 4.006 -0.102 1
1 15 . 2 1 1 A 9 9 GLY C C 9 174.056 173.016 1.040 1
1 16 . 2 1 1 A 10 10 GLU N N 10 120.245 119.788 0.457 1
1 17 . 2 1 1 A 10 10 GLU H H 10 8.182 8.462 -0.280 1
1 18 . 2 1 1 A 10 10 GLU CA C 10 56.868 54.936 1.932 1
1 19 . 2 1 1 A 10 10 GLU HA H 10 4.130 4.695 -0.565 1
1 20 . 2 1 1 A 10 10 GLU CB C 10 30.270 32.285 -2.015 1
1 26 . 2 1 1 A 10 10 GLU C C 10 176.191 176.797 -0.606 1
1 27 . 2 1 1 A 11 11 LYS N N 11 121.318 120.983 0.335 1
1 28 . 2 1 1 A 11 11 LYS H H 11 8.244 8.423 -0.179 1
1 29 . 2 1 1 A 11 11 LYS CA C 11 53.800 55.319 -1.519 1
1 30 . 2 1 1 A 11 11 LYS HA H 11 4.483 4.251 0.232 1
1 31 . 2 1 1 A 11 11 LYS CB C 11 32.900 31.923 0.977 1
1 43 . 2 1 1 A 11 11 LYS C C 11 174.450 176.484 -2.034 1
1 44 . 2 1 1 A 12 12 PRO CA C 12 63.627 64.010 -0.383 1
1 45 . 2 1 1 A 12 12 PRO HA H 12 4.275 4.266 0.009 1
1 46 . 2 1 1 A 12 12 PRO CB C 12 32.265 31.221 1.044 1
1 55 . 2 1 1 A 12 12 PRO C C 12 176.363 175.673 0.690 1
1 56 . 2 1 1 A 13 13 TYR N N 13 118.698 118.432 0.266 1
1 57 . 2 1 1 A 13 13 TYR H H 13 7.867 7.511 0.356 1
1 58 . 2 1 1 A 13 13 TYR CA C 13 57.667 56.617 1.050 1
1 59 . 2 1 1 A 13 13 TYR HA H 13 4.544 5.193 -0.649 1
1 60 . 2 1 1 A 13 13 TYR CB C 13 38.526 40.434 -1.908 1
1 71 . 2 1 1 A 13 13 TYR C C 13 174.411 174.146 0.265 1
1 72 . 2 1 1 A 14 14 LYS N N 14 124.941 125.505 -0.564 1
1 73 . 2 1 1 A 14 14 LYS H H 14 8.654 9.086 -0.432 1
1 74 . 2 1 1 A 14 14 LYS CA C 14 54.893 54.415 0.478 1
1 75 . 2 1 1 A 14 14 LYS HA H 14 4.963 5.539 -0.576 1
1 76 . 2 1 1 A 14 14 LYS CB C 14 35.303 35.936 -0.633 1
1 88 . 2 1 1 A 14 14 LYS C C 14 175.030 175.083 -0.053 1
1 89 . 2 1 1 A 15 15 CYS N N 15 126.764 124.403 2.361 1
1 90 . 2 1 1 A 15 15 CYS H H 15 9.018 9.431 -0.413 1
1 91 . 2 1 1 A 15 15 CYS CA C 15 59.556 59.858 -0.302 1
1 92 . 2 1 1 A 15 15 CYS HA H 15 4.477 4.483 -0.006 1
1 93 . 2 1 1 A 15 15 CYS CB C 15 29.711 28.765 0.946 1
1 96 . 2 1 1 A 15 15 CYS C C 15 176.438 175.365 1.073 1
1 97 . 2 1 1 A 16 16 ASP N N 16 130.452 125.087 5.365 1
1 98 . 2 1 1 A 16 16 ASP H H 16 9.146 9.138 0.008 1
1 99 . 2 1 1 A 16 16 ASP CA C 16 56.059 54.294 1.765 1
1 100 . 2 1 1 A 16 16 ASP HA H 16 4.418 4.873 -0.455 1
1 101 . 2 1 1 A 16 16 ASP CB C 16 40.594 41.383 -0.789 1
1 104 . 2 1 1 A 16 16 ASP C C 16 175.426 176.395 -0.969 1
1 105 . 2 1 1 A 17 17 VAL N N 17 120.987 119.074 1.913 1
1 106 . 2 1 1 A 17 17 VAL H H 17 8.652 8.201 0.451 1
1 107 . 2 1 1 A 17 17 VAL CA C 17 64.823 63.110 1.713 1
1 108 . 2 1 1 A 17 17 VAL HA H 17 3.696 4.443 -0.747 1
1 109 . 2 1 1 A 17 17 VAL CB C 17 33.002 34.373 -1.371 1
1 119 . 2 1 1 A 17 17 VAL C C 17 176.458 176.774 -0.316 1
1 120 . 2 1 1 A 18 18 CYS N N 18 115.671 118.599 -2.928 1
1 121 . 2 1 1 A 18 18 CYS H H 18 7.886 8.079 -0.193 1
1 122 . 2 1 1 A 18 18 CYS CA C 18 57.837 58.281 -0.444 1
1 123 . 2 1 1 A 18 18 CYS HA H 18 4.894 4.562 0.332 1
1 124 . 2 1 1 A 18 18 CYS CB C 18 31.838 29.714 2.124 1
1 127 . 2 1 1 A 18 18 CYS C C 18 175.672 174.923 0.749 1
1 128 . 2 1 1 A 19 19 HIS N N 19 116.359 115.194 1.165 1
1 129 . 2 1 1 A 19 19 HIS H H 19 7.660 8.353 -0.693 1
1 130 . 2 1 1 A 19 19 HIS CA C 19 57.841 56.892 0.949 1
1 131 . 2 1 1 A 19 19 HIS HA H 19 4.496 4.247 0.249 1
1 132 . 2 1 1 A 19 19 HIS CB C 19 27.348 26.651 0.697 1
1 139 . 2 1 1 A 19 19 HIS C C 19 174.238 174.194 0.044 1
1 140 . 2 1 1 A 20 20 LYS N N 20 122.372 118.846 3.526 1
1 141 . 2 1 1 A 20 20 LYS H H 20 7.838 7.885 -0.047 1
1 142 . 2 1 1 A 20 20 LYS CA C 20 57.897 55.233 2.664 1
1 143 . 2 1 1 A 20 20 LYS HA H 20 4.131 4.220 -0.089 1
1 144 . 2 1 1 A 20 20 LYS CB C 20 34.042 32.681 1.361 1
1 156 . 2 1 1 A 20 20 LYS C C 20 174.512 175.854 -1.342 1
1 157 . 2 1 1 A 21 21 SER N N 21 115.643 120.737 -5.094 1
1 158 . 2 1 1 A 21 21 SER H H 21 7.862 8.411 -0.549 1
1 159 . 2 1 1 A 21 21 SER CA C 21 56.970 58.109 -1.139 1
1 160 . 2 1 1 A 21 21 SER HA H 21 5.289 4.415 0.874 1
1 161 . 2 1 1 A 21 21 SER CB C 21 66.008 64.206 1.802 1
1 164 . 2 1 1 A 21 21 SER C C 21 173.011 174.143 -1.132 1
1 165 . 2 1 1 A 22 22 PHE N N 22 117.902 119.340 -1.438 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.876 8.997 -0.121 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.348 56.379 0.969 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.673 5.054 -0.381 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 43.619 41.062 2.557 1
1 182 . 2 1 1 A 22 22 PHE C C 22 174.751 175.941 -1.190 1
1 183 . 2 1 1 A 23 23 ARG CA C 23 58.414 58.934 -0.520 1
1 184 . 2 1 1 A 23 23 ARG HA H 23 4.207 3.997 0.210 1
1 185 . 2 1 1 A 23 23 ARG CB C 23 31.078 30.467 0.611 1
1 194 . 2 1 1 A 23 23 ARG C C 23 175.172 175.339 -0.167 1
1 195 . 2 1 1 A 24 24 TYR N N 24 112.481 117.469 -4.988 1
1 196 . 2 1 1 A 24 24 TYR H H 24 7.392 8.295 -0.903 1
1 197 . 2 1 1 A 24 24 TYR CA C 24 55.424 56.527 -1.103 1
1 198 . 2 1 1 A 24 24 TYR HA H 24 4.990 5.046 -0.056 1
1 199 . 2 1 1 A 24 24 TYR CB C 24 41.056 40.815 0.241 1
1 210 . 2 1 1 A 24 24 TYR C C 24 176.547 176.386 0.161 1
1 211 . 2 1 1 A 25 25 GLY N N 25 113.229 111.816 1.413 1
1 212 . 2 1 1 A 25 25 GLY H H 25 8.444 8.230 0.214 1
1 213 . 2 1 1 A 25 25 GLY CA C 25 46.807 46.637 0.170 1
1 214 . 2 1 1 A 25 25 GLY HA2 H 25 3.339 2.740 0.599 1
1 215 . 2 1 1 A 25 25 GLY HA3 H 25 2.763 2.943 -0.180 1
1 216 . 2 1 1 A 25 25 GLY C C 25 176.648 175.900 0.748 1
1 217 . 2 1 1 A 26 26 SER CA C 26 60.443 61.493 -1.050 1
1 218 . 2 1 1 A 26 26 SER HA H 26 4.070 4.041 0.029 1
1 219 . 2 1 1 A 26 26 SER CB C 26 61.509 62.316 -0.807 1
1 222 . 2 1 1 A 27 27 SER N N 27 117.119 116.542 0.577 1
1 223 . 2 1 1 A 27 27 SER H H 27 6.975 7.967 -0.992 1
1 224 . 2 1 1 A 27 27 SER CA C 27 60.612 62.329 -1.717 1
1 225 . 2 1 1 A 27 27 SER HA H 27 4.193 4.062 0.131 1
1 226 . 2 1 1 A 27 27 SER CB C 27 62.516 63.217 -0.701 1
1 229 . 2 1 1 A 28 28 LEU N N 28 123.770 122.532 1.238 1
1 230 . 2 1 1 A 28 28 LEU H H 28 7.044 7.360 -0.316 1
1 231 . 2 1 1 A 28 28 LEU CA C 28 57.811 57.729 0.082 1
1 232 . 2 1 1 A 28 28 LEU HA H 28 3.243 2.331 0.912 1
1 233 . 2 1 1 A 28 28 LEU CB C 28 40.095 41.711 -1.616 1
1 246 . 2 1 1 A 28 28 LEU C C 28 177.169 178.267 -1.098 1
1 247 . 2 1 1 A 29 29 THR N N 29 116.170 113.449 2.721 1
1 248 . 2 1 1 A 29 29 THR H H 29 8.074 7.401 0.673 1
1 249 . 2 1 1 A 29 29 THR CA C 29 66.661 66.619 0.042 1
1 250 . 2 1 1 A 29 29 THR HA H 29 3.920 3.850 0.070 1
1 251 . 2 1 1 A 29 29 THR CB C 29 68.519 68.401 0.118 1
1 257 . 2 1 1 A 29 29 THR C C 29 176.819 176.696 0.123 1
1 258 . 2 1 1 A 30 30 VAL N N 30 119.670 120.981 -1.311 1
1 259 . 2 1 1 A 30 30 VAL H H 30 7.348 7.943 -0.595 1
1 260 . 2 1 1 A 30 30 VAL CA C 30 66.447 65.903 0.544 1
1 261 . 2 1 1 A 30 30 VAL HA H 30 3.514 3.721 -0.207 1
1 262 . 2 1 1 A 30 30 VAL CB C 30 32.129 31.598 0.531 1
1 272 . 2 1 1 A 30 30 VAL C C 30 178.591 178.333 0.258 1
1 273 . 2 1 1 A 31 31 HIS N N 31 120.141 120.889 -0.748 1
1 274 . 2 1 1 A 31 31 HIS H H 31 7.568 7.965 -0.397 1
1 275 . 2 1 1 A 31 31 HIS CA C 31 59.358 58.901 0.457 1
1 276 . 2 1 1 A 31 31 HIS HA H 31 4.126 4.214 -0.088 1
1 277 . 2 1 1 A 31 31 HIS CB C 31 28.376 30.037 -1.661 1
1 284 . 2 1 1 A 31 31 HIS C C 31 176.177 177.280 -1.103 1
1 285 . 2 1 1 A 32 32 GLN N N 32 114.511 118.441 -3.930 1
1 286 . 2 1 1 A 32 32 GLN H H 32 8.405 8.372 0.033 1
1 287 . 2 1 1 A 32 32 GLN CA C 32 59.401 58.292 1.109 1
1 288 . 2 1 1 A 32 32 GLN HA H 32 3.641 4.013 -0.372 1
1 289 . 2 1 1 A 32 32 GLN CB C 32 28.353 28.281 0.072 1
1 298 . 2 1 1 A 32 32 GLN C C 32 177.404 178.811 -1.407 1
1 299 . 2 1 1 A 33 33 ARG N N 33 117.508 119.376 -1.868 1
1 300 . 2 1 1 A 33 33 ARG H H 33 7.166 7.659 -0.493 1
1 301 . 2 1 1 A 33 33 ARG CA C 33 58.468 58.794 -0.326 1
1 302 . 2 1 1 A 33 33 ARG HA H 33 4.118 4.022 0.096 1
1 303 . 2 1 1 A 33 33 ARG CB C 33 30.021 29.897 0.124 1
1 312 . 2 1 1 A 33 33 ARG C C 33 178.686 178.912 -0.226 1
1 313 . 2 1 1 A 34 34 ILE N N 34 115.983 116.928 -0.945 1
1 314 . 2 1 1 A 34 34 ILE H H 34 7.823 7.204 0.619 1
1 315 . 2 1 1 A 34 34 ILE CA C 34 63.142 63.713 -0.571 1
1 316 . 2 1 1 A 34 34 ILE HA H 34 3.945 3.815 0.130 1
1 317 . 2 1 1 A 34 34 ILE CB C 34 37.712 36.941 0.771 1
1 330 . 2 1 1 A 34 34 ILE C C 34 177.354 176.971 0.383 1
1 331 . 2 1 1 A 35 35 HIS N N 35 117.112 119.521 -2.409 1
1 332 . 2 1 1 A 35 35 HIS H H 35 7.179 7.943 -0.764 1
1 333 . 2 1 1 A 35 35 HIS CA C 35 54.859 57.660 -2.801 1
1 334 . 2 1 1 A 35 35 HIS HA H 35 4.905 4.516 0.389 1
1 335 . 2 1 1 A 35 35 HIS CB C 35 28.376 30.567 -2.191 1
1 342 . 2 1 1 A 35 35 HIS C C 35 175.680 175.558 0.122 1
1 343 . 2 1 1 A 36 36 THR N N 36 112.051 113.824 -1.773 1
1 344 . 2 1 1 A 36 36 THR H H 36 7.737 7.504 0.233 1
1 345 . 2 1 1 A 36 36 THR CA C 36 62.670 59.751 2.919 1
1 346 . 2 1 1 A 36 36 THR HA H 36 4.312 4.753 -0.441 1
1 347 . 2 1 1 A 36 36 THR CB C 36 69.743 71.297 -1.554 1
1 353 . 2 1 1 A 36 36 THR C C 36 175.483 173.156 2.327 1
1 354 . 2 1 1 A 37 37 GLY N N 37 110.845 114.047 -3.202 1
1 355 . 2 1 1 A 37 37 GLY H H 37 8.289 8.265 0.024 1
1 356 . 2 1 1 A 37 37 GLY CA C 37 45.151 45.952 -0.801 1
1 357 . 2 1 1 A 37 37 GLY HA2 H 37 3.988 4.142 -0.154 1
1 358 . 2 1 1 A 37 37 GLY HA3 H 37 3.945 4.146 -0.201 1
1 359 . 2 1 1 A 37 37 GLY C C 37 174.025 172.062 1.963 1
1 360 . 2 1 1 A 38 38 GLU N N 38 120.598 124.396 -3.798 1
1 361 . 2 1 1 A 38 38 GLU H H 38 8.039 9.003 -0.964 1
1 362 . 2 1 1 A 38 38 GLU CA C 38 56.442 54.965 1.477 1
1 363 . 2 1 1 A 38 38 GLU HA H 38 4.220 4.878 -0.658 1
1 364 . 2 1 1 A 38 38 GLU CB C 38 30.525 33.249 -2.724 1
1 370 . 2 1 1 A 38 38 GLU C C 38 176.246 175.525 0.721 1
1 371 . 2 1 1 A 39 39 LYS N N 39 123.884 124.781 -0.897 1
1 372 . 2 1 1 A 39 39 LYS H H 39 8.420 8.549 -0.129 1
1 373 . 2 1 1 A 39 39 LYS CA C 39 54.071 53.889 0.182 1
1 374 . 2 1 1 A 39 39 LYS HA H 39 4.590 4.588 0.002 1
1 375 . 2 1 1 A 39 39 LYS CB C 39 32.486 32.238 0.248 1
1 387 . 2 1 1 A 39 39 LYS C C 39 174.070 175.212 -1.142 1
1 388 . 2 1 1 A 40 40 PRO CA C 40 63.186 62.521 0.665 1
1 389 . 2 1 1 A 40 40 PRO HA H 40 4.436 4.735 -0.299 1
1 390 . 2 1 1 A 40 40 PRO CB C 40 32.163 29.627 2.536 1
1 399 . 2 1 1 A 41 41 SER N N 41 116.479 113.729 2.750 1
1 400 . 2 1 1 A 41 41 SER H H 41 8.459 8.348 0.111 1
1 401 . 2 1 1 A 41 41 SER CA C 41 58.355 57.514 0.841 1
1 402 . 2 1 1 A 41 41 SER HA H 41 4.461 5.054 -0.593 1
1 403 . 2 1 1 A 41 41 SER CB C 41 63.936 66.070 -2.134 1
1 406 . 2 1 1 A 42 42 GLY N N 42 110.647 108.373 2.274 1
1 407 . 2 1 1 A 42 42 GLY H H 42 8.218 8.364 -0.146 1
1 408 . 2 1 1 A 42 42 GLY CA C 42 44.626 45.152 -0.526 1
1 409 . 2 1 1 A 42 42 GLY HA2 H 42 4.134 4.188 -0.054 1
1 410 . 2 1 1 A 42 42 GLY HA3 H 42 4.086 4.188 -0.102 1
1 411 . 2 1 1 A 43 43 PRO CA C 43 63.176 62.707 0.469 1
1 412 . 2 1 1 A 43 43 PRO HA H 43 4.434 4.642 -0.208 1
1 413 . 2 1 1 A 43 43 PRO CB C 43 32.113 32.422 -0.309 1
1 422 . 2 1 1 A 44 44 SER N N 44 116.453 119.113 -2.660 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.784 61.008 0.776 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.319 4.676 -0.357 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.847 68.496 1.351 1
1 9 . 3 1 1 A 8 8 THR C C 8 175.419 174.053 1.366 1
1 10 . 3 1 1 A 9 9 GLY N N 9 110.845 111.637 -0.792 1
1 11 . 3 1 1 A 9 9 GLY H H 9 8.420 7.823 0.597 1
1 12 . 3 1 1 A 9 9 GLY CA C 9 45.170 45.947 -0.777 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.904 4.132 -0.228 1
1 14 . 3 1 1 A 9 9 GLY HA3 H 9 3.904 4.133 -0.229 1
1 15 . 3 1 1 A 9 9 GLY C C 9 174.056 171.880 2.176 1
1 16 . 3 1 1 A 10 10 GLU N N 10 120.245 124.357 -4.112 1
1 17 . 3 1 1 A 10 10 GLU H H 10 8.182 8.926 -0.744 1
1 18 . 3 1 1 A 10 10 GLU CA C 10 56.868 54.691 2.177 1
1 19 . 3 1 1 A 10 10 GLU HA H 10 4.130 4.937 -0.807 1
1 20 . 3 1 1 A 10 10 GLU CB C 10 30.270 34.051 -3.781 1
1 26 . 3 1 1 A 10 10 GLU C C 10 176.191 175.208 0.983 1
1 27 . 3 1 1 A 11 11 LYS N N 11 121.318 123.037 -1.719 1
1 28 . 3 1 1 A 11 11 LYS H H 11 8.244 8.802 -0.558 1
1 29 . 3 1 1 A 11 11 LYS CA C 11 53.800 53.276 0.524 1
1 30 . 3 1 1 A 11 11 LYS HA H 11 4.483 4.710 -0.227 1
1 31 . 3 1 1 A 11 11 LYS CB C 11 32.900 32.484 0.416 1
1 43 . 3 1 1 A 11 11 LYS C C 11 174.450 176.348 -1.898 1
1 44 . 3 1 1 A 12 12 PRO CA C 12 63.627 63.915 -0.288 1
1 45 . 3 1 1 A 12 12 PRO HA H 12 4.275 4.279 -0.004 1
1 46 . 3 1 1 A 12 12 PRO CB C 12 32.265 31.220 1.045 1
1 55 . 3 1 1 A 12 12 PRO C C 12 176.363 175.681 0.682 1
1 56 . 3 1 1 A 13 13 TYR N N 13 118.698 118.440 0.258 1
1 57 . 3 1 1 A 13 13 TYR H H 13 7.867 7.554 0.313 1
1 58 . 3 1 1 A 13 13 TYR CA C 13 57.667 56.615 1.052 1
1 59 . 3 1 1 A 13 13 TYR HA H 13 4.544 5.192 -0.648 1
1 60 . 3 1 1 A 13 13 TYR CB C 13 38.526 40.356 -1.830 1
1 71 . 3 1 1 A 13 13 TYR C C 13 174.411 174.098 0.313 1
1 72 . 3 1 1 A 14 14 LYS N N 14 124.941 125.546 -0.605 1
1 73 . 3 1 1 A 14 14 LYS H H 14 8.654 9.101 -0.447 1
1 74 . 3 1 1 A 14 14 LYS CA C 14 54.893 54.424 0.469 1
1 75 . 3 1 1 A 14 14 LYS HA H 14 4.963 5.494 -0.531 1
1 76 . 3 1 1 A 14 14 LYS CB C 14 35.303 36.167 -0.864 1
1 88 . 3 1 1 A 14 14 LYS C C 14 175.030 175.149 -0.119 1
1 89 . 3 1 1 A 15 15 CYS N N 15 126.764 124.393 2.371 1
1 90 . 3 1 1 A 15 15 CYS H H 15 9.018 9.437 -0.419 1
1 91 . 3 1 1 A 15 15 CYS CA C 15 59.556 59.939 -0.383 1
1 92 . 3 1 1 A 15 15 CYS HA H 15 4.477 4.462 0.015 1
1 93 . 3 1 1 A 15 15 CYS CB C 15 29.711 28.528 1.183 1
1 96 . 3 1 1 A 15 15 CYS C C 15 176.438 175.424 1.014 1
1 97 . 3 1 1 A 16 16 ASP N N 16 130.452 125.682 4.770 1
1 98 . 3 1 1 A 16 16 ASP H H 16 9.146 9.146 0.000 1
1 99 . 3 1 1 A 16 16 ASP CA C 16 56.059 54.347 1.712 1
1 100 . 3 1 1 A 16 16 ASP HA H 16 4.418 4.780 -0.362 1
1 101 . 3 1 1 A 16 16 ASP CB C 16 40.594 41.187 -0.593 1
1 104 . 3 1 1 A 16 16 ASP C C 16 175.426 176.377 -0.951 1
1 105 . 3 1 1 A 17 17 VAL N N 17 120.987 119.137 1.850 1
1 106 . 3 1 1 A 17 17 VAL H H 17 8.652 8.170 0.482 1
1 107 . 3 1 1 A 17 17 VAL CA C 17 64.823 63.217 1.606 1
1 108 . 3 1 1 A 17 17 VAL HA H 17 3.696 4.449 -0.753 1
1 109 . 3 1 1 A 17 17 VAL CB C 17 33.002 34.398 -1.396 1
1 119 . 3 1 1 A 17 17 VAL C C 17 176.458 176.981 -0.523 1
1 120 . 3 1 1 A 18 18 CYS N N 18 115.671 118.489 -2.818 1
1 121 . 3 1 1 A 18 18 CYS H H 18 7.886 8.101 -0.215 1
1 122 . 3 1 1 A 18 18 CYS CA C 18 57.837 58.272 -0.435 1
1 123 . 3 1 1 A 18 18 CYS HA H 18 4.894 4.610 0.284 1
1 124 . 3 1 1 A 18 18 CYS CB C 18 31.838 29.799 2.039 1
1 127 . 3 1 1 A 18 18 CYS C C 18 175.672 175.044 0.628 1
1 128 . 3 1 1 A 19 19 HIS N N 19 116.359 115.217 1.142 1
1 129 . 3 1 1 A 19 19 HIS H H 19 7.660 8.323 -0.663 1
1 130 . 3 1 1 A 19 19 HIS CA C 19 57.841 57.010 0.831 1
1 131 . 3 1 1 A 19 19 HIS HA H 19 4.496 4.328 0.168 1
1 132 . 3 1 1 A 19 19 HIS CB C 19 27.348 26.642 0.706 1
1 139 . 3 1 1 A 19 19 HIS C C 19 174.238 174.215 0.023 1
1 140 . 3 1 1 A 20 20 LYS N N 20 122.372 119.134 3.238 1
1 141 . 3 1 1 A 20 20 LYS H H 20 7.838 7.994 -0.156 1
1 142 . 3 1 1 A 20 20 LYS CA C 20 57.897 55.299 2.598 1
1 143 . 3 1 1 A 20 20 LYS HA H 20 4.131 4.187 -0.056 1
1 144 . 3 1 1 A 20 20 LYS CB C 20 34.042 32.509 1.533 1
1 156 . 3 1 1 A 20 20 LYS C C 20 174.512 175.779 -1.267 1
1 157 . 3 1 1 A 21 21 SER N N 21 115.643 120.984 -5.341 1
1 158 . 3 1 1 A 21 21 SER H H 21 7.862 8.416 -0.554 1
1 159 . 3 1 1 A 21 21 SER CA C 21 56.970 58.186 -1.216 1
1 160 . 3 1 1 A 21 21 SER HA H 21 5.289 4.455 0.834 1
1 161 . 3 1 1 A 21 21 SER CB C 21 66.008 64.166 1.842 1
1 164 . 3 1 1 A 21 21 SER C C 21 173.011 174.140 -1.129 1
1 165 . 3 1 1 A 22 22 PHE N N 22 117.902 119.274 -1.372 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.876 9.031 -0.155 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.348 56.230 1.118 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.673 5.048 -0.375 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 43.619 41.643 1.976 1
1 182 . 3 1 1 A 22 22 PHE C C 22 174.751 175.858 -1.107 1
1 183 . 3 1 1 A 23 23 ARG CA C 23 58.414 58.848 -0.434 1
1 184 . 3 1 1 A 23 23 ARG HA H 23 4.207 4.181 0.026 1
1 185 . 3 1 1 A 23 23 ARG CB C 23 31.078 30.609 0.469 1
1 194 . 3 1 1 A 23 23 ARG C C 23 175.172 175.449 -0.277 1
1 195 . 3 1 1 A 24 24 TYR N N 24 112.481 117.633 -5.152 1
1 196 . 3 1 1 A 24 24 TYR H H 24 7.392 8.254 -0.862 1
1 197 . 3 1 1 A 24 24 TYR CA C 24 55.424 56.567 -1.143 1
1 198 . 3 1 1 A 24 24 TYR HA H 24 4.990 4.972 0.018 1
1 199 . 3 1 1 A 24 24 TYR CB C 24 41.056 40.784 0.272 1
1 210 . 3 1 1 A 24 24 TYR C C 24 176.547 176.310 0.237 1
1 211 . 3 1 1 A 25 25 GLY N N 25 113.229 112.152 1.077 1
1 212 . 3 1 1 A 25 25 GLY H H 25 8.444 8.318 0.126 1
1 213 . 3 1 1 A 25 25 GLY CA C 25 46.807 46.718 0.089 1
1 214 . 3 1 1 A 25 25 GLY HA2 H 25 3.339 2.789 0.550 1
1 215 . 3 1 1 A 25 25 GLY HA3 H 25 2.763 2.839 -0.076 1
1 216 . 3 1 1 A 25 25 GLY C C 25 176.648 175.820 0.828 1
1 217 . 3 1 1 A 26 26 SER CA C 26 60.443 62.670 -2.227 1
1 218 . 3 1 1 A 26 26 SER HA H 26 4.070 4.194 -0.124 1
1 219 . 3 1 1 A 26 26 SER CB C 26 61.509 62.652 -1.143 1
1 222 . 3 1 1 A 27 27 SER N N 27 117.119 117.859 -0.740 1
1 223 . 3 1 1 A 27 27 SER H H 27 6.975 8.007 -1.032 1
1 224 . 3 1 1 A 27 27 SER CA C 27 60.612 62.188 -1.576 1
1 225 . 3 1 1 A 27 27 SER HA H 27 4.193 4.016 0.177 1
1 226 . 3 1 1 A 27 27 SER CB C 27 62.516 63.047 -0.531 1
1 229 . 3 1 1 A 28 28 LEU N N 28 123.770 122.330 1.440 1
1 230 . 3 1 1 A 28 28 LEU H H 28 7.044 7.430 -0.386 1
1 231 . 3 1 1 A 28 28 LEU CA C 28 57.811 57.724 0.087 1
1 232 . 3 1 1 A 28 28 LEU HA H 28 3.243 2.317 0.926 1
1 233 . 3 1 1 A 28 28 LEU CB C 28 40.095 41.715 -1.620 1
1 246 . 3 1 1 A 28 28 LEU C C 28 177.169 178.410 -1.241 1
1 247 . 3 1 1 A 29 29 THR N N 29 116.170 113.623 2.547 1
1 248 . 3 1 1 A 29 29 THR H H 29 8.074 7.352 0.722 1
1 249 . 3 1 1 A 29 29 THR CA C 29 66.661 66.616 0.045 1
1 250 . 3 1 1 A 29 29 THR HA H 29 3.920 3.850 0.070 1
1 251 . 3 1 1 A 29 29 THR CB C 29 68.519 68.563 -0.044 1
1 257 . 3 1 1 A 29 29 THR C C 29 176.819 176.681 0.138 1
1 258 . 3 1 1 A 30 30 VAL N N 30 119.670 120.981 -1.311 1
1 259 . 3 1 1 A 30 30 VAL H H 30 7.348 8.037 -0.689 1
1 260 . 3 1 1 A 30 30 VAL CA C 30 66.447 65.876 0.571 1
1 261 . 3 1 1 A 30 30 VAL HA H 30 3.514 3.743 -0.229 1
1 262 . 3 1 1 A 30 30 VAL CB C 30 32.129 31.525 0.604 1
1 272 . 3 1 1 A 30 30 VAL C C 30 178.591 178.209 0.382 1
1 273 . 3 1 1 A 31 31 HIS N N 31 120.141 120.797 -0.656 1
1 274 . 3 1 1 A 31 31 HIS H H 31 7.568 7.955 -0.387 1
1 275 . 3 1 1 A 31 31 HIS CA C 31 59.358 58.678 0.680 1
1 276 . 3 1 1 A 31 31 HIS HA H 31 4.126 4.294 -0.168 1
1 277 . 3 1 1 A 31 31 HIS CB C 31 28.376 30.009 -1.633 1
1 284 . 3 1 1 A 31 31 HIS C C 31 176.177 177.283 -1.106 1
1 285 . 3 1 1 A 32 32 GLN N N 32 114.511 118.429 -3.918 1
1 286 . 3 1 1 A 32 32 GLN H H 32 8.405 8.332 0.073 1
1 287 . 3 1 1 A 32 32 GLN CA C 32 59.401 58.297 1.104 1
1 288 . 3 1 1 A 32 32 GLN HA H 32 3.641 4.017 -0.376 1
1 289 . 3 1 1 A 32 32 GLN CB C 32 28.353 28.282 0.071 1
1 298 . 3 1 1 A 32 32 GLN C C 32 177.404 178.814 -1.410 1
1 299 . 3 1 1 A 33 33 ARG N N 33 117.508 119.449 -1.941 1
1 300 . 3 1 1 A 33 33 ARG H H 33 7.166 7.665 -0.499 1
1 301 . 3 1 1 A 33 33 ARG CA C 33 58.468 58.792 -0.324 1
1 302 . 3 1 1 A 33 33 ARG HA H 33 4.118 4.022 0.096 1
1 303 . 3 1 1 A 33 33 ARG CB C 33 30.021 29.880 0.141 1
1 312 . 3 1 1 A 33 33 ARG C C 33 178.686 178.918 -0.232 1
1 313 . 3 1 1 A 34 34 ILE N N 34 115.983 117.203 -1.220 1
1 314 . 3 1 1 A 34 34 ILE H H 34 7.823 7.223 0.600 1
1 315 . 3 1 1 A 34 34 ILE CA C 34 63.142 63.740 -0.598 1
1 316 . 3 1 1 A 34 34 ILE HA H 34 3.945 3.817 0.128 1
1 317 . 3 1 1 A 34 34 ILE CB C 34 37.712 36.932 0.780 1
1 330 . 3 1 1 A 34 34 ILE C C 34 177.354 177.087 0.267 1
1 331 . 3 1 1 A 35 35 HIS N N 35 117.112 119.500 -2.388 1
1 332 . 3 1 1 A 35 35 HIS H H 35 7.179 7.862 -0.683 1
1 333 . 3 1 1 A 35 35 HIS CA C 35 54.859 57.687 -2.828 1
1 334 . 3 1 1 A 35 35 HIS HA H 35 4.905 4.506 0.399 1
1 335 . 3 1 1 A 35 35 HIS CB C 35 28.376 30.798 -2.422 1
1 342 . 3 1 1 A 35 35 HIS C C 35 175.680 175.324 0.356 1
1 343 . 3 1 1 A 36 36 THR N N 36 112.051 114.322 -2.271 1
1 344 . 3 1 1 A 36 36 THR H H 36 7.737 7.726 0.011 1
1 345 . 3 1 1 A 36 36 THR CA C 36 62.670 59.899 2.771 1
1 346 . 3 1 1 A 36 36 THR HA H 36 4.312 4.609 -0.297 1
1 347 . 3 1 1 A 36 36 THR CB C 36 69.743 71.403 -1.660 1
1 353 . 3 1 1 A 36 36 THR C C 36 175.483 175.244 0.239 1
1 354 . 3 1 1 A 37 37 GLY N N 37 110.845 115.529 -4.684 1
1 355 . 3 1 1 A 37 37 GLY H H 37 8.289 8.699 -0.410 1
1 356 . 3 1 1 A 37 37 GLY CA C 37 45.151 45.337 -0.186 1
1 357 . 3 1 1 A 37 37 GLY HA2 H 37 3.988 4.032 -0.044 1
1 358 . 3 1 1 A 37 37 GLY HA3 H 37 3.945 4.037 -0.092 1
1 359 . 3 1 1 A 37 37 GLY C C 37 174.025 173.717 0.308 1
1 360 . 3 1 1 A 38 38 GLU N N 38 120.598 119.159 1.439 1
1 361 . 3 1 1 A 38 38 GLU H H 38 8.039 7.984 0.055 1
1 362 . 3 1 1 A 38 38 GLU CA C 38 56.442 54.384 2.058 1
1 363 . 3 1 1 A 38 38 GLU HA H 38 4.220 4.870 -0.650 1
1 364 . 3 1 1 A 38 38 GLU CB C 38 30.525 33.344 -2.819 1
1 370 . 3 1 1 A 38 38 GLU C C 38 176.246 175.493 0.753 1
1 371 . 3 1 1 A 39 39 LYS N N 39 123.884 122.483 1.401 1
1 372 . 3 1 1 A 39 39 LYS H H 39 8.420 8.411 0.009 1
1 373 . 3 1 1 A 39 39 LYS CA C 39 54.071 54.350 -0.279 1
1 374 . 3 1 1 A 39 39 LYS HA H 39 4.590 4.534 0.056 1
1 375 . 3 1 1 A 39 39 LYS CB C 39 32.486 32.257 0.229 1
1 387 . 3 1 1 A 39 39 LYS C C 39 174.070 175.037 -0.967 1
1 388 . 3 1 1 A 40 40 PRO CA C 40 63.186 62.691 0.495 1
1 389 . 3 1 1 A 40 40 PRO HA H 40 4.436 4.751 -0.315 1
1 390 . 3 1 1 A 40 40 PRO CB C 40 32.163 30.583 1.580 1
1 399 . 3 1 1 A 41 41 SER N N 41 116.479 118.703 -2.224 1
1 400 . 3 1 1 A 41 41 SER H H 41 8.459 8.217 0.242 1
1 401 . 3 1 1 A 41 41 SER CA C 41 58.355 57.612 0.743 1
1 402 . 3 1 1 A 41 41 SER HA H 41 4.461 4.934 -0.473 1
1 403 . 3 1 1 A 41 41 SER CB C 41 63.936 65.642 -1.706 1
1 406 . 3 1 1 A 42 42 GLY N N 42 110.647 110.229 0.418 1
1 407 . 3 1 1 A 42 42 GLY H H 42 8.218 8.406 -0.188 1
1 408 . 3 1 1 A 42 42 GLY CA C 42 44.626 45.147 -0.521 1
1 409 . 3 1 1 A 42 42 GLY HA2 H 42 4.134 4.312 -0.178 1
1 410 . 3 1 1 A 42 42 GLY HA3 H 42 4.086 4.312 -0.226 1
1 411 . 3 1 1 A 43 43 PRO CA C 43 63.176 62.825 0.351 1
1 412 . 3 1 1 A 43 43 PRO HA H 43 4.434 4.695 -0.261 1
1 413 . 3 1 1 A 43 43 PRO CB C 43 32.113 31.667 0.446 1
1 422 . 3 1 1 A 44 44 SER N N 44 116.453 120.607 -4.154 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.784 65.567 -3.783 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.319 3.953 0.366 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.847 69.407 0.440 1
1 9 . 4 1 1 A 8 8 THR C C 8 175.419 175.448 -0.029 1
1 10 . 4 1 1 A 9 9 GLY N N 9 110.845 107.945 2.900 1
1 11 . 4 1 1 A 9 9 GLY H H 9 8.420 7.805 0.615 1
1 12 . 4 1 1 A 9 9 GLY CA C 9 45.170 46.096 -0.926 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.904 3.937 -0.033 1
1 14 . 4 1 1 A 9 9 GLY HA3 H 9 3.904 3.947 -0.043 1
1 15 . 4 1 1 A 9 9 GLY C C 9 174.056 175.286 -1.230 1
1 16 . 4 1 1 A 10 10 GLU N N 10 120.245 122.384 -2.139 1
1 17 . 4 1 1 A 10 10 GLU H H 10 8.182 8.193 -0.011 1
1 18 . 4 1 1 A 10 10 GLU CA C 10 56.868 59.981 -3.113 1
1 19 . 4 1 1 A 10 10 GLU HA H 10 4.130 3.907 0.223 1
1 20 . 4 1 1 A 10 10 GLU CB C 10 30.270 29.741 0.529 1
1 26 . 4 1 1 A 10 10 GLU C C 10 176.191 177.015 -0.824 1
1 27 . 4 1 1 A 11 11 LYS N N 11 121.318 119.608 1.710 1
1 28 . 4 1 1 A 11 11 LYS H H 11 8.244 7.617 0.627 1
1 29 . 4 1 1 A 11 11 LYS CA C 11 53.800 55.130 -1.330 1
1 30 . 4 1 1 A 11 11 LYS HA H 11 4.483 4.381 0.102 1
1 31 . 4 1 1 A 11 11 LYS CB C 11 32.900 31.605 1.295 1
1 43 . 4 1 1 A 11 11 LYS C C 11 174.450 176.238 -1.788 1
1 44 . 4 1 1 A 12 12 PRO CA C 12 63.627 63.983 -0.356 1
1 45 . 4 1 1 A 12 12 PRO HA H 12 4.275 4.298 -0.023 1
1 46 . 4 1 1 A 12 12 PRO CB C 12 32.265 31.240 1.025 1
1 55 . 4 1 1 A 12 12 PRO C C 12 176.363 175.685 0.678 1
1 56 . 4 1 1 A 13 13 TYR N N 13 118.698 118.192 0.506 1
1 57 . 4 1 1 A 13 13 TYR H H 13 7.867 7.557 0.310 1
1 58 . 4 1 1 A 13 13 TYR CA C 13 57.667 56.522 1.145 1
1 59 . 4 1 1 A 13 13 TYR HA H 13 4.544 5.107 -0.563 1
1 60 . 4 1 1 A 13 13 TYR CB C 13 38.526 39.557 -1.031 1
1 71 . 4 1 1 A 13 13 TYR C C 13 174.411 174.099 0.312 1
1 72 . 4 1 1 A 14 14 LYS N N 14 124.941 125.546 -0.605 1
1 73 . 4 1 1 A 14 14 LYS H H 14 8.654 9.064 -0.410 1
1 74 . 4 1 1 A 14 14 LYS CA C 14 54.893 54.391 0.502 1
1 75 . 4 1 1 A 14 14 LYS HA H 14 4.963 5.517 -0.554 1
1 76 . 4 1 1 A 14 14 LYS CB C 14 35.303 36.252 -0.949 1
1 88 . 4 1 1 A 14 14 LYS C C 14 175.030 175.198 -0.168 1
1 89 . 4 1 1 A 15 15 CYS N N 15 126.764 124.175 2.589 1
1 90 . 4 1 1 A 15 15 CYS H H 15 9.018 9.425 -0.407 1
1 91 . 4 1 1 A 15 15 CYS CA C 15 59.556 59.786 -0.230 1
1 92 . 4 1 1 A 15 15 CYS HA H 15 4.477 4.522 -0.045 1
1 93 . 4 1 1 A 15 15 CYS CB C 15 29.711 28.878 0.833 1
1 96 . 4 1 1 A 15 15 CYS C C 15 176.438 175.446 0.992 1
1 97 . 4 1 1 A 16 16 ASP N N 16 130.452 125.019 5.433 1
1 98 . 4 1 1 A 16 16 ASP H H 16 9.146 8.913 0.233 1
1 99 . 4 1 1 A 16 16 ASP CA C 16 56.059 53.282 2.777 1
1 100 . 4 1 1 A 16 16 ASP HA H 16 4.418 5.002 -0.584 1
1 101 . 4 1 1 A 16 16 ASP CB C 16 40.594 41.385 -0.791 1
1 104 . 4 1 1 A 16 16 ASP C C 16 175.426 176.882 -1.456 1
1 105 . 4 1 1 A 17 17 VAL N N 17 120.987 118.145 2.842 1
1 106 . 4 1 1 A 17 17 VAL H H 17 8.652 8.099 0.553 1
1 107 . 4 1 1 A 17 17 VAL CA C 17 64.823 62.966 1.857 1
1 108 . 4 1 1 A 17 17 VAL HA H 17 3.696 4.338 -0.642 1
1 109 . 4 1 1 A 17 17 VAL CB C 17 33.002 34.288 -1.286 1
1 119 . 4 1 1 A 17 17 VAL C C 17 176.458 176.746 -0.288 1
1 120 . 4 1 1 A 18 18 CYS N N 18 115.671 118.373 -2.702 1
1 121 . 4 1 1 A 18 18 CYS H H 18 7.886 7.914 -0.028 1
1 122 . 4 1 1 A 18 18 CYS CA C 18 57.837 58.239 -0.402 1
1 123 . 4 1 1 A 18 18 CYS HA H 18 4.894 4.269 0.625 1
1 124 . 4 1 1 A 18 18 CYS CB C 18 31.838 29.848 1.990 1
1 127 . 4 1 1 A 18 18 CYS C C 18 175.672 175.094 0.578 1
1 128 . 4 1 1 A 19 19 HIS N N 19 116.359 115.299 1.060 1
1 129 . 4 1 1 A 19 19 HIS H H 19 7.660 8.106 -0.446 1
1 130 . 4 1 1 A 19 19 HIS CA C 19 57.841 57.217 0.624 1
1 131 . 4 1 1 A 19 19 HIS HA H 19 4.496 4.206 0.290 1
1 132 . 4 1 1 A 19 19 HIS CB C 19 27.348 26.682 0.666 1
1 139 . 4 1 1 A 19 19 HIS C C 19 174.238 174.112 0.126 1
1 140 . 4 1 1 A 20 20 LYS N N 20 122.372 119.045 3.327 1
1 141 . 4 1 1 A 20 20 LYS H H 20 7.838 7.833 0.005 1
1 142 . 4 1 1 A 20 20 LYS CA C 20 57.897 55.139 2.758 1
1 143 . 4 1 1 A 20 20 LYS HA H 20 4.131 4.215 -0.084 1
1 144 . 4 1 1 A 20 20 LYS CB C 20 34.042 32.713 1.329 1
1 156 . 4 1 1 A 20 20 LYS C C 20 174.512 175.559 -1.047 1
1 157 . 4 1 1 A 21 21 SER N N 21 115.643 120.988 -5.345 1
1 158 . 4 1 1 A 21 21 SER H H 21 7.862 8.392 -0.530 1
1 159 . 4 1 1 A 21 21 SER CA C 21 56.970 58.814 -1.844 1
1 160 . 4 1 1 A 21 21 SER HA H 21 5.289 4.547 0.742 1
1 161 . 4 1 1 A 21 21 SER CB C 21 66.008 63.939 2.069 1
1 164 . 4 1 1 A 21 21 SER C C 21 173.011 174.083 -1.072 1
1 165 . 4 1 1 A 22 22 PHE N N 22 117.902 121.315 -3.413 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.876 8.880 -0.004 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.348 56.242 1.106 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.673 4.916 -0.243 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 43.619 40.904 2.715 1
1 182 . 4 1 1 A 22 22 PHE C C 22 174.751 175.830 -1.079 1
1 183 . 4 1 1 A 23 23 ARG CA C 23 58.414 58.671 -0.257 1
1 184 . 4 1 1 A 23 23 ARG HA H 23 4.207 4.128 0.079 1
1 185 . 4 1 1 A 23 23 ARG CB C 23 31.078 30.212 0.866 1
1 194 . 4 1 1 A 23 23 ARG C C 23 175.172 175.113 0.059 1
1 195 . 4 1 1 A 24 24 TYR N N 24 112.481 117.999 -5.518 1
1 196 . 4 1 1 A 24 24 TYR H H 24 7.392 7.777 -0.385 1
1 197 . 4 1 1 A 24 24 TYR CA C 24 55.424 56.744 -1.320 1
1 198 . 4 1 1 A 24 24 TYR HA H 24 4.990 4.875 0.115 1
1 199 . 4 1 1 A 24 24 TYR CB C 24 41.056 40.012 1.044 1
1 210 . 4 1 1 A 24 24 TYR C C 24 176.547 176.490 0.057 1
1 211 . 4 1 1 A 25 25 GLY N N 25 113.229 112.104 1.125 1
1 212 . 4 1 1 A 25 25 GLY H H 25 8.444 8.498 -0.054 1
1 213 . 4 1 1 A 25 25 GLY CA C 25 46.807 46.939 -0.132 1
1 214 . 4 1 1 A 25 25 GLY HA2 H 25 3.339 2.835 0.504 1
1 215 . 4 1 1 A 25 25 GLY HA3 H 25 2.763 2.885 -0.122 1
1 216 . 4 1 1 A 25 25 GLY C C 25 176.648 175.608 1.040 1
1 217 . 4 1 1 A 26 26 SER CA C 26 60.443 61.245 -0.802 1
1 218 . 4 1 1 A 26 26 SER HA H 26 4.070 4.114 -0.044 1
1 219 . 4 1 1 A 26 26 SER CB C 26 61.509 62.634 -1.125 1
1 222 . 4 1 1 A 27 27 SER N N 27 117.119 117.530 -0.411 1
1 223 . 4 1 1 A 27 27 SER H H 27 6.975 8.015 -1.040 1
1 224 . 4 1 1 A 27 27 SER CA C 27 60.612 62.195 -1.583 1
1 225 . 4 1 1 A 27 27 SER HA H 27 4.193 4.043 0.150 1
1 226 . 4 1 1 A 27 27 SER CB C 27 62.516 62.947 -0.431 1
1 229 . 4 1 1 A 28 28 LEU N N 28 123.770 122.366 1.404 1
1 230 . 4 1 1 A 28 28 LEU H H 28 7.044 7.524 -0.480 1
1 231 . 4 1 1 A 28 28 LEU CA C 28 57.811 58.120 -0.309 1
1 232 . 4 1 1 A 28 28 LEU HA H 28 3.243 2.575 0.668 1
1 233 . 4 1 1 A 28 28 LEU CB C 28 40.095 41.763 -1.668 1
1 246 . 4 1 1 A 28 28 LEU C C 28 177.169 178.289 -1.120 1
1 247 . 4 1 1 A 29 29 THR N N 29 116.170 113.281 2.889 1
1 248 . 4 1 1 A 29 29 THR H H 29 8.074 7.373 0.701 1
1 249 . 4 1 1 A 29 29 THR CA C 29 66.661 66.575 0.086 1
1 250 . 4 1 1 A 29 29 THR HA H 29 3.920 3.828 0.092 1
1 251 . 4 1 1 A 29 29 THR CB C 29 68.519 68.323 0.196 1
1 257 . 4 1 1 A 29 29 THR C C 29 176.819 176.778 0.041 1
1 258 . 4 1 1 A 30 30 VAL N N 30 119.670 121.193 -1.523 1
1 259 . 4 1 1 A 30 30 VAL H H 30 7.348 8.009 -0.661 1
1 260 . 4 1 1 A 30 30 VAL CA C 30 66.447 66.150 0.297 1
1 261 . 4 1 1 A 30 30 VAL HA H 30 3.514 3.654 -0.140 1
1 262 . 4 1 1 A 30 30 VAL CB C 30 32.129 31.608 0.521 1
1 272 . 4 1 1 A 30 30 VAL C C 30 178.591 178.227 0.364 1
1 273 . 4 1 1 A 31 31 HIS N N 31 120.141 120.295 -0.154 1
1 274 . 4 1 1 A 31 31 HIS H H 31 7.568 8.052 -0.484 1
1 275 . 4 1 1 A 31 31 HIS CA C 31 59.358 59.083 0.275 1
1 276 . 4 1 1 A 31 31 HIS HA H 31 4.126 4.164 -0.038 1
1 277 . 4 1 1 A 31 31 HIS CB C 31 28.376 29.942 -1.566 1
1 284 . 4 1 1 A 31 31 HIS C C 31 176.177 177.259 -1.082 1
1 285 . 4 1 1 A 32 32 GLN N N 32 114.511 118.231 -3.720 1
1 286 . 4 1 1 A 32 32 GLN H H 32 8.405 8.502 -0.097 1
1 287 . 4 1 1 A 32 32 GLN CA C 32 59.401 58.580 0.821 1
1 288 . 4 1 1 A 32 32 GLN HA H 32 3.641 3.962 -0.321 1
1 289 . 4 1 1 A 32 32 GLN CB C 32 28.353 28.197 0.156 1
1 298 . 4 1 1 A 32 32 GLN C C 32 177.404 178.802 -1.398 1
1 299 . 4 1 1 A 33 33 ARG N N 33 117.508 119.359 -1.851 1
1 300 . 4 1 1 A 33 33 ARG H H 33 7.166 7.647 -0.481 1
1 301 . 4 1 1 A 33 33 ARG CA C 33 58.468 58.947 -0.479 1
1 302 . 4 1 1 A 33 33 ARG HA H 33 4.118 4.006 0.112 1
1 303 . 4 1 1 A 33 33 ARG CB C 33 30.021 29.886 0.135 1
1 312 . 4 1 1 A 33 33 ARG C C 33 178.686 178.891 -0.205 1
1 313 . 4 1 1 A 34 34 ILE N N 34 115.983 117.230 -1.247 1
1 314 . 4 1 1 A 34 34 ILE H H 34 7.823 7.239 0.584 1
1 315 . 4 1 1 A 34 34 ILE CA C 34 63.142 63.891 -0.749 1
1 316 . 4 1 1 A 34 34 ILE HA H 34 3.945 3.731 0.214 1
1 317 . 4 1 1 A 34 34 ILE CB C 34 37.712 36.873 0.839 1
1 330 . 4 1 1 A 34 34 ILE C C 34 177.354 177.139 0.215 1
1 331 . 4 1 1 A 35 35 HIS N N 35 117.112 119.355 -2.243 1
1 332 . 4 1 1 A 35 35 HIS H H 35 7.179 7.835 -0.656 1
1 333 . 4 1 1 A 35 35 HIS CA C 35 54.859 58.138 -3.279 1
1 334 . 4 1 1 A 35 35 HIS HA H 35 4.905 4.433 0.472 1
1 335 . 4 1 1 A 35 35 HIS CB C 35 28.376 30.912 -2.536 1
1 342 . 4 1 1 A 35 35 HIS C C 35 175.680 175.330 0.350 1
1 343 . 4 1 1 A 36 36 THR N N 36 112.051 113.992 -1.941 1
1 344 . 4 1 1 A 36 36 THR H H 36 7.737 7.355 0.382 1
1 345 . 4 1 1 A 36 36 THR CA C 36 62.670 59.864 2.806 1
1 346 . 4 1 1 A 36 36 THR HA H 36 4.312 4.672 -0.360 1
1 347 . 4 1 1 A 36 36 THR CB C 36 69.743 70.526 -0.783 1
1 353 . 4 1 1 A 36 36 THR C C 36 175.483 173.422 2.061 1
1 354 . 4 1 1 A 37 37 GLY N N 37 110.845 114.559 -3.714 1
1 355 . 4 1 1 A 37 37 GLY H H 37 8.289 8.397 -0.108 1
1 356 . 4 1 1 A 37 37 GLY CA C 37 45.151 46.182 -1.031 1
1 357 . 4 1 1 A 37 37 GLY HA2 H 37 3.988 4.232 -0.244 1
1 358 . 4 1 1 A 37 37 GLY HA3 H 37 3.945 4.236 -0.291 1
1 359 . 4 1 1 A 37 37 GLY C C 37 174.025 171.610 2.415 1
1 360 . 4 1 1 A 38 38 GLU N N 38 120.598 121.211 -0.613 1
1 361 . 4 1 1 A 38 38 GLU H H 38 8.039 8.411 -0.372 1
1 362 . 4 1 1 A 38 38 GLU CA C 38 56.442 54.514 1.928 1
1 363 . 4 1 1 A 38 38 GLU HA H 38 4.220 5.093 -0.873 1
1 364 . 4 1 1 A 38 38 GLU CB C 38 30.525 33.822 -3.297 1
1 370 . 4 1 1 A 38 38 GLU C C 38 176.246 175.608 0.638 1
1 371 . 4 1 1 A 39 39 LYS N N 39 123.884 121.971 1.913 1
1 372 . 4 1 1 A 39 39 LYS H H 39 8.420 8.461 -0.041 1
1 373 . 4 1 1 A 39 39 LYS CA C 39 54.071 54.795 -0.724 1
1 374 . 4 1 1 A 39 39 LYS HA H 39 4.590 4.451 0.139 1
1 375 . 4 1 1 A 39 39 LYS CB C 39 32.486 31.442 1.044 1
1 387 . 4 1 1 A 39 39 LYS C C 39 174.070 174.476 -0.406 1
1 388 . 4 1 1 A 40 40 PRO CA C 40 63.186 62.480 0.706 1
1 389 . 4 1 1 A 40 40 PRO HA H 40 4.436 4.482 -0.046 1
1 390 . 4 1 1 A 40 40 PRO CB C 40 32.163 32.172 -0.009 1
1 399 . 4 1 1 A 41 41 SER N N 41 116.479 114.294 2.185 1
1 400 . 4 1 1 A 41 41 SER H H 41 8.459 8.552 -0.093 1
1 401 . 4 1 1 A 41 41 SER CA C 41 58.355 57.450 0.905 1
1 402 . 4 1 1 A 41 41 SER HA H 41 4.461 4.486 -0.025 1
1 403 . 4 1 1 A 41 41 SER CB C 41 63.936 64.515 -0.579 1
1 406 . 4 1 1 A 42 42 GLY N N 42 110.647 107.018 3.629 1
1 407 . 4 1 1 A 42 42 GLY H H 42 8.218 8.453 -0.235 1
1 408 . 4 1 1 A 42 42 GLY CA C 42 44.626 44.522 0.104 1
1 409 . 4 1 1 A 42 42 GLY HA2 H 42 4.134 4.334 -0.200 1
1 410 . 4 1 1 A 42 42 GLY HA3 H 42 4.086 4.334 -0.248 1
1 411 . 4 1 1 A 43 43 PRO CA C 43 63.176 62.730 0.446 1
1 412 . 4 1 1 A 43 43 PRO HA H 43 4.434 4.598 -0.164 1
1 413 . 4 1 1 A 43 43 PRO CB C 43 32.113 32.729 -0.616 1
1 422 . 4 1 1 A 44 44 SER N N 44 116.453 115.208 1.245 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.784 60.922 0.862 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.319 4.588 -0.269 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.847 71.548 -1.701 1
1 9 . 5 1 1 A 8 8 THR C C 8 175.419 174.919 0.500 1
1 10 . 5 1 1 A 9 9 GLY N N 9 110.845 114.978 -4.133 1
1 11 . 5 1 1 A 9 9 GLY H H 9 8.420 8.799 -0.379 1
1 12 . 5 1 1 A 9 9 GLY CA C 9 45.170 46.958 -1.788 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.904 3.869 0.035 1
1 14 . 5 1 1 A 9 9 GLY HA3 H 9 3.904 3.870 0.034 1
1 15 . 5 1 1 A 9 9 GLY C C 9 174.056 174.279 -0.223 1
1 16 . 5 1 1 A 10 10 GLU N N 10 120.245 120.868 -0.623 1
1 17 . 5 1 1 A 10 10 GLU H H 10 8.182 7.997 0.185 1
1 18 . 5 1 1 A 10 10 GLU CA C 10 56.868 55.100 1.768 1
1 19 . 5 1 1 A 10 10 GLU HA H 10 4.130 4.642 -0.512 1
1 20 . 5 1 1 A 10 10 GLU CB C 10 30.270 30.756 -0.486 1
1 26 . 5 1 1 A 10 10 GLU C C 10 176.191 175.530 0.661 1
1 27 . 5 1 1 A 11 11 LYS N N 11 121.318 127.655 -6.337 1
1 28 . 5 1 1 A 11 11 LYS H H 11 8.244 8.629 -0.385 1
1 29 . 5 1 1 A 11 11 LYS CA C 11 53.800 54.423 -0.623 1
1 30 . 5 1 1 A 11 11 LYS HA H 11 4.483 4.322 0.161 1
1 31 . 5 1 1 A 11 11 LYS CB C 11 32.900 31.939 0.961 1
1 43 . 5 1 1 A 11 11 LYS C C 11 174.450 176.437 -1.987 1
1 44 . 5 1 1 A 12 12 PRO CA C 12 63.627 63.981 -0.354 1
1 45 . 5 1 1 A 12 12 PRO HA H 12 4.275 4.276 -0.001 1
1 46 . 5 1 1 A 12 12 PRO CB C 12 32.265 31.245 1.020 1
1 55 . 5 1 1 A 12 12 PRO C C 12 176.363 175.683 0.680 1
1 56 . 5 1 1 A 13 13 TYR N N 13 118.698 118.455 0.243 1
1 57 . 5 1 1 A 13 13 TYR H H 13 7.867 7.540 0.327 1
1 58 . 5 1 1 A 13 13 TYR CA C 13 57.667 56.616 1.051 1
1 59 . 5 1 1 A 13 13 TYR HA H 13 4.544 5.174 -0.630 1
1 60 . 5 1 1 A 13 13 TYR CB C 13 38.526 40.432 -1.906 1
1 71 . 5 1 1 A 13 13 TYR C C 13 174.411 174.083 0.328 1
1 72 . 5 1 1 A 14 14 LYS N N 14 124.941 125.477 -0.536 1
1 73 . 5 1 1 A 14 14 LYS H H 14 8.654 9.103 -0.449 1
1 74 . 5 1 1 A 14 14 LYS CA C 14 54.893 54.390 0.503 1
1 75 . 5 1 1 A 14 14 LYS HA H 14 4.963 5.444 -0.481 1
1 76 . 5 1 1 A 14 14 LYS CB C 14 35.303 35.855 -0.552 1
1 88 . 5 1 1 A 14 14 LYS C C 14 175.030 175.038 -0.008 1
1 89 . 5 1 1 A 15 15 CYS N N 15 126.764 124.417 2.347 1
1 90 . 5 1 1 A 15 15 CYS H H 15 9.018 9.305 -0.287 1
1 91 . 5 1 1 A 15 15 CYS CA C 15 59.556 59.721 -0.165 1
1 92 . 5 1 1 A 15 15 CYS HA H 15 4.477 4.487 -0.010 1
1 93 . 5 1 1 A 15 15 CYS CB C 15 29.711 28.961 0.750 1
1 96 . 5 1 1 A 15 15 CYS C C 15 176.438 175.172 1.266 1
1 97 . 5 1 1 A 16 16 ASP N N 16 130.452 124.740 5.712 1
1 98 . 5 1 1 A 16 16 ASP H H 16 9.146 9.128 0.018 1
1 99 . 5 1 1 A 16 16 ASP CA C 16 56.059 54.238 1.821 1
1 100 . 5 1 1 A 16 16 ASP HA H 16 4.418 4.812 -0.394 1
1 101 . 5 1 1 A 16 16 ASP CB C 16 40.594 41.385 -0.791 1
1 104 . 5 1 1 A 16 16 ASP C C 16 175.426 176.255 -0.829 1
1 105 . 5 1 1 A 17 17 VAL N N 17 120.987 119.060 1.927 1
1 106 . 5 1 1 A 17 17 VAL H H 17 8.652 8.178 0.474 1
1 107 . 5 1 1 A 17 17 VAL CA C 17 64.823 63.144 1.679 1
1 108 . 5 1 1 A 17 17 VAL HA H 17 3.696 4.444 -0.748 1
1 109 . 5 1 1 A 17 17 VAL CB C 17 33.002 34.357 -1.355 1
1 119 . 5 1 1 A 17 17 VAL C C 17 176.458 176.828 -0.370 1
1 120 . 5 1 1 A 18 18 CYS N N 18 115.671 118.441 -2.770 1
1 121 . 5 1 1 A 18 18 CYS H H 18 7.886 8.073 -0.187 1
1 122 . 5 1 1 A 18 18 CYS CA C 18 57.837 58.223 -0.386 1
1 123 . 5 1 1 A 18 18 CYS HA H 18 4.894 4.592 0.302 1
1 124 . 5 1 1 A 18 18 CYS CB C 18 31.838 29.699 2.139 1
1 127 . 5 1 1 A 18 18 CYS C C 18 175.672 174.944 0.728 1
1 128 . 5 1 1 A 19 19 HIS N N 19 116.359 115.191 1.168 1
1 129 . 5 1 1 A 19 19 HIS H H 19 7.660 8.313 -0.653 1
1 130 . 5 1 1 A 19 19 HIS CA C 19 57.841 56.749 1.092 1
1 131 . 5 1 1 A 19 19 HIS HA H 19 4.496 4.221 0.275 1
1 132 . 5 1 1 A 19 19 HIS CB C 19 27.348 26.645 0.703 1
1 139 . 5 1 1 A 19 19 HIS C C 19 174.238 174.187 0.051 1
1 140 . 5 1 1 A 20 20 LYS N N 20 122.372 118.834 3.538 1
1 141 . 5 1 1 A 20 20 LYS H H 20 7.838 7.866 -0.028 1
1 142 . 5 1 1 A 20 20 LYS CA C 20 57.897 55.193 2.704 1
1 143 . 5 1 1 A 20 20 LYS HA H 20 4.131 4.214 -0.083 1
1 144 . 5 1 1 A 20 20 LYS CB C 20 34.042 32.629 1.413 1
1 156 . 5 1 1 A 20 20 LYS C C 20 174.512 175.850 -1.338 1
1 157 . 5 1 1 A 21 21 SER N N 21 115.643 120.736 -5.093 1
1 158 . 5 1 1 A 21 21 SER H H 21 7.862 8.412 -0.550 1
1 159 . 5 1 1 A 21 21 SER CA C 21 56.970 58.222 -1.252 1
1 160 . 5 1 1 A 21 21 SER HA H 21 5.289 4.418 0.871 1
1 161 . 5 1 1 A 21 21 SER CB C 21 66.008 64.216 1.792 1
1 164 . 5 1 1 A 21 21 SER C C 21 173.011 174.147 -1.136 1
1 165 . 5 1 1 A 22 22 PHE N N 22 117.902 119.329 -1.427 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.876 8.962 -0.086 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.348 56.366 0.982 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.673 5.053 -0.380 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 43.619 41.057 2.562 1
1 182 . 5 1 1 A 22 22 PHE C C 22 174.751 175.937 -1.186 1
1 183 . 5 1 1 A 23 23 ARG CA C 23 58.414 59.117 -0.703 1
1 184 . 5 1 1 A 23 23 ARG HA H 23 4.207 4.042 0.165 1
1 185 . 5 1 1 A 23 23 ARG CB C 23 31.078 30.454 0.624 1
1 194 . 5 1 1 A 23 23 ARG C C 23 175.172 175.368 -0.196 1
1 195 . 5 1 1 A 24 24 TYR N N 24 112.481 117.324 -4.843 1
1 196 . 5 1 1 A 24 24 TYR H H 24 7.392 8.302 -0.910 1
1 197 . 5 1 1 A 24 24 TYR CA C 24 55.424 56.789 -1.365 1
1 198 . 5 1 1 A 24 24 TYR HA H 24 4.990 4.991 -0.001 1
1 199 . 5 1 1 A 24 24 TYR CB C 24 41.056 40.487 0.569 1
1 210 . 5 1 1 A 24 24 TYR C C 24 176.547 176.494 0.053 1
1 211 . 5 1 1 A 25 25 GLY N N 25 113.229 112.268 0.961 1
1 212 . 5 1 1 A 25 25 GLY H H 25 8.444 8.494 -0.050 1
1 213 . 5 1 1 A 25 25 GLY CA C 25 46.807 46.669 0.138 1
1 214 . 5 1 1 A 25 25 GLY HA2 H 25 3.339 2.743 0.596 1
1 215 . 5 1 1 A 25 25 GLY HA3 H 25 2.763 2.747 0.016 1
1 216 . 5 1 1 A 25 25 GLY C C 25 176.648 175.784 0.864 1
1 217 . 5 1 1 A 26 26 SER CA C 26 60.443 61.253 -0.810 1
1 218 . 5 1 1 A 26 26 SER HA H 26 4.070 4.076 -0.006 1
1 219 . 5 1 1 A 26 26 SER CB C 26 61.509 62.699 -1.190 1
1 222 . 5 1 1 A 27 27 SER N N 27 117.119 117.234 -0.115 1
1 223 . 5 1 1 A 27 27 SER H H 27 6.975 7.940 -0.965 1
1 224 . 5 1 1 A 27 27 SER CA C 27 60.612 62.230 -1.618 1
1 225 . 5 1 1 A 27 27 SER HA H 27 4.193 4.009 0.184 1
1 226 . 5 1 1 A 27 27 SER CB C 27 62.516 63.155 -0.639 1
1 229 . 5 1 1 A 28 28 LEU N N 28 123.770 122.501 1.269 1
1 230 . 5 1 1 A 28 28 LEU H H 28 7.044 7.371 -0.327 1
1 231 . 5 1 1 A 28 28 LEU CA C 28 57.811 57.783 0.028 1
1 232 . 5 1 1 A 28 28 LEU HA H 28 3.243 2.339 0.904 1
1 233 . 5 1 1 A 28 28 LEU CB C 28 40.095 41.794 -1.699 1
1 246 . 5 1 1 A 28 28 LEU C C 28 177.169 178.389 -1.220 1
1 247 . 5 1 1 A 29 29 THR N N 29 116.170 113.442 2.728 1
1 248 . 5 1 1 A 29 29 THR H H 29 8.074 7.367 0.707 1
1 249 . 5 1 1 A 29 29 THR CA C 29 66.661 66.607 0.054 1
1 250 . 5 1 1 A 29 29 THR HA H 29 3.920 3.836 0.084 1
1 251 . 5 1 1 A 29 29 THR CB C 29 68.519 68.557 -0.038 1
1 257 . 5 1 1 A 29 29 THR C C 29 176.819 176.543 0.276 1
1 258 . 5 1 1 A 30 30 VAL N N 30 119.670 120.961 -1.291 1
1 259 . 5 1 1 A 30 30 VAL H H 30 7.348 7.941 -0.593 1
1 260 . 5 1 1 A 30 30 VAL CA C 30 66.447 65.890 0.557 1
1 261 . 5 1 1 A 30 30 VAL HA H 30 3.514 3.659 -0.145 1
1 262 . 5 1 1 A 30 30 VAL CB C 30 32.129 31.604 0.525 1
1 272 . 5 1 1 A 30 30 VAL C C 30 178.591 178.331 0.260 1
1 273 . 5 1 1 A 31 31 HIS N N 31 120.141 120.456 -0.315 1
1 274 . 5 1 1 A 31 31 HIS H H 31 7.568 7.964 -0.396 1
1 275 . 5 1 1 A 31 31 HIS CA C 31 59.358 58.914 0.444 1
1 276 . 5 1 1 A 31 31 HIS HA H 31 4.126 4.209 -0.083 1
1 277 . 5 1 1 A 31 31 HIS CB C 31 28.376 30.124 -1.748 1
1 284 . 5 1 1 A 31 31 HIS C C 31 176.177 177.329 -1.152 1
1 285 . 5 1 1 A 32 32 GLN N N 32 114.511 118.332 -3.821 1
1 286 . 5 1 1 A 32 32 GLN H H 32 8.405 8.381 0.024 1
1 287 . 5 1 1 A 32 32 GLN CA C 32 59.401 58.612 0.789 1
1 288 . 5 1 1 A 32 32 GLN HA H 32 3.641 3.956 -0.315 1
1 289 . 5 1 1 A 32 32 GLN CB C 32 28.353 28.200 0.153 1
1 298 . 5 1 1 A 32 32 GLN C C 32 177.404 178.716 -1.312 1
1 299 . 5 1 1 A 33 33 ARG N N 33 117.508 119.094 -1.586 1
1 300 . 5 1 1 A 33 33 ARG H H 33 7.166 7.614 -0.448 1
1 301 . 5 1 1 A 33 33 ARG CA C 33 58.468 58.859 -0.391 1
1 302 . 5 1 1 A 33 33 ARG HA H 33 4.118 4.015 0.103 1
1 303 . 5 1 1 A 33 33 ARG CB C 33 30.021 30.132 -0.111 1
1 312 . 5 1 1 A 33 33 ARG C C 33 178.686 178.671 0.015 1
1 313 . 5 1 1 A 34 34 ILE N N 34 115.983 115.888 0.095 1
1 314 . 5 1 1 A 34 34 ILE H H 34 7.823 7.185 0.638 1
1 315 . 5 1 1 A 34 34 ILE CA C 34 63.142 64.062 -0.920 1
1 316 . 5 1 1 A 34 34 ILE HA H 34 3.945 3.792 0.153 1
1 317 . 5 1 1 A 34 34 ILE CB C 34 37.712 37.012 0.700 1
1 330 . 5 1 1 A 34 34 ILE C C 34 177.354 177.373 -0.019 1
1 331 . 5 1 1 A 35 35 HIS N N 35 117.112 119.562 -2.450 1
1 332 . 5 1 1 A 35 35 HIS H H 35 7.179 8.053 -0.874 1
1 333 . 5 1 1 A 35 35 HIS CA C 35 54.859 58.210 -3.351 1
1 334 . 5 1 1 A 35 35 HIS HA H 35 4.905 4.529 0.376 1
1 335 . 5 1 1 A 35 35 HIS CB C 35 28.376 30.380 -2.004 1
1 342 . 5 1 1 A 35 35 HIS C C 35 175.680 175.199 0.481 1
1 343 . 5 1 1 A 36 36 THR N N 36 112.051 113.699 -1.648 1
1 344 . 5 1 1 A 36 36 THR H H 36 7.737 7.529 0.208 1
1 345 . 5 1 1 A 36 36 THR CA C 36 62.670 60.937 1.733 1
1 346 . 5 1 1 A 36 36 THR HA H 36 4.312 4.535 -0.223 1
1 347 . 5 1 1 A 36 36 THR CB C 36 69.743 69.819 -0.076 1
1 353 . 5 1 1 A 36 36 THR C C 36 175.483 174.686 0.797 1
1 354 . 5 1 1 A 37 37 GLY N N 37 110.845 111.540 -0.695 1
1 355 . 5 1 1 A 37 37 GLY H H 37 8.289 8.089 0.200 1
1 356 . 5 1 1 A 37 37 GLY CA C 37 45.151 45.108 0.043 1
1 357 . 5 1 1 A 37 37 GLY HA2 H 37 3.988 4.018 -0.030 1
1 358 . 5 1 1 A 37 37 GLY HA3 H 37 3.945 4.028 -0.083 1
1 359 . 5 1 1 A 37 37 GLY C C 37 174.025 173.237 0.788 1
1 360 . 5 1 1 A 38 38 GLU N N 38 120.598 120.153 0.445 1
1 361 . 5 1 1 A 38 38 GLU H H 38 8.039 8.239 -0.200 1
1 362 . 5 1 1 A 38 38 GLU CA C 38 56.442 55.261 1.181 1
1 363 . 5 1 1 A 38 38 GLU HA H 38 4.220 5.002 -0.782 1
1 364 . 5 1 1 A 38 38 GLU CB C 38 30.525 31.365 -0.840 1
1 370 . 5 1 1 A 38 38 GLU C C 38 176.246 175.770 0.476 1
1 371 . 5 1 1 A 39 39 LYS N N 39 123.884 124.479 -0.595 1
1 372 . 5 1 1 A 39 39 LYS H H 39 8.420 8.584 -0.164 1
1 373 . 5 1 1 A 39 39 LYS CA C 39 54.071 53.060 1.011 1
1 374 . 5 1 1 A 39 39 LYS HA H 39 4.590 4.800 -0.210 1
1 375 . 5 1 1 A 39 39 LYS CB C 39 32.486 35.393 -2.907 1
1 387 . 5 1 1 A 39 39 LYS C C 39 174.070 176.236 -2.166 1
1 388 . 5 1 1 A 40 40 PRO CA C 40 63.186 63.869 -0.683 1
1 389 . 5 1 1 A 40 40 PRO HA H 40 4.436 4.491 -0.055 1
1 390 . 5 1 1 A 40 40 PRO CB C 40 32.163 31.413 0.750 1
1 399 . 5 1 1 A 41 41 SER N N 41 116.479 115.547 0.932 1
1 400 . 5 1 1 A 41 41 SER H H 41 8.459 7.831 0.628 1
1 401 . 5 1 1 A 41 41 SER CA C 41 58.355 57.605 0.750 1
1 402 . 5 1 1 A 41 41 SER HA H 41 4.461 4.935 -0.474 1
1 403 . 5 1 1 A 41 41 SER CB C 41 63.936 66.345 -2.409 1
1 406 . 5 1 1 A 42 42 GLY N N 42 110.647 108.937 1.710 1
1 407 . 5 1 1 A 42 42 GLY H H 42 8.218 8.669 -0.451 1
1 408 . 5 1 1 A 42 42 GLY CA C 42 44.626 43.953 0.673 1
1 409 . 5 1 1 A 42 42 GLY HA2 H 42 4.134 4.353 -0.219 1
1 410 . 5 1 1 A 42 42 GLY HA3 H 42 4.086 4.356 -0.270 1
1 411 . 5 1 1 A 43 43 PRO CA C 43 63.176 63.854 -0.678 1
1 412 . 5 1 1 A 43 43 PRO HA H 43 4.434 4.492 -0.058 1
1 413 . 5 1 1 A 43 43 PRO CB C 43 32.113 32.071 0.042 1
1 422 . 5 1 1 A 44 44 SER N N 44 116.453 115.430 1.023 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.784 63.310 -1.526 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.319 4.271 0.048 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.847 69.409 0.438 1
1 9 . 6 1 1 A 8 8 THR C C 8 175.419 175.261 0.158 1
1 10 . 6 1 1 A 9 9 GLY N N 9 110.845 114.730 -3.885 1
1 11 . 6 1 1 A 9 9 GLY H H 9 8.420 8.884 -0.464 1
1 12 . 6 1 1 A 9 9 GLY CA C 9 45.170 45.537 -0.367 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.904 3.968 -0.064 1
1 14 . 6 1 1 A 9 9 GLY HA3 H 9 3.904 3.974 -0.070 1
1 15 . 6 1 1 A 9 9 GLY C C 9 174.056 173.849 0.207 1
1 16 . 6 1 1 A 10 10 GLU N N 10 120.245 122.194 -1.949 1
1 17 . 6 1 1 A 10 10 GLU H H 10 8.182 8.530 -0.348 1
1 18 . 6 1 1 A 10 10 GLU CA C 10 56.868 55.602 1.266 1
1 19 . 6 1 1 A 10 10 GLU HA H 10 4.130 5.021 -0.891 1
1 20 . 6 1 1 A 10 10 GLU CB C 10 30.270 31.356 -1.086 1
1 26 . 6 1 1 A 10 10 GLU C C 10 176.191 175.557 0.634 1
1 27 . 6 1 1 A 11 11 LYS N N 11 121.318 122.886 -1.568 1
1 28 . 6 1 1 A 11 11 LYS H H 11 8.244 8.782 -0.538 1
1 29 . 6 1 1 A 11 11 LYS CA C 11 53.800 54.315 -0.515 1
1 30 . 6 1 1 A 11 11 LYS HA H 11 4.483 4.440 0.043 1
1 31 . 6 1 1 A 11 11 LYS CB C 11 32.900 32.351 0.549 1
1 43 . 6 1 1 A 11 11 LYS C C 11 174.450 176.421 -1.971 1
1 44 . 6 1 1 A 12 12 PRO CA C 12 63.627 63.913 -0.286 1
1 45 . 6 1 1 A 12 12 PRO HA H 12 4.275 4.275 0.000 1
1 46 . 6 1 1 A 12 12 PRO CB C 12 32.265 31.248 1.017 1
1 55 . 6 1 1 A 12 12 PRO C C 12 176.363 175.653 0.710 1
1 56 . 6 1 1 A 13 13 TYR N N 13 118.698 118.505 0.193 1
1 57 . 6 1 1 A 13 13 TYR H H 13 7.867 7.498 0.369 1
1 58 . 6 1 1 A 13 13 TYR CA C 13 57.667 56.615 1.052 1
1 59 . 6 1 1 A 13 13 TYR HA H 13 4.544 5.189 -0.645 1
1 60 . 6 1 1 A 13 13 TYR CB C 13 38.526 40.429 -1.903 1
1 71 . 6 1 1 A 13 13 TYR C C 13 174.411 174.129 0.282 1
1 72 . 6 1 1 A 14 14 LYS N N 14 124.941 125.253 -0.312 1
1 73 . 6 1 1 A 14 14 LYS H H 14 8.654 8.979 -0.325 1
1 74 . 6 1 1 A 14 14 LYS CA C 14 54.893 54.536 0.357 1
1 75 . 6 1 1 A 14 14 LYS HA H 14 4.963 5.486 -0.523 1
1 76 . 6 1 1 A 14 14 LYS CB C 14 35.303 36.179 -0.876 1
1 88 . 6 1 1 A 14 14 LYS C C 14 175.030 174.912 0.118 1
1 89 . 6 1 1 A 15 15 CYS N N 15 126.764 124.512 2.252 1
1 90 . 6 1 1 A 15 15 CYS H H 15 9.018 9.344 -0.326 1
1 91 . 6 1 1 A 15 15 CYS CA C 15 59.556 59.873 -0.317 1
1 92 . 6 1 1 A 15 15 CYS HA H 15 4.477 4.487 -0.010 1
1 93 . 6 1 1 A 15 15 CYS CB C 15 29.711 28.828 0.883 1
1 96 . 6 1 1 A 15 15 CYS C C 15 176.438 175.551 0.887 1
1 97 . 6 1 1 A 16 16 ASP N N 16 130.452 125.000 5.452 1
1 98 . 6 1 1 A 16 16 ASP H H 16 9.146 9.066 0.080 1
1 99 . 6 1 1 A 16 16 ASP CA C 16 56.059 53.397 2.662 1
1 100 . 6 1 1 A 16 16 ASP HA H 16 4.418 4.922 -0.504 1
1 101 . 6 1 1 A 16 16 ASP CB C 16 40.594 41.298 -0.704 1
1 104 . 6 1 1 A 16 16 ASP C C 16 175.426 176.918 -1.492 1
1 105 . 6 1 1 A 17 17 VAL N N 17 120.987 118.129 2.858 1
1 106 . 6 1 1 A 17 17 VAL H H 17 8.652 8.187 0.465 1
1 107 . 6 1 1 A 17 17 VAL CA C 17 64.823 62.795 2.028 1
1 108 . 6 1 1 A 17 17 VAL HA H 17 3.696 4.422 -0.726 1
1 109 . 6 1 1 A 17 17 VAL CB C 17 33.002 34.270 -1.268 1
1 119 . 6 1 1 A 17 17 VAL C C 17 176.458 176.766 -0.308 1
1 120 . 6 1 1 A 18 18 CYS N N 18 115.671 118.627 -2.956 1
1 121 . 6 1 1 A 18 18 CYS H H 18 7.886 8.088 -0.202 1
1 122 . 6 1 1 A 18 18 CYS CA C 18 57.837 58.433 -0.596 1
1 123 . 6 1 1 A 18 18 CYS HA H 18 4.894 4.626 0.268 1
1 124 . 6 1 1 A 18 18 CYS CB C 18 31.838 29.774 2.064 1
1 127 . 6 1 1 A 18 18 CYS C C 18 175.672 175.064 0.608 1
1 128 . 6 1 1 A 19 19 HIS N N 19 116.359 115.461 0.898 1
1 129 . 6 1 1 A 19 19 HIS H H 19 7.660 8.304 -0.644 1
1 130 . 6 1 1 A 19 19 HIS CA C 19 57.841 56.935 0.906 1
1 131 . 6 1 1 A 19 19 HIS HA H 19 4.496 4.291 0.205 1
1 132 . 6 1 1 A 19 19 HIS CB C 19 27.348 26.675 0.673 1
1 139 . 6 1 1 A 19 19 HIS C C 19 174.238 174.217 0.021 1
1 140 . 6 1 1 A 20 20 LYS N N 20 122.372 119.123 3.249 1
1 141 . 6 1 1 A 20 20 LYS H H 20 7.838 7.888 -0.050 1
1 142 . 6 1 1 A 20 20 LYS CA C 20 57.897 55.287 2.610 1
1 143 . 6 1 1 A 20 20 LYS HA H 20 4.131 4.203 -0.072 1
1 144 . 6 1 1 A 20 20 LYS CB C 20 34.042 32.421 1.621 1
1 156 . 6 1 1 A 20 20 LYS C C 20 174.512 175.863 -1.351 1
1 157 . 6 1 1 A 21 21 SER N N 21 115.643 120.817 -5.174 1
1 158 . 6 1 1 A 21 21 SER H H 21 7.862 8.396 -0.534 1
1 159 . 6 1 1 A 21 21 SER CA C 21 56.970 58.111 -1.141 1
1 160 . 6 1 1 A 21 21 SER HA H 21 5.289 4.387 0.902 1
1 161 . 6 1 1 A 21 21 SER CB C 21 66.008 64.282 1.726 1
1 164 . 6 1 1 A 21 21 SER C C 21 173.011 174.114 -1.103 1
1 165 . 6 1 1 A 22 22 PHE N N 22 117.902 119.409 -1.507 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.876 8.900 -0.024 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.348 56.365 0.983 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.673 5.047 -0.374 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 43.619 41.017 2.602 1
1 182 . 6 1 1 A 22 22 PHE C C 22 174.751 175.941 -1.190 1
1 183 . 6 1 1 A 23 23 ARG CA C 23 58.414 58.876 -0.462 1
1 184 . 6 1 1 A 23 23 ARG HA H 23 4.207 4.160 0.047 1
1 185 . 6 1 1 A 23 23 ARG CB C 23 31.078 30.585 0.493 1
1 194 . 6 1 1 A 23 23 ARG C C 23 175.172 175.508 -0.336 1
1 195 . 6 1 1 A 24 24 TYR N N 24 112.481 117.744 -5.263 1
1 196 . 6 1 1 A 24 24 TYR H H 24 7.392 8.258 -0.866 1
1 197 . 6 1 1 A 24 24 TYR CA C 24 55.424 56.745 -1.321 1
1 198 . 6 1 1 A 24 24 TYR HA H 24 4.990 5.015 -0.025 1
1 199 . 6 1 1 A 24 24 TYR CB C 24 41.056 40.996 0.060 1
1 210 . 6 1 1 A 24 24 TYR C C 24 176.547 176.261 0.286 1
1 211 . 6 1 1 A 25 25 GLY N N 25 113.229 112.265 0.964 1
1 212 . 6 1 1 A 25 25 GLY H H 25 8.444 8.455 -0.011 1
1 213 . 6 1 1 A 25 25 GLY CA C 25 46.807 46.748 0.059 1
1 214 . 6 1 1 A 25 25 GLY HA2 H 25 3.339 2.733 0.606 1
1 215 . 6 1 1 A 25 25 GLY HA3 H 25 2.763 2.820 -0.057 1
1 216 . 6 1 1 A 25 25 GLY C C 25 176.648 175.710 0.938 1
1 217 . 6 1 1 A 26 26 SER CA C 26 60.443 61.388 -0.945 1
1 218 . 6 1 1 A 26 26 SER HA H 26 4.070 4.033 0.037 1
1 219 . 6 1 1 A 26 26 SER CB C 26 61.509 62.823 -1.314 1
1 222 . 6 1 1 A 27 27 SER N N 27 117.119 117.458 -0.339 1
1 223 . 6 1 1 A 27 27 SER H H 27 6.975 8.031 -1.056 1
1 224 . 6 1 1 A 27 27 SER CA C 27 60.612 62.145 -1.533 1
1 225 . 6 1 1 A 27 27 SER HA H 27 4.193 4.009 0.184 1
1 226 . 6 1 1 A 27 27 SER CB C 27 62.516 62.900 -0.384 1
1 229 . 6 1 1 A 28 28 LEU N N 28 123.770 122.263 1.507 1
1 230 . 6 1 1 A 28 28 LEU H H 28 7.044 7.377 -0.333 1
1 231 . 6 1 1 A 28 28 LEU CA C 28 57.811 58.010 -0.199 1
1 232 . 6 1 1 A 28 28 LEU HA H 28 3.243 2.337 0.906 1
1 233 . 6 1 1 A 28 28 LEU CB C 28 40.095 41.687 -1.592 1
1 246 . 6 1 1 A 28 28 LEU C C 28 177.169 178.256 -1.087 1
1 247 . 6 1 1 A 29 29 THR N N 29 116.170 113.259 2.911 1
1 248 . 6 1 1 A 29 29 THR H H 29 8.074 7.413 0.661 1
1 249 . 6 1 1 A 29 29 THR CA C 29 66.661 66.620 0.041 1
1 250 . 6 1 1 A 29 29 THR HA H 29 3.920 3.841 0.079 1
1 251 . 6 1 1 A 29 29 THR CB C 29 68.519 68.340 0.179 1
1 257 . 6 1 1 A 29 29 THR C C 29 176.819 176.771 0.048 1
1 258 . 6 1 1 A 30 30 VAL N N 30 119.670 120.951 -1.281 1
1 259 . 6 1 1 A 30 30 VAL H H 30 7.348 8.152 -0.804 1
1 260 . 6 1 1 A 30 30 VAL CA C 30 66.447 66.025 0.422 1
1 261 . 6 1 1 A 30 30 VAL HA H 30 3.514 3.714 -0.200 1
1 262 . 6 1 1 A 30 30 VAL CB C 30 32.129 31.587 0.542 1
1 272 . 6 1 1 A 30 30 VAL C C 30 178.591 178.173 0.418 1
1 273 . 6 1 1 A 31 31 HIS N N 31 120.141 120.752 -0.611 1
1 274 . 6 1 1 A 31 31 HIS H H 31 7.568 8.013 -0.445 1
1 275 . 6 1 1 A 31 31 HIS CA C 31 59.358 58.865 0.493 1
1 276 . 6 1 1 A 31 31 HIS HA H 31 4.126 4.223 -0.097 1
1 277 . 6 1 1 A 31 31 HIS CB C 31 28.376 30.028 -1.652 1
1 284 . 6 1 1 A 31 31 HIS C C 31 176.177 177.289 -1.112 1
1 285 . 6 1 1 A 32 32 GLN N N 32 114.511 118.233 -3.722 1
1 286 . 6 1 1 A 32 32 GLN H H 32 8.405 8.476 -0.071 1
1 287 . 6 1 1 A 32 32 GLN CA C 32 59.401 58.608 0.793 1
1 288 . 6 1 1 A 32 32 GLN HA H 32 3.641 3.986 -0.345 1
1 289 . 6 1 1 A 32 32 GLN CB C 32 28.353 28.211 0.142 1
1 298 . 6 1 1 A 32 32 GLN C C 32 177.404 178.760 -1.356 1
1 299 . 6 1 1 A 33 33 ARG N N 33 117.508 119.307 -1.799 1
1 300 . 6 1 1 A 33 33 ARG H H 33 7.166 7.671 -0.505 1
1 301 . 6 1 1 A 33 33 ARG CA C 33 58.468 58.957 -0.489 1
1 302 . 6 1 1 A 33 33 ARG HA H 33 4.118 3.999 0.119 1
1 303 . 6 1 1 A 33 33 ARG CB C 33 30.021 29.888 0.133 1
1 312 . 6 1 1 A 33 33 ARG C C 33 178.686 178.903 -0.217 1
1 313 . 6 1 1 A 34 34 ILE N N 34 115.983 117.230 -1.247 1
1 314 . 6 1 1 A 34 34 ILE H H 34 7.823 7.297 0.526 1
1 315 . 6 1 1 A 34 34 ILE CA C 34 63.142 63.760 -0.618 1
1 316 . 6 1 1 A 34 34 ILE HA H 34 3.945 3.815 0.130 1
1 317 . 6 1 1 A 34 34 ILE CB C 34 37.712 36.927 0.785 1
1 330 . 6 1 1 A 34 34 ILE C C 34 177.354 177.033 0.321 1
1 331 . 6 1 1 A 35 35 HIS N N 35 117.112 119.503 -2.391 1
1 332 . 6 1 1 A 35 35 HIS H H 35 7.179 7.892 -0.713 1
1 333 . 6 1 1 A 35 35 HIS CA C 35 54.859 57.577 -2.718 1
1 334 . 6 1 1 A 35 35 HIS HA H 35 4.905 4.505 0.400 1
1 335 . 6 1 1 A 35 35 HIS CB C 35 28.376 30.318 -1.942 1
1 342 . 6 1 1 A 35 35 HIS C C 35 175.680 175.246 0.434 1
1 343 . 6 1 1 A 36 36 THR N N 36 112.051 113.418 -1.367 1
1 344 . 6 1 1 A 36 36 THR H H 36 7.737 7.596 0.141 1
1 345 . 6 1 1 A 36 36 THR CA C 36 62.670 59.594 3.076 1
1 346 . 6 1 1 A 36 36 THR HA H 36 4.312 4.718 -0.406 1
1 347 . 6 1 1 A 36 36 THR CB C 36 69.743 72.481 -2.738 1
1 353 . 6 1 1 A 36 36 THR C C 36 175.483 173.075 2.408 1
1 354 . 6 1 1 A 37 37 GLY N N 37 110.845 113.000 -2.155 1
1 355 . 6 1 1 A 37 37 GLY H H 37 8.289 8.229 0.060 1
1 356 . 6 1 1 A 37 37 GLY CA C 37 45.151 44.009 1.142 1
1 357 . 6 1 1 A 37 37 GLY HA2 H 37 3.988 4.124 -0.136 1
1 358 . 6 1 1 A 37 37 GLY HA3 H 37 3.945 4.128 -0.183 1
1 359 . 6 1 1 A 37 37 GLY C C 37 174.025 172.934 1.091 1
1 360 . 6 1 1 A 38 38 GLU N N 38 120.598 120.548 0.050 1
1 361 . 6 1 1 A 38 38 GLU H H 38 8.039 8.302 -0.263 1
1 362 . 6 1 1 A 38 38 GLU CA C 38 56.442 57.235 -0.793 1
1 363 . 6 1 1 A 38 38 GLU HA H 38 4.220 4.237 -0.017 1
1 364 . 6 1 1 A 38 38 GLU CB C 38 30.525 30.605 -0.080 1
1 370 . 6 1 1 A 38 38 GLU C C 38 176.246 176.041 0.205 1
1 371 . 6 1 1 A 39 39 LYS N N 39 123.884 125.988 -2.104 1
1 372 . 6 1 1 A 39 39 LYS H H 39 8.420 8.581 -0.161 1
1 373 . 6 1 1 A 39 39 LYS CA C 39 54.071 53.242 0.829 1
1 374 . 6 1 1 A 39 39 LYS HA H 39 4.590 4.762 -0.172 1
1 375 . 6 1 1 A 39 39 LYS CB C 39 32.486 33.310 -0.824 1
1 387 . 6 1 1 A 39 39 LYS C C 39 174.070 176.435 -2.365 1
1 388 . 6 1 1 A 40 40 PRO CA C 40 63.186 63.501 -0.315 1
1 389 . 6 1 1 A 40 40 PRO HA H 40 4.436 4.524 -0.088 1
1 390 . 6 1 1 A 40 40 PRO CB C 40 32.163 32.062 0.101 1
1 399 . 6 1 1 A 41 41 SER N N 41 116.479 114.411 2.068 1
1 400 . 6 1 1 A 41 41 SER H H 41 8.459 8.109 0.350 1
1 401 . 6 1 1 A 41 41 SER CA C 41 58.355 59.348 -0.993 1
1 402 . 6 1 1 A 41 41 SER HA H 41 4.461 4.081 0.380 1
1 403 . 6 1 1 A 41 41 SER CB C 41 63.936 61.806 2.130 1
1 406 . 6 1 1 A 42 42 GLY N N 42 110.647 106.526 4.121 1
1 407 . 6 1 1 A 42 42 GLY H H 42 8.218 7.901 0.317 1
1 408 . 6 1 1 A 42 42 GLY CA C 42 44.626 45.393 -0.767 1
1 409 . 6 1 1 A 42 42 GLY HA2 H 42 4.134 4.265 -0.131 1
1 410 . 6 1 1 A 42 42 GLY HA3 H 42 4.086 4.266 -0.180 1
1 411 . 6 1 1 A 43 43 PRO CA C 43 63.176 63.991 -0.815 1
1 412 . 6 1 1 A 43 43 PRO HA H 43 4.434 4.508 -0.074 1
1 413 . 6 1 1 A 43 43 PRO CB C 43 32.113 31.764 0.349 1
1 422 . 6 1 1 A 44 44 SER N N 44 116.453 115.984 0.469 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.784 59.269 2.515 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.319 5.242 -0.923 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.847 72.209 -2.362 1
1 9 . 7 1 1 A 8 8 THR C C 8 175.419 172.787 2.632 1
1 10 . 7 1 1 A 9 9 GLY N N 9 110.845 112.013 -1.168 1
1 11 . 7 1 1 A 9 9 GLY H H 9 8.420 8.422 -0.002 1
1 12 . 7 1 1 A 9 9 GLY CA C 9 45.170 45.630 -0.460 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.904 4.225 -0.321 1
1 14 . 7 1 1 A 9 9 GLY HA3 H 9 3.904 4.228 -0.324 1
1 15 . 7 1 1 A 9 9 GLY C C 9 174.056 172.173 1.883 1
1 16 . 7 1 1 A 10 10 GLU N N 10 120.245 120.004 0.241 1
1 17 . 7 1 1 A 10 10 GLU H H 10 8.182 9.143 -0.961 1
1 18 . 7 1 1 A 10 10 GLU CA C 10 56.868 54.459 2.409 1
1 19 . 7 1 1 A 10 10 GLU HA H 10 4.130 4.998 -0.868 1
1 20 . 7 1 1 A 10 10 GLU CB C 10 30.270 33.371 -3.101 1
1 26 . 7 1 1 A 10 10 GLU C C 10 176.191 175.081 1.110 1
1 27 . 7 1 1 A 11 11 LYS N N 11 121.318 120.623 0.695 1
1 28 . 7 1 1 A 11 11 LYS H H 11 8.244 8.554 -0.310 1
1 29 . 7 1 1 A 11 11 LYS CA C 11 53.800 54.454 -0.654 1
1 30 . 7 1 1 A 11 11 LYS HA H 11 4.483 4.488 -0.005 1
1 31 . 7 1 1 A 11 11 LYS CB C 11 32.900 32.024 0.876 1
1 43 . 7 1 1 A 11 11 LYS C C 11 174.450 176.492 -2.042 1
1 44 . 7 1 1 A 12 12 PRO CA C 12 63.627 63.977 -0.350 1
1 45 . 7 1 1 A 12 12 PRO HA H 12 4.275 4.282 -0.007 1
1 46 . 7 1 1 A 12 12 PRO CB C 12 32.265 31.221 1.044 1
1 55 . 7 1 1 A 12 12 PRO C C 12 176.363 175.673 0.690 1
1 56 . 7 1 1 A 13 13 TYR N N 13 118.698 118.469 0.229 1
1 57 . 7 1 1 A 13 13 TYR H H 13 7.867 7.573 0.294 1
1 58 . 7 1 1 A 13 13 TYR CA C 13 57.667 56.627 1.040 1
1 59 . 7 1 1 A 13 13 TYR HA H 13 4.544 5.205 -0.661 1
1 60 . 7 1 1 A 13 13 TYR CB C 13 38.526 40.225 -1.699 1
1 71 . 7 1 1 A 13 13 TYR C C 13 174.411 174.073 0.338 1
1 72 . 7 1 1 A 14 14 LYS N N 14 124.941 125.562 -0.621 1
1 73 . 7 1 1 A 14 14 LYS H H 14 8.654 9.128 -0.474 1
1 74 . 7 1 1 A 14 14 LYS CA C 14 54.893 54.418 0.475 1
1 75 . 7 1 1 A 14 14 LYS HA H 14 4.963 5.472 -0.509 1
1 76 . 7 1 1 A 14 14 LYS CB C 14 35.303 35.964 -0.661 1
1 88 . 7 1 1 A 14 14 LYS C C 14 175.030 175.138 -0.108 1
1 89 . 7 1 1 A 15 15 CYS N N 15 126.764 124.426 2.338 1
1 90 . 7 1 1 A 15 15 CYS H H 15 9.018 9.355 -0.337 1
1 91 . 7 1 1 A 15 15 CYS CA C 15 59.556 59.864 -0.308 1
1 92 . 7 1 1 A 15 15 CYS HA H 15 4.477 4.499 -0.022 1
1 93 . 7 1 1 A 15 15 CYS CB C 15 29.711 28.735 0.976 1
1 96 . 7 1 1 A 15 15 CYS C C 15 176.438 175.432 1.006 1
1 97 . 7 1 1 A 16 16 ASP N N 16 130.452 124.977 5.475 1
1 98 . 7 1 1 A 16 16 ASP H H 16 9.146 8.995 0.151 1
1 99 . 7 1 1 A 16 16 ASP CA C 16 56.059 53.288 2.771 1
1 100 . 7 1 1 A 16 16 ASP HA H 16 4.418 5.009 -0.591 1
1 101 . 7 1 1 A 16 16 ASP CB C 16 40.594 41.390 -0.796 1
1 104 . 7 1 1 A 16 16 ASP C C 16 175.426 176.898 -1.472 1
1 105 . 7 1 1 A 17 17 VAL N N 17 120.987 118.092 2.895 1
1 106 . 7 1 1 A 17 17 VAL H H 17 8.652 8.135 0.517 1
1 107 . 7 1 1 A 17 17 VAL CA C 17 64.823 63.020 1.803 1
1 108 . 7 1 1 A 17 17 VAL HA H 17 3.696 4.377 -0.681 1
1 109 . 7 1 1 A 17 17 VAL CB C 17 33.002 34.321 -1.319 1
1 119 . 7 1 1 A 17 17 VAL C C 17 176.458 176.724 -0.266 1
1 120 . 7 1 1 A 18 18 CYS N N 18 115.671 118.202 -2.531 1
1 121 . 7 1 1 A 18 18 CYS H H 18 7.886 7.939 -0.053 1
1 122 . 7 1 1 A 18 18 CYS CA C 18 57.837 58.082 -0.245 1
1 123 . 7 1 1 A 18 18 CYS HA H 18 4.894 4.283 0.611 1
1 124 . 7 1 1 A 18 18 CYS CB C 18 31.838 29.892 1.946 1
1 127 . 7 1 1 A 18 18 CYS C C 18 175.672 175.093 0.579 1
1 128 . 7 1 1 A 19 19 HIS N N 19 116.359 115.285 1.074 1
1 129 . 7 1 1 A 19 19 HIS H H 19 7.660 8.131 -0.471 1
1 130 . 7 1 1 A 19 19 HIS CA C 19 57.841 57.220 0.621 1
1 131 . 7 1 1 A 19 19 HIS HA H 19 4.496 4.251 0.245 1
1 132 . 7 1 1 A 19 19 HIS CB C 19 27.348 26.685 0.663 1
1 139 . 7 1 1 A 19 19 HIS C C 19 174.238 174.146 0.092 1
1 140 . 7 1 1 A 20 20 LYS N N 20 122.372 119.125 3.247 1
1 141 . 7 1 1 A 20 20 LYS H H 20 7.838 7.930 -0.092 1
1 142 . 7 1 1 A 20 20 LYS CA C 20 57.897 55.214 2.683 1
1 143 . 7 1 1 A 20 20 LYS HA H 20 4.131 4.258 -0.127 1
1 144 . 7 1 1 A 20 20 LYS CB C 20 34.042 32.374 1.668 1
1 156 . 7 1 1 A 20 20 LYS C C 20 174.512 175.864 -1.352 1
1 157 . 7 1 1 A 21 21 SER N N 21 115.643 120.548 -4.905 1
1 158 . 7 1 1 A 21 21 SER H H 21 7.862 8.393 -0.531 1
1 159 . 7 1 1 A 21 21 SER CA C 21 56.970 58.237 -1.267 1
1 160 . 7 1 1 A 21 21 SER HA H 21 5.289 4.438 0.851 1
1 161 . 7 1 1 A 21 21 SER CB C 21 66.008 64.180 1.828 1
1 164 . 7 1 1 A 21 21 SER C C 21 173.011 174.134 -1.123 1
1 165 . 7 1 1 A 22 22 PHE N N 22 117.902 119.301 -1.399 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.876 8.957 -0.081 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.348 56.359 0.989 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.673 5.079 -0.406 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 43.619 41.080 2.539 1
1 182 . 7 1 1 A 22 22 PHE C C 22 174.751 175.863 -1.112 1
1 183 . 7 1 1 A 23 23 ARG CA C 23 58.414 59.087 -0.673 1
1 184 . 7 1 1 A 23 23 ARG HA H 23 4.207 4.152 0.055 1
1 185 . 7 1 1 A 23 23 ARG CB C 23 31.078 30.691 0.387 1
1 194 . 7 1 1 A 23 23 ARG C C 23 175.172 175.469 -0.297 1
1 195 . 7 1 1 A 24 24 TYR N N 24 112.481 117.489 -5.008 1
1 196 . 7 1 1 A 24 24 TYR H H 24 7.392 8.304 -0.912 1
1 197 . 7 1 1 A 24 24 TYR CA C 24 55.424 56.714 -1.290 1
1 198 . 7 1 1 A 24 24 TYR HA H 24 4.990 4.959 0.031 1
1 199 . 7 1 1 A 24 24 TYR CB C 24 41.056 40.739 0.317 1
1 210 . 7 1 1 A 24 24 TYR C C 24 176.547 176.366 0.181 1
1 211 . 7 1 1 A 25 25 GLY N N 25 113.229 112.027 1.202 1
1 212 . 7 1 1 A 25 25 GLY H H 25 8.444 8.227 0.217 1
1 213 . 7 1 1 A 25 25 GLY CA C 25 46.807 46.664 0.143 1
1 214 . 7 1 1 A 25 25 GLY HA2 H 25 3.339 2.809 0.530 1
1 215 . 7 1 1 A 25 25 GLY HA3 H 25 2.763 2.818 -0.055 1
1 216 . 7 1 1 A 25 25 GLY C C 25 176.648 175.783 0.865 1
1 217 . 7 1 1 A 26 26 SER CA C 26 60.443 62.633 -2.190 1
1 218 . 7 1 1 A 26 26 SER HA H 26 4.070 4.189 -0.119 1
1 219 . 7 1 1 A 26 26 SER CB C 26 61.509 62.654 -1.145 1
1 222 . 7 1 1 A 27 27 SER N N 27 117.119 117.590 -0.471 1
1 223 . 7 1 1 A 27 27 SER H H 27 6.975 7.977 -1.002 1
1 224 . 7 1 1 A 27 27 SER CA C 27 60.612 62.269 -1.657 1
1 225 . 7 1 1 A 27 27 SER HA H 27 4.193 3.998 0.195 1
1 226 . 7 1 1 A 27 27 SER CB C 27 62.516 63.117 -0.601 1
1 229 . 7 1 1 A 28 28 LEU N N 28 123.770 122.280 1.490 1
1 230 . 7 1 1 A 28 28 LEU H H 28 7.044 7.370 -0.326 1
1 231 . 7 1 1 A 28 28 LEU CA C 28 57.811 57.741 0.070 1
1 232 . 7 1 1 A 28 28 LEU HA H 28 3.243 2.347 0.896 1
1 233 . 7 1 1 A 28 28 LEU CB C 28 40.095 41.726 -1.631 1
1 246 . 7 1 1 A 28 28 LEU C C 28 177.169 178.257 -1.088 1
1 247 . 7 1 1 A 29 29 THR N N 29 116.170 113.439 2.731 1
1 248 . 7 1 1 A 29 29 THR H H 29 8.074 7.381 0.693 1
1 249 . 7 1 1 A 29 29 THR CA C 29 66.661 66.621 0.040 1
1 250 . 7 1 1 A 29 29 THR HA H 29 3.920 3.847 0.073 1
1 251 . 7 1 1 A 29 29 THR CB C 29 68.519 68.348 0.171 1
1 257 . 7 1 1 A 29 29 THR C C 29 176.819 176.689 0.130 1
1 258 . 7 1 1 A 30 30 VAL N N 30 119.670 120.914 -1.244 1
1 259 . 7 1 1 A 30 30 VAL H H 30 7.348 7.961 -0.613 1
1 260 . 7 1 1 A 30 30 VAL CA C 30 66.447 66.142 0.305 1
1 261 . 7 1 1 A 30 30 VAL HA H 30 3.514 3.662 -0.148 1
1 262 . 7 1 1 A 30 30 VAL CB C 30 32.129 31.603 0.526 1
1 272 . 7 1 1 A 30 30 VAL C C 30 178.591 178.177 0.414 1
1 273 . 7 1 1 A 31 31 HIS N N 31 120.141 120.480 -0.339 1
1 274 . 7 1 1 A 31 31 HIS H H 31 7.568 7.947 -0.379 1
1 275 . 7 1 1 A 31 31 HIS CA C 31 59.358 59.067 0.291 1
1 276 . 7 1 1 A 31 31 HIS HA H 31 4.126 4.206 -0.080 1
1 277 . 7 1 1 A 31 31 HIS CB C 31 28.376 29.859 -1.483 1
1 284 . 7 1 1 A 31 31 HIS C C 31 176.177 177.366 -1.189 1
1 285 . 7 1 1 A 32 32 GLN N N 32 114.511 118.189 -3.678 1
1 286 . 7 1 1 A 32 32 GLN H H 32 8.405 8.381 0.024 1
1 287 . 7 1 1 A 32 32 GLN CA C 32 59.401 58.324 1.077 1
1 288 . 7 1 1 A 32 32 GLN HA H 32 3.641 4.001 -0.360 1
1 289 . 7 1 1 A 32 32 GLN CB C 32 28.353 28.275 0.078 1
1 298 . 7 1 1 A 32 32 GLN C C 32 177.404 178.811 -1.407 1
1 299 . 7 1 1 A 33 33 ARG N N 33 117.508 119.367 -1.859 1
1 300 . 7 1 1 A 33 33 ARG H H 33 7.166 7.668 -0.502 1
1 301 . 7 1 1 A 33 33 ARG CA C 33 58.468 58.833 -0.365 1
1 302 . 7 1 1 A 33 33 ARG HA H 33 4.118 3.986 0.132 1
1 303 . 7 1 1 A 33 33 ARG CB C 33 30.021 29.828 0.193 1
1 312 . 7 1 1 A 33 33 ARG C C 33 178.686 178.780 -0.094 1
1 313 . 7 1 1 A 34 34 ILE N N 34 115.983 117.158 -1.175 1
1 314 . 7 1 1 A 34 34 ILE H H 34 7.823 7.184 0.639 1
1 315 . 7 1 1 A 34 34 ILE CA C 34 63.142 63.864 -0.722 1
1 316 . 7 1 1 A 34 34 ILE HA H 34 3.945 3.813 0.132 1
1 317 . 7 1 1 A 34 34 ILE CB C 34 37.712 36.823 0.889 1
1 330 . 7 1 1 A 34 34 ILE C C 34 177.354 177.201 0.153 1
1 331 . 7 1 1 A 35 35 HIS N N 35 117.112 119.422 -2.310 1
1 332 . 7 1 1 A 35 35 HIS H H 35 7.179 7.855 -0.676 1
1 333 . 7 1 1 A 35 35 HIS CA C 35 54.859 57.856 -2.997 1
1 334 . 7 1 1 A 35 35 HIS HA H 35 4.905 4.439 0.466 1
1 335 . 7 1 1 A 35 35 HIS CB C 35 28.376 30.910 -2.534 1
1 342 . 7 1 1 A 35 35 HIS C C 35 175.680 175.358 0.322 1
1 343 . 7 1 1 A 36 36 THR N N 36 112.051 112.905 -0.854 1
1 344 . 7 1 1 A 36 36 THR H H 36 7.737 7.631 0.106 1
1 345 . 7 1 1 A 36 36 THR CA C 36 62.670 60.133 2.537 1
1 346 . 7 1 1 A 36 36 THR HA H 36 4.312 4.689 -0.377 1
1 347 . 7 1 1 A 36 36 THR CB C 36 69.743 72.358 -2.615 1
1 353 . 7 1 1 A 36 36 THR C C 36 175.483 175.113 0.370 1
1 354 . 7 1 1 A 37 37 GLY N N 37 110.845 116.249 -5.404 1
1 355 . 7 1 1 A 37 37 GLY H H 37 8.289 8.570 -0.281 1
1 356 . 7 1 1 A 37 37 GLY CA C 37 45.151 45.376 -0.225 1
1 357 . 7 1 1 A 37 37 GLY HA2 H 37 3.988 3.981 0.007 1
1 358 . 7 1 1 A 37 37 GLY HA3 H 37 3.945 3.986 -0.041 1
1 359 . 7 1 1 A 37 37 GLY C C 37 174.025 174.533 -0.508 1
1 360 . 7 1 1 A 38 38 GLU N N 38 120.598 121.059 -0.461 1
1 361 . 7 1 1 A 38 38 GLU H H 38 8.039 7.974 0.065 1
1 362 . 7 1 1 A 38 38 GLU CA C 38 56.442 57.159 -0.717 1
1 363 . 7 1 1 A 38 38 GLU HA H 38 4.220 4.276 -0.056 1
1 364 . 7 1 1 A 38 38 GLU CB C 38 30.525 30.797 -0.272 1
1 370 . 7 1 1 A 38 38 GLU C C 38 176.246 175.345 0.901 1
1 371 . 7 1 1 A 39 39 LYS N N 39 123.884 123.058 0.826 1
1 372 . 7 1 1 A 39 39 LYS H H 39 8.420 8.533 -0.113 1
1 373 . 7 1 1 A 39 39 LYS CA C 39 54.071 53.332 0.739 1
1 374 . 7 1 1 A 39 39 LYS HA H 39 4.590 4.680 -0.090 1
1 375 . 7 1 1 A 39 39 LYS CB C 39 32.486 33.381 -0.895 1
1 387 . 7 1 1 A 39 39 LYS C C 39 174.070 174.897 -0.827 1
1 388 . 7 1 1 A 40 40 PRO CA C 40 63.186 62.747 0.439 1
1 389 . 7 1 1 A 40 40 PRO HA H 40 4.436 4.687 -0.251 1
1 390 . 7 1 1 A 40 40 PRO CB C 40 32.163 31.983 0.180 1
1 399 . 7 1 1 A 41 41 SER N N 41 116.479 118.164 -1.685 1
1 400 . 7 1 1 A 41 41 SER H H 41 8.459 8.695 -0.236 1
1 401 . 7 1 1 A 41 41 SER CA C 41 58.355 61.733 -3.378 1
1 402 . 7 1 1 A 41 41 SER HA H 41 4.461 4.156 0.305 1
1 403 . 7 1 1 A 41 41 SER CB C 41 63.936 63.048 0.888 1
1 406 . 7 1 1 A 42 42 GLY N N 42 110.647 105.386 5.261 1
1 407 . 7 1 1 A 42 42 GLY H H 42 8.218 7.776 0.442 1
1 408 . 7 1 1 A 42 42 GLY CA C 42 44.626 44.162 0.464 1
1 409 . 7 1 1 A 42 42 GLY HA2 H 42 4.134 4.215 -0.081 1
1 410 . 7 1 1 A 42 42 GLY HA3 H 42 4.086 4.216 -0.130 1
1 411 . 7 1 1 A 43 43 PRO CA C 43 63.176 63.606 -0.430 1
1 412 . 7 1 1 A 43 43 PRO HA H 43 4.434 4.522 -0.088 1
1 413 . 7 1 1 A 43 43 PRO CB C 43 32.113 31.724 0.389 1
1 422 . 7 1 1 A 44 44 SER N N 44 116.453 116.372 0.081 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.784 59.313 2.471 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.319 5.232 -0.913 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.847 72.147 -2.300 1
1 9 . 8 1 1 A 8 8 THR C C 8 175.419 173.932 1.487 1
1 10 . 8 1 1 A 9 9 GLY N N 9 110.845 114.345 -3.500 1
1 11 . 8 1 1 A 9 9 GLY H H 9 8.420 8.493 -0.073 1
1 12 . 8 1 1 A 9 9 GLY CA C 9 45.170 44.665 0.505 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.904 4.172 -0.268 1
1 14 . 8 1 1 A 9 9 GLY HA3 H 9 3.904 4.181 -0.277 1
1 15 . 8 1 1 A 9 9 GLY C C 9 174.056 172.825 1.231 1
1 16 . 8 1 1 A 10 10 GLU N N 10 120.245 124.553 -4.308 1
1 17 . 8 1 1 A 10 10 GLU H H 10 8.182 8.513 -0.331 1
1 18 . 8 1 1 A 10 10 GLU CA C 10 56.868 54.909 1.959 1
1 19 . 8 1 1 A 10 10 GLU HA H 10 4.130 4.864 -0.734 1
1 20 . 8 1 1 A 10 10 GLU CB C 10 30.270 31.633 -1.363 1
1 26 . 8 1 1 A 10 10 GLU C C 10 176.191 175.984 0.207 1
1 27 . 8 1 1 A 11 11 LYS N N 11 121.318 127.051 -5.733 1
1 28 . 8 1 1 A 11 11 LYS H H 11 8.244 8.484 -0.240 1
1 29 . 8 1 1 A 11 11 LYS CA C 11 53.800 55.194 -1.394 1
1 30 . 8 1 1 A 11 11 LYS HA H 11 4.483 4.225 0.258 1
1 31 . 8 1 1 A 11 11 LYS CB C 11 32.900 32.326 0.574 1
1 43 . 8 1 1 A 11 11 LYS C C 11 174.450 176.653 -2.203 1
1 44 . 8 1 1 A 12 12 PRO CA C 12 63.627 63.915 -0.288 1
1 45 . 8 1 1 A 12 12 PRO HA H 12 4.275 4.281 -0.006 1
1 46 . 8 1 1 A 12 12 PRO CB C 12 32.265 31.047 1.218 1
1 55 . 8 1 1 A 12 12 PRO C C 12 176.363 175.593 0.770 1
1 56 . 8 1 1 A 13 13 TYR N N 13 118.698 118.702 -0.004 1
1 57 . 8 1 1 A 13 13 TYR H H 13 7.867 7.529 0.338 1
1 58 . 8 1 1 A 13 13 TYR CA C 13 57.667 56.483 1.184 1
1 59 . 8 1 1 A 13 13 TYR HA H 13 4.544 5.165 -0.621 1
1 60 . 8 1 1 A 13 13 TYR CB C 13 38.526 39.939 -1.413 1
1 71 . 8 1 1 A 13 13 TYR C C 13 174.411 174.036 0.375 1
1 72 . 8 1 1 A 14 14 LYS N N 14 124.941 125.401 -0.460 1
1 73 . 8 1 1 A 14 14 LYS H H 14 8.654 9.133 -0.479 1
1 74 . 8 1 1 A 14 14 LYS CA C 14 54.893 54.465 0.428 1
1 75 . 8 1 1 A 14 14 LYS HA H 14 4.963 5.554 -0.591 1
1 76 . 8 1 1 A 14 14 LYS CB C 14 35.303 35.906 -0.603 1
1 88 . 8 1 1 A 14 14 LYS C C 14 175.030 175.177 -0.147 1
1 89 . 8 1 1 A 15 15 CYS N N 15 126.764 124.616 2.148 1
1 90 . 8 1 1 A 15 15 CYS H H 15 9.018 9.354 -0.336 1
1 91 . 8 1 1 A 15 15 CYS CA C 15 59.556 59.929 -0.373 1
1 92 . 8 1 1 A 15 15 CYS HA H 15 4.477 4.480 -0.003 1
1 93 . 8 1 1 A 15 15 CYS CB C 15 29.711 28.554 1.157 1
1 96 . 8 1 1 A 15 15 CYS C C 15 176.438 175.381 1.057 1
1 97 . 8 1 1 A 16 16 ASP N N 16 130.452 124.970 5.482 1
1 98 . 8 1 1 A 16 16 ASP H H 16 9.146 9.190 -0.044 1
1 99 . 8 1 1 A 16 16 ASP CA C 16 56.059 54.345 1.714 1
1 100 . 8 1 1 A 16 16 ASP HA H 16 4.418 4.992 -0.574 1
1 101 . 8 1 1 A 16 16 ASP CB C 16 40.594 41.544 -0.950 1
1 104 . 8 1 1 A 16 16 ASP C C 16 175.426 176.391 -0.965 1
1 105 . 8 1 1 A 17 17 VAL N N 17 120.987 119.104 1.883 1
1 106 . 8 1 1 A 17 17 VAL H H 17 8.652 8.143 0.509 1
1 107 . 8 1 1 A 17 17 VAL CA C 17 64.823 63.016 1.807 1
1 108 . 8 1 1 A 17 17 VAL HA H 17 3.696 4.360 -0.664 1
1 109 . 8 1 1 A 17 17 VAL CB C 17 33.002 34.307 -1.305 1
1 119 . 8 1 1 A 17 17 VAL C C 17 176.458 176.721 -0.263 1
1 120 . 8 1 1 A 18 18 CYS N N 18 115.671 118.217 -2.546 1
1 121 . 8 1 1 A 18 18 CYS H H 18 7.886 7.952 -0.066 1
1 122 . 8 1 1 A 18 18 CYS CA C 18 57.837 58.033 -0.196 1
1 123 . 8 1 1 A 18 18 CYS HA H 18 4.894 4.320 0.574 1
1 124 . 8 1 1 A 18 18 CYS CB C 18 31.838 29.883 1.955 1
1 127 . 8 1 1 A 18 18 CYS C C 18 175.672 174.950 0.722 1
1 128 . 8 1 1 A 19 19 HIS N N 19 116.359 115.502 0.857 1
1 129 . 8 1 1 A 19 19 HIS H H 19 7.660 8.164 -0.504 1
1 130 . 8 1 1 A 19 19 HIS CA C 19 57.841 57.052 0.789 1
1 131 . 8 1 1 A 19 19 HIS HA H 19 4.496 4.253 0.243 1
1 132 . 8 1 1 A 19 19 HIS CB C 19 27.348 26.686 0.662 1
1 139 . 8 1 1 A 19 19 HIS C C 19 174.238 174.225 0.013 1
1 140 . 8 1 1 A 20 20 LYS N N 20 122.372 118.898 3.474 1
1 141 . 8 1 1 A 20 20 LYS H H 20 7.838 7.873 -0.035 1
1 142 . 8 1 1 A 20 20 LYS CA C 20 57.897 55.008 2.889 1
1 143 . 8 1 1 A 20 20 LYS HA H 20 4.131 4.266 -0.135 1
1 144 . 8 1 1 A 20 20 LYS CB C 20 34.042 32.744 1.298 1
1 156 . 8 1 1 A 20 20 LYS C C 20 174.512 175.962 -1.450 1
1 157 . 8 1 1 A 21 21 SER N N 21 115.643 120.940 -5.297 1
1 158 . 8 1 1 A 21 21 SER H H 21 7.862 8.439 -0.577 1
1 159 . 8 1 1 A 21 21 SER CA C 21 56.970 58.048 -1.078 1
1 160 . 8 1 1 A 21 21 SER HA H 21 5.289 4.451 0.838 1
1 161 . 8 1 1 A 21 21 SER CB C 21 66.008 64.131 1.877 1
1 164 . 8 1 1 A 21 21 SER C C 21 173.011 174.211 -1.200 1
1 165 . 8 1 1 A 22 22 PHE N N 22 117.902 119.368 -1.466 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.876 9.043 -0.167 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.348 56.466 0.882 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.673 5.054 -0.381 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 43.619 40.934 2.685 1
1 182 . 8 1 1 A 22 22 PHE C C 22 174.751 176.035 -1.284 1
1 183 . 8 1 1 A 23 23 ARG CA C 23 58.414 59.042 -0.628 1
1 184 . 8 1 1 A 23 23 ARG HA H 23 4.207 4.102 0.105 1
1 185 . 8 1 1 A 23 23 ARG CB C 23 31.078 30.620 0.458 1
1 194 . 8 1 1 A 23 23 ARG C C 23 175.172 175.546 -0.374 1
1 195 . 8 1 1 A 24 24 TYR N N 24 112.481 117.385 -4.904 1
1 196 . 8 1 1 A 24 24 TYR H H 24 7.392 8.307 -0.915 1
1 197 . 8 1 1 A 24 24 TYR CA C 24 55.424 56.309 -0.885 1
1 198 . 8 1 1 A 24 24 TYR HA H 24 4.990 5.005 -0.015 1
1 199 . 8 1 1 A 24 24 TYR CB C 24 41.056 41.020 0.036 1
1 210 . 8 1 1 A 24 24 TYR C C 24 176.547 176.145 0.402 1
1 211 . 8 1 1 A 25 25 GLY N N 25 113.229 111.713 1.516 1
1 212 . 8 1 1 A 25 25 GLY H H 25 8.444 8.135 0.309 1
1 213 . 8 1 1 A 25 25 GLY CA C 25 46.807 46.659 0.148 1
1 214 . 8 1 1 A 25 25 GLY HA2 H 25 3.339 2.807 0.532 1
1 215 . 8 1 1 A 25 25 GLY HA3 H 25 2.763 2.946 -0.183 1
1 216 . 8 1 1 A 25 25 GLY C C 25 176.648 175.634 1.014 1
1 217 . 8 1 1 A 26 26 SER CA C 26 60.443 62.552 -2.109 1
1 218 . 8 1 1 A 26 26 SER HA H 26 4.070 4.201 -0.131 1
1 219 . 8 1 1 A 26 26 SER CB C 26 61.509 62.825 -1.316 1
1 222 . 8 1 1 A 27 27 SER N N 27 117.119 117.766 -0.647 1
1 223 . 8 1 1 A 27 27 SER H H 27 6.975 8.032 -1.057 1
1 224 . 8 1 1 A 27 27 SER CA C 27 60.612 62.233 -1.621 1
1 225 . 8 1 1 A 27 27 SER HA H 27 4.193 4.037 0.156 1
1 226 . 8 1 1 A 27 27 SER CB C 27 62.516 63.151 -0.635 1
1 229 . 8 1 1 A 28 28 LEU N N 28 123.770 122.470 1.300 1
1 230 . 8 1 1 A 28 28 LEU H H 28 7.044 7.381 -0.337 1
1 231 . 8 1 1 A 28 28 LEU CA C 28 57.811 57.848 -0.037 1
1 232 . 8 1 1 A 28 28 LEU HA H 28 3.243 2.235 1.008 1
1 233 . 8 1 1 A 28 28 LEU CB C 28 40.095 41.765 -1.670 1
1 246 . 8 1 1 A 28 28 LEU C C 28 177.169 178.324 -1.155 1
1 247 . 8 1 1 A 29 29 THR N N 29 116.170 113.259 2.911 1
1 248 . 8 1 1 A 29 29 THR H H 29 8.074 7.444 0.630 1
1 249 . 8 1 1 A 29 29 THR CA C 29 66.661 66.619 0.042 1
1 250 . 8 1 1 A 29 29 THR HA H 29 3.920 3.842 0.078 1
1 251 . 8 1 1 A 29 29 THR CB C 29 68.519 68.343 0.176 1
1 257 . 8 1 1 A 29 29 THR C C 29 176.819 176.705 0.114 1
1 258 . 8 1 1 A 30 30 VAL N N 30 119.670 120.965 -1.295 1
1 259 . 8 1 1 A 30 30 VAL H H 30 7.348 7.994 -0.646 1
1 260 . 8 1 1 A 30 30 VAL CA C 30 66.447 66.017 0.430 1
1 261 . 8 1 1 A 30 30 VAL HA H 30 3.514 3.684 -0.170 1
1 262 . 8 1 1 A 30 30 VAL CB C 30 32.129 31.610 0.519 1
1 272 . 8 1 1 A 30 30 VAL C C 30 178.591 178.321 0.270 1
1 273 . 8 1 1 A 31 31 HIS N N 31 120.141 120.336 -0.195 1
1 274 . 8 1 1 A 31 31 HIS H H 31 7.568 8.015 -0.447 1
1 275 . 8 1 1 A 31 31 HIS CA C 31 59.358 59.017 0.341 1
1 276 . 8 1 1 A 31 31 HIS HA H 31 4.126 4.199 -0.073 1
1 277 . 8 1 1 A 31 31 HIS CB C 31 28.376 30.061 -1.685 1
1 284 . 8 1 1 A 31 31 HIS C C 31 176.177 177.284 -1.107 1
1 285 . 8 1 1 A 32 32 GLN N N 32 114.511 118.238 -3.727 1
1 286 . 8 1 1 A 32 32 GLN H H 32 8.405 8.408 -0.003 1
1 287 . 8 1 1 A 32 32 GLN CA C 32 59.401 58.589 0.812 1
1 288 . 8 1 1 A 32 32 GLN HA H 32 3.641 3.974 -0.333 1
1 289 . 8 1 1 A 32 32 GLN CB C 32 28.353 28.205 0.148 1
1 298 . 8 1 1 A 32 32 GLN C C 32 177.404 178.755 -1.351 1
1 299 . 8 1 1 A 33 33 ARG N N 33 117.508 119.236 -1.728 1
1 300 . 8 1 1 A 33 33 ARG H H 33 7.166 7.685 -0.519 1
1 301 . 8 1 1 A 33 33 ARG CA C 33 58.468 58.933 -0.465 1
1 302 . 8 1 1 A 33 33 ARG HA H 33 4.118 4.007 0.111 1
1 303 . 8 1 1 A 33 33 ARG CB C 33 30.021 29.962 0.059 1
1 312 . 8 1 1 A 33 33 ARG C C 33 178.686 179.009 -0.323 1
1 313 . 8 1 1 A 34 34 ILE N N 34 115.983 117.160 -1.177 1
1 314 . 8 1 1 A 34 34 ILE H H 34 7.823 7.261 0.562 1
1 315 . 8 1 1 A 34 34 ILE CA C 34 63.142 63.712 -0.570 1
1 316 . 8 1 1 A 34 34 ILE HA H 34 3.945 3.800 0.145 1
1 317 . 8 1 1 A 34 34 ILE CB C 34 37.712 36.938 0.774 1
1 330 . 8 1 1 A 34 34 ILE C C 34 177.354 177.102 0.252 1
1 331 . 8 1 1 A 35 35 HIS N N 35 117.112 119.518 -2.406 1
1 332 . 8 1 1 A 35 35 HIS H H 35 7.179 8.085 -0.906 1
1 333 . 8 1 1 A 35 35 HIS CA C 35 54.859 58.237 -3.378 1
1 334 . 8 1 1 A 35 35 HIS HA H 35 4.905 4.494 0.411 1
1 335 . 8 1 1 A 35 35 HIS CB C 35 28.376 30.617 -2.241 1
1 342 . 8 1 1 A 35 35 HIS C C 35 175.680 175.338 0.342 1
1 343 . 8 1 1 A 36 36 THR N N 36 112.051 113.417 -1.366 1
1 344 . 8 1 1 A 36 36 THR H H 36 7.737 7.493 0.244 1
1 345 . 8 1 1 A 36 36 THR CA C 36 62.670 61.027 1.643 1
1 346 . 8 1 1 A 36 36 THR HA H 36 4.312 4.529 -0.217 1
1 347 . 8 1 1 A 36 36 THR CB C 36 69.743 69.647 0.096 1
1 353 . 8 1 1 A 36 36 THR C C 36 175.483 173.979 1.504 1
1 354 . 8 1 1 A 37 37 GLY N N 37 110.845 111.334 -0.489 1
1 355 . 8 1 1 A 37 37 GLY H H 37 8.289 8.357 -0.068 1
1 356 . 8 1 1 A 37 37 GLY CA C 37 45.151 44.280 0.871 1
1 357 . 8 1 1 A 37 37 GLY HA2 H 37 3.988 4.013 -0.025 1
1 358 . 8 1 1 A 37 37 GLY HA3 H 37 3.945 4.020 -0.075 1
1 359 . 8 1 1 A 37 37 GLY C C 37 174.025 173.908 0.117 1
1 360 . 8 1 1 A 38 38 GLU N N 38 120.598 122.378 -1.780 1
1 361 . 8 1 1 A 38 38 GLU H H 38 8.039 8.382 -0.343 1
1 362 . 8 1 1 A 38 38 GLU CA C 38 56.442 55.449 0.993 1
1 363 . 8 1 1 A 38 38 GLU HA H 38 4.220 4.462 -0.242 1
1 364 . 8 1 1 A 38 38 GLU CB C 38 30.525 27.986 2.539 1
1 370 . 8 1 1 A 38 38 GLU C C 38 176.246 175.008 1.238 1
1 371 . 8 1 1 A 39 39 LYS N N 39 123.884 122.499 1.385 1
1 372 . 8 1 1 A 39 39 LYS H H 39 8.420 7.384 1.036 1
1 373 . 8 1 1 A 39 39 LYS CA C 39 54.071 52.257 1.814 1
1 374 . 8 1 1 A 39 39 LYS HA H 39 4.590 4.679 -0.089 1
1 375 . 8 1 1 A 39 39 LYS CB C 39 32.486 33.382 -0.896 1
1 387 . 8 1 1 A 39 39 LYS C C 39 174.070 175.990 -1.920 1
1 388 . 8 1 1 A 40 40 PRO CA C 40 63.186 64.061 -0.875 1
1 389 . 8 1 1 A 40 40 PRO HA H 40 4.436 4.450 -0.014 1
1 390 . 8 1 1 A 40 40 PRO CB C 40 32.163 31.576 0.587 1
1 399 . 8 1 1 A 41 41 SER N N 41 116.479 113.744 2.735 1
1 400 . 8 1 1 A 41 41 SER H H 41 8.459 7.673 0.786 1
1 401 . 8 1 1 A 41 41 SER CA C 41 58.355 56.644 1.711 1
1 402 . 8 1 1 A 41 41 SER HA H 41 4.461 4.911 -0.450 1
1 403 . 8 1 1 A 41 41 SER CB C 41 63.936 66.219 -2.283 1
1 406 . 8 1 1 A 42 42 GLY N N 42 110.647 111.676 -1.029 1
1 407 . 8 1 1 A 42 42 GLY H H 42 8.218 8.242 -0.024 1
1 408 . 8 1 1 A 42 42 GLY CA C 42 44.626 45.229 -0.603 1
1 409 . 8 1 1 A 42 42 GLY HA2 H 42 4.134 4.186 -0.052 1
1 410 . 8 1 1 A 42 42 GLY HA3 H 42 4.086 4.205 -0.119 1
1 411 . 8 1 1 A 43 43 PRO CA C 43 63.176 62.362 0.814 1
1 412 . 8 1 1 A 43 43 PRO HA H 43 4.434 4.725 -0.291 1
1 413 . 8 1 1 A 43 43 PRO CB C 43 32.113 29.993 2.120 1
1 422 . 8 1 1 A 44 44 SER N N 44 116.453 118.777 -2.324 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.784 64.921 -3.137 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.319 4.251 0.068 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.847 68.683 1.164 1
1 9 . 9 1 1 A 8 8 THR C C 8 175.419 175.713 -0.294 1
1 10 . 9 1 1 A 9 9 GLY N N 9 110.845 110.324 0.521 1
1 11 . 9 1 1 A 9 9 GLY H H 9 8.420 7.775 0.645 1
1 12 . 9 1 1 A 9 9 GLY CA C 9 45.170 44.948 0.222 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.904 4.093 -0.189 1
1 14 . 9 1 1 A 9 9 GLY HA3 H 9 3.904 4.095 -0.191 1
1 15 . 9 1 1 A 9 9 GLY C C 9 174.056 172.747 1.309 1
1 16 . 9 1 1 A 10 10 GLU N N 10 120.245 120.712 -0.467 1
1 17 . 9 1 1 A 10 10 GLU H H 10 8.182 8.326 -0.144 1
1 18 . 9 1 1 A 10 10 GLU CA C 10 56.868 54.607 2.261 1
1 19 . 9 1 1 A 10 10 GLU HA H 10 4.130 5.200 -1.070 1
1 20 . 9 1 1 A 10 10 GLU CB C 10 30.270 34.408 -4.138 1
1 26 . 9 1 1 A 10 10 GLU C C 10 176.191 175.189 1.002 1
1 27 . 9 1 1 A 11 11 LYS N N 11 121.318 121.797 -0.479 1
1 28 . 9 1 1 A 11 11 LYS H H 11 8.244 8.512 -0.268 1
1 29 . 9 1 1 A 11 11 LYS CA C 11 53.800 52.892 0.908 1
1 30 . 9 1 1 A 11 11 LYS HA H 11 4.483 4.807 -0.324 1
1 31 . 9 1 1 A 11 11 LYS CB C 11 32.900 34.005 -1.105 1
1 43 . 9 1 1 A 11 11 LYS C C 11 174.450 176.162 -1.712 1
1 44 . 9 1 1 A 12 12 PRO CA C 12 63.627 63.958 -0.331 1
1 45 . 9 1 1 A 12 12 PRO HA H 12 4.275 4.311 -0.036 1
1 46 . 9 1 1 A 12 12 PRO CB C 12 32.265 31.346 0.919 1
1 55 . 9 1 1 A 12 12 PRO C C 12 176.363 175.752 0.611 1
1 56 . 9 1 1 A 13 13 TYR N N 13 118.698 118.483 0.215 1
1 57 . 9 1 1 A 13 13 TYR H H 13 7.867 7.599 0.268 1
1 58 . 9 1 1 A 13 13 TYR CA C 13 57.667 56.636 1.031 1
1 59 . 9 1 1 A 13 13 TYR HA H 13 4.544 5.210 -0.666 1
1 60 . 9 1 1 A 13 13 TYR CB C 13 38.526 40.346 -1.820 1
1 71 . 9 1 1 A 13 13 TYR C C 13 174.411 174.109 0.302 1
1 72 . 9 1 1 A 14 14 LYS N N 14 124.941 125.495 -0.554 1
1 73 . 9 1 1 A 14 14 LYS H H 14 8.654 9.112 -0.458 1
1 74 . 9 1 1 A 14 14 LYS CA C 14 54.893 54.463 0.430 1
1 75 . 9 1 1 A 14 14 LYS HA H 14 4.963 5.409 -0.446 1
1 76 . 9 1 1 A 14 14 LYS CB C 14 35.303 35.891 -0.588 1
1 88 . 9 1 1 A 14 14 LYS C C 14 175.030 175.158 -0.128 1
1 89 . 9 1 1 A 15 15 CYS N N 15 126.764 124.579 2.185 1
1 90 . 9 1 1 A 15 15 CYS H H 15 9.018 9.362 -0.344 1
1 91 . 9 1 1 A 15 15 CYS CA C 15 59.556 59.876 -0.320 1
1 92 . 9 1 1 A 15 15 CYS HA H 15 4.477 4.475 0.002 1
1 93 . 9 1 1 A 15 15 CYS CB C 15 29.711 28.660 1.051 1
1 96 . 9 1 1 A 15 15 CYS C C 15 176.438 175.448 0.990 1
1 97 . 9 1 1 A 16 16 ASP N N 16 130.452 124.994 5.458 1
1 98 . 9 1 1 A 16 16 ASP H H 16 9.146 9.078 0.068 1
1 99 . 9 1 1 A 16 16 ASP CA C 16 56.059 53.312 2.747 1
1 100 . 9 1 1 A 16 16 ASP HA H 16 4.418 5.015 -0.597 1
1 101 . 9 1 1 A 16 16 ASP CB C 16 40.594 41.324 -0.730 1
1 104 . 9 1 1 A 16 16 ASP C C 16 175.426 176.907 -1.481 1
1 105 . 9 1 1 A 17 17 VAL N N 17 120.987 118.114 2.873 1
1 106 . 9 1 1 A 17 17 VAL H H 17 8.652 8.164 0.488 1
1 107 . 9 1 1 A 17 17 VAL CA C 17 64.823 63.187 1.636 1
1 108 . 9 1 1 A 17 17 VAL HA H 17 3.696 4.380 -0.684 1
1 109 . 9 1 1 A 17 17 VAL CB C 17 33.002 34.214 -1.212 1
1 119 . 9 1 1 A 17 17 VAL C C 17 176.458 176.745 -0.287 1
1 120 . 9 1 1 A 18 18 CYS N N 18 115.671 118.515 -2.844 1
1 121 . 9 1 1 A 18 18 CYS H H 18 7.886 7.971 -0.085 1
1 122 . 9 1 1 A 18 18 CYS CA C 18 57.837 58.008 -0.171 1
1 123 . 9 1 1 A 18 18 CYS HA H 18 4.894 4.285 0.609 1
1 124 . 9 1 1 A 18 18 CYS CB C 18 31.838 29.849 1.989 1
1 127 . 9 1 1 A 18 18 CYS C C 18 175.672 175.124 0.548 1
1 128 . 9 1 1 A 19 19 HIS N N 19 116.359 115.251 1.108 1
1 129 . 9 1 1 A 19 19 HIS H H 19 7.660 8.166 -0.506 1
1 130 . 9 1 1 A 19 19 HIS CA C 19 57.841 57.228 0.613 1
1 131 . 9 1 1 A 19 19 HIS HA H 19 4.496 4.252 0.244 1
1 132 . 9 1 1 A 19 19 HIS CB C 19 27.348 26.684 0.664 1
1 139 . 9 1 1 A 19 19 HIS C C 19 174.238 174.146 0.092 1
1 140 . 9 1 1 A 20 20 LYS N N 20 122.372 119.129 3.243 1
1 141 . 9 1 1 A 20 20 LYS H H 20 7.838 7.936 -0.098 1
1 142 . 9 1 1 A 20 20 LYS CA C 20 57.897 55.213 2.684 1
1 143 . 9 1 1 A 20 20 LYS HA H 20 4.131 4.243 -0.112 1
1 144 . 9 1 1 A 20 20 LYS CB C 20 34.042 32.381 1.661 1
1 156 . 9 1 1 A 20 20 LYS C C 20 174.512 175.867 -1.355 1
1 157 . 9 1 1 A 21 21 SER N N 21 115.643 120.708 -5.065 1
1 158 . 9 1 1 A 21 21 SER H H 21 7.862 8.379 -0.517 1
1 159 . 9 1 1 A 21 21 SER CA C 21 56.970 58.144 -1.174 1
1 160 . 9 1 1 A 21 21 SER HA H 21 5.289 4.454 0.835 1
1 161 . 9 1 1 A 21 21 SER CB C 21 66.008 64.329 1.679 1
1 164 . 9 1 1 A 21 21 SER C C 21 173.011 174.094 -1.083 1
1 165 . 9 1 1 A 22 22 PHE N N 22 117.902 119.381 -1.479 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.876 8.950 -0.074 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.348 56.175 1.173 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.673 5.001 -0.328 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 43.619 41.525 2.094 1
1 182 . 9 1 1 A 22 22 PHE C C 22 174.751 175.937 -1.186 1
1 183 . 9 1 1 A 23 23 ARG CA C 23 58.414 59.056 -0.642 1
1 184 . 9 1 1 A 23 23 ARG HA H 23 4.207 4.196 0.011 1
1 185 . 9 1 1 A 23 23 ARG CB C 23 31.078 30.696 0.382 1
1 194 . 9 1 1 A 23 23 ARG C C 23 175.172 175.498 -0.326 1
1 195 . 9 1 1 A 24 24 TYR N N 24 112.481 117.615 -5.134 1
1 196 . 9 1 1 A 24 24 TYR H H 24 7.392 8.256 -0.864 1
1 197 . 9 1 1 A 24 24 TYR CA C 24 55.424 56.706 -1.282 1
1 198 . 9 1 1 A 24 24 TYR HA H 24 4.990 4.969 0.021 1
1 199 . 9 1 1 A 24 24 TYR CB C 24 41.056 40.692 0.364 1
1 210 . 9 1 1 A 24 24 TYR C C 24 176.547 176.376 0.171 1
1 211 . 9 1 1 A 25 25 GLY N N 25 113.229 111.807 1.422 1
1 212 . 9 1 1 A 25 25 GLY H H 25 8.444 8.288 0.156 1
1 213 . 9 1 1 A 25 25 GLY CA C 25 46.807 46.578 0.229 1
1 214 . 9 1 1 A 25 25 GLY HA2 H 25 3.339 2.717 0.622 1
1 215 . 9 1 1 A 25 25 GLY HA3 H 25 2.763 2.782 -0.019 1
1 216 . 9 1 1 A 25 25 GLY C C 25 176.648 176.137 0.511 1
1 217 . 9 1 1 A 26 26 SER CA C 26 60.443 62.629 -2.186 1
1 218 . 9 1 1 A 26 26 SER HA H 26 4.070 4.197 -0.127 1
1 219 . 9 1 1 A 26 26 SER CB C 26 61.509 62.686 -1.177 1
1 222 . 9 1 1 A 27 27 SER N N 27 117.119 117.836 -0.717 1
1 223 . 9 1 1 A 27 27 SER H H 27 6.975 8.002 -1.027 1
1 224 . 9 1 1 A 27 27 SER CA C 27 60.612 62.171 -1.559 1
1 225 . 9 1 1 A 27 27 SER HA H 27 4.193 4.007 0.186 1
1 226 . 9 1 1 A 27 27 SER CB C 27 62.516 63.026 -0.510 1
1 229 . 9 1 1 A 28 28 LEU N N 28 123.770 122.321 1.449 1
1 230 . 9 1 1 A 28 28 LEU H H 28 7.044 7.374 -0.330 1
1 231 . 9 1 1 A 28 28 LEU CA C 28 57.811 57.819 -0.008 1
1 232 . 9 1 1 A 28 28 LEU HA H 28 3.243 2.432 0.811 1
1 233 . 9 1 1 A 28 28 LEU CB C 28 40.095 41.808 -1.713 1
1 246 . 9 1 1 A 28 28 LEU C C 28 177.169 178.403 -1.234 1
1 247 . 9 1 1 A 29 29 THR N N 29 116.170 113.445 2.725 1
1 248 . 9 1 1 A 29 29 THR H H 29 8.074 7.403 0.671 1
1 249 . 9 1 1 A 29 29 THR CA C 29 66.661 66.624 0.037 1
1 250 . 9 1 1 A 29 29 THR HA H 29 3.920 3.857 0.063 1
1 251 . 9 1 1 A 29 29 THR CB C 29 68.519 68.382 0.137 1
1 257 . 9 1 1 A 29 29 THR C C 29 176.819 176.722 0.097 1
1 258 . 9 1 1 A 30 30 VAL N N 30 119.670 120.908 -1.238 1
1 259 . 9 1 1 A 30 30 VAL H H 30 7.348 8.009 -0.661 1
1 260 . 9 1 1 A 30 30 VAL CA C 30 66.447 66.139 0.308 1
1 261 . 9 1 1 A 30 30 VAL HA H 30 3.514 3.668 -0.154 1
1 262 . 9 1 1 A 30 30 VAL CB C 30 32.129 31.607 0.522 1
1 272 . 9 1 1 A 30 30 VAL C C 30 178.591 178.304 0.287 1
1 273 . 9 1 1 A 31 31 HIS N N 31 120.141 120.477 -0.336 1
1 274 . 9 1 1 A 31 31 HIS H H 31 7.568 7.923 -0.355 1
1 275 . 9 1 1 A 31 31 HIS CA C 31 59.358 59.117 0.241 1
1 276 . 9 1 1 A 31 31 HIS HA H 31 4.126 4.192 -0.066 1
1 277 . 9 1 1 A 31 31 HIS CB C 31 28.376 30.047 -1.671 1
1 284 . 9 1 1 A 31 31 HIS C C 31 176.177 177.309 -1.132 1
1 285 . 9 1 1 A 32 32 GLN N N 32 114.511 118.258 -3.747 1
1 286 . 9 1 1 A 32 32 GLN H H 32 8.405 8.390 0.015 1
1 287 . 9 1 1 A 32 32 GLN CA C 32 59.401 58.599 0.802 1
1 288 . 9 1 1 A 32 32 GLN HA H 32 3.641 3.971 -0.330 1
1 289 . 9 1 1 A 32 32 GLN CB C 32 28.353 28.213 0.140 1
1 298 . 9 1 1 A 32 32 GLN C C 32 177.404 178.855 -1.451 1
1 299 . 9 1 1 A 33 33 ARG N N 33 117.508 119.443 -1.935 1
1 300 . 9 1 1 A 33 33 ARG H H 33 7.166 7.782 -0.616 1
1 301 . 9 1 1 A 33 33 ARG CA C 33 58.468 58.785 -0.317 1
1 302 . 9 1 1 A 33 33 ARG HA H 33 4.118 3.985 0.133 1
1 303 . 9 1 1 A 33 33 ARG CB C 33 30.021 29.891 0.130 1
1 312 . 9 1 1 A 33 33 ARG C C 33 178.686 178.901 -0.215 1
1 313 . 9 1 1 A 34 34 ILE N N 34 115.983 117.276 -1.293 1
1 314 . 9 1 1 A 34 34 ILE H H 34 7.823 7.274 0.549 1
1 315 . 9 1 1 A 34 34 ILE CA C 34 63.142 63.829 -0.687 1
1 316 . 9 1 1 A 34 34 ILE HA H 34 3.945 3.812 0.133 1
1 317 . 9 1 1 A 34 34 ILE CB C 34 37.712 36.877 0.835 1
1 330 . 9 1 1 A 34 34 ILE C C 34 177.354 177.196 0.158 1
1 331 . 9 1 1 A 35 35 HIS N N 35 117.112 119.427 -2.315 1
1 332 . 9 1 1 A 35 35 HIS H H 35 7.179 7.797 -0.618 1
1 333 . 9 1 1 A 35 35 HIS CA C 35 54.859 58.007 -3.148 1
1 334 . 9 1 1 A 35 35 HIS HA H 35 4.905 4.439 0.466 1
1 335 . 9 1 1 A 35 35 HIS CB C 35 28.376 30.773 -2.397 1
1 342 . 9 1 1 A 35 35 HIS C C 35 175.680 175.274 0.406 1
1 343 . 9 1 1 A 36 36 THR N N 36 112.051 113.744 -1.693 1
1 344 . 9 1 1 A 36 36 THR H H 36 7.737 7.626 0.111 1
1 345 . 9 1 1 A 36 36 THR CA C 36 62.670 60.564 2.106 1
1 346 . 9 1 1 A 36 36 THR HA H 36 4.312 4.560 -0.248 1
1 347 . 9 1 1 A 36 36 THR CB C 36 69.743 71.788 -2.045 1
1 353 . 9 1 1 A 36 36 THR C C 36 175.483 174.666 0.817 1
1 354 . 9 1 1 A 37 37 GLY N N 37 110.845 115.740 -4.895 1
1 355 . 9 1 1 A 37 37 GLY H H 37 8.289 8.300 -0.011 1
1 356 . 9 1 1 A 37 37 GLY CA C 37 45.151 46.691 -1.540 1
1 357 . 9 1 1 A 37 37 GLY HA2 H 37 3.988 3.916 0.072 1
1 358 . 9 1 1 A 37 37 GLY HA3 H 37 3.945 3.922 0.023 1
1 359 . 9 1 1 A 37 37 GLY C C 37 174.025 173.822 0.203 1
1 360 . 9 1 1 A 38 38 GLU N N 38 120.598 125.534 -4.936 1
1 361 . 9 1 1 A 38 38 GLU H H 38 8.039 8.402 -0.363 1
1 362 . 9 1 1 A 38 38 GLU CA C 38 56.442 56.190 0.252 1
1 363 . 9 1 1 A 38 38 GLU HA H 38 4.220 4.580 -0.360 1
1 364 . 9 1 1 A 38 38 GLU CB C 38 30.525 30.614 -0.089 1
1 370 . 9 1 1 A 38 38 GLU C C 38 176.246 175.673 0.573 1
1 371 . 9 1 1 A 39 39 LYS N N 39 123.884 123.901 -0.017 1
1 372 . 9 1 1 A 39 39 LYS H H 39 8.420 8.627 -0.207 1
1 373 . 9 1 1 A 39 39 LYS CA C 39 54.071 55.011 -0.940 1
1 374 . 9 1 1 A 39 39 LYS HA H 39 4.590 4.887 -0.297 1
1 375 . 9 1 1 A 39 39 LYS CB C 39 32.486 35.424 -2.938 1
1 387 . 9 1 1 A 39 39 LYS C C 39 174.070 175.994 -1.924 1
1 388 . 9 1 1 A 40 40 PRO CA C 40 63.186 65.029 -1.843 1
1 389 . 9 1 1 A 40 40 PRO HA H 40 4.436 4.374 0.062 1
1 390 . 9 1 1 A 40 40 PRO CB C 40 32.163 32.133 0.030 1
1 399 . 9 1 1 A 41 41 SER N N 41 116.479 109.570 6.909 1
1 400 . 9 1 1 A 41 41 SER H H 41 8.459 7.760 0.699 1
1 401 . 9 1 1 A 41 41 SER CA C 41 58.355 57.179 1.176 1
1 402 . 9 1 1 A 41 41 SER HA H 41 4.461 4.562 -0.101 1
1 403 . 9 1 1 A 41 41 SER CB C 41 63.936 64.734 -0.798 1
1 406 . 9 1 1 A 42 42 GLY N N 42 110.647 110.332 0.315 1
1 407 . 9 1 1 A 42 42 GLY H H 42 8.218 8.867 -0.649 1
1 408 . 9 1 1 A 42 42 GLY CA C 42 44.626 44.516 0.110 1
1 409 . 9 1 1 A 42 42 GLY HA2 H 42 4.134 4.011 0.123 1
1 410 . 9 1 1 A 42 42 GLY HA3 H 42 4.086 4.013 0.073 1
1 411 . 9 1 1 A 43 43 PRO CA C 43 63.176 62.468 0.708 1
1 412 . 9 1 1 A 43 43 PRO HA H 43 4.434 4.519 -0.085 1
1 413 . 9 1 1 A 43 43 PRO CB C 43 32.113 32.343 -0.230 1
1 422 . 9 1 1 A 44 44 SER N N 44 116.453 117.952 -1.499 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.784 65.460 -3.676 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.319 4.009 0.310 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.847 68.311 1.536 1
1 9 . 10 1 1 A 8 8 THR C C 8 175.419 174.952 0.467 1
1 10 . 10 1 1 A 9 9 GLY N N 9 110.845 109.876 0.969 1
1 11 . 10 1 1 A 9 9 GLY H H 9 8.420 7.700 0.720 1
1 12 . 10 1 1 A 9 9 GLY CA C 9 45.170 44.848 0.322 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.904 4.084 -0.180 1
1 14 . 10 1 1 A 9 9 GLY HA3 H 9 3.904 4.084 -0.180 1
1 15 . 10 1 1 A 9 9 GLY C C 9 174.056 172.493 1.563 1
1 16 . 10 1 1 A 10 10 GLU N N 10 120.245 118.524 1.721 1
1 17 . 10 1 1 A 10 10 GLU H H 10 8.182 8.916 -0.734 1
1 18 . 10 1 1 A 10 10 GLU CA C 10 56.868 54.421 2.447 1
1 19 . 10 1 1 A 10 10 GLU HA H 10 4.130 5.264 -1.134 1
1 20 . 10 1 1 A 10 10 GLU CB C 10 30.270 33.950 -3.680 1
1 26 . 10 1 1 A 10 10 GLU C C 10 176.191 174.142 2.049 1
1 27 . 10 1 1 A 11 11 LYS N N 11 121.318 119.597 1.721 1
1 28 . 10 1 1 A 11 11 LYS H H 11 8.244 8.473 -0.229 1
1 29 . 10 1 1 A 11 11 LYS CA C 11 53.800 52.977 0.823 1
1 30 . 10 1 1 A 11 11 LYS HA H 11 4.483 4.790 -0.307 1
1 31 . 10 1 1 A 11 11 LYS CB C 11 32.900 34.022 -1.122 1
1 43 . 10 1 1 A 11 11 LYS C C 11 174.450 176.124 -1.674 1
1 44 . 10 1 1 A 12 12 PRO CA C 12 63.627 63.866 -0.239 1
1 45 . 10 1 1 A 12 12 PRO HA H 12 4.275 4.301 -0.026 1
1 46 . 10 1 1 A 12 12 PRO CB C 12 32.265 31.314 0.951 1
1 55 . 10 1 1 A 12 12 PRO C C 12 176.363 175.690 0.673 1
1 56 . 10 1 1 A 13 13 TYR N N 13 118.698 118.460 0.238 1
1 57 . 10 1 1 A 13 13 TYR H H 13 7.867 7.571 0.296 1
1 58 . 10 1 1 A 13 13 TYR CA C 13 57.667 56.577 1.090 1
1 59 . 10 1 1 A 13 13 TYR HA H 13 4.544 5.204 -0.660 1
1 60 . 10 1 1 A 13 13 TYR CB C 13 38.526 40.221 -1.695 1
1 71 . 10 1 1 A 13 13 TYR C C 13 174.411 174.065 0.346 1
1 72 . 10 1 1 A 14 14 LYS N N 14 124.941 125.363 -0.422 1
1 73 . 10 1 1 A 14 14 LYS H H 14 8.654 9.089 -0.435 1
1 74 . 10 1 1 A 14 14 LYS CA C 14 54.893 54.440 0.453 1
1 75 . 10 1 1 A 14 14 LYS HA H 14 4.963 5.542 -0.579 1
1 76 . 10 1 1 A 14 14 LYS CB C 14 35.303 35.989 -0.686 1
1 88 . 10 1 1 A 14 14 LYS C C 14 175.030 175.086 -0.056 1
1 89 . 10 1 1 A 15 15 CYS N N 15 126.764 124.581 2.183 1
1 90 . 10 1 1 A 15 15 CYS H H 15 9.018 9.457 -0.439 1
1 91 . 10 1 1 A 15 15 CYS CA C 15 59.556 59.767 -0.211 1
1 92 . 10 1 1 A 15 15 CYS HA H 15 4.477 4.549 -0.072 1
1 93 . 10 1 1 A 15 15 CYS CB C 15 29.711 28.911 0.800 1
1 96 . 10 1 1 A 15 15 CYS C C 15 176.438 175.016 1.422 1
1 97 . 10 1 1 A 16 16 ASP N N 16 130.452 124.501 5.951 1
1 98 . 10 1 1 A 16 16 ASP H H 16 9.146 9.046 0.100 1
1 99 . 10 1 1 A 16 16 ASP CA C 16 56.059 53.735 2.324 1
1 100 . 10 1 1 A 16 16 ASP HA H 16 4.418 4.933 -0.515 1
1 101 . 10 1 1 A 16 16 ASP CB C 16 40.594 41.592 -0.998 1
1 104 . 10 1 1 A 16 16 ASP C C 16 175.426 177.536 -2.110 1
1 105 . 10 1 1 A 17 17 VAL N N 17 120.987 118.535 2.452 1
1 106 . 10 1 1 A 17 17 VAL H H 17 8.652 8.032 0.620 1
1 107 . 10 1 1 A 17 17 VAL CA C 17 64.823 63.907 0.916 1
1 108 . 10 1 1 A 17 17 VAL HA H 17 3.696 4.300 -0.604 1
1 109 . 10 1 1 A 17 17 VAL CB C 17 33.002 33.086 -0.084 1
1 119 . 10 1 1 A 17 17 VAL C C 17 176.458 176.731 -0.273 1
1 120 . 10 1 1 A 18 18 CYS N N 18 115.671 118.322 -2.651 1
1 121 . 10 1 1 A 18 18 CYS H H 18 7.886 7.975 -0.089 1
1 122 . 10 1 1 A 18 18 CYS CA C 18 57.837 58.258 -0.421 1
1 123 . 10 1 1 A 18 18 CYS HA H 18 4.894 4.335 0.559 1
1 124 . 10 1 1 A 18 18 CYS CB C 18 31.838 29.914 1.924 1
1 127 . 10 1 1 A 18 18 CYS C C 18 175.672 175.151 0.521 1
1 128 . 10 1 1 A 19 19 HIS N N 19 116.359 115.311 1.048 1
1 129 . 10 1 1 A 19 19 HIS H H 19 7.660 8.237 -0.577 1
1 130 . 10 1 1 A 19 19 HIS CA C 19 57.841 57.196 0.645 1
1 131 . 10 1 1 A 19 19 HIS HA H 19 4.496 4.344 0.152 1
1 132 . 10 1 1 A 19 19 HIS CB C 19 27.348 26.710 0.638 1
1 139 . 10 1 1 A 19 19 HIS C C 19 174.238 174.118 0.120 1
1 140 . 10 1 1 A 20 20 LYS N N 20 122.372 119.054 3.318 1
1 141 . 10 1 1 A 20 20 LYS H H 20 7.838 7.823 0.015 1
1 142 . 10 1 1 A 20 20 LYS CA C 20 57.897 55.184 2.713 1
1 143 . 10 1 1 A 20 20 LYS HA H 20 4.131 4.240 -0.109 1
1 144 . 10 1 1 A 20 20 LYS CB C 20 34.042 32.708 1.334 1
1 156 . 10 1 1 A 20 20 LYS C C 20 174.512 175.941 -1.429 1
1 157 . 10 1 1 A 21 21 SER N N 21 115.643 120.786 -5.143 1
1 158 . 10 1 1 A 21 21 SER H H 21 7.862 8.393 -0.531 1
1 159 . 10 1 1 A 21 21 SER CA C 21 56.970 58.049 -1.079 1
1 160 . 10 1 1 A 21 21 SER HA H 21 5.289 4.443 0.846 1
1 161 . 10 1 1 A 21 21 SER CB C 21 66.008 64.321 1.687 1
1 164 . 10 1 1 A 21 21 SER C C 21 173.011 174.100 -1.089 1
1 165 . 10 1 1 A 22 22 PHE N N 22 117.902 119.309 -1.407 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.876 8.992 -0.116 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.348 56.388 0.960 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.673 5.065 -0.392 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 43.619 41.091 2.528 1
1 182 . 10 1 1 A 22 22 PHE C C 22 174.751 175.928 -1.177 1
1 183 . 10 1 1 A 23 23 ARG CA C 23 58.414 58.832 -0.418 1
1 184 . 10 1 1 A 23 23 ARG HA H 23 4.207 4.000 0.207 1
1 185 . 10 1 1 A 23 23 ARG CB C 23 31.078 30.263 0.815 1
1 194 . 10 1 1 A 23 23 ARG C C 23 175.172 175.250 -0.078 1
1 195 . 10 1 1 A 24 24 TYR N N 24 112.481 117.404 -4.923 1
1 196 . 10 1 1 A 24 24 TYR H H 24 7.392 8.290 -0.898 1
1 197 . 10 1 1 A 24 24 TYR CA C 24 55.424 56.766 -1.342 1
1 198 . 10 1 1 A 24 24 TYR HA H 24 4.990 4.975 0.015 1
1 199 . 10 1 1 A 24 24 TYR CB C 24 41.056 40.472 0.584 1
1 210 . 10 1 1 A 24 24 TYR C C 24 176.547 176.381 0.166 1
1 211 . 10 1 1 A 25 25 GLY N N 25 113.229 112.144 1.085 1
1 212 . 10 1 1 A 25 25 GLY H H 25 8.444 8.347 0.097 1
1 213 . 10 1 1 A 25 25 GLY CA C 25 46.807 46.642 0.165 1
1 214 . 10 1 1 A 25 25 GLY HA2 H 25 3.339 2.788 0.551 1
1 215 . 10 1 1 A 25 25 GLY HA3 H 25 2.763 2.827 -0.064 1
1 216 . 10 1 1 A 25 25 GLY C C 25 176.648 175.669 0.979 1
1 217 . 10 1 1 A 26 26 SER CA C 26 60.443 61.256 -0.813 1
1 218 . 10 1 1 A 26 26 SER HA H 26 4.070 4.066 0.004 1
1 219 . 10 1 1 A 26 26 SER CB C 26 61.509 62.708 -1.199 1
1 222 . 10 1 1 A 27 27 SER N N 27 117.119 117.185 -0.066 1
1 223 . 10 1 1 A 27 27 SER H H 27 6.975 7.985 -1.010 1
1 224 . 10 1 1 A 27 27 SER CA C 27 60.612 62.253 -1.641 1
1 225 . 10 1 1 A 27 27 SER HA H 27 4.193 4.002 0.191 1
1 226 . 10 1 1 A 27 27 SER CB C 27 62.516 63.049 -0.533 1
1 229 . 10 1 1 A 28 28 LEU N N 28 123.770 122.335 1.435 1
1 230 . 10 1 1 A 28 28 LEU H H 28 7.044 7.364 -0.320 1
1 231 . 10 1 1 A 28 28 LEU CA C 28 57.811 58.028 -0.217 1
1 232 . 10 1 1 A 28 28 LEU HA H 28 3.243 2.491 0.752 1
1 233 . 10 1 1 A 28 28 LEU CB C 28 40.095 41.761 -1.666 1
1 246 . 10 1 1 A 28 28 LEU C C 28 177.169 178.361 -1.192 1
1 247 . 10 1 1 A 29 29 THR N N 29 116.170 113.272 2.898 1
1 248 . 10 1 1 A 29 29 THR H H 29 8.074 7.454 0.620 1
1 249 . 10 1 1 A 29 29 THR CA C 29 66.661 66.626 0.035 1
1 250 . 10 1 1 A 29 29 THR HA H 29 3.920 3.851 0.069 1
1 251 . 10 1 1 A 29 29 THR CB C 29 68.519 68.344 0.175 1
1 257 . 10 1 1 A 29 29 THR C C 29 176.819 176.605 0.214 1
1 258 . 10 1 1 A 30 30 VAL N N 30 119.670 120.902 -1.232 1
1 259 . 10 1 1 A 30 30 VAL H H 30 7.348 7.972 -0.624 1
1 260 . 10 1 1 A 30 30 VAL CA C 30 66.447 65.999 0.448 1
1 261 . 10 1 1 A 30 30 VAL HA H 30 3.514 3.659 -0.145 1
1 262 . 10 1 1 A 30 30 VAL CB C 30 32.129 31.600 0.529 1
1 272 . 10 1 1 A 30 30 VAL C C 30 178.591 178.339 0.252 1
1 273 . 10 1 1 A 31 31 HIS N N 31 120.141 120.349 -0.208 1
1 274 . 10 1 1 A 31 31 HIS H H 31 7.568 7.970 -0.402 1
1 275 . 10 1 1 A 31 31 HIS CA C 31 59.358 58.868 0.490 1
1 276 . 10 1 1 A 31 31 HIS HA H 31 4.126 4.178 -0.052 1
1 277 . 10 1 1 A 31 31 HIS CB C 31 28.376 30.080 -1.704 1
1 284 . 10 1 1 A 31 31 HIS C C 31 176.177 177.302 -1.125 1
1 285 . 10 1 1 A 32 32 GLN N N 32 114.511 118.255 -3.744 1
1 286 . 10 1 1 A 32 32 GLN H H 32 8.405 8.425 -0.020 1
1 287 . 10 1 1 A 32 32 GLN CA C 32 59.401 58.608 0.793 1
1 288 . 10 1 1 A 32 32 GLN HA H 32 3.641 3.882 -0.241 1
1 289 . 10 1 1 A 32 32 GLN CB C 32 28.353 28.197 0.156 1
1 298 . 10 1 1 A 32 32 GLN C C 32 177.404 178.675 -1.271 1
1 299 . 10 1 1 A 33 33 ARG N N 33 117.508 119.014 -1.506 1
1 300 . 10 1 1 A 33 33 ARG H H 33 7.166 7.741 -0.575 1
1 301 . 10 1 1 A 33 33 ARG CA C 33 58.468 58.896 -0.428 1
1 302 . 10 1 1 A 33 33 ARG HA H 33 4.118 4.014 0.104 1
1 303 . 10 1 1 A 33 33 ARG CB C 33 30.021 30.024 -0.003 1
1 312 . 10 1 1 A 33 33 ARG C C 33 178.686 178.833 -0.147 1
1 313 . 10 1 1 A 34 34 ILE N N 34 115.983 116.397 -0.414 1
1 314 . 10 1 1 A 34 34 ILE H H 34 7.823 7.194 0.629 1
1 315 . 10 1 1 A 34 34 ILE CA C 34 63.142 64.055 -0.913 1
1 316 . 10 1 1 A 34 34 ILE HA H 34 3.945 3.759 0.186 1
1 317 . 10 1 1 A 34 34 ILE CB C 34 37.712 36.983 0.729 1
1 330 . 10 1 1 A 34 34 ILE C C 34 177.354 177.578 -0.224 1
1 331 . 10 1 1 A 35 35 HIS N N 35 117.112 119.524 -2.412 1
1 332 . 10 1 1 A 35 35 HIS H H 35 7.179 7.860 -0.681 1
1 333 . 10 1 1 A 35 35 HIS CA C 35 54.859 57.949 -3.090 1
1 334 . 10 1 1 A 35 35 HIS HA H 35 4.905 4.441 0.464 1
1 335 . 10 1 1 A 35 35 HIS CB C 35 28.376 30.598 -2.222 1
1 342 . 10 1 1 A 35 35 HIS C C 35 175.680 175.196 0.484 1
1 343 . 10 1 1 A 36 36 THR N N 36 112.051 114.575 -2.524 1
1 344 . 10 1 1 A 36 36 THR H H 36 7.737 7.391 0.346 1
1 345 . 10 1 1 A 36 36 THR CA C 36 62.670 60.108 2.562 1
1 346 . 10 1 1 A 36 36 THR HA H 36 4.312 4.710 -0.398 1
1 347 . 10 1 1 A 36 36 THR CB C 36 69.743 71.780 -2.037 1
1 353 . 10 1 1 A 36 36 THR C C 36 175.483 173.279 2.204 1
1 354 . 10 1 1 A 37 37 GLY N N 37 110.845 112.914 -2.069 1
1 355 . 10 1 1 A 37 37 GLY H H 37 8.289 8.290 -0.001 1
1 356 . 10 1 1 A 37 37 GLY CA C 37 45.151 44.229 0.922 1
1 357 . 10 1 1 A 37 37 GLY HA2 H 37 3.988 4.115 -0.127 1
1 358 . 10 1 1 A 37 37 GLY HA3 H 37 3.945 4.119 -0.174 1
1 359 . 10 1 1 A 37 37 GLY C C 37 174.025 172.013 2.012 1
1 360 . 10 1 1 A 38 38 GLU N N 38 120.598 119.907 0.691 1
1 361 . 10 1 1 A 38 38 GLU H H 38 8.039 8.398 -0.359 1
1 362 . 10 1 1 A 38 38 GLU CA C 38 56.442 55.664 0.778 1
1 363 . 10 1 1 A 38 38 GLU HA H 38 4.220 4.344 -0.124 1
1 364 . 10 1 1 A 38 38 GLU CB C 38 30.525 30.742 -0.217 1
1 370 . 10 1 1 A 38 38 GLU C C 38 176.246 176.816 -0.570 1
1 371 . 10 1 1 A 39 39 LYS N N 39 123.884 122.120 1.764 1
1 372 . 10 1 1 A 39 39 LYS H H 39 8.420 8.472 -0.052 1
1 373 . 10 1 1 A 39 39 LYS CA C 39 54.071 55.393 -1.322 1
1 374 . 10 1 1 A 39 39 LYS HA H 39 4.590 4.279 0.311 1
1 375 . 10 1 1 A 39 39 LYS CB C 39 32.486 31.887 0.599 1
1 387 . 10 1 1 A 39 39 LYS C C 39 174.070 176.460 -2.390 1
1 388 . 10 1 1 A 40 40 PRO CA C 40 63.186 64.146 -0.960 1
1 389 . 10 1 1 A 40 40 PRO HA H 40 4.436 4.419 0.017 1
1 390 . 10 1 1 A 40 40 PRO CB C 40 32.163 31.648 0.515 1
1 399 . 10 1 1 A 41 41 SER N N 41 116.479 109.419 7.060 1
1 400 . 10 1 1 A 41 41 SER H H 41 8.459 7.814 0.645 1
1 401 . 10 1 1 A 41 41 SER CA C 41 58.355 56.613 1.742 1
1 402 . 10 1 1 A 41 41 SER HA H 41 4.461 4.922 -0.461 1
1 403 . 10 1 1 A 41 41 SER CB C 41 63.936 66.115 -2.179 1
1 406 . 10 1 1 A 42 42 GLY N N 42 110.647 109.159 1.488 1
1 407 . 10 1 1 A 42 42 GLY H H 42 8.218 8.504 -0.286 1
1 408 . 10 1 1 A 42 42 GLY CA C 42 44.626 44.777 -0.151 1
1 409 . 10 1 1 A 42 42 GLY HA2 H 42 4.134 4.161 -0.027 1
1 410 . 10 1 1 A 42 42 GLY HA3 H 42 4.086 4.161 -0.075 1
1 411 . 10 1 1 A 43 43 PRO CA C 43 63.176 62.379 0.797 1
1 412 . 10 1 1 A 43 43 PRO HA H 43 4.434 4.526 -0.092 1
1 413 . 10 1 1 A 43 43 PRO CB C 43 32.113 32.765 -0.652 1
1 422 . 10 1 1 A 44 44 SER N N 44 116.453 118.633 -2.180 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.784 60.832 0.952 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.319 5.035 -0.716 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.847 71.987 -2.140 1
1 9 . 11 1 1 A 8 8 THR C C 8 175.419 173.763 1.656 1
1 10 . 11 1 1 A 9 9 GLY N N 9 110.845 111.075 -0.230 1
1 11 . 11 1 1 A 9 9 GLY H H 9 8.420 8.319 0.101 1
1 12 . 11 1 1 A 9 9 GLY CA C 9 45.170 45.685 -0.515 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.904 4.109 -0.205 1
1 14 . 11 1 1 A 9 9 GLY HA3 H 9 3.904 4.114 -0.210 1
1 15 . 11 1 1 A 9 9 GLY C C 9 174.056 171.608 2.448 1
1 16 . 11 1 1 A 10 10 GLU N N 10 120.245 119.870 0.375 1
1 17 . 11 1 1 A 10 10 GLU H H 10 8.182 8.604 -0.422 1
1 18 . 11 1 1 A 10 10 GLU CA C 10 56.868 55.072 1.796 1
1 19 . 11 1 1 A 10 10 GLU HA H 10 4.130 5.051 -0.921 1
1 20 . 11 1 1 A 10 10 GLU CB C 10 30.270 32.822 -2.552 1
1 26 . 11 1 1 A 10 10 GLU C C 10 176.191 175.082 1.109 1
1 27 . 11 1 1 A 11 11 LYS N N 11 121.318 125.151 -3.833 1
1 28 . 11 1 1 A 11 11 LYS H H 11 8.244 8.676 -0.432 1
1 29 . 11 1 1 A 11 11 LYS CA C 11 53.800 52.382 1.418 1
1 30 . 11 1 1 A 11 11 LYS HA H 11 4.483 4.941 -0.458 1
1 31 . 11 1 1 A 11 11 LYS CB C 11 32.900 34.492 -1.592 1
1 43 . 11 1 1 A 11 11 LYS C C 11 174.450 175.634 -1.184 1
1 44 . 11 1 1 A 12 12 PRO CA C 12 63.627 63.831 -0.204 1
1 45 . 11 1 1 A 12 12 PRO HA H 12 4.275 4.325 -0.050 1
1 46 . 11 1 1 A 12 12 PRO CB C 12 32.265 31.280 0.985 1
1 55 . 11 1 1 A 12 12 PRO C C 12 176.363 175.661 0.702 1
1 56 . 11 1 1 A 13 13 TYR N N 13 118.698 118.538 0.160 1
1 57 . 11 1 1 A 13 13 TYR H H 13 7.867 7.511 0.356 1
1 58 . 11 1 1 A 13 13 TYR CA C 13 57.667 56.579 1.088 1
1 59 . 11 1 1 A 13 13 TYR HA H 13 4.544 5.226 -0.682 1
1 60 . 11 1 1 A 13 13 TYR CB C 13 38.526 40.450 -1.924 1
1 71 . 11 1 1 A 13 13 TYR C C 13 174.411 174.144 0.267 1
1 72 . 11 1 1 A 14 14 LYS N N 14 124.941 125.229 -0.288 1
1 73 . 11 1 1 A 14 14 LYS H H 14 8.654 9.001 -0.347 1
1 74 . 11 1 1 A 14 14 LYS CA C 14 54.893 54.560 0.333 1
1 75 . 11 1 1 A 14 14 LYS HA H 14 4.963 5.446 -0.483 1
1 76 . 11 1 1 A 14 14 LYS CB C 14 35.303 36.119 -0.816 1
1 88 . 11 1 1 A 14 14 LYS C C 14 175.030 175.071 -0.041 1
1 89 . 11 1 1 A 15 15 CYS N N 15 126.764 124.560 2.204 1
1 90 . 11 1 1 A 15 15 CYS H H 15 9.018 9.352 -0.334 1
1 91 . 11 1 1 A 15 15 CYS CA C 15 59.556 59.989 -0.433 1
1 92 . 11 1 1 A 15 15 CYS HA H 15 4.477 4.496 -0.019 1
1 93 . 11 1 1 A 15 15 CYS CB C 15 29.711 28.456 1.255 1
1 96 . 11 1 1 A 15 15 CYS C C 15 176.438 175.376 1.062 1
1 97 . 11 1 1 A 16 16 ASP N N 16 130.452 125.116 5.336 1
1 98 . 11 1 1 A 16 16 ASP H H 16 9.146 9.167 -0.021 1
1 99 . 11 1 1 A 16 16 ASP CA C 16 56.059 54.266 1.793 1
1 100 . 11 1 1 A 16 16 ASP HA H 16 4.418 4.979 -0.561 1
1 101 . 11 1 1 A 16 16 ASP CB C 16 40.594 41.523 -0.929 1
1 104 . 11 1 1 A 16 16 ASP C C 16 175.426 176.402 -0.976 1
1 105 . 11 1 1 A 17 17 VAL N N 17 120.987 119.051 1.936 1
1 106 . 11 1 1 A 17 17 VAL H H 17 8.652 8.194 0.458 1
1 107 . 11 1 1 A 17 17 VAL CA C 17 64.823 63.082 1.741 1
1 108 . 11 1 1 A 17 17 VAL HA H 17 3.696 4.404 -0.708 1
1 109 . 11 1 1 A 17 17 VAL CB C 17 33.002 34.358 -1.356 1
1 119 . 11 1 1 A 17 17 VAL C C 17 176.458 176.769 -0.311 1
1 120 . 11 1 1 A 18 18 CYS N N 18 115.671 118.616 -2.945 1
1 121 . 11 1 1 A 18 18 CYS H H 18 7.886 8.065 -0.179 1
1 122 . 11 1 1 A 18 18 CYS CA C 18 57.837 58.226 -0.389 1
1 123 . 11 1 1 A 18 18 CYS HA H 18 4.894 4.562 0.332 1
1 124 . 11 1 1 A 18 18 CYS CB C 18 31.838 29.710 2.128 1
1 127 . 11 1 1 A 18 18 CYS C C 18 175.672 175.035 0.637 1
1 128 . 11 1 1 A 19 19 HIS N N 19 116.359 115.241 1.118 1
1 129 . 11 1 1 A 19 19 HIS H H 19 7.660 8.300 -0.640 1
1 130 . 11 1 1 A 19 19 HIS CA C 19 57.841 56.945 0.896 1
1 131 . 11 1 1 A 19 19 HIS HA H 19 4.496 4.302 0.194 1
1 132 . 11 1 1 A 19 19 HIS CB C 19 27.348 26.665 0.683 1
1 139 . 11 1 1 A 19 19 HIS C C 19 174.238 174.215 0.023 1
1 140 . 11 1 1 A 20 20 LYS N N 20 122.372 119.142 3.230 1
1 141 . 11 1 1 A 20 20 LYS H H 20 7.838 8.003 -0.165 1
1 142 . 11 1 1 A 20 20 LYS CA C 20 57.897 55.346 2.551 1
1 143 . 11 1 1 A 20 20 LYS HA H 20 4.131 4.217 -0.086 1
1 144 . 11 1 1 A 20 20 LYS CB C 20 34.042 32.400 1.642 1
1 156 . 11 1 1 A 20 20 LYS C C 20 174.512 175.799 -1.287 1
1 157 . 11 1 1 A 21 21 SER N N 21 115.643 120.830 -5.187 1
1 158 . 11 1 1 A 21 21 SER H H 21 7.862 8.399 -0.537 1
1 159 . 11 1 1 A 21 21 SER CA C 21 56.970 58.121 -1.151 1
1 160 . 11 1 1 A 21 21 SER HA H 21 5.289 4.406 0.883 1
1 161 . 11 1 1 A 21 21 SER CB C 21 66.008 64.286 1.722 1
1 164 . 11 1 1 A 21 21 SER C C 21 173.011 174.129 -1.118 1
1 165 . 11 1 1 A 22 22 PHE N N 22 117.902 119.410 -1.508 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.876 8.995 -0.119 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.348 56.453 0.895 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.673 5.045 -0.372 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 43.619 40.842 2.777 1
1 182 . 11 1 1 A 22 22 PHE C C 22 174.751 175.868 -1.117 1
1 183 . 11 1 1 A 23 23 ARG CA C 23 58.414 59.050 -0.636 1
1 184 . 11 1 1 A 23 23 ARG HA H 23 4.207 4.097 0.110 1
1 185 . 11 1 1 A 23 23 ARG CB C 23 31.078 30.610 0.468 1
1 194 . 11 1 1 A 23 23 ARG C C 23 175.172 175.554 -0.382 1
1 195 . 11 1 1 A 24 24 TYR N N 24 112.481 117.183 -4.702 1
1 196 . 11 1 1 A 24 24 TYR H H 24 7.392 8.333 -0.941 1
1 197 . 11 1 1 A 24 24 TYR CA C 24 55.424 56.514 -1.090 1
1 198 . 11 1 1 A 24 24 TYR HA H 24 4.990 5.076 -0.086 1
1 199 . 11 1 1 A 24 24 TYR CB C 24 41.056 40.989 0.067 1
1 210 . 11 1 1 A 24 24 TYR C C 24 176.547 176.332 0.215 1
1 211 . 11 1 1 A 25 25 GLY N N 25 113.229 111.777 1.452 1
1 212 . 11 1 1 A 25 25 GLY H H 25 8.444 8.299 0.145 1
1 213 . 11 1 1 A 25 25 GLY CA C 25 46.807 46.602 0.205 1
1 214 . 11 1 1 A 25 25 GLY HA2 H 25 3.339 2.738 0.601 1
1 215 . 11 1 1 A 25 25 GLY HA3 H 25 2.763 2.743 0.020 1
1 216 . 11 1 1 A 25 25 GLY C C 25 176.648 175.862 0.786 1
1 217 . 11 1 1 A 26 26 SER CA C 26 60.443 62.548 -2.105 1
1 218 . 11 1 1 A 26 26 SER HA H 26 4.070 4.197 -0.127 1
1 219 . 11 1 1 A 26 26 SER CB C 26 61.509 62.768 -1.259 1
1 222 . 11 1 1 A 27 27 SER N N 27 117.119 117.531 -0.412 1
1 223 . 11 1 1 A 27 27 SER H H 27 6.975 8.016 -1.041 1
1 224 . 11 1 1 A 27 27 SER CA C 27 60.612 62.208 -1.596 1
1 225 . 11 1 1 A 27 27 SER HA H 27 4.193 4.041 0.152 1
1 226 . 11 1 1 A 27 27 SER CB C 27 62.516 63.151 -0.635 1
1 229 . 11 1 1 A 28 28 LEU N N 28 123.770 122.209 1.561 1
1 230 . 11 1 1 A 28 28 LEU H H 28 7.044 7.368 -0.324 1
1 231 . 11 1 1 A 28 28 LEU CA C 28 57.811 57.858 -0.047 1
1 232 . 11 1 1 A 28 28 LEU HA H 28 3.243 2.261 0.982 1
1 233 . 11 1 1 A 28 28 LEU CB C 28 40.095 41.717 -1.622 1
1 246 . 11 1 1 A 28 28 LEU C C 28 177.169 178.312 -1.143 1
1 247 . 11 1 1 A 29 29 THR N N 29 116.170 113.243 2.927 1
1 248 . 11 1 1 A 29 29 THR H H 29 8.074 7.474 0.600 1
1 249 . 11 1 1 A 29 29 THR CA C 29 66.661 66.611 0.050 1
1 250 . 11 1 1 A 29 29 THR HA H 29 3.920 3.839 0.081 1
1 251 . 11 1 1 A 29 29 THR CB C 29 68.519 68.353 0.166 1
1 257 . 11 1 1 A 29 29 THR C C 29 176.819 176.586 0.233 1
1 258 . 11 1 1 A 30 30 VAL N N 30 119.670 120.900 -1.230 1
1 259 . 11 1 1 A 30 30 VAL H H 30 7.348 7.986 -0.638 1
1 260 . 11 1 1 A 30 30 VAL CA C 30 66.447 66.019 0.428 1
1 261 . 11 1 1 A 30 30 VAL HA H 30 3.514 3.671 -0.157 1
1 262 . 11 1 1 A 30 30 VAL CB C 30 32.129 31.601 0.528 1
1 272 . 11 1 1 A 30 30 VAL C C 30 178.591 178.384 0.207 1
1 273 . 11 1 1 A 31 31 HIS N N 31 120.141 120.182 -0.041 1
1 274 . 11 1 1 A 31 31 HIS H H 31 7.568 7.896 -0.328 1
1 275 . 11 1 1 A 31 31 HIS CA C 31 59.358 59.076 0.282 1
1 276 . 11 1 1 A 31 31 HIS HA H 31 4.126 4.212 -0.086 1
1 277 . 11 1 1 A 31 31 HIS CB C 31 28.376 30.081 -1.705 1
1 284 . 11 1 1 A 31 31 HIS C C 31 176.177 177.248 -1.071 1
1 285 . 11 1 1 A 32 32 GLN N N 32 114.511 118.110 -3.599 1
1 286 . 11 1 1 A 32 32 GLN H H 32 8.405 8.407 -0.002 1
1 287 . 11 1 1 A 32 32 GLN CA C 32 59.401 58.636 0.765 1
1 288 . 11 1 1 A 32 32 GLN HA H 32 3.641 3.938 -0.297 1
1 289 . 11 1 1 A 32 32 GLN CB C 32 28.353 28.225 0.128 1
1 298 . 11 1 1 A 32 32 GLN C C 32 177.404 178.861 -1.457 1
1 299 . 11 1 1 A 33 33 ARG N N 33 117.508 119.455 -1.947 1
1 300 . 11 1 1 A 33 33 ARG H H 33 7.166 7.818 -0.652 1
1 301 . 11 1 1 A 33 33 ARG CA C 33 58.468 58.765 -0.297 1
1 302 . 11 1 1 A 33 33 ARG HA H 33 4.118 3.983 0.135 1
1 303 . 11 1 1 A 33 33 ARG CB C 33 30.021 29.882 0.139 1
1 312 . 11 1 1 A 33 33 ARG C C 33 178.686 178.711 -0.025 1
1 313 . 11 1 1 A 34 34 ILE N N 34 115.983 117.273 -1.290 1
1 314 . 11 1 1 A 34 34 ILE H H 34 7.823 7.317 0.506 1
1 315 . 11 1 1 A 34 34 ILE CA C 34 63.142 64.004 -0.862 1
1 316 . 11 1 1 A 34 34 ILE HA H 34 3.945 3.755 0.190 1
1 317 . 11 1 1 A 34 34 ILE CB C 34 37.712 36.836 0.876 1
1 330 . 11 1 1 A 34 34 ILE C C 34 177.354 177.466 -0.112 1
1 331 . 11 1 1 A 35 35 HIS N N 35 117.112 119.442 -2.330 1
1 332 . 11 1 1 A 35 35 HIS H H 35 7.179 7.863 -0.684 1
1 333 . 11 1 1 A 35 35 HIS CA C 35 54.859 58.199 -3.340 1
1 334 . 11 1 1 A 35 35 HIS HA H 35 4.905 4.439 0.466 1
1 335 . 11 1 1 A 35 35 HIS CB C 35 28.376 30.921 -2.545 1
1 342 . 11 1 1 A 35 35 HIS C C 35 175.680 175.337 0.343 1
1 343 . 11 1 1 A 36 36 THR N N 36 112.051 113.623 -1.572 1
1 344 . 11 1 1 A 36 36 THR H H 36 7.737 7.537 0.200 1
1 345 . 11 1 1 A 36 36 THR CA C 36 62.670 59.939 2.731 1
1 346 . 11 1 1 A 36 36 THR HA H 36 4.312 4.698 -0.386 1
1 347 . 11 1 1 A 36 36 THR CB C 36 69.743 71.785 -2.042 1
1 353 . 11 1 1 A 36 36 THR C C 36 175.483 173.225 2.258 1
1 354 . 11 1 1 A 37 37 GLY N N 37 110.845 114.313 -3.468 1
1 355 . 11 1 1 A 37 37 GLY H H 37 8.289 8.435 -0.146 1
1 356 . 11 1 1 A 37 37 GLY CA C 37 45.151 45.202 -0.051 1
1 357 . 11 1 1 A 37 37 GLY HA2 H 37 3.988 4.308 -0.320 1
1 358 . 11 1 1 A 37 37 GLY HA3 H 37 3.945 4.313 -0.368 1
1 359 . 11 1 1 A 37 37 GLY C C 37 174.025 172.279 1.746 1
1 360 . 11 1 1 A 38 38 GLU N N 38 120.598 120.193 0.405 1
1 361 . 11 1 1 A 38 38 GLU H H 38 8.039 8.530 -0.491 1
1 362 . 11 1 1 A 38 38 GLU CA C 38 56.442 55.130 1.312 1
1 363 . 11 1 1 A 38 38 GLU HA H 38 4.220 5.068 -0.848 1
1 364 . 11 1 1 A 38 38 GLU CB C 38 30.525 33.364 -2.839 1
1 370 . 11 1 1 A 38 38 GLU C C 38 176.246 174.483 1.763 1
1 371 . 11 1 1 A 39 39 LYS N N 39 123.884 125.674 -1.790 1
1 372 . 11 1 1 A 39 39 LYS H H 39 8.420 8.591 -0.171 1
1 373 . 11 1 1 A 39 39 LYS CA C 39 54.071 53.251 0.820 1
1 374 . 11 1 1 A 39 39 LYS HA H 39 4.590 4.812 -0.222 1
1 375 . 11 1 1 A 39 39 LYS CB C 39 32.486 33.388 -0.902 1
1 387 . 11 1 1 A 39 39 LYS C C 39 174.070 176.410 -2.340 1
1 388 . 11 1 1 A 40 40 PRO CA C 40 63.186 63.574 -0.388 1
1 389 . 11 1 1 A 40 40 PRO HA H 40 4.436 4.527 -0.091 1
1 390 . 11 1 1 A 40 40 PRO CB C 40 32.163 32.220 -0.057 1
1 399 . 11 1 1 A 41 41 SER N N 41 116.479 115.034 1.445 1
1 400 . 11 1 1 A 41 41 SER H H 41 8.459 7.707 0.752 1
1 401 . 11 1 1 A 41 41 SER CA C 41 58.355 57.668 0.687 1
1 402 . 11 1 1 A 41 41 SER HA H 41 4.461 4.347 0.114 1
1 403 . 11 1 1 A 41 41 SER CB C 41 63.936 64.525 -0.589 1
1 406 . 11 1 1 A 42 42 GLY N N 42 110.647 107.276 3.371 1
1 407 . 11 1 1 A 42 42 GLY H H 42 8.218 8.279 -0.061 1
1 408 . 11 1 1 A 42 42 GLY CA C 42 44.626 44.000 0.626 1
1 409 . 11 1 1 A 42 42 GLY HA2 H 42 4.134 4.166 -0.032 1
1 410 . 11 1 1 A 42 42 GLY HA3 H 42 4.086 4.166 -0.080 1
1 411 . 11 1 1 A 43 43 PRO CA C 43 63.176 62.701 0.475 1
1 412 . 11 1 1 A 43 43 PRO HA H 43 4.434 4.597 -0.163 1
1 413 . 11 1 1 A 43 43 PRO CB C 43 32.113 33.377 -1.264 1
1 422 . 11 1 1 A 44 44 SER N N 44 116.453 111.960 4.493 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.784 60.354 1.430 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.319 4.595 -0.276 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.847 70.566 -0.719 1
1 9 . 12 1 1 A 8 8 THR C C 8 175.419 174.122 1.297 1
1 10 . 12 1 1 A 9 9 GLY N N 9 110.845 114.067 -3.222 1
1 11 . 12 1 1 A 9 9 GLY H H 9 8.420 8.413 0.007 1
1 12 . 12 1 1 A 9 9 GLY CA C 9 45.170 45.376 -0.206 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.904 4.021 -0.117 1
1 14 . 12 1 1 A 9 9 GLY HA3 H 9 3.904 4.026 -0.122 1
1 15 . 12 1 1 A 9 9 GLY C C 9 174.056 173.687 0.369 1
1 16 . 12 1 1 A 10 10 GLU N N 10 120.245 118.946 1.299 1
1 17 . 12 1 1 A 10 10 GLU H H 10 8.182 7.874 0.308 1
1 18 . 12 1 1 A 10 10 GLU CA C 10 56.868 55.660 1.208 1
1 19 . 12 1 1 A 10 10 GLU HA H 10 4.130 4.686 -0.556 1
1 20 . 12 1 1 A 10 10 GLU CB C 10 30.270 32.933 -2.663 1
1 26 . 12 1 1 A 10 10 GLU C C 10 176.191 174.567 1.624 1
1 27 . 12 1 1 A 11 11 LYS N N 11 121.318 126.718 -5.400 1
1 28 . 12 1 1 A 11 11 LYS H H 11 8.244 8.446 -0.202 1
1 29 . 12 1 1 A 11 11 LYS CA C 11 53.800 55.297 -1.497 1
1 30 . 12 1 1 A 11 11 LYS HA H 11 4.483 4.265 0.218 1
1 31 . 12 1 1 A 11 11 LYS CB C 11 32.900 31.972 0.928 1
1 43 . 12 1 1 A 11 11 LYS C C 11 174.450 176.426 -1.976 1
1 44 . 12 1 1 A 12 12 PRO CA C 12 63.627 63.961 -0.334 1
1 45 . 12 1 1 A 12 12 PRO HA H 12 4.275 4.267 0.008 1
1 46 . 12 1 1 A 12 12 PRO CB C 12 32.265 31.230 1.035 1
1 55 . 12 1 1 A 12 12 PRO C C 12 176.363 175.647 0.716 1
1 56 . 12 1 1 A 13 13 TYR N N 13 118.698 118.430 0.268 1
1 57 . 12 1 1 A 13 13 TYR H H 13 7.867 7.549 0.318 1
1 58 . 12 1 1 A 13 13 TYR CA C 13 57.667 56.611 1.056 1
1 59 . 12 1 1 A 13 13 TYR HA H 13 4.544 5.190 -0.646 1
1 60 . 12 1 1 A 13 13 TYR CB C 13 38.526 40.212 -1.686 1
1 71 . 12 1 1 A 13 13 TYR C C 13 174.411 174.125 0.286 1
1 72 . 12 1 1 A 14 14 LYS N N 14 124.941 125.330 -0.389 1
1 73 . 12 1 1 A 14 14 LYS H H 14 8.654 9.067 -0.413 1
1 74 . 12 1 1 A 14 14 LYS CA C 14 54.893 54.447 0.446 1
1 75 . 12 1 1 A 14 14 LYS HA H 14 4.963 5.569 -0.606 1
1 76 . 12 1 1 A 14 14 LYS CB C 14 35.303 36.172 -0.869 1
1 88 . 12 1 1 A 14 14 LYS C C 14 175.030 174.930 0.100 1
1 89 . 12 1 1 A 15 15 CYS N N 15 126.764 124.393 2.371 1
1 90 . 12 1 1 A 15 15 CYS H H 15 9.018 9.423 -0.405 1
1 91 . 12 1 1 A 15 15 CYS CA C 15 59.556 59.718 -0.162 1
1 92 . 12 1 1 A 15 15 CYS HA H 15 4.477 4.544 -0.067 1
1 93 . 12 1 1 A 15 15 CYS CB C 15 29.711 28.984 0.727 1
1 96 . 12 1 1 A 15 15 CYS C C 15 176.438 175.011 1.427 1
1 97 . 12 1 1 A 16 16 ASP N N 16 130.452 125.002 5.450 1
1 98 . 12 1 1 A 16 16 ASP H H 16 9.146 9.181 -0.035 1
1 99 . 12 1 1 A 16 16 ASP CA C 16 56.059 54.589 1.470 1
1 100 . 12 1 1 A 16 16 ASP HA H 16 4.418 4.947 -0.529 1
1 101 . 12 1 1 A 16 16 ASP CB C 16 40.594 41.536 -0.942 1
1 104 . 12 1 1 A 16 16 ASP C C 16 175.426 176.607 -1.181 1
1 105 . 12 1 1 A 17 17 VAL N N 17 120.987 118.226 2.761 1
1 106 . 12 1 1 A 17 17 VAL H H 17 8.652 8.210 0.442 1
1 107 . 12 1 1 A 17 17 VAL CA C 17 64.823 63.710 1.113 1
1 108 . 12 1 1 A 17 17 VAL HA H 17 3.696 4.340 -0.644 1
1 109 . 12 1 1 A 17 17 VAL CB C 17 33.002 33.623 -0.621 1
1 119 . 12 1 1 A 17 17 VAL C C 17 176.458 176.851 -0.393 1
1 120 . 12 1 1 A 18 18 CYS N N 18 115.671 118.759 -3.088 1
1 121 . 12 1 1 A 18 18 CYS H H 18 7.886 8.025 -0.139 1
1 122 . 12 1 1 A 18 18 CYS CA C 18 57.837 58.223 -0.386 1
1 123 . 12 1 1 A 18 18 CYS HA H 18 4.894 4.535 0.359 1
1 124 . 12 1 1 A 18 18 CYS CB C 18 31.838 29.700 2.138 1
1 127 . 12 1 1 A 18 18 CYS C C 18 175.672 174.830 0.842 1
1 128 . 12 1 1 A 19 19 HIS N N 19 116.359 115.211 1.148 1
1 129 . 12 1 1 A 19 19 HIS H H 19 7.660 8.336 -0.676 1
1 130 . 12 1 1 A 19 19 HIS CA C 19 57.841 56.860 0.981 1
1 131 . 12 1 1 A 19 19 HIS HA H 19 4.496 4.296 0.200 1
1 132 . 12 1 1 A 19 19 HIS CB C 19 27.348 26.657 0.691 1
1 139 . 12 1 1 A 19 19 HIS C C 19 174.238 174.191 0.047 1
1 140 . 12 1 1 A 20 20 LYS N N 20 122.372 118.860 3.512 1
1 141 . 12 1 1 A 20 20 LYS H H 20 7.838 7.887 -0.049 1
1 142 . 12 1 1 A 20 20 LYS CA C 20 57.897 55.209 2.688 1
1 143 . 12 1 1 A 20 20 LYS HA H 20 4.131 4.216 -0.085 1
1 144 . 12 1 1 A 20 20 LYS CB C 20 34.042 32.596 1.446 1
1 156 . 12 1 1 A 20 20 LYS C C 20 174.512 175.836 -1.324 1
1 157 . 12 1 1 A 21 21 SER N N 21 115.643 120.548 -4.905 1
1 158 . 12 1 1 A 21 21 SER H H 21 7.862 8.415 -0.553 1
1 159 . 12 1 1 A 21 21 SER CA C 21 56.970 58.237 -1.267 1
1 160 . 12 1 1 A 21 21 SER HA H 21 5.289 4.403 0.886 1
1 161 . 12 1 1 A 21 21 SER CB C 21 66.008 64.165 1.843 1
1 164 . 12 1 1 A 21 21 SER C C 21 173.011 174.135 -1.124 1
1 165 . 12 1 1 A 22 22 PHE N N 22 117.902 119.290 -1.388 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.876 8.920 -0.044 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.348 56.379 0.969 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.673 5.061 -0.388 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 43.619 41.065 2.554 1
1 182 . 12 1 1 A 22 22 PHE C C 22 174.751 175.831 -1.080 1
1 183 . 12 1 1 A 23 23 ARG CA C 23 58.414 58.864 -0.450 1
1 184 . 12 1 1 A 23 23 ARG HA H 23 4.207 4.039 0.168 1
1 185 . 12 1 1 A 23 23 ARG CB C 23 31.078 30.423 0.655 1
1 194 . 12 1 1 A 23 23 ARG C C 23 175.172 175.234 -0.062 1
1 195 . 12 1 1 A 24 24 TYR N N 24 112.481 117.303 -4.822 1
1 196 . 12 1 1 A 24 24 TYR H H 24 7.392 8.283 -0.891 1
1 197 . 12 1 1 A 24 24 TYR CA C 24 55.424 56.565 -1.141 1
1 198 . 12 1 1 A 24 24 TYR HA H 24 4.990 4.977 0.013 1
1 199 . 12 1 1 A 24 24 TYR CB C 24 41.056 40.865 0.191 1
1 210 . 12 1 1 A 24 24 TYR C C 24 176.547 176.317 0.230 1
1 211 . 12 1 1 A 25 25 GLY N N 25 113.229 112.135 1.094 1
1 212 . 12 1 1 A 25 25 GLY H H 25 8.444 8.268 0.176 1
1 213 . 12 1 1 A 25 25 GLY CA C 25 46.807 46.746 0.061 1
1 214 . 12 1 1 A 25 25 GLY HA2 H 25 3.339 2.797 0.542 1
1 215 . 12 1 1 A 25 25 GLY HA3 H 25 2.763 2.996 -0.233 1
1 216 . 12 1 1 A 25 25 GLY C C 25 176.648 175.776 0.872 1
1 217 . 12 1 1 A 26 26 SER CA C 26 60.443 62.567 -2.124 1
1 218 . 12 1 1 A 26 26 SER HA H 26 4.070 4.139 -0.069 1
1 219 . 12 1 1 A 26 26 SER CB C 26 61.509 62.790 -1.281 1
1 222 . 12 1 1 A 27 27 SER N N 27 117.119 117.777 -0.658 1
1 223 . 12 1 1 A 27 27 SER H H 27 6.975 8.046 -1.071 1
1 224 . 12 1 1 A 27 27 SER CA C 27 60.612 62.173 -1.561 1
1 225 . 12 1 1 A 27 27 SER HA H 27 4.193 4.003 0.190 1
1 226 . 12 1 1 A 27 27 SER CB C 27 62.516 63.035 -0.519 1
1 229 . 12 1 1 A 28 28 LEU N N 28 123.770 122.264 1.506 1
1 230 . 12 1 1 A 28 28 LEU H H 28 7.044 7.372 -0.328 1
1 231 . 12 1 1 A 28 28 LEU CA C 28 57.811 57.955 -0.144 1
1 232 . 12 1 1 A 28 28 LEU HA H 28 3.243 2.307 0.936 1
1 233 . 12 1 1 A 28 28 LEU CB C 28 40.095 41.623 -1.528 1
1 246 . 12 1 1 A 28 28 LEU C C 28 177.169 178.348 -1.179 1
1 247 . 12 1 1 A 29 29 THR N N 29 116.170 113.505 2.665 1
1 248 . 12 1 1 A 29 29 THR H H 29 8.074 7.396 0.678 1
1 249 . 12 1 1 A 29 29 THR CA C 29 66.661 66.624 0.037 1
1 250 . 12 1 1 A 29 29 THR HA H 29 3.920 3.848 0.072 1
1 251 . 12 1 1 A 29 29 THR CB C 29 68.519 68.348 0.171 1
1 257 . 12 1 1 A 29 29 THR C C 29 176.819 176.696 0.123 1
1 258 . 12 1 1 A 30 30 VAL N N 30 119.670 120.905 -1.235 1
1 259 . 12 1 1 A 30 30 VAL H H 30 7.348 7.961 -0.613 1
1 260 . 12 1 1 A 30 30 VAL CA C 30 66.447 66.023 0.424 1
1 261 . 12 1 1 A 30 30 VAL HA H 30 3.514 3.662 -0.148 1
1 262 . 12 1 1 A 30 30 VAL CB C 30 32.129 31.605 0.524 1
1 272 . 12 1 1 A 30 30 VAL C C 30 178.591 178.346 0.245 1
1 273 . 12 1 1 A 31 31 HIS N N 31 120.141 120.358 -0.217 1
1 274 . 12 1 1 A 31 31 HIS H H 31 7.568 7.979 -0.411 1
1 275 . 12 1 1 A 31 31 HIS CA C 31 59.358 58.922 0.436 1
1 276 . 12 1 1 A 31 31 HIS HA H 31 4.126 4.166 -0.040 1
1 277 . 12 1 1 A 31 31 HIS CB C 31 28.376 30.023 -1.647 1
1 284 . 12 1 1 A 31 31 HIS C C 31 176.177 177.286 -1.109 1
1 285 . 12 1 1 A 32 32 GLN N N 32 114.511 118.264 -3.753 1
1 286 . 12 1 1 A 32 32 GLN H H 32 8.405 8.471 -0.066 1
1 287 . 12 1 1 A 32 32 GLN CA C 32 59.401 58.793 0.608 1
1 288 . 12 1 1 A 32 32 GLN HA H 32 3.641 3.919 -0.278 1
1 289 . 12 1 1 A 32 32 GLN CB C 32 28.353 28.305 0.048 1
1 298 . 12 1 1 A 32 32 GLN C C 32 177.404 178.863 -1.459 1
1 299 . 12 1 1 A 33 33 ARG N N 33 117.508 119.461 -1.953 1
1 300 . 12 1 1 A 33 33 ARG H H 33 7.166 7.768 -0.602 1
1 301 . 12 1 1 A 33 33 ARG CA C 33 58.468 58.839 -0.371 1
1 302 . 12 1 1 A 33 33 ARG HA H 33 4.118 3.991 0.127 1
1 303 . 12 1 1 A 33 33 ARG CB C 33 30.021 29.842 0.179 1
1 312 . 12 1 1 A 33 33 ARG C C 33 178.686 178.723 -0.037 1
1 313 . 12 1 1 A 34 34 ILE N N 34 115.983 117.263 -1.280 1
1 314 . 12 1 1 A 34 34 ILE H H 34 7.823 7.368 0.455 1
1 315 . 12 1 1 A 34 34 ILE CA C 34 63.142 63.996 -0.854 1
1 316 . 12 1 1 A 34 34 ILE HA H 34 3.945 3.754 0.191 1
1 317 . 12 1 1 A 34 34 ILE CB C 34 37.712 36.888 0.824 1
1 330 . 12 1 1 A 34 34 ILE C C 34 177.354 177.497 -0.143 1
1 331 . 12 1 1 A 35 35 HIS N N 35 117.112 119.937 -2.825 1
1 332 . 12 1 1 A 35 35 HIS H H 35 7.179 8.045 -0.866 1
1 333 . 12 1 1 A 35 35 HIS CA C 35 54.859 58.910 -4.051 1
1 334 . 12 1 1 A 35 35 HIS HA H 35 4.905 4.417 0.488 1
1 335 . 12 1 1 A 35 35 HIS CB C 35 28.376 30.498 -2.122 1
1 342 . 12 1 1 A 35 35 HIS C C 35 175.680 175.960 -0.280 1
1 343 . 12 1 1 A 36 36 THR N N 36 112.051 113.013 -0.962 1
1 344 . 12 1 1 A 36 36 THR H H 36 7.737 7.403 0.334 1
1 345 . 12 1 1 A 36 36 THR CA C 36 62.670 61.350 1.320 1
1 346 . 12 1 1 A 36 36 THR HA H 36 4.312 4.489 -0.177 1
1 347 . 12 1 1 A 36 36 THR CB C 36 69.743 69.366 0.377 1
1 353 . 12 1 1 A 36 36 THR C C 36 175.483 175.755 -0.272 1
1 354 . 12 1 1 A 37 37 GLY N N 37 110.845 112.129 -1.284 1
1 355 . 12 1 1 A 37 37 GLY H H 37 8.289 8.539 -0.250 1
1 356 . 12 1 1 A 37 37 GLY CA C 37 45.151 46.905 -1.754 1
1 357 . 12 1 1 A 37 37 GLY HA2 H 37 3.988 3.814 0.174 1
1 358 . 12 1 1 A 37 37 GLY HA3 H 37 3.945 3.816 0.129 1
1 359 . 12 1 1 A 37 37 GLY C C 37 174.025 174.547 -0.522 1
1 360 . 12 1 1 A 38 38 GLU N N 38 120.598 113.113 7.485 1
1 361 . 12 1 1 A 38 38 GLU H H 38 8.039 7.806 0.233 1
1 362 . 12 1 1 A 38 38 GLU CA C 38 56.442 54.638 1.804 1
1 363 . 12 1 1 A 38 38 GLU HA H 38 4.220 4.898 -0.678 1
1 364 . 12 1 1 A 38 38 GLU CB C 38 30.525 32.759 -2.234 1
1 370 . 12 1 1 A 38 38 GLU C C 38 176.246 173.770 2.476 1
1 371 . 12 1 1 A 39 39 LYS N N 39 123.884 123.491 0.393 1
1 372 . 12 1 1 A 39 39 LYS H H 39 8.420 9.011 -0.591 1
1 373 . 12 1 1 A 39 39 LYS CA C 39 54.071 52.879 1.192 1
1 374 . 12 1 1 A 39 39 LYS HA H 39 4.590 4.888 -0.298 1
1 375 . 12 1 1 A 39 39 LYS CB C 39 32.486 35.569 -3.083 1
1 387 . 12 1 1 A 39 39 LYS C C 39 174.070 174.413 -0.343 1
1 388 . 12 1 1 A 40 40 PRO CA C 40 63.186 62.488 0.698 1
1 389 . 12 1 1 A 40 40 PRO HA H 40 4.436 4.681 -0.245 1
1 390 . 12 1 1 A 40 40 PRO CB C 40 32.163 31.533 0.630 1
1 399 . 12 1 1 A 41 41 SER N N 41 116.479 119.201 -2.722 1
1 400 . 12 1 1 A 41 41 SER H H 41 8.459 8.588 -0.129 1
1 401 . 12 1 1 A 41 41 SER CA C 41 58.355 58.256 0.099 1
1 402 . 12 1 1 A 41 41 SER HA H 41 4.461 4.609 -0.148 1
1 403 . 12 1 1 A 41 41 SER CB C 41 63.936 62.088 1.848 1
1 406 . 12 1 1 A 42 42 GLY N N 42 110.647 109.149 1.498 1
1 407 . 12 1 1 A 42 42 GLY H H 42 8.218 8.373 -0.155 1
1 408 . 12 1 1 A 42 42 GLY CA C 42 44.626 43.791 0.835 1
1 409 . 12 1 1 A 42 42 GLY HA2 H 42 4.134 4.131 0.003 1
1 410 . 12 1 1 A 42 42 GLY HA3 H 42 4.086 4.131 -0.045 1
1 411 . 12 1 1 A 43 43 PRO CA C 43 63.176 64.121 -0.945 1
1 412 . 12 1 1 A 43 43 PRO HA H 43 4.434 4.433 0.001 1
1 413 . 12 1 1 A 43 43 PRO CB C 43 32.113 31.455 0.658 1
1 422 . 12 1 1 A 44 44 SER N N 44 116.453 115.444 1.009 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.784 59.967 1.817 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.319 5.017 -0.698 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.847 72.203 -2.356 1
1 9 . 13 1 1 A 8 8 THR C C 8 175.419 172.524 2.895 1
1 10 . 13 1 1 A 9 9 GLY N N 9 110.845 114.833 -3.988 1
1 11 . 13 1 1 A 9 9 GLY H H 9 8.420 8.608 -0.188 1
1 12 . 13 1 1 A 9 9 GLY CA C 9 45.170 44.454 0.716 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.904 4.033 -0.129 1
1 14 . 13 1 1 A 9 9 GLY HA3 H 9 3.904 4.034 -0.130 1
1 15 . 13 1 1 A 9 9 GLY C C 9 174.056 172.362 1.694 1
1 16 . 13 1 1 A 10 10 GLU N N 10 120.245 121.235 -0.990 1
1 17 . 13 1 1 A 10 10 GLU H H 10 8.182 8.462 -0.280 1
1 18 . 13 1 1 A 10 10 GLU CA C 10 56.868 54.779 2.089 1
1 19 . 13 1 1 A 10 10 GLU HA H 10 4.130 5.113 -0.983 1
1 20 . 13 1 1 A 10 10 GLU CB C 10 30.270 33.299 -3.029 1
1 26 . 13 1 1 A 10 10 GLU C C 10 176.191 175.269 0.922 1
1 27 . 13 1 1 A 11 11 LYS N N 11 121.318 126.048 -4.730 1
1 28 . 13 1 1 A 11 11 LYS H H 11 8.244 8.754 -0.510 1
1 29 . 13 1 1 A 11 11 LYS CA C 11 53.800 53.949 -0.149 1
1 30 . 13 1 1 A 11 11 LYS HA H 11 4.483 4.575 -0.092 1
1 31 . 13 1 1 A 11 11 LYS CB C 11 32.900 31.762 1.138 1
1 43 . 13 1 1 A 11 11 LYS C C 11 174.450 176.297 -1.847 1
1 44 . 13 1 1 A 12 12 PRO CA C 12 63.627 63.968 -0.341 1
1 45 . 13 1 1 A 12 12 PRO HA H 12 4.275 4.278 -0.003 1
1 46 . 13 1 1 A 12 12 PRO CB C 12 32.265 31.245 1.020 1
1 55 . 13 1 1 A 12 12 PRO C C 12 176.363 175.721 0.642 1
1 56 . 13 1 1 A 13 13 TYR N N 13 118.698 118.481 0.217 1
1 57 . 13 1 1 A 13 13 TYR H H 13 7.867 7.599 0.268 1
1 58 . 13 1 1 A 13 13 TYR CA C 13 57.667 56.575 1.092 1
1 59 . 13 1 1 A 13 13 TYR HA H 13 4.544 5.152 -0.608 1
1 60 . 13 1 1 A 13 13 TYR CB C 13 38.526 40.177 -1.651 1
1 71 . 13 1 1 A 13 13 TYR C C 13 174.411 174.099 0.312 1
1 72 . 13 1 1 A 14 14 LYS N N 14 124.941 125.532 -0.591 1
1 73 . 13 1 1 A 14 14 LYS H H 14 8.654 9.104 -0.450 1
1 74 . 13 1 1 A 14 14 LYS CA C 14 54.893 54.390 0.503 1
1 75 . 13 1 1 A 14 14 LYS HA H 14 4.963 5.535 -0.572 1
1 76 . 13 1 1 A 14 14 LYS CB C 14 35.303 35.910 -0.607 1
1 88 . 13 1 1 A 14 14 LYS C C 14 175.030 175.098 -0.068 1
1 89 . 13 1 1 A 15 15 CYS N N 15 126.764 124.411 2.353 1
1 90 . 13 1 1 A 15 15 CYS H H 15 9.018 9.440 -0.422 1
1 91 . 13 1 1 A 15 15 CYS CA C 15 59.556 59.861 -0.305 1
1 92 . 13 1 1 A 15 15 CYS HA H 15 4.477 4.498 -0.021 1
1 93 . 13 1 1 A 15 15 CYS CB C 15 29.711 28.838 0.873 1
1 96 . 13 1 1 A 15 15 CYS C C 15 176.438 175.408 1.030 1
1 97 . 13 1 1 A 16 16 ASP N N 16 130.452 124.971 5.481 1
1 98 . 13 1 1 A 16 16 ASP H H 16 9.146 9.056 0.090 1
1 99 . 13 1 1 A 16 16 ASP CA C 16 56.059 53.272 2.787 1
1 100 . 13 1 1 A 16 16 ASP HA H 16 4.418 4.925 -0.507 1
1 101 . 13 1 1 A 16 16 ASP CB C 16 40.594 41.305 -0.711 1
1 104 . 13 1 1 A 16 16 ASP C C 16 175.426 176.913 -1.487 1
1 105 . 13 1 1 A 17 17 VAL N N 17 120.987 118.158 2.829 1
1 106 . 13 1 1 A 17 17 VAL H H 17 8.652 8.209 0.443 1
1 107 . 13 1 1 A 17 17 VAL CA C 17 64.823 63.140 1.683 1
1 108 . 13 1 1 A 17 17 VAL HA H 17 3.696 4.438 -0.742 1
1 109 . 13 1 1 A 17 17 VAL CB C 17 33.002 34.301 -1.299 1
1 119 . 13 1 1 A 17 17 VAL C C 17 176.458 176.796 -0.338 1
1 120 . 13 1 1 A 18 18 CYS N N 18 115.671 118.609 -2.938 1
1 121 . 13 1 1 A 18 18 CYS H H 18 7.886 8.079 -0.193 1
1 122 . 13 1 1 A 18 18 CYS CA C 18 57.837 58.219 -0.382 1
1 123 . 13 1 1 A 18 18 CYS HA H 18 4.894 4.538 0.356 1
1 124 . 13 1 1 A 18 18 CYS CB C 18 31.838 29.697 2.141 1
1 127 . 13 1 1 A 18 18 CYS C C 18 175.672 174.915 0.757 1
1 128 . 13 1 1 A 19 19 HIS N N 19 116.359 115.202 1.157 1
1 129 . 13 1 1 A 19 19 HIS H H 19 7.660 8.351 -0.691 1
1 130 . 13 1 1 A 19 19 HIS CA C 19 57.841 56.876 0.965 1
1 131 . 13 1 1 A 19 19 HIS HA H 19 4.496 4.257 0.239 1
1 132 . 13 1 1 A 19 19 HIS CB C 19 27.348 26.651 0.697 1
1 139 . 13 1 1 A 19 19 HIS C C 19 174.238 174.141 0.097 1
1 140 . 13 1 1 A 20 20 LYS N N 20 122.372 118.842 3.530 1
1 141 . 13 1 1 A 20 20 LYS H H 20 7.838 7.894 -0.056 1
1 142 . 13 1 1 A 20 20 LYS CA C 20 57.897 55.321 2.576 1
1 143 . 13 1 1 A 20 20 LYS HA H 20 4.131 4.236 -0.105 1
1 144 . 13 1 1 A 20 20 LYS CB C 20 34.042 32.792 1.250 1
1 156 . 13 1 1 A 20 20 LYS C C 20 174.512 175.930 -1.418 1
1 157 . 13 1 1 A 21 21 SER N N 21 115.643 120.597 -4.954 1
1 158 . 13 1 1 A 21 21 SER H H 21 7.862 8.412 -0.550 1
1 159 . 13 1 1 A 21 21 SER CA C 21 56.970 58.221 -1.251 1
1 160 . 13 1 1 A 21 21 SER HA H 21 5.289 4.423 0.866 1
1 161 . 13 1 1 A 21 21 SER CB C 21 66.008 64.183 1.825 1
1 164 . 13 1 1 A 21 21 SER C C 21 173.011 174.139 -1.128 1
1 165 . 13 1 1 A 22 22 PHE N N 22 117.902 119.338 -1.436 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.876 8.993 -0.117 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.348 56.367 0.981 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.673 5.053 -0.380 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 43.619 40.937 2.682 1
1 182 . 13 1 1 A 22 22 PHE C C 22 174.751 175.952 -1.201 1
1 183 . 13 1 1 A 23 23 ARG CA C 23 58.414 58.690 -0.276 1
1 184 . 13 1 1 A 23 23 ARG HA H 23 4.207 4.110 0.097 1
1 185 . 13 1 1 A 23 23 ARG CB C 23 31.078 30.561 0.517 1
1 194 . 13 1 1 A 23 23 ARG C C 23 175.172 175.414 -0.242 1
1 195 . 13 1 1 A 24 24 TYR N N 24 112.481 117.604 -5.123 1
1 196 . 13 1 1 A 24 24 TYR H H 24 7.392 8.302 -0.910 1
1 197 . 13 1 1 A 24 24 TYR CA C 24 55.424 56.507 -1.083 1
1 198 . 13 1 1 A 24 24 TYR HA H 24 4.990 4.992 -0.002 1
1 199 . 13 1 1 A 24 24 TYR CB C 24 41.056 40.659 0.397 1
1 210 . 13 1 1 A 24 24 TYR C C 24 176.547 176.327 0.220 1
1 211 . 13 1 1 A 25 25 GLY N N 25 113.229 112.150 1.079 1
1 212 . 13 1 1 A 25 25 GLY H H 25 8.444 8.333 0.111 1
1 213 . 13 1 1 A 25 25 GLY CA C 25 46.807 46.801 0.006 1
1 214 . 13 1 1 A 25 25 GLY HA2 H 25 3.339 2.845 0.494 1
1 215 . 13 1 1 A 25 25 GLY HA3 H 25 2.763 2.956 -0.193 1
1 216 . 13 1 1 A 25 25 GLY C C 25 176.648 175.642 1.006 1
1 217 . 13 1 1 A 26 26 SER CA C 26 60.443 61.342 -0.899 1
1 218 . 13 1 1 A 26 26 SER HA H 26 4.070 4.051 0.019 1
1 219 . 13 1 1 A 26 26 SER CB C 26 61.509 62.846 -1.337 1
1 222 . 13 1 1 A 27 27 SER N N 27 117.119 117.254 -0.135 1
1 223 . 13 1 1 A 27 27 SER H H 27 6.975 8.035 -1.060 1
1 224 . 13 1 1 A 27 27 SER CA C 27 60.612 62.219 -1.607 1
1 225 . 13 1 1 A 27 27 SER HA H 27 4.193 4.042 0.151 1
1 226 . 13 1 1 A 27 27 SER CB C 27 62.516 63.180 -0.664 1
1 229 . 13 1 1 A 28 28 LEU N N 28 123.770 122.352 1.418 1
1 230 . 13 1 1 A 28 28 LEU H H 28 7.044 7.446 -0.402 1
1 231 . 13 1 1 A 28 28 LEU CA C 28 57.811 57.760 0.051 1
1 232 . 13 1 1 A 28 28 LEU HA H 28 3.243 2.245 0.998 1
1 233 . 13 1 1 A 28 28 LEU CB C 28 40.095 41.690 -1.595 1
1 246 . 13 1 1 A 28 28 LEU C C 28 177.169 178.374 -1.205 1
1 247 . 13 1 1 A 29 29 THR N N 29 116.170 113.442 2.728 1
1 248 . 13 1 1 A 29 29 THR H H 29 8.074 7.447 0.627 1
1 249 . 13 1 1 A 29 29 THR CA C 29 66.661 66.612 0.049 1
1 250 . 13 1 1 A 29 29 THR HA H 29 3.920 3.840 0.080 1
1 251 . 13 1 1 A 29 29 THR CB C 29 68.519 68.496 0.023 1
1 257 . 13 1 1 A 29 29 THR C C 29 176.819 176.704 0.115 1
1 258 . 13 1 1 A 30 30 VAL N N 30 119.670 120.958 -1.288 1
1 259 . 13 1 1 A 30 30 VAL H H 30 7.348 8.014 -0.666 1
1 260 . 13 1 1 A 30 30 VAL CA C 30 66.447 65.906 0.541 1
1 261 . 13 1 1 A 30 30 VAL HA H 30 3.514 3.741 -0.227 1
1 262 . 13 1 1 A 30 30 VAL CB C 30 32.129 31.599 0.530 1
1 272 . 13 1 1 A 30 30 VAL C C 30 178.591 178.282 0.309 1
1 273 . 13 1 1 A 31 31 HIS N N 31 120.141 120.761 -0.620 1
1 274 . 13 1 1 A 31 31 HIS H H 31 7.568 7.941 -0.373 1
1 275 . 13 1 1 A 31 31 HIS CA C 31 59.358 58.990 0.368 1
1 276 . 13 1 1 A 31 31 HIS HA H 31 4.126 4.228 -0.102 1
1 277 . 13 1 1 A 31 31 HIS CB C 31 28.376 30.047 -1.671 1
1 284 . 13 1 1 A 31 31 HIS C C 31 176.177 177.290 -1.113 1
1 285 . 13 1 1 A 32 32 GLN N N 32 114.511 118.236 -3.725 1
1 286 . 13 1 1 A 32 32 GLN H H 32 8.405 8.396 0.009 1
1 287 . 13 1 1 A 32 32 GLN CA C 32 59.401 58.603 0.798 1
1 288 . 13 1 1 A 32 32 GLN HA H 32 3.641 3.994 -0.353 1
1 289 . 13 1 1 A 32 32 GLN CB C 32 28.353 28.208 0.145 1
1 298 . 13 1 1 A 32 32 GLN C C 32 177.404 178.761 -1.357 1
1 299 . 13 1 1 A 33 33 ARG N N 33 117.508 119.374 -1.866 1
1 300 . 13 1 1 A 33 33 ARG H H 33 7.166 7.678 -0.512 1
1 301 . 13 1 1 A 33 33 ARG CA C 33 58.468 58.938 -0.470 1
1 302 . 13 1 1 A 33 33 ARG HA H 33 4.118 4.005 0.113 1
1 303 . 13 1 1 A 33 33 ARG CB C 33 30.021 29.886 0.135 1
1 312 . 13 1 1 A 33 33 ARG C C 33 178.686 179.007 -0.321 1
1 313 . 13 1 1 A 34 34 ILE N N 34 115.983 117.185 -1.202 1
1 314 . 13 1 1 A 34 34 ILE H H 34 7.823 7.257 0.566 1
1 315 . 13 1 1 A 34 34 ILE CA C 34 63.142 63.806 -0.664 1
1 316 . 13 1 1 A 34 34 ILE HA H 34 3.945 3.817 0.128 1
1 317 . 13 1 1 A 34 34 ILE CB C 34 37.712 36.882 0.830 1
1 330 . 13 1 1 A 34 34 ILE C C 34 177.354 177.088 0.266 1
1 331 . 13 1 1 A 35 35 HIS N N 35 117.112 119.503 -2.391 1
1 332 . 13 1 1 A 35 35 HIS H H 35 7.179 7.855 -0.676 1
1 333 . 13 1 1 A 35 35 HIS CA C 35 54.859 57.680 -2.821 1
1 334 . 13 1 1 A 35 35 HIS HA H 35 4.905 4.488 0.417 1
1 335 . 13 1 1 A 35 35 HIS CB C 35 28.376 30.780 -2.404 1
1 342 . 13 1 1 A 35 35 HIS C C 35 175.680 175.367 0.313 1
1 343 . 13 1 1 A 36 36 THR N N 36 112.051 113.476 -1.425 1
1 344 . 13 1 1 A 36 36 THR H H 36 7.737 7.751 -0.014 1
1 345 . 13 1 1 A 36 36 THR CA C 36 62.670 60.142 2.528 1
1 346 . 13 1 1 A 36 36 THR HA H 36 4.312 4.621 -0.309 1
1 347 . 13 1 1 A 36 36 THR CB C 36 69.743 71.424 -1.681 1
1 353 . 13 1 1 A 36 36 THR C C 36 175.483 174.999 0.484 1
1 354 . 13 1 1 A 37 37 GLY N N 37 110.845 116.132 -5.287 1
1 355 . 13 1 1 A 37 37 GLY H H 37 8.289 8.660 -0.371 1
1 356 . 13 1 1 A 37 37 GLY CA C 37 45.151 45.731 -0.580 1
1 357 . 13 1 1 A 37 37 GLY HA2 H 37 3.988 3.977 0.011 1
1 358 . 13 1 1 A 37 37 GLY HA3 H 37 3.945 3.983 -0.038 1
1 359 . 13 1 1 A 37 37 GLY C C 37 174.025 173.785 0.240 1
1 360 . 13 1 1 A 38 38 GLU N N 38 120.598 121.749 -1.151 1
1 361 . 13 1 1 A 38 38 GLU H H 38 8.039 7.871 0.168 1
1 362 . 13 1 1 A 38 38 GLU CA C 38 56.442 54.761 1.681 1
1 363 . 13 1 1 A 38 38 GLU HA H 38 4.220 4.655 -0.435 1
1 364 . 13 1 1 A 38 38 GLU CB C 38 30.525 32.019 -1.494 1
1 370 . 13 1 1 A 38 38 GLU C C 38 176.246 175.543 0.703 1
1 371 . 13 1 1 A 39 39 LYS N N 39 123.884 126.143 -2.259 1
1 372 . 13 1 1 A 39 39 LYS H H 39 8.420 8.527 -0.107 1
1 373 . 13 1 1 A 39 39 LYS CA C 39 54.071 53.731 0.340 1
1 374 . 13 1 1 A 39 39 LYS HA H 39 4.590 4.571 0.019 1
1 375 . 13 1 1 A 39 39 LYS CB C 39 32.486 33.053 -0.567 1
1 387 . 13 1 1 A 39 39 LYS C C 39 174.070 175.252 -1.182 1
1 388 . 13 1 1 A 40 40 PRO CA C 40 63.186 62.537 0.649 1
1 389 . 13 1 1 A 40 40 PRO HA H 40 4.436 4.522 -0.086 1
1 390 . 13 1 1 A 40 40 PRO CB C 40 32.163 32.196 -0.033 1
1 399 . 13 1 1 A 41 41 SER N N 41 116.479 114.331 2.148 1
1 400 . 13 1 1 A 41 41 SER H H 41 8.459 8.491 -0.032 1
1 401 . 13 1 1 A 41 41 SER CA C 41 58.355 56.998 1.357 1
1 402 . 13 1 1 A 41 41 SER HA H 41 4.461 4.927 -0.466 1
1 403 . 13 1 1 A 41 41 SER CB C 41 63.936 65.393 -1.457 1
1 406 . 13 1 1 A 42 42 GLY N N 42 110.647 107.609 3.038 1
1 407 . 13 1 1 A 42 42 GLY H H 42 8.218 8.268 -0.050 1
1 408 . 13 1 1 A 42 42 GLY CA C 42 44.626 45.480 -0.854 1
1 409 . 13 1 1 A 42 42 GLY HA2 H 42 4.134 4.242 -0.108 1
1 410 . 13 1 1 A 42 42 GLY HA3 H 42 4.086 4.244 -0.158 1
1 411 . 13 1 1 A 43 43 PRO CA C 43 63.176 62.338 0.838 1
1 412 . 13 1 1 A 43 43 PRO HA H 43 4.434 4.669 -0.235 1
1 413 . 13 1 1 A 43 43 PRO CB C 43 32.113 29.857 2.256 1
1 422 . 13 1 1 A 44 44 SER N N 44 116.453 120.301 -3.848 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.784 63.014 -1.230 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.319 4.483 -0.164 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.847 70.734 -0.887 1
1 9 . 14 1 1 A 8 8 THR C C 8 175.419 174.221 1.198 1
1 10 . 14 1 1 A 9 9 GLY N N 9 110.845 108.520 2.325 1
1 11 . 14 1 1 A 9 9 GLY H H 9 8.420 7.483 0.937 1
1 12 . 14 1 1 A 9 9 GLY CA C 9 45.170 45.863 -0.693 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.904 3.992 -0.088 1
1 14 . 14 1 1 A 9 9 GLY HA3 H 9 3.904 3.994 -0.090 1
1 15 . 14 1 1 A 9 9 GLY C C 9 174.056 171.406 2.650 1
1 16 . 14 1 1 A 10 10 GLU N N 10 120.245 120.542 -0.297 1
1 17 . 14 1 1 A 10 10 GLU H H 10 8.182 8.589 -0.407 1
1 18 . 14 1 1 A 10 10 GLU CA C 10 56.868 55.106 1.762 1
1 19 . 14 1 1 A 10 10 GLU HA H 10 4.130 4.944 -0.814 1
1 20 . 14 1 1 A 10 10 GLU CB C 10 30.270 32.876 -2.606 1
1 26 . 14 1 1 A 10 10 GLU C C 10 176.191 175.229 0.962 1
1 27 . 14 1 1 A 11 11 LYS N N 11 121.318 124.455 -3.137 1
1 28 . 14 1 1 A 11 11 LYS H H 11 8.244 8.696 -0.452 1
1 29 . 14 1 1 A 11 11 LYS CA C 11 53.800 52.262 1.538 1
1 30 . 14 1 1 A 11 11 LYS HA H 11 4.483 4.813 -0.330 1
1 31 . 14 1 1 A 11 11 LYS CB C 11 32.900 33.641 -0.741 1
1 43 . 14 1 1 A 11 11 LYS C C 11 174.450 175.930 -1.480 1
1 44 . 14 1 1 A 12 12 PRO CA C 12 63.627 63.888 -0.261 1
1 45 . 14 1 1 A 12 12 PRO HA H 12 4.275 4.294 -0.019 1
1 46 . 14 1 1 A 12 12 PRO CB C 12 32.265 31.254 1.011 1
1 55 . 14 1 1 A 12 12 PRO C C 12 176.363 175.727 0.636 1
1 56 . 14 1 1 A 13 13 TYR N N 13 118.698 118.448 0.250 1
1 57 . 14 1 1 A 13 13 TYR H H 13 7.867 7.528 0.339 1
1 58 . 14 1 1 A 13 13 TYR CA C 13 57.667 56.630 1.037 1
1 59 . 14 1 1 A 13 13 TYR HA H 13 4.544 5.208 -0.664 1
1 60 . 14 1 1 A 13 13 TYR CB C 13 38.526 40.438 -1.912 1
1 71 . 14 1 1 A 13 13 TYR C C 13 174.411 174.146 0.265 1
1 72 . 14 1 1 A 14 14 LYS N N 14 124.941 125.326 -0.385 1
1 73 . 14 1 1 A 14 14 LYS H H 14 8.654 9.088 -0.434 1
1 74 . 14 1 1 A 14 14 LYS CA C 14 54.893 54.571 0.322 1
1 75 . 14 1 1 A 14 14 LYS HA H 14 4.963 5.471 -0.508 1
1 76 . 14 1 1 A 14 14 LYS CB C 14 35.303 36.066 -0.763 1
1 88 . 14 1 1 A 14 14 LYS C C 14 175.030 175.121 -0.091 1
1 89 . 14 1 1 A 15 15 CYS N N 15 126.764 124.575 2.189 1
1 90 . 14 1 1 A 15 15 CYS H H 15 9.018 9.339 -0.321 1
1 91 . 14 1 1 A 15 15 CYS CA C 15 59.556 59.915 -0.359 1
1 92 . 14 1 1 A 15 15 CYS HA H 15 4.477 4.508 -0.031 1
1 93 . 14 1 1 A 15 15 CYS CB C 15 29.711 28.410 1.301 1
1 96 . 14 1 1 A 15 15 CYS C C 15 176.438 175.401 1.037 1
1 97 . 14 1 1 A 16 16 ASP N N 16 130.452 124.966 5.486 1
1 98 . 14 1 1 A 16 16 ASP H H 16 9.146 9.167 -0.021 1
1 99 . 14 1 1 A 16 16 ASP CA C 16 56.059 54.306 1.753 1
1 100 . 14 1 1 A 16 16 ASP HA H 16 4.418 4.973 -0.555 1
1 101 . 14 1 1 A 16 16 ASP CB C 16 40.594 41.428 -0.834 1
1 104 . 14 1 1 A 16 16 ASP C C 16 175.426 176.293 -0.867 1
1 105 . 14 1 1 A 17 17 VAL N N 17 120.987 119.179 1.808 1
1 106 . 14 1 1 A 17 17 VAL H H 17 8.652 8.179 0.473 1
1 107 . 14 1 1 A 17 17 VAL CA C 17 64.823 63.127 1.696 1
1 108 . 14 1 1 A 17 17 VAL HA H 17 3.696 4.399 -0.703 1
1 109 . 14 1 1 A 17 17 VAL CB C 17 33.002 34.207 -1.205 1
1 119 . 14 1 1 A 17 17 VAL C C 17 176.458 176.858 -0.400 1
1 120 . 14 1 1 A 18 18 CYS N N 18 115.671 118.408 -2.737 1
1 121 . 14 1 1 A 18 18 CYS H H 18 7.886 7.999 -0.113 1
1 122 . 14 1 1 A 18 18 CYS CA C 18 57.837 58.028 -0.191 1
1 123 . 14 1 1 A 18 18 CYS HA H 18 4.894 4.320 0.574 1
1 124 . 14 1 1 A 18 18 CYS CB C 18 31.838 29.890 1.948 1
1 127 . 14 1 1 A 18 18 CYS C C 18 175.672 175.092 0.580 1
1 128 . 14 1 1 A 19 19 HIS N N 19 116.359 115.300 1.059 1
1 129 . 14 1 1 A 19 19 HIS H H 19 7.660 8.212 -0.552 1
1 130 . 14 1 1 A 19 19 HIS CA C 19 57.841 57.221 0.620 1
1 131 . 14 1 1 A 19 19 HIS HA H 19 4.496 4.267 0.229 1
1 132 . 14 1 1 A 19 19 HIS CB C 19 27.348 26.681 0.667 1
1 139 . 14 1 1 A 19 19 HIS C C 19 174.238 174.135 0.103 1
1 140 . 14 1 1 A 20 20 LYS N N 20 122.372 119.147 3.225 1
1 141 . 14 1 1 A 20 20 LYS H H 20 7.838 7.944 -0.106 1
1 142 . 14 1 1 A 20 20 LYS CA C 20 57.897 55.279 2.618 1
1 143 . 14 1 1 A 20 20 LYS HA H 20 4.131 4.223 -0.092 1
1 144 . 14 1 1 A 20 20 LYS CB C 20 34.042 32.264 1.778 1
1 156 . 14 1 1 A 20 20 LYS C C 20 174.512 175.792 -1.280 1
1 157 . 14 1 1 A 21 21 SER N N 21 115.643 120.802 -5.159 1
1 158 . 14 1 1 A 21 21 SER H H 21 7.862 8.403 -0.541 1
1 159 . 14 1 1 A 21 21 SER CA C 21 56.970 58.102 -1.132 1
1 160 . 14 1 1 A 21 21 SER HA H 21 5.289 4.440 0.849 1
1 161 . 14 1 1 A 21 21 SER CB C 21 66.008 64.384 1.624 1
1 164 . 14 1 1 A 21 21 SER C C 21 173.011 174.077 -1.066 1
1 165 . 14 1 1 A 22 22 PHE N N 22 117.902 119.420 -1.518 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.876 8.920 -0.044 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.348 56.344 1.004 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.673 5.015 -0.342 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 43.619 40.868 2.751 1
1 182 . 14 1 1 A 22 22 PHE C C 22 174.751 176.021 -1.270 1
1 183 . 14 1 1 A 23 23 ARG CA C 23 58.414 59.004 -0.590 1
1 184 . 14 1 1 A 23 23 ARG HA H 23 4.207 4.056 0.151 1
1 185 . 14 1 1 A 23 23 ARG CB C 23 31.078 30.487 0.591 1
1 194 . 14 1 1 A 23 23 ARG C C 23 175.172 175.381 -0.209 1
1 195 . 14 1 1 A 24 24 TYR N N 24 112.481 117.460 -4.979 1
1 196 . 14 1 1 A 24 24 TYR H H 24 7.392 8.296 -0.904 1
1 197 . 14 1 1 A 24 24 TYR CA C 24 55.424 56.539 -1.115 1
1 198 . 14 1 1 A 24 24 TYR HA H 24 4.990 5.044 -0.054 1
1 199 . 14 1 1 A 24 24 TYR CB C 24 41.056 41.005 0.051 1
1 210 . 14 1 1 A 24 24 TYR C C 24 176.547 176.235 0.312 1
1 211 . 14 1 1 A 25 25 GLY N N 25 113.229 111.724 1.505 1
1 212 . 14 1 1 A 25 25 GLY H H 25 8.444 8.237 0.207 1
1 213 . 14 1 1 A 25 25 GLY CA C 25 46.807 46.557 0.250 1
1 214 . 14 1 1 A 25 25 GLY HA2 H 25 3.339 2.837 0.502 1
1 215 . 14 1 1 A 25 25 GLY HA3 H 25 2.763 2.864 -0.101 1
1 216 . 14 1 1 A 25 25 GLY C C 25 176.648 175.714 0.934 1
1 217 . 14 1 1 A 26 26 SER CA C 26 60.443 62.639 -2.196 1
1 218 . 14 1 1 A 26 26 SER HA H 26 4.070 4.193 -0.123 1
1 219 . 14 1 1 A 26 26 SER CB C 26 61.509 62.656 -1.147 1
1 222 . 14 1 1 A 27 27 SER N N 27 117.119 117.856 -0.737 1
1 223 . 14 1 1 A 27 27 SER H H 27 6.975 7.986 -1.011 1
1 224 . 14 1 1 A 27 27 SER CA C 27 60.612 62.181 -1.569 1
1 225 . 14 1 1 A 27 27 SER HA H 27 4.193 4.011 0.182 1
1 226 . 14 1 1 A 27 27 SER CB C 27 62.516 63.166 -0.650 1
1 229 . 14 1 1 A 28 28 LEU N N 28 123.770 122.316 1.454 1
1 230 . 14 1 1 A 28 28 LEU H H 28 7.044 7.333 -0.289 1
1 231 . 14 1 1 A 28 28 LEU CA C 28 57.811 57.926 -0.115 1
1 232 . 14 1 1 A 28 28 LEU HA H 28 3.243 2.453 0.790 1
1 233 . 14 1 1 A 28 28 LEU CB C 28 40.095 41.688 -1.593 1
1 246 . 14 1 1 A 28 28 LEU C C 28 177.169 178.352 -1.183 1
1 247 . 14 1 1 A 29 29 THR N N 29 116.170 113.266 2.904 1
1 248 . 14 1 1 A 29 29 THR H H 29 8.074 7.479 0.595 1
1 249 . 14 1 1 A 29 29 THR CA C 29 66.661 66.626 0.035 1
1 250 . 14 1 1 A 29 29 THR HA H 29 3.920 3.830 0.090 1
1 251 . 14 1 1 A 29 29 THR CB C 29 68.519 68.342 0.177 1
1 257 . 14 1 1 A 29 29 THR C C 29 176.819 176.763 0.056 1
1 258 . 14 1 1 A 30 30 VAL N N 30 119.670 120.897 -1.227 1
1 259 . 14 1 1 A 30 30 VAL H H 30 7.348 7.997 -0.649 1
1 260 . 14 1 1 A 30 30 VAL CA C 30 66.447 66.003 0.444 1
1 261 . 14 1 1 A 30 30 VAL HA H 30 3.514 3.660 -0.146 1
1 262 . 14 1 1 A 30 30 VAL CB C 30 32.129 31.605 0.524 1
1 272 . 14 1 1 A 30 30 VAL C C 30 178.591 178.329 0.262 1
1 273 . 14 1 1 A 31 31 HIS N N 31 120.141 120.462 -0.321 1
1 274 . 14 1 1 A 31 31 HIS H H 31 7.568 7.975 -0.407 1
1 275 . 14 1 1 A 31 31 HIS CA C 31 59.358 58.855 0.503 1
1 276 . 14 1 1 A 31 31 HIS HA H 31 4.126 4.199 -0.073 1
1 277 . 14 1 1 A 31 31 HIS CB C 31 28.376 30.035 -1.659 1
1 284 . 14 1 1 A 31 31 HIS C C 31 176.177 177.318 -1.141 1
1 285 . 14 1 1 A 32 32 GLN N N 32 114.511 118.349 -3.838 1
1 286 . 14 1 1 A 32 32 GLN H H 32 8.405 8.428 -0.023 1
1 287 . 14 1 1 A 32 32 GLN CA C 32 59.401 58.607 0.794 1
1 288 . 14 1 1 A 32 32 GLN HA H 32 3.641 3.989 -0.348 1
1 289 . 14 1 1 A 32 32 GLN CB C 32 28.353 28.212 0.141 1
1 298 . 14 1 1 A 32 32 GLN C C 32 177.404 178.807 -1.403 1
1 299 . 14 1 1 A 33 33 ARG N N 33 117.508 119.366 -1.858 1
1 300 . 14 1 1 A 33 33 ARG H H 33 7.166 7.712 -0.546 1
1 301 . 14 1 1 A 33 33 ARG CA C 33 58.468 58.836 -0.368 1
1 302 . 14 1 1 A 33 33 ARG HA H 33 4.118 3.988 0.130 1
1 303 . 14 1 1 A 33 33 ARG CB C 33 30.021 29.875 0.146 1
1 312 . 14 1 1 A 33 33 ARG C C 33 178.686 178.891 -0.205 1
1 313 . 14 1 1 A 34 34 ILE N N 34 115.983 117.228 -1.245 1
1 314 . 14 1 1 A 34 34 ILE H H 34 7.823 7.256 0.567 1
1 315 . 14 1 1 A 34 34 ILE CA C 34 63.142 63.861 -0.719 1
1 316 . 14 1 1 A 34 34 ILE HA H 34 3.945 3.805 0.140 1
1 317 . 14 1 1 A 34 34 ILE CB C 34 37.712 36.855 0.857 1
1 330 . 14 1 1 A 34 34 ILE C C 34 177.354 177.152 0.202 1
1 331 . 14 1 1 A 35 35 HIS N N 35 117.112 119.459 -2.347 1
1 332 . 14 1 1 A 35 35 HIS H H 35 7.179 7.833 -0.654 1
1 333 . 14 1 1 A 35 35 HIS CA C 35 54.859 57.952 -3.093 1
1 334 . 14 1 1 A 35 35 HIS HA H 35 4.905 4.437 0.468 1
1 335 . 14 1 1 A 35 35 HIS CB C 35 28.376 30.760 -2.384 1
1 342 . 14 1 1 A 35 35 HIS C C 35 175.680 175.412 0.268 1
1 343 . 14 1 1 A 36 36 THR N N 36 112.051 114.018 -1.967 1
1 344 . 14 1 1 A 36 36 THR H H 36 7.737 7.686 0.051 1
1 345 . 14 1 1 A 36 36 THR CA C 36 62.670 60.326 2.344 1
1 346 . 14 1 1 A 36 36 THR HA H 36 4.312 4.648 -0.336 1
1 347 . 14 1 1 A 36 36 THR CB C 36 69.743 71.142 -1.399 1
1 353 . 14 1 1 A 36 36 THR C C 36 175.483 174.500 0.983 1
1 354 . 14 1 1 A 37 37 GLY N N 37 110.845 115.708 -4.863 1
1 355 . 14 1 1 A 37 37 GLY H H 37 8.289 8.277 0.012 1
1 356 . 14 1 1 A 37 37 GLY CA C 37 45.151 46.219 -1.068 1
1 357 . 14 1 1 A 37 37 GLY HA2 H 37 3.988 3.905 0.083 1
1 358 . 14 1 1 A 37 37 GLY HA3 H 37 3.945 3.912 0.033 1
1 359 . 14 1 1 A 37 37 GLY C C 37 174.025 173.453 0.572 1
1 360 . 14 1 1 A 38 38 GLU N N 38 120.598 125.357 -4.759 1
1 361 . 14 1 1 A 38 38 GLU H H 38 8.039 8.542 -0.503 1
1 362 . 14 1 1 A 38 38 GLU CA C 38 56.442 54.942 1.500 1
1 363 . 14 1 1 A 38 38 GLU HA H 38 4.220 4.830 -0.610 1
1 364 . 14 1 1 A 38 38 GLU CB C 38 30.525 32.348 -1.823 1
1 370 . 14 1 1 A 38 38 GLU C C 38 176.246 175.833 0.413 1
1 371 . 14 1 1 A 39 39 LYS N N 39 123.884 124.478 -0.594 1
1 372 . 14 1 1 A 39 39 LYS H H 39 8.420 8.958 -0.538 1
1 373 . 14 1 1 A 39 39 LYS CA C 39 54.071 53.634 0.437 1
1 374 . 14 1 1 A 39 39 LYS HA H 39 4.590 4.929 -0.339 1
1 375 . 14 1 1 A 39 39 LYS CB C 39 32.486 34.263 -1.777 1
1 387 . 14 1 1 A 39 39 LYS C C 39 174.070 174.677 -0.607 1
1 388 . 14 1 1 A 40 40 PRO CA C 40 63.186 62.897 0.289 1
1 389 . 14 1 1 A 40 40 PRO HA H 40 4.436 4.403 0.033 1
1 390 . 14 1 1 A 40 40 PRO CB C 40 32.163 32.044 0.119 1
1 399 . 14 1 1 A 41 41 SER N N 41 116.479 117.890 -1.411 1
1 400 . 14 1 1 A 41 41 SER H H 41 8.459 8.518 -0.059 1
1 401 . 14 1 1 A 41 41 SER CA C 41 58.355 59.824 -1.469 1
1 402 . 14 1 1 A 41 41 SER HA H 41 4.461 4.125 0.336 1
1 403 . 14 1 1 A 41 41 SER CB C 41 63.936 62.975 0.961 1
1 406 . 14 1 1 A 42 42 GLY N N 42 110.647 114.934 -4.287 1
1 407 . 14 1 1 A 42 42 GLY H H 42 8.218 8.762 -0.544 1
1 408 . 14 1 1 A 42 42 GLY CA C 42 44.626 44.983 -0.357 1
1 409 . 14 1 1 A 42 42 GLY HA2 H 42 4.134 4.012 0.122 1
1 410 . 14 1 1 A 42 42 GLY HA3 H 42 4.086 4.013 0.073 1
1 411 . 14 1 1 A 43 43 PRO CA C 43 63.176 62.420 0.756 1
1 412 . 14 1 1 A 43 43 PRO HA H 43 4.434 4.563 -0.129 1
1 413 . 14 1 1 A 43 43 PRO CB C 43 32.113 33.002 -0.889 1
1 422 . 14 1 1 A 44 44 SER N N 44 116.453 113.865 2.588 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.784 59.785 1.999 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.319 5.099 -0.780 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.847 71.550 -1.703 1
1 9 . 15 1 1 A 8 8 THR C C 8 175.419 173.394 2.025 1
1 10 . 15 1 1 A 9 9 GLY N N 9 110.845 114.133 -3.288 1
1 11 . 15 1 1 A 9 9 GLY H H 9 8.420 9.031 -0.611 1
1 12 . 15 1 1 A 9 9 GLY CA C 9 45.170 45.314 -0.144 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.904 4.030 -0.126 1
1 14 . 15 1 1 A 9 9 GLY HA3 H 9 3.904 4.032 -0.128 1
1 15 . 15 1 1 A 9 9 GLY C C 9 174.056 173.985 0.071 1
1 16 . 15 1 1 A 10 10 GLU N N 10 120.245 124.786 -4.541 1
1 17 . 15 1 1 A 10 10 GLU H H 10 8.182 8.585 -0.403 1
1 18 . 15 1 1 A 10 10 GLU CA C 10 56.868 56.586 0.282 1
1 19 . 15 1 1 A 10 10 GLU HA H 10 4.130 4.177 -0.047 1
1 20 . 15 1 1 A 10 10 GLU CB C 10 30.270 29.884 0.386 1
1 26 . 15 1 1 A 10 10 GLU C C 10 176.191 176.282 -0.091 1
1 27 . 15 1 1 A 11 11 LYS N N 11 121.318 123.280 -1.962 1
1 28 . 15 1 1 A 11 11 LYS H H 11 8.244 8.323 -0.079 1
1 29 . 15 1 1 A 11 11 LYS CA C 11 53.800 55.250 -1.450 1
1 30 . 15 1 1 A 11 11 LYS HA H 11 4.483 4.168 0.315 1
1 31 . 15 1 1 A 11 11 LYS CB C 11 32.900 32.006 0.894 1
1 43 . 15 1 1 A 11 11 LYS C C 11 174.450 176.633 -2.183 1
1 44 . 15 1 1 A 12 12 PRO CA C 12 63.627 63.872 -0.245 1
1 45 . 15 1 1 A 12 12 PRO HA H 12 4.275 4.235 0.040 1
1 46 . 15 1 1 A 12 12 PRO CB C 12 32.265 31.109 1.156 1
1 55 . 15 1 1 A 12 12 PRO C C 12 176.363 175.571 0.792 1
1 56 . 15 1 1 A 13 13 TYR N N 13 118.698 118.605 0.093 1
1 57 . 15 1 1 A 13 13 TYR H H 13 7.867 7.498 0.369 1
1 58 . 15 1 1 A 13 13 TYR CA C 13 57.667 56.556 1.111 1
1 59 . 15 1 1 A 13 13 TYR HA H 13 4.544 5.248 -0.704 1
1 60 . 15 1 1 A 13 13 TYR CB C 13 38.526 40.737 -2.211 1
1 71 . 15 1 1 A 13 13 TYR C C 13 174.411 174.137 0.274 1
1 72 . 15 1 1 A 14 14 LYS N N 14 124.941 125.118 -0.177 1
1 73 . 15 1 1 A 14 14 LYS H H 14 8.654 9.029 -0.375 1
1 74 . 15 1 1 A 14 14 LYS CA C 14 54.893 54.536 0.357 1
1 75 . 15 1 1 A 14 14 LYS HA H 14 4.963 5.445 -0.482 1
1 76 . 15 1 1 A 14 14 LYS CB C 14 35.303 36.109 -0.806 1
1 88 . 15 1 1 A 14 14 LYS C C 14 175.030 175.008 0.022 1
1 89 . 15 1 1 A 15 15 CYS N N 15 126.764 124.514 2.250 1
1 90 . 15 1 1 A 15 15 CYS H H 15 9.018 9.328 -0.310 1
1 91 . 15 1 1 A 15 15 CYS CA C 15 59.556 59.879 -0.323 1
1 92 . 15 1 1 A 15 15 CYS HA H 15 4.477 4.480 -0.003 1
1 93 . 15 1 1 A 15 15 CYS CB C 15 29.711 28.545 1.166 1
1 96 . 15 1 1 A 15 15 CYS C C 15 176.438 175.208 1.230 1
1 97 . 15 1 1 A 16 16 ASP N N 16 130.452 125.044 5.408 1
1 98 . 15 1 1 A 16 16 ASP H H 16 9.146 9.180 -0.034 1
1 99 . 15 1 1 A 16 16 ASP CA C 16 56.059 54.386 1.673 1
1 100 . 15 1 1 A 16 16 ASP HA H 16 4.418 4.889 -0.471 1
1 101 . 15 1 1 A 16 16 ASP CB C 16 40.594 41.401 -0.807 1
1 104 . 15 1 1 A 16 16 ASP C C 16 175.426 176.397 -0.971 1
1 105 . 15 1 1 A 17 17 VAL N N 17 120.987 119.221 1.766 1
1 106 . 15 1 1 A 17 17 VAL H H 17 8.652 8.191 0.461 1
1 107 . 15 1 1 A 17 17 VAL CA C 17 64.823 63.000 1.823 1
1 108 . 15 1 1 A 17 17 VAL HA H 17 3.696 4.420 -0.724 1
1 109 . 15 1 1 A 17 17 VAL CB C 17 33.002 34.429 -1.427 1
1 119 . 15 1 1 A 17 17 VAL C C 17 176.458 176.764 -0.306 1
1 120 . 15 1 1 A 18 18 CYS N N 18 115.671 118.641 -2.970 1
1 121 . 15 1 1 A 18 18 CYS H H 18 7.886 8.073 -0.187 1
1 122 . 15 1 1 A 18 18 CYS CA C 18 57.837 58.314 -0.477 1
1 123 . 15 1 1 A 18 18 CYS HA H 18 4.894 4.619 0.275 1
1 124 . 15 1 1 A 18 18 CYS CB C 18 31.838 29.753 2.085 1
1 127 . 15 1 1 A 18 18 CYS C C 18 175.672 175.141 0.531 1
1 128 . 15 1 1 A 19 19 HIS N N 19 116.359 115.260 1.099 1
1 129 . 15 1 1 A 19 19 HIS H H 19 7.660 8.294 -0.634 1
1 130 . 15 1 1 A 19 19 HIS CA C 19 57.841 56.924 0.917 1
1 131 . 15 1 1 A 19 19 HIS HA H 19 4.496 4.300 0.196 1
1 132 . 15 1 1 A 19 19 HIS CB C 19 27.348 26.637 0.711 1
1 139 . 15 1 1 A 19 19 HIS C C 19 174.238 174.212 0.026 1
1 140 . 15 1 1 A 20 20 LYS N N 20 122.372 119.088 3.284 1
1 141 . 15 1 1 A 20 20 LYS H H 20 7.838 7.881 -0.043 1
1 142 . 15 1 1 A 20 20 LYS CA C 20 57.897 55.281 2.616 1
1 143 . 15 1 1 A 20 20 LYS HA H 20 4.131 4.208 -0.077 1
1 144 . 15 1 1 A 20 20 LYS CB C 20 34.042 32.380 1.662 1
1 156 . 15 1 1 A 20 20 LYS C C 20 174.512 175.870 -1.358 1
1 157 . 15 1 1 A 21 21 SER N N 21 115.643 120.827 -5.184 1
1 158 . 15 1 1 A 21 21 SER H H 21 7.862 8.419 -0.557 1
1 159 . 15 1 1 A 21 21 SER CA C 21 56.970 58.244 -1.274 1
1 160 . 15 1 1 A 21 21 SER HA H 21 5.289 4.402 0.887 1
1 161 . 15 1 1 A 21 21 SER CB C 21 66.008 64.162 1.846 1
1 164 . 15 1 1 A 21 21 SER C C 21 173.011 174.200 -1.189 1
1 165 . 15 1 1 A 22 22 PHE N N 22 117.902 119.458 -1.556 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.876 9.059 -0.183 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.348 56.451 0.897 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.673 5.037 -0.364 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 43.619 40.837 2.782 1
1 182 . 15 1 1 A 22 22 PHE C C 22 174.751 175.854 -1.103 1
1 183 . 15 1 1 A 23 23 ARG CA C 23 58.414 59.237 -0.823 1
1 184 . 15 1 1 A 23 23 ARG HA H 23 4.207 4.093 0.114 1
1 185 . 15 1 1 A 23 23 ARG CB C 23 31.078 30.066 1.012 1
1 194 . 15 1 1 A 23 23 ARG C C 23 175.172 175.948 -0.776 1
1 195 . 15 1 1 A 24 24 TYR N N 24 112.481 117.090 -4.609 1
1 196 . 15 1 1 A 24 24 TYR H H 24 7.392 8.317 -0.925 1
1 197 . 15 1 1 A 24 24 TYR CA C 24 55.424 56.315 -0.891 1
1 198 . 15 1 1 A 24 24 TYR HA H 24 4.990 5.108 -0.118 1
1 199 . 15 1 1 A 24 24 TYR CB C 24 41.056 41.416 -0.360 1
1 210 . 15 1 1 A 24 24 TYR C C 24 176.547 176.234 0.313 1
1 211 . 15 1 1 A 25 25 GLY N N 25 113.229 111.765 1.464 1
1 212 . 15 1 1 A 25 25 GLY H H 25 8.444 8.257 0.187 1
1 213 . 15 1 1 A 25 25 GLY CA C 25 46.807 46.612 0.195 1
1 214 . 15 1 1 A 25 25 GLY HA2 H 25 3.339 2.694 0.645 1
1 215 . 15 1 1 A 25 25 GLY HA3 H 25 2.763 2.969 -0.206 1
1 216 . 15 1 1 A 25 25 GLY C C 25 176.648 176.026 0.622 1
1 217 . 15 1 1 A 26 26 SER CA C 26 60.443 62.630 -2.187 1
1 218 . 15 1 1 A 26 26 SER HA H 26 4.070 4.164 -0.094 1
1 219 . 15 1 1 A 26 26 SER CB C 26 61.509 62.583 -1.074 1
1 222 . 15 1 1 A 27 27 SER N N 27 117.119 117.704 -0.585 1
1 223 . 15 1 1 A 27 27 SER H H 27 6.975 7.955 -0.980 1
1 224 . 15 1 1 A 27 27 SER CA C 27 60.612 62.310 -1.698 1
1 225 . 15 1 1 A 27 27 SER HA H 27 4.193 4.069 0.124 1
1 226 . 15 1 1 A 27 27 SER CB C 27 62.516 63.211 -0.695 1
1 229 . 15 1 1 A 28 28 LEU N N 28 123.770 122.406 1.364 1
1 230 . 15 1 1 A 28 28 LEU H H 28 7.044 7.412 -0.368 1
1 231 . 15 1 1 A 28 28 LEU CA C 28 57.811 57.778 0.033 1
1 232 . 15 1 1 A 28 28 LEU HA H 28 3.243 2.295 0.948 1
1 233 . 15 1 1 A 28 28 LEU CB C 28 40.095 41.793 -1.698 1
1 246 . 15 1 1 A 28 28 LEU C C 28 177.169 178.372 -1.203 1
1 247 . 15 1 1 A 29 29 THR N N 29 116.170 113.428 2.742 1
1 248 . 15 1 1 A 29 29 THR H H 29 8.074 7.462 0.612 1
1 249 . 15 1 1 A 29 29 THR CA C 29 66.661 66.613 0.048 1
1 250 . 15 1 1 A 29 29 THR HA H 29 3.920 3.845 0.075 1
1 251 . 15 1 1 A 29 29 THR CB C 29 68.519 68.419 0.100 1
1 257 . 15 1 1 A 29 29 THR C C 29 176.819 176.721 0.098 1
1 258 . 15 1 1 A 30 30 VAL N N 30 119.670 120.897 -1.227 1
1 259 . 15 1 1 A 30 30 VAL H H 30 7.348 7.857 -0.509 1
1 260 . 15 1 1 A 30 30 VAL CA C 30 66.447 66.002 0.445 1
1 261 . 15 1 1 A 30 30 VAL HA H 30 3.514 3.683 -0.169 1
1 262 . 15 1 1 A 30 30 VAL CB C 30 32.129 31.610 0.519 1
1 272 . 15 1 1 A 30 30 VAL C C 30 178.591 178.281 0.310 1
1 273 . 15 1 1 A 31 31 HIS N N 31 120.141 120.706 -0.565 1
1 274 . 15 1 1 A 31 31 HIS H H 31 7.568 7.926 -0.358 1
1 275 . 15 1 1 A 31 31 HIS CA C 31 59.358 58.749 0.609 1
1 276 . 15 1 1 A 31 31 HIS HA H 31 4.126 4.205 -0.079 1
1 277 . 15 1 1 A 31 31 HIS CB C 31 28.376 30.024 -1.648 1
1 284 . 15 1 1 A 31 31 HIS C C 31 176.177 177.282 -1.105 1
1 285 . 15 1 1 A 32 32 GLN N N 32 114.511 118.163 -3.652 1
1 286 . 15 1 1 A 32 32 GLN H H 32 8.405 8.371 0.034 1
1 287 . 15 1 1 A 32 32 GLN CA C 32 59.401 58.591 0.810 1
1 288 . 15 1 1 A 32 32 GLN HA H 32 3.641 3.999 -0.358 1
1 289 . 15 1 1 A 32 32 GLN CB C 32 28.353 28.169 0.184 1
1 298 . 15 1 1 A 32 32 GLN C C 32 177.404 178.862 -1.458 1
1 299 . 15 1 1 A 33 33 ARG N N 33 117.508 119.452 -1.944 1
1 300 . 15 1 1 A 33 33 ARG H H 33 7.166 7.688 -0.522 1
1 301 . 15 1 1 A 33 33 ARG CA C 33 58.468 58.850 -0.382 1
1 302 . 15 1 1 A 33 33 ARG HA H 33 4.118 4.012 0.106 1
1 303 . 15 1 1 A 33 33 ARG CB C 33 30.021 29.927 0.094 1
1 312 . 15 1 1 A 33 33 ARG C C 33 178.686 178.965 -0.279 1
1 313 . 15 1 1 A 34 34 ILE N N 34 115.983 117.086 -1.103 1
1 314 . 15 1 1 A 34 34 ILE H H 34 7.823 7.234 0.589 1
1 315 . 15 1 1 A 34 34 ILE CA C 34 63.142 63.594 -0.452 1
1 316 . 15 1 1 A 34 34 ILE HA H 34 3.945 3.808 0.137 1
1 317 . 15 1 1 A 34 34 ILE CB C 34 37.712 36.981 0.731 1
1 330 . 15 1 1 A 34 34 ILE C C 34 177.354 176.634 0.720 1
1 331 . 15 1 1 A 35 35 HIS N N 35 117.112 119.702 -2.590 1
1 332 . 15 1 1 A 35 35 HIS H H 35 7.179 7.937 -0.758 1
1 333 . 15 1 1 A 35 35 HIS CA C 35 54.859 56.308 -1.449 1
1 334 . 15 1 1 A 35 35 HIS HA H 35 4.905 4.598 0.307 1
1 335 . 15 1 1 A 35 35 HIS CB C 35 28.376 29.840 -1.464 1
1 342 . 15 1 1 A 35 35 HIS C C 35 175.680 174.927 0.753 1
1 343 . 15 1 1 A 36 36 THR N N 36 112.051 113.212 -1.161 1
1 344 . 15 1 1 A 36 36 THR H H 36 7.737 7.449 0.288 1
1 345 . 15 1 1 A 36 36 THR CA C 36 62.670 59.883 2.787 1
1 346 . 15 1 1 A 36 36 THR HA H 36 4.312 4.671 -0.359 1
1 347 . 15 1 1 A 36 36 THR CB C 36 69.743 71.622 -1.879 1
1 353 . 15 1 1 A 36 36 THR C C 36 175.483 173.047 2.436 1
1 354 . 15 1 1 A 37 37 GLY N N 37 110.845 112.315 -1.470 1
1 355 . 15 1 1 A 37 37 GLY H H 37 8.289 8.397 -0.108 1
1 356 . 15 1 1 A 37 37 GLY CA C 37 45.151 44.519 0.632 1
1 357 . 15 1 1 A 37 37 GLY HA2 H 37 3.988 4.138 -0.150 1
1 358 . 15 1 1 A 37 37 GLY HA3 H 37 3.945 4.140 -0.195 1
1 359 . 15 1 1 A 37 37 GLY C C 37 174.025 171.587 2.438 1
1 360 . 15 1 1 A 38 38 GLU N N 38 120.598 120.603 -0.005 1
1 361 . 15 1 1 A 38 38 GLU H H 38 8.039 8.532 -0.493 1
1 362 . 15 1 1 A 38 38 GLU CA C 38 56.442 55.124 1.318 1
1 363 . 15 1 1 A 38 38 GLU HA H 38 4.220 4.772 -0.552 1
1 364 . 15 1 1 A 38 38 GLU CB C 38 30.525 30.598 -0.073 1
1 370 . 15 1 1 A 38 38 GLU C C 38 176.246 175.289 0.957 1
1 371 . 15 1 1 A 39 39 LYS N N 39 123.884 123.604 0.280 1
1 372 . 15 1 1 A 39 39 LYS H H 39 8.420 8.584 -0.164 1
1 373 . 15 1 1 A 39 39 LYS CA C 39 54.071 53.365 0.706 1
1 374 . 15 1 1 A 39 39 LYS HA H 39 4.590 5.019 -0.429 1
1 375 . 15 1 1 A 39 39 LYS CB C 39 32.486 34.978 -2.492 1
1 387 . 15 1 1 A 39 39 LYS C C 39 174.070 174.510 -0.440 1
1 388 . 15 1 1 A 40 40 PRO CA C 40 63.186 62.519 0.667 1
1 389 . 15 1 1 A 40 40 PRO HA H 40 4.436 4.768 -0.332 1
1 390 . 15 1 1 A 40 40 PRO CB C 40 32.163 30.706 1.457 1
1 399 . 15 1 1 A 41 41 SER N N 41 116.479 118.320 -1.841 1
1 400 . 15 1 1 A 41 41 SER H H 41 8.459 8.677 -0.218 1
1 401 . 15 1 1 A 41 41 SER CA C 41 58.355 57.313 1.042 1
1 402 . 15 1 1 A 41 41 SER HA H 41 4.461 4.669 -0.208 1
1 403 . 15 1 1 A 41 41 SER CB C 41 63.936 62.896 1.040 1
1 406 . 15 1 1 A 42 42 GLY N N 42 110.647 114.622 -3.975 1
1 407 . 15 1 1 A 42 42 GLY H H 42 8.218 8.209 0.009 1
1 408 . 15 1 1 A 42 42 GLY CA C 42 44.626 45.420 -0.794 1
1 409 . 15 1 1 A 42 42 GLY HA2 H 42 4.134 3.956 0.178 1
1 410 . 15 1 1 A 42 42 GLY HA3 H 42 4.086 3.956 0.130 1
1 411 . 15 1 1 A 43 43 PRO CA C 43 63.176 63.946 -0.770 1
1 412 . 15 1 1 A 43 43 PRO HA H 43 4.434 4.468 -0.034 1
1 413 . 15 1 1 A 43 43 PRO CB C 43 32.113 31.953 0.160 1
1 422 . 15 1 1 A 44 44 SER N N 44 116.453 111.952 4.501 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.784 60.348 1.436 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.319 4.920 -0.601 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.847 70.436 -0.589 1
1 9 . 16 1 1 A 8 8 THR C C 8 175.419 173.268 2.151 1
1 10 . 16 1 1 A 9 9 GLY N N 9 110.845 116.257 -5.412 1
1 11 . 16 1 1 A 9 9 GLY H H 9 8.420 8.631 -0.211 1
1 12 . 16 1 1 A 9 9 GLY CA C 9 45.170 46.650 -1.480 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.904 3.913 -0.009 1
1 14 . 16 1 1 A 9 9 GLY HA3 H 9 3.904 3.915 -0.011 1
1 15 . 16 1 1 A 9 9 GLY C C 9 174.056 175.335 -1.279 1
1 16 . 16 1 1 A 10 10 GLU N N 10 120.245 119.277 0.968 1
1 17 . 16 1 1 A 10 10 GLU H H 10 8.182 8.259 -0.077 1
1 18 . 16 1 1 A 10 10 GLU CA C 10 56.868 57.129 -0.261 1
1 19 . 16 1 1 A 10 10 GLU HA H 10 4.130 3.935 0.195 1
1 20 . 16 1 1 A 10 10 GLU CB C 10 30.270 28.064 2.206 1
1 26 . 16 1 1 A 10 10 GLU C C 10 176.191 175.510 0.681 1
1 27 . 16 1 1 A 11 11 LYS N N 11 121.318 119.856 1.462 1
1 28 . 16 1 1 A 11 11 LYS H H 11 8.244 7.925 0.319 1
1 29 . 16 1 1 A 11 11 LYS CA C 11 53.800 55.157 -1.357 1
1 30 . 16 1 1 A 11 11 LYS HA H 11 4.483 4.261 0.222 1
1 31 . 16 1 1 A 11 11 LYS CB C 11 32.900 32.087 0.813 1
1 43 . 16 1 1 A 11 11 LYS C C 11 174.450 176.521 -2.071 1
1 44 . 16 1 1 A 12 12 PRO CA C 12 63.627 63.920 -0.293 1
1 45 . 16 1 1 A 12 12 PRO HA H 12 4.275 4.272 0.003 1
1 46 . 16 1 1 A 12 12 PRO CB C 12 32.265 31.222 1.043 1
1 55 . 16 1 1 A 12 12 PRO C C 12 176.363 175.640 0.723 1
1 56 . 16 1 1 A 13 13 TYR N N 13 118.698 118.513 0.185 1
1 57 . 16 1 1 A 13 13 TYR H H 13 7.867 7.479 0.388 1
1 58 . 16 1 1 A 13 13 TYR CA C 13 57.667 56.573 1.094 1
1 59 . 16 1 1 A 13 13 TYR HA H 13 4.544 5.225 -0.681 1
1 60 . 16 1 1 A 13 13 TYR CB C 13 38.526 40.445 -1.919 1
1 71 . 16 1 1 A 13 13 TYR C C 13 174.411 174.162 0.249 1
1 72 . 16 1 1 A 14 14 LYS N N 14 124.941 125.275 -0.334 1
1 73 . 16 1 1 A 14 14 LYS H H 14 8.654 9.044 -0.390 1
1 74 . 16 1 1 A 14 14 LYS CA C 14 54.893 54.536 0.357 1
1 75 . 16 1 1 A 14 14 LYS HA H 14 4.963 5.497 -0.534 1
1 76 . 16 1 1 A 14 14 LYS CB C 14 35.303 36.232 -0.929 1
1 88 . 16 1 1 A 14 14 LYS C C 14 175.030 175.066 -0.036 1
1 89 . 16 1 1 A 15 15 CYS N N 15 126.764 124.495 2.269 1
1 90 . 16 1 1 A 15 15 CYS H H 15 9.018 9.411 -0.393 1
1 91 . 16 1 1 A 15 15 CYS CA C 15 59.556 59.897 -0.341 1
1 92 . 16 1 1 A 15 15 CYS HA H 15 4.477 4.484 -0.007 1
1 93 . 16 1 1 A 15 15 CYS CB C 15 29.711 28.679 1.032 1
1 96 . 16 1 1 A 15 15 CYS C C 15 176.438 175.417 1.021 1
1 97 . 16 1 1 A 16 16 ASP N N 16 130.452 124.995 5.457 1
1 98 . 16 1 1 A 16 16 ASP H H 16 9.146 9.049 0.097 1
1 99 . 16 1 1 A 16 16 ASP CA C 16 56.059 53.262 2.797 1
1 100 . 16 1 1 A 16 16 ASP HA H 16 4.418 4.926 -0.508 1
1 101 . 16 1 1 A 16 16 ASP CB C 16 40.594 41.300 -0.706 1
1 104 . 16 1 1 A 16 16 ASP C C 16 175.426 176.908 -1.482 1
1 105 . 16 1 1 A 17 17 VAL N N 17 120.987 118.159 2.828 1
1 106 . 16 1 1 A 17 17 VAL H H 17 8.652 8.212 0.440 1
1 107 . 16 1 1 A 17 17 VAL CA C 17 64.823 63.126 1.697 1
1 108 . 16 1 1 A 17 17 VAL HA H 17 3.696 4.440 -0.744 1
1 109 . 16 1 1 A 17 17 VAL CB C 17 33.002 34.373 -1.371 1
1 119 . 16 1 1 A 17 17 VAL C C 17 176.458 176.803 -0.345 1
1 120 . 16 1 1 A 18 18 CYS N N 18 115.671 118.644 -2.973 1
1 121 . 16 1 1 A 18 18 CYS H H 18 7.886 8.090 -0.204 1
1 122 . 16 1 1 A 18 18 CYS CA C 18 57.837 58.224 -0.387 1
1 123 . 16 1 1 A 18 18 CYS HA H 18 4.894 4.542 0.352 1
1 124 . 16 1 1 A 18 18 CYS CB C 18 31.838 29.760 2.078 1
1 127 . 16 1 1 A 18 18 CYS C C 18 175.672 174.807 0.865 1
1 128 . 16 1 1 A 19 19 HIS N N 19 116.359 115.015 1.344 1
1 129 . 16 1 1 A 19 19 HIS H H 19 7.660 8.352 -0.692 1
1 130 . 16 1 1 A 19 19 HIS CA C 19 57.841 56.911 0.930 1
1 131 . 16 1 1 A 19 19 HIS HA H 19 4.496 4.274 0.222 1
1 132 . 16 1 1 A 19 19 HIS CB C 19 27.348 26.673 0.675 1
1 139 . 16 1 1 A 19 19 HIS C C 19 174.238 174.211 0.027 1
1 140 . 16 1 1 A 20 20 LYS N N 20 122.372 119.117 3.255 1
1 141 . 16 1 1 A 20 20 LYS H H 20 7.838 7.973 -0.135 1
1 142 . 16 1 1 A 20 20 LYS CA C 20 57.897 55.230 2.667 1
1 143 . 16 1 1 A 20 20 LYS HA H 20 4.131 4.189 -0.058 1
1 144 . 16 1 1 A 20 20 LYS CB C 20 34.042 32.530 1.512 1
1 156 . 16 1 1 A 20 20 LYS C C 20 174.512 175.912 -1.400 1
1 157 . 16 1 1 A 21 21 SER N N 21 115.643 120.824 -5.181 1
1 158 . 16 1 1 A 21 21 SER H H 21 7.862 8.414 -0.552 1
1 159 . 16 1 1 A 21 21 SER CA C 21 56.970 58.121 -1.151 1
1 160 . 16 1 1 A 21 21 SER HA H 21 5.289 4.406 0.883 1
1 161 . 16 1 1 A 21 21 SER CB C 21 66.008 64.228 1.780 1
1 164 . 16 1 1 A 21 21 SER C C 21 173.011 174.178 -1.167 1
1 165 . 16 1 1 A 22 22 PHE N N 22 117.902 119.381 -1.479 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.876 9.083 -0.207 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.348 56.371 0.977 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.673 5.060 -0.387 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 43.619 40.909 2.710 1
1 182 . 16 1 1 A 22 22 PHE C C 22 174.751 175.964 -1.213 1
1 183 . 16 1 1 A 23 23 ARG CA C 23 58.414 58.511 -0.097 1
1 184 . 16 1 1 A 23 23 ARG HA H 23 4.207 4.076 0.131 1
1 185 . 16 1 1 A 23 23 ARG CB C 23 31.078 30.362 0.716 1
1 194 . 16 1 1 A 23 23 ARG C C 23 175.172 174.950 0.222 1
1 195 . 16 1 1 A 24 24 TYR N N 24 112.481 117.607 -5.126 1
1 196 . 16 1 1 A 24 24 TYR H H 24 7.392 8.281 -0.889 1
1 197 . 16 1 1 A 24 24 TYR CA C 24 55.424 56.525 -1.101 1
1 198 . 16 1 1 A 24 24 TYR HA H 24 4.990 5.044 -0.054 1
1 199 . 16 1 1 A 24 24 TYR CB C 24 41.056 40.814 0.242 1
1 210 . 16 1 1 A 24 24 TYR C C 24 176.547 176.326 0.221 1
1 211 . 16 1 1 A 25 25 GLY N N 25 113.229 111.979 1.250 1
1 212 . 16 1 1 A 25 25 GLY H H 25 8.444 8.328 0.116 1
1 213 . 16 1 1 A 25 25 GLY CA C 25 46.807 46.794 0.013 1
1 214 . 16 1 1 A 25 25 GLY HA2 H 25 3.339 2.796 0.543 1
1 215 . 16 1 1 A 25 25 GLY HA3 H 25 2.763 2.876 -0.113 1
1 216 . 16 1 1 A 25 25 GLY C C 25 176.648 176.016 0.632 1
1 217 . 16 1 1 A 26 26 SER CA C 26 60.443 62.632 -2.189 1
1 218 . 16 1 1 A 26 26 SER HA H 26 4.070 4.112 -0.042 1
1 219 . 16 1 1 A 26 26 SER CB C 26 61.509 62.563 -1.054 1
1 222 . 16 1 1 A 27 27 SER N N 27 117.119 117.576 -0.457 1
1 223 . 16 1 1 A 27 27 SER H H 27 6.975 7.986 -1.011 1
1 224 . 16 1 1 A 27 27 SER CA C 27 60.612 62.213 -1.601 1
1 225 . 16 1 1 A 27 27 SER HA H 27 4.193 4.002 0.191 1
1 226 . 16 1 1 A 27 27 SER CB C 27 62.516 63.083 -0.567 1
1 229 . 16 1 1 A 28 28 LEU N N 28 123.770 122.359 1.411 1
1 230 . 16 1 1 A 28 28 LEU H H 28 7.044 7.463 -0.419 1
1 231 . 16 1 1 A 28 28 LEU CA C 28 57.811 57.919 -0.108 1
1 232 . 16 1 1 A 28 28 LEU HA H 28 3.243 2.411 0.832 1
1 233 . 16 1 1 A 28 28 LEU CB C 28 40.095 41.757 -1.662 1
1 246 . 16 1 1 A 28 28 LEU C C 28 177.169 178.258 -1.089 1
1 247 . 16 1 1 A 29 29 THR N N 29 116.170 113.509 2.661 1
1 248 . 16 1 1 A 29 29 THR H H 29 8.074 7.473 0.601 1
1 249 . 16 1 1 A 29 29 THR CA C 29 66.661 66.625 0.036 1
1 250 . 16 1 1 A 29 29 THR HA H 29 3.920 3.849 0.071 1
1 251 . 16 1 1 A 29 29 THR CB C 29 68.519 68.367 0.152 1
1 257 . 16 1 1 A 29 29 THR C C 29 176.819 176.730 0.089 1
1 258 . 16 1 1 A 30 30 VAL N N 30 119.670 120.900 -1.230 1
1 259 . 16 1 1 A 30 30 VAL H H 30 7.348 7.998 -0.650 1
1 260 . 16 1 1 A 30 30 VAL CA C 30 66.447 66.004 0.443 1
1 261 . 16 1 1 A 30 30 VAL HA H 30 3.514 3.684 -0.170 1
1 262 . 16 1 1 A 30 30 VAL CB C 30 32.129 31.611 0.518 1
1 272 . 16 1 1 A 30 30 VAL C C 30 178.591 178.357 0.234 1
1 273 . 16 1 1 A 31 31 HIS N N 31 120.141 120.091 0.050 1
1 274 . 16 1 1 A 31 31 HIS H H 31 7.568 7.960 -0.392 1
1 275 . 16 1 1 A 31 31 HIS CA C 31 59.358 59.014 0.344 1
1 276 . 16 1 1 A 31 31 HIS HA H 31 4.126 4.199 -0.073 1
1 277 . 16 1 1 A 31 31 HIS CB C 31 28.376 30.032 -1.656 1
1 284 . 16 1 1 A 31 31 HIS C C 31 176.177 177.292 -1.115 1
1 285 . 16 1 1 A 32 32 GLN N N 32 114.511 118.232 -3.721 1
1 286 . 16 1 1 A 32 32 GLN H H 32 8.405 8.388 0.017 1
1 287 . 16 1 1 A 32 32 GLN CA C 32 59.401 58.665 0.736 1
1 288 . 16 1 1 A 32 32 GLN HA H 32 3.641 3.981 -0.340 1
1 289 . 16 1 1 A 32 32 GLN CB C 32 28.353 28.166 0.187 1
1 298 . 16 1 1 A 32 32 GLN C C 32 177.404 178.756 -1.352 1
1 299 . 16 1 1 A 33 33 ARG N N 33 117.508 119.373 -1.865 1
1 300 . 16 1 1 A 33 33 ARG H H 33 7.166 7.695 -0.529 1
1 301 . 16 1 1 A 33 33 ARG CA C 33 58.468 58.928 -0.460 1
1 302 . 16 1 1 A 33 33 ARG HA H 33 4.118 3.993 0.125 1
1 303 . 16 1 1 A 33 33 ARG CB C 33 30.021 29.889 0.132 1
1 312 . 16 1 1 A 33 33 ARG C C 33 178.686 178.944 -0.258 1
1 313 . 16 1 1 A 34 34 ILE N N 34 115.983 117.215 -1.232 1
1 314 . 16 1 1 A 34 34 ILE H H 34 7.823 7.290 0.533 1
1 315 . 16 1 1 A 34 34 ILE CA C 34 63.142 63.800 -0.658 1
1 316 . 16 1 1 A 34 34 ILE HA H 34 3.945 3.815 0.130 1
1 317 . 16 1 1 A 34 34 ILE CB C 34 37.712 36.891 0.821 1
1 330 . 16 1 1 A 34 34 ILE C C 34 177.354 177.109 0.245 1
1 331 . 16 1 1 A 35 35 HIS N N 35 117.112 119.777 -2.665 1
1 332 . 16 1 1 A 35 35 HIS H H 35 7.179 7.777 -0.598 1
1 333 . 16 1 1 A 35 35 HIS CA C 35 54.859 57.847 -2.988 1
1 334 . 16 1 1 A 35 35 HIS HA H 35 4.905 4.440 0.465 1
1 335 . 16 1 1 A 35 35 HIS CB C 35 28.376 30.647 -2.271 1
1 342 . 16 1 1 A 35 35 HIS C C 35 175.680 175.007 0.673 1
1 343 . 16 1 1 A 36 36 THR N N 36 112.051 113.383 -1.332 1
1 344 . 16 1 1 A 36 36 THR H H 36 7.737 7.640 0.097 1
1 345 . 16 1 1 A 36 36 THR CA C 36 62.670 60.151 2.519 1
1 346 . 16 1 1 A 36 36 THR HA H 36 4.312 4.559 -0.247 1
1 347 . 16 1 1 A 36 36 THR CB C 36 69.743 72.156 -2.413 1
1 353 . 16 1 1 A 36 36 THR C C 36 175.483 174.099 1.384 1
1 354 . 16 1 1 A 37 37 GLY N N 37 110.845 113.259 -2.414 1
1 355 . 16 1 1 A 37 37 GLY H H 37 8.289 8.339 -0.050 1
1 356 . 16 1 1 A 37 37 GLY CA C 37 45.151 44.800 0.351 1
1 357 . 16 1 1 A 37 37 GLY HA2 H 37 3.988 4.078 -0.090 1
1 358 . 16 1 1 A 37 37 GLY HA3 H 37 3.945 4.083 -0.138 1
1 359 . 16 1 1 A 37 37 GLY C C 37 174.025 173.023 1.002 1
1 360 . 16 1 1 A 38 38 GLU N N 38 120.598 119.667 0.931 1
1 361 . 16 1 1 A 38 38 GLU H H 38 8.039 8.716 -0.677 1
1 362 . 16 1 1 A 38 38 GLU CA C 38 56.442 55.278 1.164 1
1 363 . 16 1 1 A 38 38 GLU HA H 38 4.220 4.852 -0.632 1
1 364 . 16 1 1 A 38 38 GLU CB C 38 30.525 30.370 0.155 1
1 370 . 16 1 1 A 38 38 GLU C C 38 176.246 175.073 1.173 1
1 371 . 16 1 1 A 39 39 LYS N N 39 123.884 119.909 3.975 1
1 372 . 16 1 1 A 39 39 LYS H H 39 8.420 8.573 -0.153 1
1 373 . 16 1 1 A 39 39 LYS CA C 39 54.071 53.414 0.657 1
1 374 . 16 1 1 A 39 39 LYS HA H 39 4.590 5.060 -0.470 1
1 375 . 16 1 1 A 39 39 LYS CB C 39 32.486 35.459 -2.973 1
1 387 . 16 1 1 A 39 39 LYS C C 39 174.070 173.671 0.399 1
1 388 . 16 1 1 A 40 40 PRO CA C 40 63.186 62.740 0.446 1
1 389 . 16 1 1 A 40 40 PRO HA H 40 4.436 4.707 -0.271 1
1 390 . 16 1 1 A 40 40 PRO CB C 40 32.163 31.912 0.251 1
1 399 . 16 1 1 A 41 41 SER N N 41 116.479 118.985 -2.506 1
1 400 . 16 1 1 A 41 41 SER H H 41 8.459 8.715 -0.256 1
1 401 . 16 1 1 A 41 41 SER CA C 41 58.355 57.546 0.809 1
1 402 . 16 1 1 A 41 41 SER HA H 41 4.461 4.986 -0.525 1
1 403 . 16 1 1 A 41 41 SER CB C 41 63.936 66.181 -2.245 1
1 406 . 16 1 1 A 42 42 GLY N N 42 110.647 110.720 -0.073 1
1 407 . 16 1 1 A 42 42 GLY H H 42 8.218 8.558 -0.340 1
1 408 . 16 1 1 A 42 42 GLY CA C 42 44.626 45.501 -0.875 1
1 409 . 16 1 1 A 42 42 GLY HA2 H 42 4.134 3.944 0.190 1
1 410 . 16 1 1 A 42 42 GLY HA3 H 42 4.086 3.944 0.142 1
1 411 . 16 1 1 A 43 43 PRO CA C 43 63.176 62.478 0.698 1
1 412 . 16 1 1 A 43 43 PRO HA H 43 4.434 4.588 -0.154 1
1 413 . 16 1 1 A 43 43 PRO CB C 43 32.113 33.061 -0.948 1
1 422 . 16 1 1 A 44 44 SER N N 44 116.453 113.266 3.187 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.784 63.387 -1.603 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.319 4.263 0.056 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.847 69.731 0.116 1
1 9 . 17 1 1 A 8 8 THR C C 8 175.419 174.482 0.937 1
1 10 . 17 1 1 A 9 9 GLY N N 9 110.845 109.901 0.944 1
1 11 . 17 1 1 A 9 9 GLY H H 9 8.420 7.712 0.708 1
1 12 . 17 1 1 A 9 9 GLY CA C 9 45.170 44.756 0.414 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.904 3.984 -0.080 1
1 14 . 17 1 1 A 9 9 GLY HA3 H 9 3.904 3.989 -0.085 1
1 15 . 17 1 1 A 9 9 GLY C C 9 174.056 172.897 1.159 1
1 16 . 17 1 1 A 10 10 GLU N N 10 120.245 116.207 4.038 1
1 17 . 17 1 1 A 10 10 GLU H H 10 8.182 8.428 -0.246 1
1 18 . 17 1 1 A 10 10 GLU CA C 10 56.868 54.743 2.125 1
1 19 . 17 1 1 A 10 10 GLU HA H 10 4.130 5.149 -1.019 1
1 20 . 17 1 1 A 10 10 GLU CB C 10 30.270 32.557 -2.287 1
1 26 . 17 1 1 A 10 10 GLU C C 10 176.191 174.798 1.393 1
1 27 . 17 1 1 A 11 11 LYS N N 11 121.318 123.890 -2.572 1
1 28 . 17 1 1 A 11 11 LYS H H 11 8.244 8.633 -0.389 1
1 29 . 17 1 1 A 11 11 LYS CA C 11 53.800 52.501 1.299 1
1 30 . 17 1 1 A 11 11 LYS HA H 11 4.483 4.854 -0.371 1
1 31 . 17 1 1 A 11 11 LYS CB C 11 32.900 34.989 -2.089 1
1 43 . 17 1 1 A 11 11 LYS C C 11 174.450 175.725 -1.275 1
1 44 . 17 1 1 A 12 12 PRO CA C 12 63.627 63.664 -0.037 1
1 45 . 17 1 1 A 12 12 PRO HA H 12 4.275 4.257 0.018 1
1 46 . 17 1 1 A 12 12 PRO CB C 12 32.265 30.924 1.341 1
1 55 . 17 1 1 A 12 12 PRO C C 12 176.363 175.476 0.887 1
1 56 . 17 1 1 A 13 13 TYR N N 13 118.698 118.864 -0.166 1
1 57 . 17 1 1 A 13 13 TYR H H 13 7.867 7.464 0.403 1
1 58 . 17 1 1 A 13 13 TYR CA C 13 57.667 56.607 1.060 1
1 59 . 17 1 1 A 13 13 TYR HA H 13 4.544 5.230 -0.686 1
1 60 . 17 1 1 A 13 13 TYR CB C 13 38.526 40.850 -2.324 1
1 71 . 17 1 1 A 13 13 TYR C C 13 174.411 174.179 0.232 1
1 72 . 17 1 1 A 14 14 LYS N N 14 124.941 125.132 -0.191 1
1 73 . 17 1 1 A 14 14 LYS H H 14 8.654 9.015 -0.361 1
1 74 . 17 1 1 A 14 14 LYS CA C 14 54.893 54.658 0.235 1
1 75 . 17 1 1 A 14 14 LYS HA H 14 4.963 5.434 -0.471 1
1 76 . 17 1 1 A 14 14 LYS CB C 14 35.303 36.254 -0.951 1
1 88 . 17 1 1 A 14 14 LYS C C 14 175.030 175.017 0.013 1
1 89 . 17 1 1 A 15 15 CYS N N 15 126.764 124.410 2.354 1
1 90 . 17 1 1 A 15 15 CYS H H 15 9.018 9.385 -0.367 1
1 91 . 17 1 1 A 15 15 CYS CA C 15 59.556 59.868 -0.312 1
1 92 . 17 1 1 A 15 15 CYS HA H 15 4.477 4.503 -0.026 1
1 93 . 17 1 1 A 15 15 CYS CB C 15 29.711 28.687 1.024 1
1 96 . 17 1 1 A 15 15 CYS C C 15 176.438 175.351 1.087 1
1 97 . 17 1 1 A 16 16 ASP N N 16 130.452 124.913 5.539 1
1 98 . 17 1 1 A 16 16 ASP H H 16 9.146 9.136 0.010 1
1 99 . 17 1 1 A 16 16 ASP CA C 16 56.059 54.281 1.778 1
1 100 . 17 1 1 A 16 16 ASP HA H 16 4.418 4.846 -0.428 1
1 101 . 17 1 1 A 16 16 ASP CB C 16 40.594 41.267 -0.673 1
1 104 . 17 1 1 A 16 16 ASP C C 16 175.426 176.387 -0.961 1
1 105 . 17 1 1 A 17 17 VAL N N 17 120.987 119.065 1.922 1
1 106 . 17 1 1 A 17 17 VAL H H 17 8.652 8.207 0.445 1
1 107 . 17 1 1 A 17 17 VAL CA C 17 64.823 63.107 1.716 1
1 108 . 17 1 1 A 17 17 VAL HA H 17 3.696 4.450 -0.754 1
1 109 . 17 1 1 A 17 17 VAL CB C 17 33.002 34.342 -1.340 1
1 119 . 17 1 1 A 17 17 VAL C C 17 176.458 176.836 -0.378 1
1 120 . 17 1 1 A 18 18 CYS N N 18 115.671 118.848 -3.177 1
1 121 . 17 1 1 A 18 18 CYS H H 18 7.886 8.110 -0.224 1
1 122 . 17 1 1 A 18 18 CYS CA C 18 57.837 58.300 -0.463 1
1 123 . 17 1 1 A 18 18 CYS HA H 18 4.894 4.517 0.377 1
1 124 . 17 1 1 A 18 18 CYS CB C 18 31.838 29.851 1.987 1
1 127 . 17 1 1 A 18 18 CYS C C 18 175.672 175.142 0.530 1
1 128 . 17 1 1 A 19 19 HIS N N 19 116.359 115.215 1.144 1
1 129 . 17 1 1 A 19 19 HIS H H 19 7.660 8.369 -0.709 1
1 130 . 17 1 1 A 19 19 HIS CA C 19 57.841 57.117 0.724 1
1 131 . 17 1 1 A 19 19 HIS HA H 19 4.496 4.282 0.214 1
1 132 . 17 1 1 A 19 19 HIS CB C 19 27.348 26.584 0.764 1
1 139 . 17 1 1 A 19 19 HIS C C 19 174.238 174.128 0.110 1
1 140 . 17 1 1 A 20 20 LYS N N 20 122.372 119.456 2.916 1
1 141 . 17 1 1 A 20 20 LYS H H 20 7.838 8.119 -0.281 1
1 142 . 17 1 1 A 20 20 LYS CA C 20 57.897 55.188 2.709 1
1 143 . 17 1 1 A 20 20 LYS HA H 20 4.131 4.207 -0.076 1
1 144 . 17 1 1 A 20 20 LYS CB C 20 34.042 32.008 2.034 1
1 156 . 17 1 1 A 20 20 LYS C C 20 174.512 175.493 -0.981 1
1 157 . 17 1 1 A 21 21 SER N N 21 115.643 121.187 -5.544 1
1 158 . 17 1 1 A 21 21 SER H H 21 7.862 8.368 -0.506 1
1 159 . 17 1 1 A 21 21 SER CA C 21 56.970 59.043 -2.073 1
1 160 . 17 1 1 A 21 21 SER HA H 21 5.289 4.577 0.712 1
1 161 . 17 1 1 A 21 21 SER CB C 21 66.008 64.001 2.007 1
1 164 . 17 1 1 A 21 21 SER C C 21 173.011 173.721 -0.710 1
1 165 . 17 1 1 A 22 22 PHE N N 22 117.902 121.436 -3.534 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.876 9.034 -0.158 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.348 56.345 1.003 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.673 5.047 -0.374 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 43.619 41.065 2.554 1
1 182 . 17 1 1 A 22 22 PHE C C 22 174.751 175.835 -1.084 1
1 183 . 17 1 1 A 23 23 ARG CA C 23 58.414 59.177 -0.763 1
1 184 . 17 1 1 A 23 23 ARG HA H 23 4.207 3.979 0.228 1
1 185 . 17 1 1 A 23 23 ARG CB C 23 31.078 30.454 0.624 1
1 194 . 17 1 1 A 23 23 ARG C C 23 175.172 175.307 -0.135 1
1 195 . 17 1 1 A 24 24 TYR N N 24 112.481 117.233 -4.752 1
1 196 . 17 1 1 A 24 24 TYR H H 24 7.392 8.289 -0.897 1
1 197 . 17 1 1 A 24 24 TYR CA C 24 55.424 56.551 -1.127 1
1 198 . 17 1 1 A 24 24 TYR HA H 24 4.990 5.049 -0.059 1
1 199 . 17 1 1 A 24 24 TYR CB C 24 41.056 40.892 0.164 1
1 210 . 17 1 1 A 24 24 TYR C C 24 176.547 176.369 0.178 1
1 211 . 17 1 1 A 25 25 GLY N N 25 113.229 111.840 1.389 1
1 212 . 17 1 1 A 25 25 GLY H H 25 8.444 8.354 0.090 1
1 213 . 17 1 1 A 25 25 GLY CA C 25 46.807 46.639 0.168 1
1 214 . 17 1 1 A 25 25 GLY HA2 H 25 3.339 2.761 0.578 1
1 215 . 17 1 1 A 25 25 GLY HA3 H 25 2.763 2.872 -0.109 1
1 216 . 17 1 1 A 25 25 GLY C C 25 176.648 175.950 0.698 1
1 217 . 17 1 1 A 26 26 SER CA C 26 60.443 62.600 -2.157 1
1 218 . 17 1 1 A 26 26 SER HA H 26 4.070 4.169 -0.099 1
1 219 . 17 1 1 A 26 26 SER CB C 26 61.509 62.652 -1.143 1
1 222 . 17 1 1 A 27 27 SER N N 27 117.119 117.623 -0.504 1
1 223 . 17 1 1 A 27 27 SER H H 27 6.975 7.948 -0.973 1
1 224 . 17 1 1 A 27 27 SER CA C 27 60.612 62.298 -1.686 1
1 225 . 17 1 1 A 27 27 SER HA H 27 4.193 4.028 0.165 1
1 226 . 17 1 1 A 27 27 SER CB C 27 62.516 63.177 -0.661 1
1 229 . 17 1 1 A 28 28 LEU N N 28 123.770 122.292 1.478 1
1 230 . 17 1 1 A 28 28 LEU H H 28 7.044 7.344 -0.300 1
1 231 . 17 1 1 A 28 28 LEU CA C 28 57.811 57.999 -0.188 1
1 232 . 17 1 1 A 28 28 LEU HA H 28 3.243 2.435 0.808 1
1 233 . 17 1 1 A 28 28 LEU CB C 28 40.095 41.664 -1.569 1
1 246 . 17 1 1 A 28 28 LEU C C 28 177.169 178.320 -1.151 1
1 247 . 17 1 1 A 29 29 THR N N 29 116.170 113.350 2.820 1
1 248 . 17 1 1 A 29 29 THR H H 29 8.074 7.511 0.563 1
1 249 . 17 1 1 A 29 29 THR CA C 29 66.661 66.570 0.091 1
1 250 . 17 1 1 A 29 29 THR HA H 29 3.920 3.829 0.091 1
1 251 . 17 1 1 A 29 29 THR CB C 29 68.519 68.286 0.233 1
1 257 . 17 1 1 A 29 29 THR C C 29 176.819 176.776 0.043 1
1 258 . 17 1 1 A 30 30 VAL N N 30 119.670 120.970 -1.300 1
1 259 . 17 1 1 A 30 30 VAL H H 30 7.348 8.000 -0.652 1
1 260 . 17 1 1 A 30 30 VAL CA C 30 66.447 65.892 0.555 1
1 261 . 17 1 1 A 30 30 VAL HA H 30 3.514 3.736 -0.222 1
1 262 . 17 1 1 A 30 30 VAL CB C 30 32.129 31.571 0.558 1
1 272 . 17 1 1 A 30 30 VAL C C 30 178.591 178.334 0.257 1
1 273 . 17 1 1 A 31 31 HIS N N 31 120.141 120.744 -0.603 1
1 274 . 17 1 1 A 31 31 HIS H H 31 7.568 8.113 -0.545 1
1 275 . 17 1 1 A 31 31 HIS CA C 31 59.358 58.858 0.500 1
1 276 . 17 1 1 A 31 31 HIS HA H 31 4.126 4.215 -0.089 1
1 277 . 17 1 1 A 31 31 HIS CB C 31 28.376 30.004 -1.628 1
1 284 . 17 1 1 A 31 31 HIS C C 31 176.177 177.217 -1.040 1
1 285 . 17 1 1 A 32 32 GLN N N 32 114.511 118.230 -3.719 1
1 286 . 17 1 1 A 32 32 GLN H H 32 8.405 8.430 -0.025 1
1 287 . 17 1 1 A 32 32 GLN CA C 32 59.401 58.592 0.809 1
1 288 . 17 1 1 A 32 32 GLN HA H 32 3.641 3.989 -0.348 1
1 289 . 17 1 1 A 32 32 GLN CB C 32 28.353 28.175 0.178 1
1 298 . 17 1 1 A 32 32 GLN C C 32 177.404 178.811 -1.407 1
1 299 . 17 1 1 A 33 33 ARG N N 33 117.508 119.071 -1.563 1
1 300 . 17 1 1 A 33 33 ARG H H 33 7.166 7.697 -0.531 1
1 301 . 17 1 1 A 33 33 ARG CA C 33 58.468 58.961 -0.493 1
1 302 . 17 1 1 A 33 33 ARG HA H 33 4.118 4.024 0.094 1
1 303 . 17 1 1 A 33 33 ARG CB C 33 30.021 29.883 0.138 1
1 312 . 17 1 1 A 33 33 ARG C C 33 178.686 179.029 -0.343 1
1 313 . 17 1 1 A 34 34 ILE N N 34 115.983 116.846 -0.863 1
1 314 . 17 1 1 A 34 34 ILE H H 34 7.823 7.237 0.586 1
1 315 . 17 1 1 A 34 34 ILE CA C 34 63.142 63.832 -0.690 1
1 316 . 17 1 1 A 34 34 ILE HA H 34 3.945 3.820 0.125 1
1 317 . 17 1 1 A 34 34 ILE CB C 34 37.712 36.842 0.870 1
1 330 . 17 1 1 A 34 34 ILE C C 34 177.354 177.167 0.187 1
1 331 . 17 1 1 A 35 35 HIS N N 35 117.112 119.565 -2.453 1
1 332 . 17 1 1 A 35 35 HIS H H 35 7.179 7.817 -0.638 1
1 333 . 17 1 1 A 35 35 HIS CA C 35 54.859 57.956 -3.097 1
1 334 . 17 1 1 A 35 35 HIS HA H 35 4.905 4.447 0.458 1
1 335 . 17 1 1 A 35 35 HIS CB C 35 28.376 30.756 -2.380 1
1 342 . 17 1 1 A 35 35 HIS C C 35 175.680 175.376 0.304 1
1 343 . 17 1 1 A 36 36 THR N N 36 112.051 114.434 -2.383 1
1 344 . 17 1 1 A 36 36 THR H H 36 7.737 7.596 0.141 1
1 345 . 17 1 1 A 36 36 THR CA C 36 62.670 60.419 2.251 1
1 346 . 17 1 1 A 36 36 THR HA H 36 4.312 4.646 -0.334 1
1 347 . 17 1 1 A 36 36 THR CB C 36 69.743 71.357 -1.614 1
1 353 . 17 1 1 A 36 36 THR C C 36 175.483 174.261 1.222 1
1 354 . 17 1 1 A 37 37 GLY N N 37 110.845 115.058 -4.213 1
1 355 . 17 1 1 A 37 37 GLY H H 37 8.289 8.544 -0.255 1
1 356 . 17 1 1 A 37 37 GLY CA C 37 45.151 44.730 0.421 1
1 357 . 17 1 1 A 37 37 GLY HA2 H 37 3.988 4.061 -0.073 1
1 358 . 17 1 1 A 37 37 GLY HA3 H 37 3.945 4.066 -0.121 1
1 359 . 17 1 1 A 37 37 GLY C C 37 174.025 172.802 1.223 1
1 360 . 17 1 1 A 38 38 GLU N N 38 120.598 124.148 -3.550 1
1 361 . 17 1 1 A 38 38 GLU H H 38 8.039 8.108 -0.069 1
1 362 . 17 1 1 A 38 38 GLU CA C 38 56.442 55.320 1.122 1
1 363 . 17 1 1 A 38 38 GLU HA H 38 4.220 4.859 -0.639 1
1 364 . 17 1 1 A 38 38 GLU CB C 38 30.525 33.139 -2.614 1
1 370 . 17 1 1 A 38 38 GLU C C 38 176.246 174.195 2.051 1
1 371 . 17 1 1 A 39 39 LYS N N 39 123.884 120.961 2.923 1
1 372 . 17 1 1 A 39 39 LYS H H 39 8.420 8.441 -0.021 1
1 373 . 17 1 1 A 39 39 LYS CA C 39 54.071 52.732 1.339 1
1 374 . 17 1 1 A 39 39 LYS HA H 39 4.590 4.799 -0.209 1
1 375 . 17 1 1 A 39 39 LYS CB C 39 32.486 34.032 -1.546 1
1 387 . 17 1 1 A 39 39 LYS C C 39 174.070 176.340 -2.270 1
1 388 . 17 1 1 A 40 40 PRO CA C 40 63.186 64.069 -0.883 1
1 389 . 17 1 1 A 40 40 PRO HA H 40 4.436 4.442 -0.006 1
1 390 . 17 1 1 A 40 40 PRO CB C 40 32.163 32.092 0.071 1
1 399 . 17 1 1 A 41 41 SER N N 41 116.479 113.067 3.412 1
1 400 . 17 1 1 A 41 41 SER H H 41 8.459 8.210 0.249 1
1 401 . 17 1 1 A 41 41 SER CA C 41 58.355 61.550 -3.195 1
1 402 . 17 1 1 A 41 41 SER HA H 41 4.461 4.143 0.318 1
1 403 . 17 1 1 A 41 41 SER CB C 41 63.936 62.883 1.053 1
1 406 . 17 1 1 A 42 42 GLY N N 42 110.647 109.879 0.768 1
1 407 . 17 1 1 A 42 42 GLY H H 42 8.218 7.845 0.373 1
1 408 . 17 1 1 A 42 42 GLY CA C 42 44.626 43.941 0.685 1
1 409 . 17 1 1 A 42 42 GLY HA2 H 42 4.134 4.053 0.081 1
1 410 . 17 1 1 A 42 42 GLY HA3 H 42 4.086 4.054 0.032 1
1 411 . 17 1 1 A 43 43 PRO CA C 43 63.176 63.826 -0.650 1
1 412 . 17 1 1 A 43 43 PRO HA H 43 4.434 4.515 -0.081 1
1 413 . 17 1 1 A 43 43 PRO CB C 43 32.113 31.709 0.404 1
1 422 . 17 1 1 A 44 44 SER N N 44 116.453 115.695 0.758 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.784 60.216 1.568 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.319 5.054 -0.735 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.847 70.401 -0.554 1
1 9 . 18 1 1 A 8 8 THR C C 8 175.419 174.360 1.059 1
1 10 . 18 1 1 A 9 9 GLY N N 9 110.845 109.713 1.132 1
1 11 . 18 1 1 A 9 9 GLY H H 9 8.420 8.666 -0.246 1
1 12 . 18 1 1 A 9 9 GLY CA C 9 45.170 45.504 -0.334 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.904 4.001 -0.097 1
1 14 . 18 1 1 A 9 9 GLY HA3 H 9 3.904 4.011 -0.107 1
1 15 . 18 1 1 A 9 9 GLY C C 9 174.056 172.771 1.285 1
1 16 . 18 1 1 A 10 10 GLU N N 10 120.245 124.908 -4.663 1
1 17 . 18 1 1 A 10 10 GLU H H 10 8.182 8.847 -0.665 1
1 18 . 18 1 1 A 10 10 GLU CA C 10 56.868 55.134 1.734 1
1 19 . 18 1 1 A 10 10 GLU HA H 10 4.130 4.720 -0.590 1
1 20 . 18 1 1 A 10 10 GLU CB C 10 30.270 30.453 -0.183 1
1 26 . 18 1 1 A 10 10 GLU C C 10 176.191 175.591 0.600 1
1 27 . 18 1 1 A 11 11 LYS N N 11 121.318 122.012 -0.694 1
1 28 . 18 1 1 A 11 11 LYS H H 11 8.244 7.288 0.956 1
1 29 . 18 1 1 A 11 11 LYS CA C 11 53.800 53.962 -0.162 1
1 30 . 18 1 1 A 11 11 LYS HA H 11 4.483 4.453 0.030 1
1 31 . 18 1 1 A 11 11 LYS CB C 11 32.900 31.892 1.008 1
1 43 . 18 1 1 A 11 11 LYS C C 11 174.450 176.468 -2.018 1
1 44 . 18 1 1 A 12 12 PRO CA C 12 63.627 63.993 -0.366 1
1 45 . 18 1 1 A 12 12 PRO HA H 12 4.275 4.287 -0.012 1
1 46 . 18 1 1 A 12 12 PRO CB C 12 32.265 31.224 1.041 1
1 55 . 18 1 1 A 12 12 PRO C C 12 176.363 175.702 0.661 1
1 56 . 18 1 1 A 13 13 TYR N N 13 118.698 118.491 0.207 1
1 57 . 18 1 1 A 13 13 TYR H H 13 7.867 7.576 0.291 1
1 58 . 18 1 1 A 13 13 TYR CA C 13 57.667 56.586 1.081 1
1 59 . 18 1 1 A 13 13 TYR HA H 13 4.544 5.207 -0.663 1
1 60 . 18 1 1 A 13 13 TYR CB C 13 38.526 40.332 -1.806 1
1 71 . 18 1 1 A 13 13 TYR C C 13 174.411 174.101 0.310 1
1 72 . 18 1 1 A 14 14 LYS N N 14 124.941 125.529 -0.588 1
1 73 . 18 1 1 A 14 14 LYS H H 14 8.654 9.132 -0.478 1
1 74 . 18 1 1 A 14 14 LYS CA C 14 54.893 54.447 0.446 1
1 75 . 18 1 1 A 14 14 LYS HA H 14 4.963 5.455 -0.492 1
1 76 . 18 1 1 A 14 14 LYS CB C 14 35.303 36.068 -0.765 1
1 88 . 18 1 1 A 14 14 LYS C C 14 175.030 175.148 -0.118 1
1 89 . 18 1 1 A 15 15 CYS N N 15 126.764 124.441 2.323 1
1 90 . 18 1 1 A 15 15 CYS H H 15 9.018 9.350 -0.332 1
1 91 . 18 1 1 A 15 15 CYS CA C 15 59.556 59.901 -0.345 1
1 92 . 18 1 1 A 15 15 CYS HA H 15 4.477 4.496 -0.019 1
1 93 . 18 1 1 A 15 15 CYS CB C 15 29.711 28.437 1.274 1
1 96 . 18 1 1 A 15 15 CYS C C 15 176.438 175.427 1.011 1
1 97 . 18 1 1 A 16 16 ASP N N 16 130.452 125.007 5.445 1
1 98 . 18 1 1 A 16 16 ASP H H 16 9.146 9.176 -0.030 1
1 99 . 18 1 1 A 16 16 ASP CA C 16 56.059 54.301 1.758 1
1 100 . 18 1 1 A 16 16 ASP HA H 16 4.418 5.002 -0.584 1
1 101 . 18 1 1 A 16 16 ASP CB C 16 40.594 41.415 -0.821 1
1 104 . 18 1 1 A 16 16 ASP C C 16 175.426 176.280 -0.854 1
1 105 . 18 1 1 A 17 17 VAL N N 17 120.987 119.124 1.863 1
1 106 . 18 1 1 A 17 17 VAL H H 17 8.652 8.166 0.486 1
1 107 . 18 1 1 A 17 17 VAL CA C 17 64.823 63.124 1.699 1
1 108 . 18 1 1 A 17 17 VAL HA H 17 3.696 4.366 -0.670 1
1 109 . 18 1 1 A 17 17 VAL CB C 17 33.002 34.210 -1.208 1
1 119 . 18 1 1 A 17 17 VAL C C 17 176.458 176.812 -0.354 1
1 120 . 18 1 1 A 18 18 CYS N N 18 115.671 118.377 -2.706 1
1 121 . 18 1 1 A 18 18 CYS H H 18 7.886 7.972 -0.086 1
1 122 . 18 1 1 A 18 18 CYS CA C 18 57.837 58.165 -0.328 1
1 123 . 18 1 1 A 18 18 CYS HA H 18 4.894 4.319 0.575 1
1 124 . 18 1 1 A 18 18 CYS CB C 18 31.838 29.873 1.965 1
1 127 . 18 1 1 A 18 18 CYS C C 18 175.672 175.019 0.653 1
1 128 . 18 1 1 A 19 19 HIS N N 19 116.359 115.474 0.885 1
1 129 . 18 1 1 A 19 19 HIS H H 19 7.660 8.191 -0.531 1
1 130 . 18 1 1 A 19 19 HIS CA C 19 57.841 57.125 0.716 1
1 131 . 18 1 1 A 19 19 HIS HA H 19 4.496 4.295 0.201 1
1 132 . 18 1 1 A 19 19 HIS CB C 19 27.348 26.702 0.646 1
1 139 . 18 1 1 A 19 19 HIS C C 19 174.238 174.264 -0.026 1
1 140 . 18 1 1 A 20 20 LYS N N 20 122.372 119.108 3.264 1
1 141 . 18 1 1 A 20 20 LYS H H 20 7.838 7.857 -0.019 1
1 142 . 18 1 1 A 20 20 LYS CA C 20 57.897 55.209 2.688 1
1 143 . 18 1 1 A 20 20 LYS HA H 20 4.131 4.221 -0.090 1
1 144 . 18 1 1 A 20 20 LYS CB C 20 34.042 32.496 1.546 1
1 156 . 18 1 1 A 20 20 LYS C C 20 174.512 175.834 -1.322 1
1 157 . 18 1 1 A 21 21 SER N N 21 115.643 120.735 -5.092 1
1 158 . 18 1 1 A 21 21 SER H H 21 7.862 8.413 -0.551 1
1 159 . 18 1 1 A 21 21 SER CA C 21 56.970 58.233 -1.263 1
1 160 . 18 1 1 A 21 21 SER HA H 21 5.289 4.438 0.851 1
1 161 . 18 1 1 A 21 21 SER CB C 21 66.008 64.179 1.829 1
1 164 . 18 1 1 A 21 21 SER C C 21 173.011 174.131 -1.120 1
1 165 . 18 1 1 A 22 22 PHE N N 22 117.902 119.296 -1.394 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.876 9.024 -0.148 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.348 56.239 1.109 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.673 5.070 -0.397 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 43.619 41.090 2.529 1
1 182 . 18 1 1 A 22 22 PHE C C 22 174.751 175.942 -1.191 1
1 183 . 18 1 1 A 23 23 ARG CA C 23 58.414 58.992 -0.578 1
1 184 . 18 1 1 A 23 23 ARG HA H 23 4.207 4.156 0.051 1
1 185 . 18 1 1 A 23 23 ARG CB C 23 31.078 30.526 0.552 1
1 194 . 18 1 1 A 23 23 ARG C C 23 175.172 175.426 -0.254 1
1 195 . 18 1 1 A 24 24 TYR N N 24 112.481 117.642 -5.161 1
1 196 . 18 1 1 A 24 24 TYR H H 24 7.392 8.251 -0.859 1
1 197 . 18 1 1 A 24 24 TYR CA C 24 55.424 56.721 -1.297 1
1 198 . 18 1 1 A 24 24 TYR HA H 24 4.990 4.951 0.039 1
1 199 . 18 1 1 A 24 24 TYR CB C 24 41.056 40.705 0.351 1
1 210 . 18 1 1 A 24 24 TYR C C 24 176.547 176.384 0.163 1
1 211 . 18 1 1 A 25 25 GLY N N 25 113.229 112.148 1.081 1
1 212 . 18 1 1 A 25 25 GLY H H 25 8.444 8.322 0.122 1
1 213 . 18 1 1 A 25 25 GLY CA C 25 46.807 46.663 0.144 1
1 214 . 18 1 1 A 25 25 GLY HA2 H 25 3.339 2.751 0.588 1
1 215 . 18 1 1 A 25 25 GLY HA3 H 25 2.763 2.793 -0.030 1
1 216 . 18 1 1 A 25 25 GLY C C 25 176.648 175.977 0.671 1
1 217 . 18 1 1 A 26 26 SER CA C 26 60.443 62.663 -2.220 1
1 218 . 18 1 1 A 26 26 SER HA H 26 4.070 4.174 -0.104 1
1 219 . 18 1 1 A 26 26 SER CB C 26 61.509 62.592 -1.083 1
1 222 . 18 1 1 A 27 27 SER N N 27 117.119 117.673 -0.554 1
1 223 . 18 1 1 A 27 27 SER H H 27 6.975 7.954 -0.979 1
1 224 . 18 1 1 A 27 27 SER CA C 27 60.612 62.226 -1.614 1
1 225 . 18 1 1 A 27 27 SER HA H 27 4.193 3.994 0.199 1
1 226 . 18 1 1 A 27 27 SER CB C 27 62.516 63.071 -0.555 1
1 229 . 18 1 1 A 28 28 LEU N N 28 123.770 122.327 1.443 1
1 230 . 18 1 1 A 28 28 LEU H H 28 7.044 7.384 -0.340 1
1 231 . 18 1 1 A 28 28 LEU CA C 28 57.811 57.825 -0.014 1
1 232 . 18 1 1 A 28 28 LEU HA H 28 3.243 2.423 0.820 1
1 233 . 18 1 1 A 28 28 LEU CB C 28 40.095 41.752 -1.657 1
1 246 . 18 1 1 A 28 28 LEU C C 28 177.169 178.267 -1.098 1
1 247 . 18 1 1 A 29 29 THR N N 29 116.170 113.446 2.724 1
1 248 . 18 1 1 A 29 29 THR H H 29 8.074 7.391 0.683 1
1 249 . 18 1 1 A 29 29 THR CA C 29 66.661 66.625 0.036 1
1 250 . 18 1 1 A 29 29 THR HA H 29 3.920 3.852 0.068 1
1 251 . 18 1 1 A 29 29 THR CB C 29 68.519 68.355 0.164 1
1 257 . 18 1 1 A 29 29 THR C C 29 176.819 176.725 0.094 1
1 258 . 18 1 1 A 30 30 VAL N N 30 119.670 120.909 -1.239 1
1 259 . 18 1 1 A 30 30 VAL H H 30 7.348 7.956 -0.608 1
1 260 . 18 1 1 A 30 30 VAL CA C 30 66.447 66.019 0.428 1
1 261 . 18 1 1 A 30 30 VAL HA H 30 3.514 3.668 -0.154 1
1 262 . 18 1 1 A 30 30 VAL CB C 30 32.129 31.601 0.528 1
1 272 . 18 1 1 A 30 30 VAL C C 30 178.591 178.282 0.309 1
1 273 . 18 1 1 A 31 31 HIS N N 31 120.141 120.368 -0.227 1
1 274 . 18 1 1 A 31 31 HIS H H 31 7.568 7.950 -0.382 1
1 275 . 18 1 1 A 31 31 HIS CA C 31 59.358 59.106 0.252 1
1 276 . 18 1 1 A 31 31 HIS HA H 31 4.126 4.185 -0.059 1
1 277 . 18 1 1 A 31 31 HIS CB C 31 28.376 29.890 -1.514 1
1 284 . 18 1 1 A 31 31 HIS C C 31 176.177 177.422 -1.245 1
1 285 . 18 1 1 A 32 32 GLN N N 32 114.511 118.088 -3.577 1
1 286 . 18 1 1 A 32 32 GLN H H 32 8.405 8.387 0.018 1
1 287 . 18 1 1 A 32 32 GLN CA C 32 59.401 58.588 0.813 1
1 288 . 18 1 1 A 32 32 GLN HA H 32 3.641 3.990 -0.349 1
1 289 . 18 1 1 A 32 32 GLN CB C 32 28.353 28.169 0.184 1
1 298 . 18 1 1 A 32 32 GLN C C 32 177.404 178.717 -1.313 1
1 299 . 18 1 1 A 33 33 ARG N N 33 117.508 119.367 -1.859 1
1 300 . 18 1 1 A 33 33 ARG H H 33 7.166 7.672 -0.506 1
1 301 . 18 1 1 A 33 33 ARG CA C 33 58.468 58.810 -0.342 1
1 302 . 18 1 1 A 33 33 ARG HA H 33 4.118 4.003 0.115 1
1 303 . 18 1 1 A 33 33 ARG CB C 33 30.021 29.934 0.087 1
1 312 . 18 1 1 A 33 33 ARG C C 33 178.686 178.905 -0.219 1
1 313 . 18 1 1 A 34 34 ILE N N 34 115.983 117.215 -1.232 1
1 314 . 18 1 1 A 34 34 ILE H H 34 7.823 7.234 0.589 1
1 315 . 18 1 1 A 34 34 ILE CA C 34 63.142 63.728 -0.586 1
1 316 . 18 1 1 A 34 34 ILE HA H 34 3.945 3.811 0.134 1
1 317 . 18 1 1 A 34 34 ILE CB C 34 37.712 36.917 0.795 1
1 330 . 18 1 1 A 34 34 ILE C C 34 177.354 177.129 0.225 1
1 331 . 18 1 1 A 35 35 HIS N N 35 117.112 119.494 -2.382 1
1 332 . 18 1 1 A 35 35 HIS H H 35 7.179 7.882 -0.703 1
1 333 . 18 1 1 A 35 35 HIS CA C 35 54.859 57.851 -2.992 1
1 334 . 18 1 1 A 35 35 HIS HA H 35 4.905 4.477 0.428 1
1 335 . 18 1 1 A 35 35 HIS CB C 35 28.376 30.834 -2.458 1
1 342 . 18 1 1 A 35 35 HIS C C 35 175.680 175.307 0.373 1
1 343 . 18 1 1 A 36 36 THR N N 36 112.051 114.253 -2.202 1
1 344 . 18 1 1 A 36 36 THR H H 36 7.737 7.474 0.263 1
1 345 . 18 1 1 A 36 36 THR CA C 36 62.670 59.633 3.037 1
1 346 . 18 1 1 A 36 36 THR HA H 36 4.312 4.685 -0.373 1
1 347 . 18 1 1 A 36 36 THR CB C 36 69.743 71.284 -1.541 1
1 353 . 18 1 1 A 36 36 THR C C 36 175.483 173.212 2.271 1
1 354 . 18 1 1 A 37 37 GLY N N 37 110.845 114.506 -3.661 1
1 355 . 18 1 1 A 37 37 GLY H H 37 8.289 8.843 -0.554 1
1 356 . 18 1 1 A 37 37 GLY CA C 37 45.151 44.998 0.153 1
1 357 . 18 1 1 A 37 37 GLY HA2 H 37 3.988 4.199 -0.211 1
1 358 . 18 1 1 A 37 37 GLY HA3 H 37 3.945 4.201 -0.256 1
1 359 . 18 1 1 A 37 37 GLY C C 37 174.025 172.212 1.813 1
1 360 . 18 1 1 A 38 38 GLU N N 38 120.598 126.452 -5.854 1
1 361 . 18 1 1 A 38 38 GLU H H 38 8.039 8.907 -0.868 1
1 362 . 18 1 1 A 38 38 GLU CA C 38 56.442 55.330 1.112 1
1 363 . 18 1 1 A 38 38 GLU HA H 38 4.220 5.028 -0.808 1
1 364 . 18 1 1 A 38 38 GLU CB C 38 30.525 31.527 -1.002 1
1 370 . 18 1 1 A 38 38 GLU C C 38 176.246 175.078 1.168 1
1 371 . 18 1 1 A 39 39 LYS N N 39 123.884 124.717 -0.833 1
1 372 . 18 1 1 A 39 39 LYS H H 39 8.420 8.714 -0.294 1
1 373 . 18 1 1 A 39 39 LYS CA C 39 54.071 52.791 1.280 1
1 374 . 18 1 1 A 39 39 LYS HA H 39 4.590 4.760 -0.170 1
1 375 . 18 1 1 A 39 39 LYS CB C 39 32.486 36.019 -3.533 1
1 387 . 18 1 1 A 39 39 LYS C C 39 174.070 174.728 -0.658 1
1 388 . 18 1 1 A 40 40 PRO CA C 40 63.186 62.661 0.525 1
1 389 . 18 1 1 A 40 40 PRO HA H 40 4.436 4.741 -0.305 1
1 390 . 18 1 1 A 40 40 PRO CB C 40 32.163 33.092 -0.929 1
1 399 . 18 1 1 A 41 41 SER N N 41 116.479 115.183 1.296 1
1 400 . 18 1 1 A 41 41 SER H H 41 8.459 8.443 0.016 1
1 401 . 18 1 1 A 41 41 SER CA C 41 58.355 57.846 0.509 1
1 402 . 18 1 1 A 41 41 SER HA H 41 4.461 5.079 -0.618 1
1 403 . 18 1 1 A 41 41 SER CB C 41 63.936 65.389 -1.453 1
1 406 . 18 1 1 A 42 42 GLY N N 42 110.647 112.950 -2.303 1
1 407 . 18 1 1 A 42 42 GLY H H 42 8.218 8.526 -0.308 1
1 408 . 18 1 1 A 42 42 GLY CA C 42 44.626 44.480 0.146 1
1 409 . 18 1 1 A 42 42 GLY HA2 H 42 4.134 4.076 0.058 1
1 410 . 18 1 1 A 42 42 GLY HA3 H 42 4.086 4.076 0.010 1
1 411 . 18 1 1 A 43 43 PRO CA C 43 63.176 63.902 -0.726 1
1 412 . 18 1 1 A 43 43 PRO HA H 43 4.434 4.493 -0.059 1
1 413 . 18 1 1 A 43 43 PRO CB C 43 32.113 31.766 0.347 1
1 422 . 18 1 1 A 44 44 SER N N 44 116.453 113.974 2.479 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.784 61.253 0.531 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.319 4.787 -0.468 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.847 69.591 0.256 1
1 9 . 19 1 1 A 8 8 THR C C 8 175.419 174.964 0.455 1
1 10 . 19 1 1 A 9 9 GLY N N 9 110.845 115.041 -4.196 1
1 11 . 19 1 1 A 9 9 GLY H H 9 8.420 8.433 -0.013 1
1 12 . 19 1 1 A 9 9 GLY CA C 9 45.170 45.734 -0.564 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.904 4.078 -0.174 1
1 14 . 19 1 1 A 9 9 GLY HA3 H 9 3.904 4.086 -0.182 1
1 15 . 19 1 1 A 9 9 GLY C C 9 174.056 173.951 0.105 1
1 16 . 19 1 1 A 10 10 GLU N N 10 120.245 119.306 0.939 1
1 17 . 19 1 1 A 10 10 GLU H H 10 8.182 8.399 -0.217 1
1 18 . 19 1 1 A 10 10 GLU CA C 10 56.868 55.724 1.144 1
1 19 . 19 1 1 A 10 10 GLU HA H 10 4.130 4.881 -0.751 1
1 20 . 19 1 1 A 10 10 GLU CB C 10 30.270 31.019 -0.749 1
1 26 . 19 1 1 A 10 10 GLU C C 10 176.191 175.526 0.665 1
1 27 . 19 1 1 A 11 11 LYS N N 11 121.318 122.715 -1.397 1
1 28 . 19 1 1 A 11 11 LYS H H 11 8.244 8.393 -0.149 1
1 29 . 19 1 1 A 11 11 LYS CA C 11 53.800 53.009 0.791 1
1 30 . 19 1 1 A 11 11 LYS HA H 11 4.483 4.796 -0.313 1
1 31 . 19 1 1 A 11 11 LYS CB C 11 32.900 33.977 -1.077 1
1 43 . 19 1 1 A 11 11 LYS C C 11 174.450 176.090 -1.640 1
1 44 . 19 1 1 A 12 12 PRO CA C 12 63.627 63.959 -0.332 1
1 45 . 19 1 1 A 12 12 PRO HA H 12 4.275 4.287 -0.012 1
1 46 . 19 1 1 A 12 12 PRO CB C 12 32.265 31.292 0.973 1
1 55 . 19 1 1 A 12 12 PRO C C 12 176.363 175.770 0.593 1
1 56 . 19 1 1 A 13 13 TYR N N 13 118.698 118.480 0.218 1
1 57 . 19 1 1 A 13 13 TYR H H 13 7.867 7.143 0.724 1
1 58 . 19 1 1 A 13 13 TYR CA C 13 57.667 56.754 0.913 1
1 59 . 19 1 1 A 13 13 TYR HA H 13 4.544 5.132 -0.588 1
1 60 . 19 1 1 A 13 13 TYR CB C 13 38.526 40.060 -1.534 1
1 71 . 19 1 1 A 13 13 TYR C C 13 174.411 174.145 0.266 1
1 72 . 19 1 1 A 14 14 LYS N N 14 124.941 125.388 -0.447 1
1 73 . 19 1 1 A 14 14 LYS H H 14 8.654 9.130 -0.476 1
1 74 . 19 1 1 A 14 14 LYS CA C 14 54.893 54.454 0.439 1
1 75 . 19 1 1 A 14 14 LYS HA H 14 4.963 5.517 -0.554 1
1 76 . 19 1 1 A 14 14 LYS CB C 14 35.303 35.897 -0.594 1
1 88 . 19 1 1 A 14 14 LYS C C 14 175.030 175.100 -0.070 1
1 89 . 19 1 1 A 15 15 CYS N N 15 126.764 124.602 2.162 1
1 90 . 19 1 1 A 15 15 CYS H H 15 9.018 9.377 -0.359 1
1 91 . 19 1 1 A 15 15 CYS CA C 15 59.556 59.708 -0.152 1
1 92 . 19 1 1 A 15 15 CYS HA H 15 4.477 4.530 -0.053 1
1 93 . 19 1 1 A 15 15 CYS CB C 15 29.711 28.953 0.758 1
1 96 . 19 1 1 A 15 15 CYS C C 15 176.438 175.009 1.429 1
1 97 . 19 1 1 A 16 16 ASP N N 16 130.452 124.971 5.481 1
1 98 . 19 1 1 A 16 16 ASP H H 16 9.146 9.131 0.015 1
1 99 . 19 1 1 A 16 16 ASP CA C 16 56.059 54.532 1.527 1
1 100 . 19 1 1 A 16 16 ASP HA H 16 4.418 4.965 -0.547 1
1 101 . 19 1 1 A 16 16 ASP CB C 16 40.594 41.715 -1.121 1
1 104 . 19 1 1 A 16 16 ASP C C 16 175.426 176.566 -1.140 1
1 105 . 19 1 1 A 17 17 VAL N N 17 120.987 118.363 2.624 1
1 106 . 19 1 1 A 17 17 VAL H H 17 8.652 8.032 0.620 1
1 107 . 19 1 1 A 17 17 VAL CA C 17 64.823 63.649 1.174 1
1 108 . 19 1 1 A 17 17 VAL HA H 17 3.696 4.270 -0.574 1
1 109 . 19 1 1 A 17 17 VAL CB C 17 33.002 33.374 -0.372 1
1 119 . 19 1 1 A 17 17 VAL C C 17 176.458 176.697 -0.239 1
1 120 . 19 1 1 A 18 18 CYS N N 18 115.671 118.116 -2.445 1
1 121 . 19 1 1 A 18 18 CYS H H 18 7.886 7.853 0.033 1
1 122 . 19 1 1 A 18 18 CYS CA C 18 57.837 58.254 -0.417 1
1 123 . 19 1 1 A 18 18 CYS HA H 18 4.894 4.284 0.610 1
1 124 . 19 1 1 A 18 18 CYS CB C 18 31.838 29.731 2.107 1
1 127 . 19 1 1 A 18 18 CYS C C 18 175.672 175.031 0.641 1
1 128 . 19 1 1 A 19 19 HIS N N 19 116.359 115.290 1.069 1
1 129 . 19 1 1 A 19 19 HIS H H 19 7.660 8.095 -0.435 1
1 130 . 19 1 1 A 19 19 HIS CA C 19 57.841 57.217 0.624 1
1 131 . 19 1 1 A 19 19 HIS HA H 19 4.496 4.282 0.214 1
1 132 . 19 1 1 A 19 19 HIS CB C 19 27.348 26.683 0.665 1
1 139 . 19 1 1 A 19 19 HIS C C 19 174.238 174.145 0.093 1
1 140 . 19 1 1 A 20 20 LYS N N 20 122.372 119.118 3.254 1
1 141 . 19 1 1 A 20 20 LYS H H 20 7.838 7.926 -0.088 1
1 142 . 19 1 1 A 20 20 LYS CA C 20 57.897 55.316 2.581 1
1 143 . 19 1 1 A 20 20 LYS HA H 20 4.131 4.259 -0.128 1
1 144 . 19 1 1 A 20 20 LYS CB C 20 34.042 32.466 1.576 1
1 156 . 19 1 1 A 20 20 LYS C C 20 174.512 175.885 -1.373 1
1 157 . 19 1 1 A 21 21 SER N N 21 115.643 120.595 -4.952 1
1 158 . 19 1 1 A 21 21 SER H H 21 7.862 8.396 -0.534 1
1 159 . 19 1 1 A 21 21 SER CA C 21 56.970 58.037 -1.067 1
1 160 . 19 1 1 A 21 21 SER HA H 21 5.289 4.456 0.833 1
1 161 . 19 1 1 A 21 21 SER CB C 21 66.008 64.274 1.734 1
1 164 . 19 1 1 A 21 21 SER C C 21 173.011 174.162 -1.151 1
1 165 . 19 1 1 A 22 22 PHE N N 22 117.902 119.294 -1.392 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.876 9.026 -0.150 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.348 56.243 1.105 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.673 5.018 -0.345 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 43.619 41.526 2.093 1
1 182 . 19 1 1 A 22 22 PHE C C 22 174.751 175.870 -1.119 1
1 183 . 19 1 1 A 23 23 ARG CA C 23 58.414 59.138 -0.724 1
1 184 . 19 1 1 A 23 23 ARG HA H 23 4.207 4.204 0.003 1
1 185 . 19 1 1 A 23 23 ARG CB C 23 31.078 30.713 0.365 1
1 194 . 19 1 1 A 23 23 ARG C C 23 175.172 175.557 -0.385 1
1 195 . 19 1 1 A 24 24 TYR N N 24 112.481 117.320 -4.839 1
1 196 . 19 1 1 A 24 24 TYR H H 24 7.392 8.306 -0.914 1
1 197 . 19 1 1 A 24 24 TYR CA C 24 55.424 56.269 -0.845 1
1 198 . 19 1 1 A 24 24 TYR HA H 24 4.990 5.065 -0.075 1
1 199 . 19 1 1 A 24 24 TYR CB C 24 41.056 41.142 -0.086 1
1 210 . 19 1 1 A 24 24 TYR C C 24 176.547 176.268 0.279 1
1 211 . 19 1 1 A 25 25 GLY N N 25 113.229 111.693 1.536 1
1 212 . 19 1 1 A 25 25 GLY H H 25 8.444 8.166 0.278 1
1 213 . 19 1 1 A 25 25 GLY CA C 25 46.807 46.637 0.170 1
1 214 . 19 1 1 A 25 25 GLY HA2 H 25 3.339 2.816 0.523 1
1 215 . 19 1 1 A 25 25 GLY HA3 H 25 2.763 2.892 -0.129 1
1 216 . 19 1 1 A 25 25 GLY C C 25 176.648 175.775 0.873 1
1 217 . 19 1 1 A 26 26 SER CA C 26 60.443 61.366 -0.923 1
1 218 . 19 1 1 A 26 26 SER HA H 26 4.070 4.041 0.029 1
1 219 . 19 1 1 A 26 26 SER CB C 26 61.509 62.714 -1.205 1
1 222 . 19 1 1 A 27 27 SER N N 27 117.119 117.345 -0.226 1
1 223 . 19 1 1 A 27 27 SER H H 27 6.975 7.983 -1.008 1
1 224 . 19 1 1 A 27 27 SER CA C 27 60.612 62.270 -1.658 1
1 225 . 19 1 1 A 27 27 SER HA H 27 4.193 4.020 0.173 1
1 226 . 19 1 1 A 27 27 SER CB C 27 62.516 63.115 -0.599 1
1 229 . 19 1 1 A 28 28 LEU N N 28 123.770 122.221 1.549 1
1 230 . 19 1 1 A 28 28 LEU H H 28 7.044 7.345 -0.301 1
1 231 . 19 1 1 A 28 28 LEU CA C 28 57.811 57.716 0.095 1
1 232 . 19 1 1 A 28 28 LEU HA H 28 3.243 2.293 0.950 1
1 233 . 19 1 1 A 28 28 LEU CB C 28 40.095 41.611 -1.516 1
1 246 . 19 1 1 A 28 28 LEU C C 28 177.169 178.355 -1.186 1
1 247 . 19 1 1 A 29 29 THR N N 29 116.170 113.437 2.733 1
1 248 . 19 1 1 A 29 29 THR H H 29 8.074 7.427 0.647 1
1 249 . 19 1 1 A 29 29 THR CA C 29 66.661 66.613 0.048 1
1 250 . 19 1 1 A 29 29 THR HA H 29 3.920 3.848 0.072 1
1 251 . 19 1 1 A 29 29 THR CB C 29 68.519 68.506 0.013 1
1 257 . 19 1 1 A 29 29 THR C C 29 176.819 176.668 0.151 1
1 258 . 19 1 1 A 30 30 VAL N N 30 119.670 120.901 -1.231 1
1 259 . 19 1 1 A 30 30 VAL H H 30 7.348 7.998 -0.650 1
1 260 . 19 1 1 A 30 30 VAL CA C 30 66.447 65.895 0.552 1
1 261 . 19 1 1 A 30 30 VAL HA H 30 3.514 3.663 -0.149 1
1 262 . 19 1 1 A 30 30 VAL CB C 30 32.129 31.611 0.518 1
1 272 . 19 1 1 A 30 30 VAL C C 30 178.591 178.424 0.167 1
1 273 . 19 1 1 A 31 31 HIS N N 31 120.141 120.587 -0.446 1
1 274 . 19 1 1 A 31 31 HIS H H 31 7.568 7.931 -0.363 1
1 275 . 19 1 1 A 31 31 HIS CA C 31 59.358 58.881 0.477 1
1 276 . 19 1 1 A 31 31 HIS HA H 31 4.126 4.211 -0.085 1
1 277 . 19 1 1 A 31 31 HIS CB C 31 28.376 30.095 -1.719 1
1 284 . 19 1 1 A 31 31 HIS C C 31 176.177 177.193 -1.016 1
1 285 . 19 1 1 A 32 32 GLN N N 32 114.511 118.255 -3.744 1
1 286 . 19 1 1 A 32 32 GLN H H 32 8.405 8.468 -0.063 1
1 287 . 19 1 1 A 32 32 GLN CA C 32 59.401 58.809 0.592 1
1 288 . 19 1 1 A 32 32 GLN HA H 32 3.641 3.932 -0.291 1
1 289 . 19 1 1 A 32 32 GLN CB C 32 28.353 28.308 0.045 1
1 298 . 19 1 1 A 32 32 GLN C C 32 177.404 178.742 -1.338 1
1 299 . 19 1 1 A 33 33 ARG N N 33 117.508 119.272 -1.764 1
1 300 . 19 1 1 A 33 33 ARG H H 33 7.166 7.775 -0.609 1
1 301 . 19 1 1 A 33 33 ARG CA C 33 58.468 58.982 -0.514 1
1 302 . 19 1 1 A 33 33 ARG HA H 33 4.118 3.991 0.127 1
1 303 . 19 1 1 A 33 33 ARG CB C 33 30.021 29.957 0.064 1
1 312 . 19 1 1 A 33 33 ARG C C 33 178.686 178.668 0.018 1
1 313 . 19 1 1 A 34 34 ILE N N 34 115.983 116.484 -0.501 1
1 314 . 19 1 1 A 34 34 ILE H H 34 7.823 7.249 0.574 1
1 315 . 19 1 1 A 34 34 ILE CA C 34 63.142 64.053 -0.911 1
1 316 . 19 1 1 A 34 34 ILE HA H 34 3.945 3.761 0.184 1
1 317 . 19 1 1 A 34 34 ILE CB C 34 37.712 36.988 0.724 1
1 330 . 19 1 1 A 34 34 ILE C C 34 177.354 177.462 -0.108 1
1 331 . 19 1 1 A 35 35 HIS N N 35 117.112 119.941 -2.829 1
1 332 . 19 1 1 A 35 35 HIS H H 35 7.179 7.904 -0.725 1
1 333 . 19 1 1 A 35 35 HIS CA C 35 54.859 57.995 -3.136 1
1 334 . 19 1 1 A 35 35 HIS HA H 35 4.905 4.429 0.476 1
1 335 . 19 1 1 A 35 35 HIS CB C 35 28.376 30.796 -2.420 1
1 342 . 19 1 1 A 35 35 HIS C C 35 175.680 175.205 0.475 1
1 343 . 19 1 1 A 36 36 THR N N 36 112.051 114.178 -2.127 1
1 344 . 19 1 1 A 36 36 THR H H 36 7.737 7.557 0.180 1
1 345 . 19 1 1 A 36 36 THR CA C 36 62.670 60.073 2.597 1
1 346 . 19 1 1 A 36 36 THR HA H 36 4.312 4.678 -0.366 1
1 347 . 19 1 1 A 36 36 THR CB C 36 69.743 72.337 -2.594 1
1 353 . 19 1 1 A 36 36 THR C C 36 175.483 173.836 1.647 1
1 354 . 19 1 1 A 37 37 GLY N N 37 110.845 115.238 -4.393 1
1 355 . 19 1 1 A 37 37 GLY H H 37 8.289 8.550 -0.261 1
1 356 . 19 1 1 A 37 37 GLY CA C 37 45.151 45.209 -0.058 1
1 357 . 19 1 1 A 37 37 GLY HA2 H 37 3.988 4.090 -0.102 1
1 358 . 19 1 1 A 37 37 GLY HA3 H 37 3.945 4.094 -0.149 1
1 359 . 19 1 1 A 37 37 GLY C C 37 174.025 174.607 -0.582 1
1 360 . 19 1 1 A 38 38 GLU N N 38 120.598 117.582 3.016 1
1 361 . 19 1 1 A 38 38 GLU H H 38 8.039 8.230 -0.191 1
1 362 . 19 1 1 A 38 38 GLU CA C 38 56.442 57.476 -1.034 1
1 363 . 19 1 1 A 38 38 GLU HA H 38 4.220 4.014 0.206 1
1 364 . 19 1 1 A 38 38 GLU CB C 38 30.525 28.488 2.037 1
1 370 . 19 1 1 A 38 38 GLU C C 38 176.246 175.136 1.110 1
1 371 . 19 1 1 A 39 39 LYS N N 39 123.884 119.652 4.232 1
1 372 . 19 1 1 A 39 39 LYS H H 39 8.420 8.050 0.370 1
1 373 . 19 1 1 A 39 39 LYS CA C 39 54.071 52.857 1.214 1
1 374 . 19 1 1 A 39 39 LYS HA H 39 4.590 4.703 -0.113 1
1 375 . 19 1 1 A 39 39 LYS CB C 39 32.486 33.078 -0.592 1
1 387 . 19 1 1 A 39 39 LYS C C 39 174.070 176.257 -2.187 1
1 388 . 19 1 1 A 40 40 PRO CA C 40 63.186 64.325 -1.139 1
1 389 . 19 1 1 A 40 40 PRO HA H 40 4.436 4.528 -0.092 1
1 390 . 19 1 1 A 40 40 PRO CB C 40 32.163 31.677 0.486 1
1 399 . 19 1 1 A 41 41 SER N N 41 116.479 112.860 3.619 1
1 400 . 19 1 1 A 41 41 SER H H 41 8.459 7.729 0.730 1
1 401 . 19 1 1 A 41 41 SER CA C 41 58.355 58.300 0.055 1
1 402 . 19 1 1 A 41 41 SER HA H 41 4.461 4.415 0.046 1
1 403 . 19 1 1 A 41 41 SER CB C 41 63.936 63.495 0.441 1
1 406 . 19 1 1 A 42 42 GLY N N 42 110.647 109.614 1.033 1
1 407 . 19 1 1 A 42 42 GLY H H 42 8.218 8.490 -0.272 1
1 408 . 19 1 1 A 42 42 GLY CA C 42 44.626 45.332 -0.706 1
1 409 . 19 1 1 A 42 42 GLY HA2 H 42 4.134 3.990 0.144 1
1 410 . 19 1 1 A 42 42 GLY HA3 H 42 4.086 3.991 0.095 1
1 411 . 19 1 1 A 43 43 PRO CA C 43 63.176 63.593 -0.417 1
1 412 . 19 1 1 A 43 43 PRO HA H 43 4.434 4.486 -0.052 1
1 413 . 19 1 1 A 43 43 PRO CB C 43 32.113 32.210 -0.097 1
1 422 . 19 1 1 A 44 44 SER N N 44 116.453 114.897 1.556 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.784 62.717 -0.933 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.319 3.844 0.475 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.847 66.676 3.171 1
1 9 . 20 1 1 A 8 8 THR C C 8 175.419 173.287 2.132 1
1 10 . 20 1 1 A 9 9 GLY N N 9 110.845 107.983 2.862 1
1 11 . 20 1 1 A 9 9 GLY H H 9 8.420 8.035 0.385 1
1 12 . 20 1 1 A 9 9 GLY CA C 9 45.170 44.757 0.413 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.904 4.192 -0.288 1
1 14 . 20 1 1 A 9 9 GLY HA3 H 9 3.904 4.197 -0.293 1
1 15 . 20 1 1 A 9 9 GLY C C 9 174.056 172.415 1.641 1
1 16 . 20 1 1 A 10 10 GLU N N 10 120.245 122.306 -2.061 1
1 17 . 20 1 1 A 10 10 GLU H H 10 8.182 9.227 -1.045 1
1 18 . 20 1 1 A 10 10 GLU CA C 10 56.868 54.311 2.557 1
1 19 . 20 1 1 A 10 10 GLU HA H 10 4.130 5.040 -0.910 1
1 20 . 20 1 1 A 10 10 GLU CB C 10 30.270 33.682 -3.412 1
1 26 . 20 1 1 A 10 10 GLU C C 10 176.191 174.742 1.449 1
1 27 . 20 1 1 A 11 11 LYS N N 11 121.318 120.999 0.319 1
1 28 . 20 1 1 A 11 11 LYS H H 11 8.244 8.705 -0.461 1
1 29 . 20 1 1 A 11 11 LYS CA C 11 53.800 52.386 1.414 1
1 30 . 20 1 1 A 11 11 LYS HA H 11 4.483 4.756 -0.273 1
1 31 . 20 1 1 A 11 11 LYS CB C 11 32.900 32.971 -0.071 1
1 43 . 20 1 1 A 11 11 LYS C C 11 174.450 176.135 -1.685 1
1 44 . 20 1 1 A 12 12 PRO CA C 12 63.627 63.896 -0.269 1
1 45 . 20 1 1 A 12 12 PRO HA H 12 4.275 4.308 -0.033 1
1 46 . 20 1 1 A 12 12 PRO CB C 12 32.265 31.236 1.029 1
1 55 . 20 1 1 A 12 12 PRO C C 12 176.363 175.663 0.700 1
1 56 . 20 1 1 A 13 13 TYR N N 13 118.698 118.488 0.210 1
1 57 . 20 1 1 A 13 13 TYR H H 13 7.867 7.501 0.366 1
1 58 . 20 1 1 A 13 13 TYR CA C 13 57.667 56.569 1.098 1
1 59 . 20 1 1 A 13 13 TYR HA H 13 4.544 5.225 -0.681 1
1 60 . 20 1 1 A 13 13 TYR CB C 13 38.526 40.455 -1.929 1
1 71 . 20 1 1 A 13 13 TYR C C 13 174.411 174.137 0.274 1
1 72 . 20 1 1 A 14 14 LYS N N 14 124.941 125.138 -0.197 1
1 73 . 20 1 1 A 14 14 LYS H H 14 8.654 9.000 -0.346 1
1 74 . 20 1 1 A 14 14 LYS CA C 14 54.893 54.556 0.337 1
1 75 . 20 1 1 A 14 14 LYS HA H 14 4.963 5.458 -0.495 1
1 76 . 20 1 1 A 14 14 LYS CB C 14 35.303 36.216 -0.913 1
1 88 . 20 1 1 A 14 14 LYS C C 14 175.030 175.017 0.013 1
1 89 . 20 1 1 A 15 15 CYS N N 15 126.764 124.518 2.246 1
1 90 . 20 1 1 A 15 15 CYS H H 15 9.018 9.370 -0.352 1
1 91 . 20 1 1 A 15 15 CYS CA C 15 59.556 59.849 -0.293 1
1 92 . 20 1 1 A 15 15 CYS HA H 15 4.477 4.477 0.000 1
1 93 . 20 1 1 A 15 15 CYS CB C 15 29.711 28.515 1.196 1
1 96 . 20 1 1 A 15 15 CYS C C 15 176.438 175.202 1.236 1
1 97 . 20 1 1 A 16 16 ASP N N 16 130.452 124.903 5.549 1
1 98 . 20 1 1 A 16 16 ASP H H 16 9.146 9.153 -0.007 1
1 99 . 20 1 1 A 16 16 ASP CA C 16 56.059 54.249 1.810 1
1 100 . 20 1 1 A 16 16 ASP HA H 16 4.418 4.809 -0.391 1
1 101 . 20 1 1 A 16 16 ASP CB C 16 40.594 41.430 -0.836 1
1 104 . 20 1 1 A 16 16 ASP C C 16 175.426 176.359 -0.933 1
1 105 . 20 1 1 A 17 17 VAL N N 17 120.987 119.055 1.932 1
1 106 . 20 1 1 A 17 17 VAL H H 17 8.652 8.182 0.470 1
1 107 . 20 1 1 A 17 17 VAL CA C 17 64.823 63.108 1.715 1
1 108 . 20 1 1 A 17 17 VAL HA H 17 3.696 4.456 -0.760 1
1 109 . 20 1 1 A 17 17 VAL CB C 17 33.002 34.383 -1.381 1
1 119 . 20 1 1 A 17 17 VAL C C 17 176.458 176.825 -0.367 1
1 120 . 20 1 1 A 18 18 CYS N N 18 115.671 118.864 -3.193 1
1 121 . 20 1 1 A 18 18 CYS H H 18 7.886 8.105 -0.219 1
1 122 . 20 1 1 A 18 18 CYS CA C 18 57.837 58.341 -0.504 1
1 123 . 20 1 1 A 18 18 CYS HA H 18 4.894 4.622 0.272 1
1 124 . 20 1 1 A 18 18 CYS CB C 18 31.838 29.772 2.066 1
1 127 . 20 1 1 A 18 18 CYS C C 18 175.672 175.160 0.512 1
1 128 . 20 1 1 A 19 19 HIS N N 19 116.359 115.242 1.117 1
1 129 . 20 1 1 A 19 19 HIS H H 19 7.660 8.340 -0.680 1
1 130 . 20 1 1 A 19 19 HIS CA C 19 57.841 56.978 0.863 1
1 131 . 20 1 1 A 19 19 HIS HA H 19 4.496 4.274 0.222 1
1 132 . 20 1 1 A 19 19 HIS CB C 19 27.348 26.677 0.671 1
1 139 . 20 1 1 A 19 19 HIS C C 19 174.238 174.214 0.024 1
1 140 . 20 1 1 A 20 20 LYS N N 20 122.372 119.115 3.257 1
1 141 . 20 1 1 A 20 20 LYS H H 20 7.838 7.896 -0.058 1
1 142 . 20 1 1 A 20 20 LYS CA C 20 57.897 55.227 2.670 1
1 143 . 20 1 1 A 20 20 LYS HA H 20 4.131 4.210 -0.079 1
1 144 . 20 1 1 A 20 20 LYS CB C 20 34.042 32.493 1.549 1
1 156 . 20 1 1 A 20 20 LYS C C 20 174.512 175.879 -1.367 1
1 157 . 20 1 1 A 21 21 SER N N 21 115.643 120.829 -5.186 1
1 158 . 20 1 1 A 21 21 SER H H 21 7.862 8.405 -0.543 1
1 159 . 20 1 1 A 21 21 SER CA C 21 56.970 58.118 -1.148 1
1 160 . 20 1 1 A 21 21 SER HA H 21 5.289 4.400 0.889 1
1 161 . 20 1 1 A 21 21 SER CB C 21 66.008 64.287 1.721 1
1 164 . 20 1 1 A 21 21 SER C C 21 173.011 174.115 -1.104 1
1 165 . 20 1 1 A 22 22 PHE N N 22 117.902 119.414 -1.512 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.876 8.980 -0.104 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.348 56.446 0.902 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.673 5.091 -0.418 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 43.619 40.846 2.773 1
1 182 . 20 1 1 A 22 22 PHE C C 22 174.751 175.824 -1.073 1
1 183 . 20 1 1 A 23 23 ARG CA C 23 58.414 58.688 -0.274 1
1 184 . 20 1 1 A 23 23 ARG HA H 23 4.207 3.938 0.269 1
1 185 . 20 1 1 A 23 23 ARG CB C 23 31.078 30.228 0.850 1
1 194 . 20 1 1 A 23 23 ARG C C 23 175.172 175.201 -0.029 1
1 195 . 20 1 1 A 24 24 TYR N N 24 112.481 117.258 -4.777 1
1 196 . 20 1 1 A 24 24 TYR H H 24 7.392 8.258 -0.866 1
1 197 . 20 1 1 A 24 24 TYR CA C 24 55.424 56.839 -1.415 1
1 198 . 20 1 1 A 24 24 TYR HA H 24 4.990 4.995 -0.005 1
1 199 . 20 1 1 A 24 24 TYR CB C 24 41.056 40.765 0.291 1
1 210 . 20 1 1 A 24 24 TYR C C 24 176.547 176.356 0.191 1
1 211 . 20 1 1 A 25 25 GLY N N 25 113.229 111.886 1.343 1
1 212 . 20 1 1 A 25 25 GLY H H 25 8.444 8.377 0.067 1
1 213 . 20 1 1 A 25 25 GLY CA C 25 46.807 46.681 0.126 1
1 214 . 20 1 1 A 25 25 GLY HA2 H 25 3.339 2.750 0.589 1
1 215 . 20 1 1 A 25 25 GLY HA3 H 25 2.763 2.833 -0.070 1
1 216 . 20 1 1 A 25 25 GLY C C 25 176.648 175.832 0.816 1
1 217 . 20 1 1 A 26 26 SER CA C 26 60.443 61.294 -0.851 1
1 218 . 20 1 1 A 26 26 SER HA H 26 4.070 4.054 0.016 1
1 219 . 20 1 1 A 26 26 SER CB C 26 61.509 62.350 -0.841 1
1 222 . 20 1 1 A 27 27 SER N N 27 117.119 116.808 0.311 1
1 223 . 20 1 1 A 27 27 SER H H 27 6.975 7.957 -0.982 1
1 224 . 20 1 1 A 27 27 SER CA C 27 60.612 62.204 -1.592 1
1 225 . 20 1 1 A 27 27 SER HA H 27 4.193 4.028 0.165 1
1 226 . 20 1 1 A 27 27 SER CB C 27 62.516 63.093 -0.577 1
1 229 . 20 1 1 A 28 28 LEU N N 28 123.770 122.332 1.438 1
1 230 . 20 1 1 A 28 28 LEU H H 28 7.044 7.380 -0.336 1
1 231 . 20 1 1 A 28 28 LEU CA C 28 57.811 57.778 0.033 1
1 232 . 20 1 1 A 28 28 LEU HA H 28 3.243 2.293 0.950 1
1 233 . 20 1 1 A 28 28 LEU CB C 28 40.095 41.721 -1.626 1
1 246 . 20 1 1 A 28 28 LEU C C 28 177.169 178.244 -1.075 1
1 247 . 20 1 1 A 29 29 THR N N 29 116.170 113.435 2.735 1
1 248 . 20 1 1 A 29 29 THR H H 29 8.074 7.412 0.662 1
1 249 . 20 1 1 A 29 29 THR CA C 29 66.661 66.614 0.047 1
1 250 . 20 1 1 A 29 29 THR HA H 29 3.920 3.848 0.072 1
1 251 . 20 1 1 A 29 29 THR CB C 29 68.519 68.439 0.080 1
1 257 . 20 1 1 A 29 29 THR C C 29 176.819 176.722 0.097 1
1 258 . 20 1 1 A 30 30 VAL N N 30 119.670 120.902 -1.232 1
1 259 . 20 1 1 A 30 30 VAL H H 30 7.348 7.970 -0.622 1
1 260 . 20 1 1 A 30 30 VAL CA C 30 66.447 66.006 0.441 1
1 261 . 20 1 1 A 30 30 VAL HA H 30 3.514 3.685 -0.171 1
1 262 . 20 1 1 A 30 30 VAL CB C 30 32.129 31.614 0.515 1
1 272 . 20 1 1 A 30 30 VAL C C 30 178.591 178.299 0.292 1
1 273 . 20 1 1 A 31 31 HIS N N 31 120.141 120.474 -0.333 1
1 274 . 20 1 1 A 31 31 HIS H H 31 7.568 7.908 -0.340 1
1 275 . 20 1 1 A 31 31 HIS CA C 31 59.358 59.028 0.330 1
1 276 . 20 1 1 A 31 31 HIS HA H 31 4.126 4.215 -0.089 1
1 277 . 20 1 1 A 31 31 HIS CB C 31 28.376 30.063 -1.687 1
1 284 . 20 1 1 A 31 31 HIS C C 31 176.177 177.307 -1.130 1
1 285 . 20 1 1 A 32 32 GLN N N 32 114.511 118.242 -3.731 1
1 286 . 20 1 1 A 32 32 GLN H H 32 8.405 8.394 0.011 1
1 287 . 20 1 1 A 32 32 GLN CA C 32 59.401 58.641 0.760 1
1 288 . 20 1 1 A 32 32 GLN HA H 32 3.641 4.011 -0.370 1
1 289 . 20 1 1 A 32 32 GLN CB C 32 28.353 28.208 0.145 1
1 298 . 20 1 1 A 32 32 GLN C C 32 177.404 178.867 -1.463 1
1 299 . 20 1 1 A 33 33 ARG N N 33 117.508 119.468 -1.960 1
1 300 . 20 1 1 A 33 33 ARG H H 33 7.166 7.802 -0.636 1
1 301 . 20 1 1 A 33 33 ARG CA C 33 58.468 58.782 -0.314 1
1 302 . 20 1 1 A 33 33 ARG HA H 33 4.118 3.986 0.132 1
1 303 . 20 1 1 A 33 33 ARG CB C 33 30.021 29.878 0.143 1
1 312 . 20 1 1 A 33 33 ARG C C 33 178.686 178.727 -0.041 1
1 313 . 20 1 1 A 34 34 ILE N N 34 115.983 117.387 -1.404 1
1 314 . 20 1 1 A 34 34 ILE H H 34 7.823 7.302 0.521 1
1 315 . 20 1 1 A 34 34 ILE CA C 34 63.142 63.997 -0.855 1
1 316 . 20 1 1 A 34 34 ILE HA H 34 3.945 3.747 0.198 1
1 317 . 20 1 1 A 34 34 ILE CB C 34 37.712 36.907 0.805 1
1 330 . 20 1 1 A 34 34 ILE C C 34 177.354 177.418 -0.064 1
1 331 . 20 1 1 A 35 35 HIS N N 35 117.112 119.877 -2.765 1
1 332 . 20 1 1 A 35 35 HIS H H 35 7.179 7.871 -0.692 1
1 333 . 20 1 1 A 35 35 HIS CA C 35 54.859 57.932 -3.073 1
1 334 . 20 1 1 A 35 35 HIS HA H 35 4.905 4.452 0.453 1
1 335 . 20 1 1 A 35 35 HIS CB C 35 28.376 30.760 -2.384 1
1 342 . 20 1 1 A 35 35 HIS C C 35 175.680 175.311 0.369 1
1 343 . 20 1 1 A 36 36 THR N N 36 112.051 113.381 -1.330 1
1 344 . 20 1 1 A 36 36 THR H H 36 7.737 7.623 0.114 1
1 345 . 20 1 1 A 36 36 THR CA C 36 62.670 60.101 2.569 1
1 346 . 20 1 1 A 36 36 THR HA H 36 4.312 4.636 -0.324 1
1 347 . 20 1 1 A 36 36 THR CB C 36 69.743 71.894 -2.151 1
1 353 . 20 1 1 A 36 36 THR C C 36 175.483 175.117 0.366 1
1 354 . 20 1 1 A 37 37 GLY N N 37 110.845 116.234 -5.389 1
1 355 . 20 1 1 A 37 37 GLY H H 37 8.289 8.625 -0.336 1
1 356 . 20 1 1 A 37 37 GLY CA C 37 45.151 45.765 -0.614 1
1 357 . 20 1 1 A 37 37 GLY HA2 H 37 3.988 3.972 0.016 1
1 358 . 20 1 1 A 37 37 GLY HA3 H 37 3.945 3.978 -0.033 1
1 359 . 20 1 1 A 37 37 GLY C C 37 174.025 173.919 0.106 1
1 360 . 20 1 1 A 38 38 GLU N N 38 120.598 121.781 -1.183 1
1 361 . 20 1 1 A 38 38 GLU H H 38 8.039 7.605 0.434 1
1 362 . 20 1 1 A 38 38 GLU CA C 38 56.442 54.876 1.566 1
1 363 . 20 1 1 A 38 38 GLU HA H 38 4.220 4.570 -0.350 1
1 364 . 20 1 1 A 38 38 GLU CB C 38 30.525 31.070 -0.545 1
1 370 . 20 1 1 A 38 38 GLU C C 38 176.246 176.156 0.090 1
1 371 . 20 1 1 A 39 39 LYS N N 39 123.884 126.692 -2.808 1
1 372 . 20 1 1 A 39 39 LYS H H 39 8.420 8.426 -0.006 1
1 373 . 20 1 1 A 39 39 LYS CA C 39 54.071 54.098 -0.027 1
1 374 . 20 1 1 A 39 39 LYS HA H 39 4.590 4.417 0.173 1
1 375 . 20 1 1 A 39 39 LYS CB C 39 32.486 33.346 -0.860 1
1 387 . 20 1 1 A 39 39 LYS C C 39 174.070 176.400 -2.330 1
1 388 . 20 1 1 A 40 40 PRO CA C 40 63.186 64.835 -1.649 1
1 389 . 20 1 1 A 40 40 PRO HA H 40 4.436 4.502 -0.066 1
1 390 . 20 1 1 A 40 40 PRO CB C 40 32.163 32.129 0.034 1
1 399 . 20 1 1 A 41 41 SER N N 41 116.479 113.036 3.443 1
1 400 . 20 1 1 A 41 41 SER H H 41 8.459 7.647 0.812 1
1 401 . 20 1 1 A 41 41 SER CA C 41 58.355 57.862 0.493 1
1 402 . 20 1 1 A 41 41 SER HA H 41 4.461 4.858 -0.397 1
1 403 . 20 1 1 A 41 41 SER CB C 41 63.936 66.657 -2.721 1
1 406 . 20 1 1 A 42 42 GLY N N 42 110.647 110.045 0.602 1
1 407 . 20 1 1 A 42 42 GLY H H 42 8.218 8.679 -0.461 1
1 408 . 20 1 1 A 42 42 GLY CA C 42 44.626 43.836 0.790 1
1 409 . 20 1 1 A 42 42 GLY HA2 H 42 4.134 4.247 -0.113 1
1 410 . 20 1 1 A 42 42 GLY HA3 H 42 4.086 4.248 -0.162 1
1 411 . 20 1 1 A 43 43 PRO CA C 43 63.176 62.785 0.391 1
1 412 . 20 1 1 A 43 43 PRO HA H 43 4.434 4.524 -0.090 1
1 413 . 20 1 1 A 43 43 PRO CB C 43 32.113 31.845 0.268 1
1 422 . 20 1 1 A 44 44 SER N N 44 116.453 119.389 -2.936 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 30 0.923 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.312 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.222 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.424 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.364 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.903 1
7 1 2 1 "RMS(OBS, PRED)" C 30 1.024 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.232 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.435 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.484 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.380 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.659 1
13 1 3 1 "RMS(OBS, PRED)" C 30 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.268 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.501 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.499 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.387 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.718 1
19 1 4 1 "RMS(OBS, PRED)" C 30 1.007 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.554 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.335 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.456 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.357 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.769 1
25 1 5 1 "RMS(OBS, PRED)" C 30 0.921 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.227 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.365 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.481 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.372 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.685 1
31 1 6 1 "RMS(OBS, PRED)" C 30 1.040 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.264 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.296 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.476 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.369 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.658 1
37 1 7 1 "RMS(OBS, PRED)" C 30 1.051 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.470 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.431 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.481 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.410 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.667 1
43 1 8 1 "RMS(OBS, PRED)" C 30 1.030 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.360 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.428 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.524 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.403 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.801 1
49 1 9 1 "RMS(OBS, PRED)" C 30 0.920 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.429 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.498 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.484 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.385 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.931 1
55 1 10 1 "RMS(OBS, PRED)" C 30 1.208 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.409 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.419 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.506 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.391 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.779 1
61 1 11 1 "RMS(OBS, PRED)" C 30 1.189 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.268 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.523 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.482 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.431 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.670 1
67 1 12 1 "RMS(OBS, PRED)" C 30 1.013 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.305 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.435 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.476 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.366 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.980 1
73 1 13 1 "RMS(OBS, PRED)" C 30 1.066 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.292 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.477 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.462 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.401 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.948 1
79 1 14 1 "RMS(OBS, PRED)" C 30 0.956 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.272 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.381 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.502 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.380 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.853 1
85 1 15 1 "RMS(OBS, PRED)" C 30 1.130 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.198 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.367 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.465 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.376 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.744 1
91 1 16 1 "RMS(OBS, PRED)" C 30 1.023 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.289 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.469 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.464 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.380 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.775 1
97 1 17 1 "RMS(OBS, PRED)" C 30 1.007 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.423 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.475 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.472 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.378 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.854 1
103 1 18 1 "RMS(OBS, PRED)" C 30 1.018 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.276 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.384 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.522 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.407 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.817 1
109 1 19 1 "RMS(OBS, PRED)" C 30 0.958 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.133 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.240 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.489 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.368 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.809 1
115 1 20 1 "RMS(OBS, PRED)" C 30 1.032 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.278 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.568 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.525 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.392 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.755 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR CA C 8 61.784 61.897 -0.113 2
1 2 . 1 1 A 8 8 THR HA H 8 4.319 4.595 -0.276 2
1 3 . 1 1 A 8 8 THR CB C 8 69.847 70.126 -0.279 2
1 9 . 1 1 A 8 8 THR C C 8 175.419 174.250 1.169 2
1 10 . 1 1 A 9 9 GLY N N 9 110.845 112.246 -1.401 2
1 11 . 1 1 A 9 9 GLY H H 9 8.420 8.292 0.128 2
1 12 . 1 1 A 9 9 GLY CA C 9 45.170 45.467 -0.297 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.904 4.041 -0.137 2
1 14 . 1 1 A 9 9 GLY HA3 H 9 3.904 4.046 -0.142 2
1 15 . 1 1 A 9 9 GLY C C 9 174.056 173.156 0.900 2
1 16 . 1 1 A 10 10 GLU N N 10 120.245 121.133 -0.888 2
1 17 . 1 1 A 10 10 GLU H H 10 8.182 8.510 -0.328 2
1 18 . 1 1 A 10 10 GLU CA C 10 56.868 55.430 1.438 2
1 19 . 1 1 A 10 10 GLU HA H 10 4.130 4.781 -0.651 2
1 20 . 1 1 A 10 10 GLU CB C 10 30.270 31.903 -1.633 2
1 26 . 1 1 A 10 10 GLU C C 10 176.191 175.404 0.787 2
1 27 . 1 1 A 11 11 LYS N N 11 121.318 123.269 -1.951 2
1 28 . 1 1 A 11 11 LYS H H 11 8.244 8.415 -0.171 2
1 29 . 1 1 A 11 11 LYS CA C 11 53.800 53.878 -0.078 2
1 30 . 1 1 A 11 11 LYS HA H 11 4.483 4.550 -0.067 2
1 31 . 1 1 A 11 11 LYS CB C 11 32.900 32.749 0.151 2
1 43 . 1 1 A 11 11 LYS C C 11 174.450 176.275 -1.825 2
1 44 . 1 1 A 12 12 PRO CA C 12 63.627 63.925 -0.297 2
1 45 . 1 1 A 12 12 PRO HA H 12 4.275 4.283 -0.008 2
1 46 . 1 1 A 12 12 PRO CB C 12 32.265 31.217 1.048 2
1 55 . 1 1 A 12 12 PRO C C 12 176.363 175.672 0.691 2
1 56 . 1 1 A 13 13 TYR N N 13 118.698 118.499 0.199 2
1 57 . 1 1 A 13 13 TYR H H 13 7.867 7.518 0.349 2
1 58 . 1 1 A 13 13 TYR CA C 13 57.667 56.599 1.068 2
1 59 . 1 1 A 13 13 TYR HA H 13 4.544 5.193 -0.649 2
1 60 . 1 1 A 13 13 TYR CB C 13 38.526 40.307 -1.781 2
1 71 . 1 1 A 13 13 TYR C C 13 174.411 174.116 0.295 2
1 72 . 1 1 A 14 14 LYS N N 14 124.941 125.384 -0.443 2
1 73 . 1 1 A 14 14 LYS H H 14 8.654 9.077 -0.423 2
1 74 . 1 1 A 14 14 LYS CA C 14 54.893 54.473 0.420 2
1 75 . 1 1 A 14 14 LYS HA H 14 4.963 5.485 -0.522 2
1 76 . 1 1 A 14 14 LYS CB C 14 35.303 36.053 -0.750 2
1 88 . 1 1 A 14 14 LYS C C 14 175.030 175.085 -0.055 2
1 89 . 1 1 A 15 15 CYS N N 15 126.764 124.482 2.282 2
1 90 . 1 1 A 15 15 CYS H H 15 9.018 9.381 -0.363 2
1 91 . 1 1 A 15 15 CYS CA C 15 59.556 59.854 -0.298 2
1 92 . 1 1 A 15 15 CYS HA H 15 4.477 4.498 -0.021 2
1 93 . 1 1 A 15 15 CYS CB C 15 29.711 28.699 1.012 2
1 96 . 1 1 A 15 15 CYS C C 15 176.438 175.325 1.113 2
1 97 . 1 1 A 16 16 ASP N N 16 130.452 124.993 5.459 2
1 98 . 1 1 A 16 16 ASP H H 16 9.146 9.109 0.037 2
1 99 . 1 1 A 16 16 ASP CA C 16 56.059 53.950 2.109 2
1 100 . 1 1 A 16 16 ASP HA H 16 4.418 4.931 -0.513 2
1 101 . 1 1 A 16 16 ASP CB C 16 40.594 41.407 -0.813 2
1 104 . 1 1 A 16 16 ASP C C 16 175.426 176.629 -1.203 2
1 105 . 1 1 A 17 17 VAL N N 17 120.987 118.655 2.332 2
1 106 . 1 1 A 17 17 VAL H H 17 8.652 8.163 0.489 2
1 107 . 1 1 A 17 17 VAL CA C 17 64.823 63.183 1.640 2
1 108 . 1 1 A 17 17 VAL HA H 17 3.696 4.394 -0.698 2
1 109 . 1 1 A 17 17 VAL CB C 17 33.002 34.172 -1.170 2
1 119 . 1 1 A 17 17 VAL C C 17 176.458 176.789 -0.331 2
1 120 . 1 1 A 18 18 CYS N N 18 115.671 118.509 -2.838 2
1 121 . 1 1 A 18 18 CYS H H 18 7.886 8.022 -0.136 2
1 122 . 1 1 A 18 18 CYS CA C 18 57.837 58.207 -0.370 2
1 123 . 1 1 A 18 18 CYS HA H 18 4.894 4.452 0.442 2
1 124 . 1 1 A 18 18 CYS CB C 18 31.838 29.800 2.038 2
1 127 . 1 1 A 18 18 CYS C C 18 175.672 175.034 0.638 2
1 128 . 1 1 A 19 19 HIS N N 19 116.359 115.271 1.088 2
1 129 . 1 1 A 19 19 HIS H H 19 7.660 8.256 -0.596 2
1 130 . 1 1 A 19 19 HIS CA C 19 57.841 57.045 0.796 2
1 131 . 1 1 A 19 19 HIS HA H 19 4.496 4.274 0.222 2
1 132 . 1 1 A 19 19 HIS CB C 19 27.348 26.667 0.681 2
1 139 . 1 1 A 19 19 HIS C C 19 174.238 174.178 0.060 2
1 140 . 1 1 A 20 20 LYS N N 20 122.372 119.073 3.299 2
1 141 . 1 1 A 20 20 LYS H H 20 7.838 7.917 -0.079 2
1 142 . 1 1 A 20 20 LYS CA C 20 57.897 55.235 2.662 2
1 143 . 1 1 A 20 20 LYS HA H 20 4.131 4.223 -0.092 2
1 144 . 1 1 A 20 20 LYS CB C 20 34.042 32.502 1.540 2
1 156 . 1 1 A 20 20 LYS C C 20 174.512 175.831 -1.319 2
1 157 . 1 1 A 21 21 SER N N 21 115.643 120.784 -5.141 2
1 158 . 1 1 A 21 21 SER H H 21 7.862 8.403 -0.541 2
1 159 . 1 1 A 21 21 SER CA C 21 56.970 58.228 -1.258 2
1 160 . 1 1 A 21 21 SER HA H 21 5.289 4.440 0.849 2
1 161 . 1 1 A 21 21 SER CB C 21 66.008 64.209 1.799 2
1 164 . 1 1 A 21 21 SER C C 21 173.011 174.113 -1.102 2
1 165 . 1 1 A 22 22 PHE N N 22 117.902 119.557 -1.655 2
1 166 . 1 1 A 22 22 PHE H H 22 8.876 8.986 -0.110 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.348 56.339 1.009 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.673 5.041 -0.368 2
1 169 . 1 1 A 22 22 PHE CB C 22 43.619 41.092 2.527 2
1 182 . 1 1 A 22 22 PHE C C 22 174.751 175.909 -1.158 2
1 183 . 1 1 A 23 23 ARG CA C 23 58.414 58.931 -0.517 2
1 184 . 1 1 A 23 23 ARG HA H 23 4.207 4.098 0.108 2
1 185 . 1 1 A 23 23 ARG CB C 23 31.078 30.485 0.593 2
1 194 . 1 1 A 23 23 ARG C C 23 175.172 175.400 -0.228 2
1 195 . 1 1 A 24 24 TYR N N 24 112.481 117.474 -4.993 2
1 196 . 1 1 A 24 24 TYR H H 24 7.392 8.261 -0.869 2
1 197 . 1 1 A 24 24 TYR CA C 24 55.424 56.580 -1.156 2
1 198 . 1 1 A 24 24 TYR HA H 24 4.990 5.006 -0.016 2
1 199 . 1 1 A 24 24 TYR CB C 24 41.056 40.828 0.228 2
1 210 . 1 1 A 24 24 TYR C C 24 176.547 176.328 0.219 2
1 211 . 1 1 A 25 25 GLY N N 25 113.229 111.971 1.258 2
1 212 . 1 1 A 25 25 GLY H H 25 8.444 8.308 0.136 2
1 213 . 1 1 A 25 25 GLY CA C 25 46.807 46.687 0.120 2
1 214 . 1 1 A 25 25 GLY HA2 H 25 3.339 2.778 0.561 2
1 215 . 1 1 A 25 25 GLY HA3 H 25 2.763 2.863 -0.100 2
1 216 . 1 1 A 25 25 GLY C C 25 176.648 175.812 0.836 2
1 217 . 1 1 A 26 26 SER CA C 26 60.443 62.038 -1.595 2
1 218 . 1 1 A 26 26 SER HA H 26 4.070 4.123 -0.053 2
1 219 . 1 1 A 26 26 SER CB C 26 61.509 62.661 -1.152 2
1 222 . 1 1 A 27 27 SER N N 27 117.119 117.471 -0.352 2
1 223 . 1 1 A 27 27 SER H H 27 6.975 7.989 -1.014 2
1 224 . 1 1 A 27 27 SER CA C 27 60.612 62.227 -1.615 2
1 225 . 1 1 A 27 27 SER HA H 27 4.193 4.021 0.172 2
1 226 . 1 1 A 27 27 SER CB C 27 62.516 63.102 -0.586 2
1 229 . 1 1 A 28 28 LEU N N 28 123.770 122.347 1.423 2
1 230 . 1 1 A 28 28 LEU H H 28 7.044 7.390 -0.346 2
1 231 . 1 1 A 28 28 LEU CA C 28 57.811 57.854 -0.043 2
1 232 . 1 1 A 28 28 LEU HA H 28 3.243 2.357 0.886 2
1 233 . 1 1 A 28 28 LEU CB C 28 40.095 41.727 -1.632 2
1 246 . 1 1 A 28 28 LEU C C 28 177.169 178.327 -1.158 2
1 247 . 1 1 A 29 29 THR N N 29 116.170 113.398 2.772 2
1 248 . 1 1 A 29 29 THR H H 29 8.074 7.429 0.645 2
1 249 . 1 1 A 29 29 THR CA C 29 66.661 66.614 0.047 2
1 250 . 1 1 A 29 29 THR HA H 29 3.920 3.844 0.076 2
1 251 . 1 1 A 29 29 THR CB C 29 68.519 68.394 0.125 2
1 257 . 1 1 A 29 29 THR C C 29 176.819 176.697 0.122 2
1 258 . 1 1 A 30 30 VAL N N 30 119.670 120.940 -1.270 2
1 259 . 1 1 A 30 30 VAL H H 30 7.348 7.985 -0.637 2
1 260 . 1 1 A 30 30 VAL CA C 30 66.447 66.003 0.444 2
1 261 . 1 1 A 30 30 VAL HA H 30 3.514 3.684 -0.171 2
1 262 . 1 1 A 30 30 VAL CB C 30 32.129 31.598 0.531 2
1 272 . 1 1 A 30 30 VAL C C 30 178.591 178.300 0.291 2
1 273 . 1 1 A 31 31 HIS N N 31 120.141 120.492 -0.351 2
1 274 . 1 1 A 31 31 HIS H H 31 7.568 7.965 -0.397 2
1 275 . 1 1 A 31 31 HIS CA C 31 59.358 58.956 0.402 2
1 276 . 1 1 A 31 31 HIS HA H 31 4.126 4.206 -0.080 2
1 277 . 1 1 A 31 31 HIS CB C 31 28.376 30.017 -1.641 2
1 284 . 1 1 A 31 31 HIS C C 31 176.177 177.296 -1.119 2
1 285 . 1 1 A 32 32 GLN N N 32 114.511 118.242 -3.731 2
1 286 . 1 1 A 32 32 GLN H H 32 8.405 8.408 -0.003 2
1 287 . 1 1 A 32 32 GLN CA C 32 59.401 58.566 0.835 2
1 288 . 1 1 A 32 32 GLN HA H 32 3.641 3.974 -0.333 2
1 289 . 1 1 A 32 32 GLN CB C 32 28.353 28.228 0.125 2
1 298 . 1 1 A 32 32 GLN C C 32 177.404 178.793 -1.389 2
1 299 . 1 1 A 33 33 ARG N N 33 117.508 119.318 -1.810 2
1 300 . 1 1 A 33 33 ARG H H 33 7.166 7.706 -0.540 2
1 301 . 1 1 A 33 33 ARG CA C 33 58.468 58.866 -0.398 2
1 302 . 1 1 A 33 33 ARG HA H 33 4.118 4.001 0.117 2
1 303 . 1 1 A 33 33 ARG CB C 33 30.021 29.907 0.114 2
1 312 . 1 1 A 33 33 ARG C C 33 178.686 178.867 -0.181 2
1 313 . 1 1 A 34 34 ILE N N 34 115.983 117.028 -1.045 2
1 314 . 1 1 A 34 34 ILE H H 34 7.823 7.251 0.572 2
1 315 . 1 1 A 34 34 ILE CA C 34 63.142 63.857 -0.715 2
1 316 . 1 1 A 34 34 ILE HA H 34 3.945 3.794 0.151 2
1 317 . 1 1 A 34 34 ILE CB C 34 37.712 36.905 0.807 2
1 330 . 1 1 A 34 34 ILE C C 34 177.354 177.204 0.150 2
1 331 . 1 1 A 35 35 HIS N N 35 117.112 119.577 -2.465 2
1 332 . 1 1 A 35 35 HIS H H 35 7.179 7.891 -0.712 2
1 333 . 1 1 A 35 35 HIS CA C 35 54.859 57.900 -3.041 2
1 334 . 1 1 A 35 35 HIS HA H 35 4.905 4.468 0.437 2
1 335 . 1 1 A 35 35 HIS CB C 35 28.376 30.669 -2.293 2
1 342 . 1 1 A 35 35 HIS C C 35 175.680 175.322 0.358 2
1 343 . 1 1 A 36 36 THR N N 36 112.051 113.750 -1.699 2
1 344 . 1 1 A 36 36 THR H H 36 7.737 7.564 0.174 2
1 345 . 1 1 A 36 36 THR CA C 36 62.670 60.216 2.454 2
1 346 . 1 1 A 36 36 THR HA H 36 4.312 4.632 -0.320 2
1 347 . 1 1 A 36 36 THR CB C 36 69.743 71.327 -1.584 2
1 353 . 1 1 A 36 36 THR C C 36 175.483 174.177 1.306 2
1 354 . 1 1 A 37 37 GLY N N 37 110.845 114.275 -3.430 2
1 355 . 1 1 A 37 37 GLY H H 37 8.289 8.443 -0.154 2
1 356 . 1 1 A 37 37 GLY CA C 37 45.151 45.387 -0.236 2
1 357 . 1 1 A 37 37 GLY HA2 H 37 3.988 4.051 -0.063 2
1 358 . 1 1 A 37 37 GLY HA3 H 37 3.945 4.056 -0.111 2
1 359 . 1 1 A 37 37 GLY C C 37 174.025 173.215 0.810 2
1 360 . 1 1 A 38 38 GLU N N 38 120.598 121.447 -0.849 2
1 361 . 1 1 A 38 38 GLU H H 38 8.039 8.299 -0.260 2
1 362 . 1 1 A 38 38 GLU CA C 38 56.442 55.480 0.962 2
1 363 . 1 1 A 38 38 GLU HA H 38 4.220 4.685 -0.465 2
1 364 . 1 1 A 38 38 GLU CB C 38 30.525 31.446 -0.921 2
1 370 . 1 1 A 38 38 GLU C C 38 176.246 175.420 0.826 2
1 371 . 1 1 A 39 39 LYS N N 39 123.884 123.481 0.403 2
1 372 . 1 1 A 39 39 LYS H H 39 8.420 8.494 -0.074 2
1 373 . 1 1 A 39 39 LYS CA C 39 54.071 53.683 0.388 2
1 374 . 1 1 A 39 39 LYS HA H 39 4.590 4.694 -0.104 2
1 375 . 1 1 A 39 39 LYS CB C 39 32.486 33.726 -1.240 2
1 387 . 1 1 A 39 39 LYS C C 39 174.070 175.477 -1.407 2
1 388 . 1 1 A 40 40 PRO CA C 40 63.186 63.317 -0.131 2
1 389 . 1 1 A 40 40 PRO HA H 40 4.436 4.577 -0.141 2
1 390 . 1 1 A 40 40 PRO CB C 40 32.163 31.772 0.391 2
1 399 . 1 1 A 41 41 SER N N 41 116.479 114.916 1.563 2
1 400 . 1 1 A 41 41 SER H H 41 8.459 8.219 0.240 2
1 401 . 1 1 A 41 41 SER CA C 41 58.355 58.065 0.290 2
1 402 . 1 1 A 41 41 SER HA H 41 4.461 4.663 -0.202 2
1 403 . 1 1 A 41 41 SER CB C 41 63.936 64.655 -0.719 2
1 406 . 1 1 A 42 42 GLY N N 42 110.647 109.634 1.013 2
1 407 . 1 1 A 42 42 GLY H H 42 8.218 8.380 -0.162 2
1 408 . 1 1 A 42 42 GLY CA C 42 44.626 44.708 -0.082 2
1 409 . 1 1 A 42 42 GLY HA2 H 42 4.134 4.149 -0.015 2
1 410 . 1 1 A 42 42 GLY HA3 H 42 4.086 4.151 -0.065 2
1 411 . 1 1 A 43 43 PRO CA C 43 63.176 63.082 0.094 2
1 412 . 1 1 A 43 43 PRO HA H 43 4.434 4.566 -0.132 2
1 413 . 1 1 A 43 43 PRO CB C 43 32.113 31.981 0.132 2
1 422 . 1 1 A 44 44 SER N N 44 116.453 116.323 0.130 2
stop_
save_