data_10178_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10178
_Entry.PDB_ID 2YTT
_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 6 6 SER CA C 6 58.504 57.843 0.661 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.481 4.763 -0.282 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.922 62.580 1.342 1
1 6 . 1 1 1 A 6 6 SER C C 6 175.079 173.645 1.434 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.906 112.537 -1.631 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.456 8.729 -0.273 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.320 44.031 1.289 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 3.980 4.114 -0.134 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 3.980 4.114 -0.134 1
1 12 . 1 1 1 A 7 7 GLY C C 7 174.337 172.531 1.806 1
1 13 . 1 1 1 A 8 8 GLU N N 8 120.775 120.855 -0.080 1
1 14 . 1 1 1 A 8 8 GLU H H 8 8.343 8.510 -0.167 1
1 15 . 1 1 1 A 8 8 GLU CA C 8 56.857 55.672 1.185 1
1 16 . 1 1 1 A 8 8 GLU HA H 8 4.297 4.878 -0.581 1
1 17 . 1 1 1 A 8 8 GLU CB C 8 30.354 30.104 0.250 1
1 23 . 1 1 1 A 8 8 GLU C C 8 177.082 176.217 0.865 1
1 24 . 1 1 1 A 9 9 GLY N N 9 109.791 112.556 -2.765 1
1 25 . 1 1 1 A 9 9 GLY H H 9 8.472 8.192 0.280 1
1 26 . 1 1 1 A 9 9 GLY CA C 9 45.201 45.174 0.027 1
1 27 . 1 1 1 A 9 9 GLY HA2 H 9 3.962 4.100 -0.138 1
1 28 . 1 1 1 A 9 9 GLY HA3 H 9 3.962 4.103 -0.141 1
1 29 . 1 1 1 A 9 9 GLY C C 9 173.936 174.358 -0.422 1
1 30 . 1 1 1 A 10 10 GLU N N 10 120.213 117.543 2.670 1
1 31 . 1 1 1 A 10 10 GLU H H 10 8.203 7.873 0.330 1
1 32 . 1 1 1 A 10 10 GLU CA C 10 56.464 55.421 1.043 1
1 33 . 1 1 1 A 10 10 GLU HA H 10 4.280 4.872 -0.592 1
1 34 . 1 1 1 A 10 10 GLU CB C 10 30.387 31.817 -1.430 1
1 40 . 1 1 1 A 10 10 GLU C C 10 176.324 175.372 0.952 1
1 41 . 1 1 1 A 11 11 LYS N N 11 123.251 121.992 1.259 1
1 42 . 1 1 1 A 11 11 LYS H H 11 8.292 8.614 -0.322 1
1 43 . 1 1 1 A 11 11 LYS CA C 11 54.057 52.970 1.087 1
1 44 . 1 1 1 A 11 11 LYS HA H 11 4.538 4.812 -0.274 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 32.749 33.849 -1.100 1
1 57 . 1 1 1 A 12 12 PRO CA C 12 63.124 64.227 -1.103 1
1 58 . 1 1 1 A 12 12 PRO HA H 12 4.435 4.325 0.110 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.125 31.407 0.718 1
1 68 . 1 1 1 A 12 12 PRO C C 12 176.448 175.535 0.913 1
1 69 . 1 1 1 A 13 13 TYR N N 13 119.740 116.533 3.207 1
1 70 . 1 1 1 A 13 13 TYR H H 13 8.457 7.912 0.545 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.356 56.782 0.574 1
1 72 . 1 1 1 A 13 13 TYR HA H 13 4.537 4.917 -0.380 1
1 73 . 1 1 1 A 13 13 TYR CB C 13 38.918 38.038 0.880 1
1 84 . 1 1 1 A 13 13 TYR C C 13 174.408 175.002 -0.594 1
1 85 . 1 1 1 A 14 14 GLN N N 14 122.442 121.538 0.904 1
1 86 . 1 1 1 A 14 14 GLN H H 14 8.482 7.789 0.693 1
1 87 . 1 1 1 A 14 14 GLN CA C 14 54.562 54.269 0.293 1
1 88 . 1 1 1 A 14 14 GLN HA H 14 4.996 4.915 0.081 1
1 89 . 1 1 1 A 14 14 GLN CB C 14 31.639 31.030 0.609 1
1 98 . 1 1 1 A 14 14 GLN C C 14 175.180 175.969 -0.789 1
1 99 . 1 1 1 A 15 15 CYS N N 15 128.228 125.676 2.552 1
1 100 . 1 1 1 A 15 15 CYS H H 15 9.319 8.707 0.612 1
1 101 . 1 1 1 A 15 15 CYS CA C 15 59.809 60.103 -0.294 1
1 102 . 1 1 1 A 15 15 CYS HA H 15 4.710 4.702 0.008 1
1 103 . 1 1 1 A 15 15 CYS CB C 15 30.177 28.818 1.359 1
1 106 . 1 1 1 A 15 15 CYS C C 15 177.750 174.590 3.160 1
1 107 . 1 1 1 A 16 16 SER N N 16 128.171 119.856 8.315 1
1 108 . 1 1 1 A 16 16 SER H H 16 9.434 8.975 0.459 1
1 109 . 1 1 1 A 16 16 SER CA C 16 60.913 59.413 1.500 1
1 110 . 1 1 1 A 16 16 SER HA H 16 4.299 4.535 -0.236 1
1 111 . 1 1 1 A 16 16 SER CB C 16 63.126 64.992 -1.866 1
1 114 . 1 1 1 A 16 16 SER C C 16 174.606 175.993 -1.387 1
1 115 . 1 1 1 A 17 17 GLU N N 17 124.574 121.207 3.367 1
1 116 . 1 1 1 A 17 17 GLU H H 17 9.028 7.925 1.103 1
1 117 . 1 1 1 A 17 17 GLU CA C 17 57.949 59.303 -1.354 1
1 118 . 1 1 1 A 17 17 GLU HA H 17 4.338 3.868 0.470 1
1 119 . 1 1 1 A 17 17 GLU CB C 17 29.942 28.957 0.985 1
1 125 . 1 1 1 A 17 17 GLU C C 17 177.060 177.879 -0.819 1
1 126 . 1 1 1 A 18 18 CYS N N 18 114.918 115.049 -0.131 1
1 127 . 1 1 1 A 18 18 CYS H H 18 8.089 7.852 0.237 1
1 128 . 1 1 1 A 18 18 CYS CA C 18 58.331 59.477 -1.146 1
1 129 . 1 1 1 A 18 18 CYS HA H 18 5.177 4.656 0.521 1
1 130 . 1 1 1 A 18 18 CYS CB C 18 32.407 30.149 2.258 1
1 133 . 1 1 1 A 18 18 CYS C C 18 176.482 175.698 0.784 1
1 134 . 1 1 1 A 19 19 GLY N N 19 113.022 109.823 3.199 1
1 135 . 1 1 1 A 19 19 GLY H H 19 8.104 8.299 -0.195 1
1 136 . 1 1 1 A 19 19 GLY CA C 19 46.298 45.363 0.935 1
1 137 . 1 1 1 A 19 19 GLY HA2 H 19 3.856 4.039 -0.183 1
1 138 . 1 1 1 A 19 19 GLY HA3 H 19 4.240 4.067 0.173 1
1 139 . 1 1 1 A 19 19 GLY C C 19 173.951 173.143 0.808 1
1 140 . 1 1 1 A 20 20 LYS N N 20 122.753 125.538 -2.785 1
1 141 . 1 1 1 A 20 20 LYS H H 20 7.932 8.206 -0.274 1
1 142 . 1 1 1 A 20 20 LYS CA C 20 57.933 55.423 2.510 1
1 143 . 1 1 1 A 20 20 LYS HA H 20 4.092 4.548 -0.456 1
1 144 . 1 1 1 A 20 20 LYS CB C 20 33.918 35.670 -1.752 1
1 156 . 1 1 1 A 20 20 LYS C C 20 174.553 174.777 -0.224 1
1 157 . 1 1 1 A 21 21 SER N N 21 115.470 122.812 -7.342 1
1 158 . 1 1 1 A 21 21 SER H H 21 7.982 8.691 -0.709 1
1 159 . 1 1 1 A 21 21 SER CA C 21 57.450 58.297 -0.847 1
1 160 . 1 1 1 A 21 21 SER HA H 21 5.207 4.704 0.503 1
1 161 . 1 1 1 A 21 21 SER CB C 21 65.453 64.031 1.422 1
1 164 . 1 1 1 A 21 21 SER C C 21 173.111 173.306 -0.195 1
1 165 . 1 1 1 A 22 22 PHE N N 22 119.199 121.119 -1.920 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.655 8.790 -0.135 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.484 56.760 0.724 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.682 4.922 -0.240 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 44.042 43.197 0.845 1
1 182 . 1 1 1 A 22 22 PHE C C 22 175.277 174.268 1.009 1
1 183 . 1 1 1 A 23 23 SER CA C 23 58.896 57.745 1.151 1
1 184 . 1 1 1 A 23 23 SER HA H 23 4.571 4.764 -0.193 1
1 185 . 1 1 1 A 23 23 SER CB C 23 63.524 62.365 1.159 1
1 188 . 1 1 1 A 23 23 SER C C 23 174.297 173.919 0.378 1
1 189 . 1 1 1 A 24 24 GLY N N 24 109.456 115.763 -6.307 1
1 190 . 1 1 1 A 24 24 GLY H H 24 7.551 8.368 -0.817 1
1 191 . 1 1 1 A 24 24 GLY CA C 24 44.838 44.576 0.262 1
1 192 . 1 1 1 A 24 24 GLY HA2 H 24 4.047 4.168 -0.121 1
1 193 . 1 1 1 A 24 24 GLY HA3 H 24 3.727 4.213 -0.486 1
1 194 . 1 1 1 A 24 24 GLY C C 24 172.500 174.583 -2.083 1
1 195 . 1 1 1 A 25 25 SER N N 25 115.599 117.049 -1.450 1
1 196 . 1 1 1 A 25 25 SER H H 25 8.260 8.530 -0.270 1
1 197 . 1 1 1 A 25 25 SER CA C 25 60.846 61.193 -0.347 1
1 198 . 1 1 1 A 25 25 SER HA H 25 3.496 3.648 -0.152 1
1 199 . 1 1 1 A 25 25 SER CB C 25 62.665 62.657 0.008 1
1 202 . 1 1 1 A 25 25 SER C C 25 176.919 175.563 1.356 1
1 203 . 1 1 1 A 26 26 TYR CA C 26 61.467 62.059 -0.592 1
1 204 . 1 1 1 A 26 26 TYR HA H 26 4.248 3.896 0.352 1
1 205 . 1 1 1 A 26 26 TYR CB C 26 37.421 38.525 -1.104 1
1 216 . 1 1 1 A 26 26 TYR C C 26 177.866 177.009 0.857 1
1 217 . 1 1 1 A 27 27 ARG N N 27 118.122 117.987 0.135 1
1 218 . 1 1 1 A 27 27 ARG H H 27 8.045 8.287 -0.242 1
1 219 . 1 1 1 A 27 27 ARG CA C 27 58.511 59.539 -1.028 1
1 220 . 1 1 1 A 27 27 ARG HA H 27 3.782 3.898 -0.116 1
1 221 . 1 1 1 A 27 27 ARG CB C 27 29.795 29.904 -0.109 1
1 230 . 1 1 1 A 27 27 ARG C C 27 179.215 178.226 0.989 1
1 231 . 1 1 1 A 28 28 LEU N N 28 120.580 121.486 -0.906 1
1 232 . 1 1 1 A 28 28 LEU H H 28 7.278 7.901 -0.623 1
1 233 . 1 1 1 A 28 28 LEU CA C 28 58.166 58.580 -0.414 1
1 234 . 1 1 1 A 28 28 LEU HA H 28 3.418 3.752 -0.334 1
1 235 . 1 1 1 A 28 28 LEU CB C 28 40.627 41.709 -1.082 1
1 248 . 1 1 1 A 28 28 LEU C C 28 177.435 178.386 -0.951 1
1 249 . 1 1 1 A 29 29 THR N N 29 116.295 113.739 2.556 1
1 250 . 1 1 1 A 29 29 THR H H 29 8.312 7.531 0.781 1
1 251 . 1 1 1 A 29 29 THR CA C 29 66.882 66.323 0.559 1
1 252 . 1 1 1 A 29 29 THR HA H 29 3.772 3.650 0.122 1
1 253 . 1 1 1 A 29 29 THR CB C 29 68.537 68.559 -0.022 1
1 259 . 1 1 1 A 29 29 THR C C 29 176.805 176.350 0.455 1
1 260 . 1 1 1 A 30 30 GLN N N 30 118.689 117.982 0.707 1
1 261 . 1 1 1 A 30 30 GLN H H 30 7.785 7.743 0.042 1
1 262 . 1 1 1 A 30 30 GLN CA C 30 58.073 59.191 -1.118 1
1 263 . 1 1 1 A 30 30 GLN HA H 30 3.872 3.946 -0.074 1
1 264 . 1 1 1 A 30 30 GLN CB C 30 28.779 28.225 0.554 1
1 273 . 1 1 1 A 30 30 GLN C C 30 178.292 178.405 -0.113 1
1 274 . 1 1 1 A 31 31 HIS N N 31 118.694 119.073 -0.379 1
1 275 . 1 1 1 A 31 31 HIS H H 31 7.558 7.725 -0.167 1
1 276 . 1 1 1 A 31 31 HIS CA C 31 58.746 59.143 -0.397 1
1 277 . 1 1 1 A 31 31 HIS HA H 31 4.210 4.278 -0.068 1
1 278 . 1 1 1 A 31 31 HIS CB C 31 27.916 30.100 -2.184 1
1 285 . 1 1 1 A 31 31 HIS C C 31 177.522 176.999 0.523 1
1 286 . 1 1 1 A 32 32 TRP N N 32 122.468 118.357 4.111 1
1 287 . 1 1 1 A 32 32 TRP H H 32 8.802 8.393 0.409 1
1 288 . 1 1 1 A 32 32 TRP CA C 32 61.090 59.902 1.188 1
1 289 . 1 1 1 A 32 32 TRP HA H 32 4.042 4.216 -0.174 1
1 290 . 1 1 1 A 32 32 TRP CB C 32 29.312 29.274 0.038 1
1 305 . 1 1 1 A 32 32 TRP C C 32 177.947 178.724 -0.777 1
1 306 . 1 1 1 A 33 33 ILE N N 33 116.053 120.486 -4.433 1
1 307 . 1 1 1 A 33 33 ILE H H 33 7.288 7.797 -0.509 1
1 308 . 1 1 1 A 33 33 ILE CA C 33 63.891 64.959 -1.068 1
1 309 . 1 1 1 A 33 33 ILE HA H 33 3.827 3.584 0.243 1
1 310 . 1 1 1 A 33 33 ILE CB C 33 38.065 37.934 0.131 1
1 323 . 1 1 1 A 33 33 ILE C C 33 177.979 177.886 0.093 1
1 324 . 1 1 1 A 34 34 THR N N 34 111.457 114.875 -3.418 1
1 325 . 1 1 1 A 34 34 THR H H 34 7.640 8.070 -0.430 1
1 326 . 1 1 1 A 34 34 THR CA C 34 64.307 64.241 0.066 1
1 327 . 1 1 1 A 34 34 THR HA H 34 3.990 3.906 0.084 1
1 328 . 1 1 1 A 34 34 THR CB C 34 69.088 68.616 0.472 1
1 334 . 1 1 1 A 34 34 THR C C 34 175.690 175.660 0.030 1
1 335 . 1 1 1 A 35 35 HIS N N 35 118.326 117.784 0.542 1
1 336 . 1 1 1 A 35 35 HIS H H 35 7.247 7.729 -0.482 1
1 337 . 1 1 1 A 35 35 HIS CA C 35 55.628 55.740 -0.112 1
1 338 . 1 1 1 A 35 35 HIS HA H 35 4.735 4.523 0.212 1
1 339 . 1 1 1 A 35 35 HIS CB C 35 28.391 28.966 -0.575 1
1 346 . 1 1 1 A 35 35 HIS C C 35 175.573 175.962 -0.389 1
1 347 . 1 1 1 A 36 36 THR N N 36 113.348 113.402 -0.054 1
1 348 . 1 1 1 A 36 36 THR H H 36 7.747 8.190 -0.443 1
1 349 . 1 1 1 A 36 36 THR CA C 36 62.742 63.836 -1.094 1
1 350 . 1 1 1 A 36 36 THR HA H 36 4.251 4.372 -0.121 1
1 351 . 1 1 1 A 36 36 THR CB C 36 69.711 69.953 -0.242 1
1 357 . 1 1 1 A 36 36 THR C C 36 174.653 176.231 -1.578 1
1 358 . 1 1 1 A 37 37 ARG N N 37 122.448 120.829 1.619 1
1 359 . 1 1 1 A 37 37 ARG H H 37 8.143 7.582 0.561 1
1 360 . 1 1 1 A 37 37 ARG CA C 37 56.220 59.007 -2.787 1
1 361 . 1 1 1 A 37 37 ARG HA H 37 4.335 4.102 0.233 1
1 362 . 1 1 1 A 37 37 ARG CB C 37 30.719 29.901 0.818 1
1 371 . 1 1 1 A 37 37 ARG C C 37 176.124 176.778 -0.654 1
1 372 . 1 1 1 A 38 38 GLU N N 38 121.219 120.718 0.501 1
1 373 . 1 1 1 A 38 38 GLU H H 38 8.216 7.869 0.347 1
1 374 . 1 1 1 A 38 38 GLU CA C 38 56.497 57.103 -0.606 1
1 375 . 1 1 1 A 38 38 GLU HA H 38 4.255 4.242 0.013 1
1 376 . 1 1 1 A 38 38 GLU CB C 38 30.410 30.238 0.172 1
1 382 . 1 1 1 A 38 38 GLU C C 38 176.132 176.025 0.107 1
1 383 . 1 1 1 A 39 39 LYS N N 39 123.433 126.053 -2.620 1
1 384 . 1 1 1 A 39 39 LYS H H 39 8.290 8.678 -0.388 1
1 385 . 1 1 1 A 39 39 LYS CA C 39 54.206 52.903 1.303 1
1 386 . 1 1 1 A 39 39 LYS HA H 39 4.575 4.989 -0.414 1
1 387 . 1 1 1 A 39 39 LYS CB C 39 32.516 33.897 -1.381 1
1 396 . 1 1 1 A 39 39 LYS C C 39 174.396 174.364 0.032 1
1 397 . 1 1 1 A 40 40 PRO CA C 40 63.205 62.524 0.681 1
1 398 . 1 1 1 A 40 40 PRO HA H 40 4.463 4.605 -0.142 1
1 399 . 1 1 1 A 40 40 PRO CB C 40 32.160 32.892 -0.732 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.504 57.663 0.841 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.481 4.891 -0.410 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.922 63.208 0.714 1
1 6 . 2 1 1 A 6 6 SER C C 6 175.079 174.885 0.194 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.906 114.119 -3.213 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.456 8.773 -0.317 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.320 46.375 -1.055 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 3.980 3.877 0.103 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 3.980 3.877 0.103 1
1 12 . 2 1 1 A 7 7 GLY C C 7 174.337 174.746 -0.409 1
1 13 . 2 1 1 A 8 8 GLU N N 8 120.775 124.609 -3.834 1
1 14 . 2 1 1 A 8 8 GLU H H 8 8.343 8.908 -0.565 1
1 15 . 2 1 1 A 8 8 GLU CA C 8 56.857 57.543 -0.686 1
1 16 . 2 1 1 A 8 8 GLU HA H 8 4.297 4.481 -0.184 1
1 17 . 2 1 1 A 8 8 GLU CB C 8 30.354 31.919 -1.565 1
1 23 . 2 1 1 A 8 8 GLU C C 8 177.082 176.234 0.848 1
1 24 . 2 1 1 A 9 9 GLY N N 9 109.791 106.090 3.701 1
1 25 . 2 1 1 A 9 9 GLY H H 9 8.472 7.447 1.025 1
1 26 . 2 1 1 A 9 9 GLY CA C 9 45.201 45.193 0.008 1
1 27 . 2 1 1 A 9 9 GLY HA2 H 9 3.962 4.084 -0.122 1
1 28 . 2 1 1 A 9 9 GLY HA3 H 9 3.962 4.084 -0.122 1
1 29 . 2 1 1 A 9 9 GLY C C 9 173.936 172.502 1.434 1
1 30 . 2 1 1 A 10 10 GLU N N 10 120.213 123.023 -2.810 1
1 31 . 2 1 1 A 10 10 GLU H H 10 8.203 8.684 -0.481 1
1 32 . 2 1 1 A 10 10 GLU CA C 10 56.464 55.659 0.805 1
1 33 . 2 1 1 A 10 10 GLU HA H 10 4.280 4.800 -0.520 1
1 34 . 2 1 1 A 10 10 GLU CB C 10 30.387 30.332 0.055 1
1 40 . 2 1 1 A 10 10 GLU C C 10 176.324 176.365 -0.041 1
1 41 . 2 1 1 A 11 11 LYS N N 11 123.251 124.031 -0.780 1
1 42 . 2 1 1 A 11 11 LYS H H 11 8.292 8.658 -0.366 1
1 43 . 2 1 1 A 11 11 LYS CA C 11 54.057 54.595 -0.538 1
1 44 . 2 1 1 A 11 11 LYS HA H 11 4.538 4.289 0.249 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 32.749 31.812 0.937 1
1 57 . 2 1 1 A 12 12 PRO CA C 12 63.124 64.311 -1.187 1
1 58 . 2 1 1 A 12 12 PRO HA H 12 4.435 4.335 0.100 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.125 31.309 0.816 1
1 68 . 2 1 1 A 12 12 PRO C C 12 176.448 175.790 0.658 1
1 69 . 2 1 1 A 13 13 TYR N N 13 119.740 118.488 1.252 1
1 70 . 2 1 1 A 13 13 TYR H H 13 8.457 7.684 0.773 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.356 56.638 0.718 1
1 72 . 2 1 1 A 13 13 TYR HA H 13 4.537 4.984 -0.447 1
1 73 . 2 1 1 A 13 13 TYR CB C 13 38.918 38.830 0.088 1
1 84 . 2 1 1 A 13 13 TYR C C 13 174.408 174.220 0.188 1
1 85 . 2 1 1 A 14 14 GLN N N 14 122.442 125.869 -3.427 1
1 86 . 2 1 1 A 14 14 GLN H H 14 8.482 9.063 -0.581 1
1 87 . 2 1 1 A 14 14 GLN CA C 14 54.562 54.290 0.272 1
1 88 . 2 1 1 A 14 14 GLN HA H 14 4.996 5.373 -0.377 1
1 89 . 2 1 1 A 14 14 GLN CB C 14 31.639 30.416 1.223 1
1 98 . 2 1 1 A 14 14 GLN C C 14 175.180 175.376 -0.196 1
1 99 . 2 1 1 A 15 15 CYS N N 15 128.228 126.120 2.108 1
1 100 . 2 1 1 A 15 15 CYS H H 15 9.319 8.596 0.723 1
1 101 . 2 1 1 A 15 15 CYS CA C 15 59.809 60.211 -0.402 1
1 102 . 2 1 1 A 15 15 CYS HA H 15 4.710 4.887 -0.177 1
1 103 . 2 1 1 A 15 15 CYS CB C 15 30.177 28.780 1.397 1
1 106 . 2 1 1 A 15 15 CYS C C 15 177.750 175.529 2.221 1
1 107 . 2 1 1 A 16 16 SER N N 16 128.171 123.176 4.995 1
1 108 . 2 1 1 A 16 16 SER H H 16 9.434 9.207 0.227 1
1 109 . 2 1 1 A 16 16 SER CA C 16 60.913 61.419 -0.506 1
1 110 . 2 1 1 A 16 16 SER HA H 16 4.299 4.163 0.136 1
1 111 . 2 1 1 A 16 16 SER CB C 16 63.126 62.696 0.430 1
1 114 . 2 1 1 A 16 16 SER C C 16 174.606 176.870 -2.264 1
1 115 . 2 1 1 A 17 17 GLU N N 17 124.574 120.477 4.097 1
1 116 . 2 1 1 A 17 17 GLU H H 17 9.028 7.886 1.142 1
1 117 . 2 1 1 A 17 17 GLU CA C 17 57.949 59.220 -1.271 1
1 118 . 2 1 1 A 17 17 GLU HA H 17 4.338 3.737 0.601 1
1 119 . 2 1 1 A 17 17 GLU CB C 17 29.942 28.800 1.142 1
1 125 . 2 1 1 A 17 17 GLU C C 17 177.060 177.772 -0.712 1
1 126 . 2 1 1 A 18 18 CYS N N 18 114.918 114.698 0.220 1
1 127 . 2 1 1 A 18 18 CYS H H 18 8.089 7.627 0.462 1
1 128 . 2 1 1 A 18 18 CYS CA C 18 58.331 59.505 -1.174 1
1 129 . 2 1 1 A 18 18 CYS HA H 18 5.177 4.506 0.671 1
1 130 . 2 1 1 A 18 18 CYS CB C 18 32.407 29.760 2.647 1
1 133 . 2 1 1 A 18 18 CYS C C 18 176.482 175.240 1.242 1
1 134 . 2 1 1 A 19 19 GLY N N 19 113.022 109.686 3.336 1
1 135 . 2 1 1 A 19 19 GLY H H 19 8.104 7.882 0.222 1
1 136 . 2 1 1 A 19 19 GLY CA C 19 46.298 45.850 0.448 1
1 137 . 2 1 1 A 19 19 GLY HA2 H 19 3.856 4.039 -0.183 1
1 138 . 2 1 1 A 19 19 GLY HA3 H 19 4.240 4.055 0.185 1
1 139 . 2 1 1 A 19 19 GLY C C 19 173.951 174.124 -0.173 1
1 140 . 2 1 1 A 20 20 LYS N N 20 122.753 119.604 3.149 1
1 141 . 2 1 1 A 20 20 LYS H H 20 7.932 7.603 0.329 1
1 142 . 2 1 1 A 20 20 LYS CA C 20 57.933 54.093 3.840 1
1 143 . 2 1 1 A 20 20 LYS HA H 20 4.092 4.724 -0.632 1
1 144 . 2 1 1 A 20 20 LYS CB C 20 33.918 35.485 -1.567 1
1 156 . 2 1 1 A 20 20 LYS C C 20 174.553 175.081 -0.528 1
1 157 . 2 1 1 A 21 21 SER N N 21 115.470 112.829 2.641 1
1 158 . 2 1 1 A 21 21 SER H H 21 7.982 8.698 -0.716 1
1 159 . 2 1 1 A 21 21 SER CA C 21 57.450 56.282 1.168 1
1 160 . 2 1 1 A 21 21 SER HA H 21 5.207 5.381 -0.174 1
1 161 . 2 1 1 A 21 21 SER CB C 21 65.453 65.536 -0.083 1
1 164 . 2 1 1 A 21 21 SER C C 21 173.111 172.894 0.217 1
1 165 . 2 1 1 A 22 22 PHE N N 22 119.199 120.700 -1.501 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.655 8.545 0.110 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.484 57.011 0.473 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.682 4.978 -0.296 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 44.042 43.130 0.912 1
1 182 . 2 1 1 A 22 22 PHE C C 22 175.277 175.822 -0.545 1
1 183 . 2 1 1 A 23 23 SER CA C 23 58.896 61.788 -2.892 1
1 184 . 2 1 1 A 23 23 SER HA H 23 4.571 4.626 -0.055 1
1 185 . 2 1 1 A 23 23 SER CB C 23 63.524 64.329 -0.805 1
1 188 . 2 1 1 A 23 23 SER C C 23 174.297 175.293 -0.996 1
1 189 . 2 1 1 A 24 24 GLY N N 24 109.456 108.794 0.662 1
1 190 . 2 1 1 A 24 24 GLY H H 24 7.551 7.995 -0.444 1
1 191 . 2 1 1 A 24 24 GLY CA C 24 44.838 44.850 -0.012 1
1 192 . 2 1 1 A 24 24 GLY HA2 H 24 4.047 4.081 -0.034 1
1 193 . 2 1 1 A 24 24 GLY HA3 H 24 3.727 4.131 -0.404 1
1 194 . 2 1 1 A 24 24 GLY C C 24 172.500 174.738 -2.238 1
1 195 . 2 1 1 A 25 25 SER N N 25 115.599 117.483 -1.884 1
1 196 . 2 1 1 A 25 25 SER H H 25 8.260 8.962 -0.702 1
1 197 . 2 1 1 A 25 25 SER CA C 25 60.846 60.861 -0.015 1
1 198 . 2 1 1 A 25 25 SER HA H 25 3.496 3.480 0.016 1
1 199 . 2 1 1 A 25 25 SER CB C 25 62.665 62.080 0.585 1
1 202 . 2 1 1 A 25 25 SER C C 25 176.919 175.833 1.086 1
1 203 . 2 1 1 A 26 26 TYR CA C 26 61.467 61.888 -0.421 1
1 204 . 2 1 1 A 26 26 TYR HA H 26 4.248 3.876 0.372 1
1 205 . 2 1 1 A 26 26 TYR CB C 26 37.421 38.407 -0.986 1
1 216 . 2 1 1 A 26 26 TYR C C 26 177.866 177.282 0.584 1
1 217 . 2 1 1 A 27 27 ARG N N 27 118.122 118.930 -0.808 1
1 218 . 2 1 1 A 27 27 ARG H H 27 8.045 8.304 -0.259 1
1 219 . 2 1 1 A 27 27 ARG CA C 27 58.511 59.282 -0.771 1
1 220 . 2 1 1 A 27 27 ARG HA H 27 3.782 4.092 -0.310 1
1 221 . 2 1 1 A 27 27 ARG CB C 27 29.795 29.808 -0.013 1
1 230 . 2 1 1 A 27 27 ARG C C 27 179.215 178.061 1.154 1
1 231 . 2 1 1 A 28 28 LEU N N 28 120.580 120.213 0.367 1
1 232 . 2 1 1 A 28 28 LEU H H 28 7.278 7.882 -0.604 1
1 233 . 2 1 1 A 28 28 LEU CA C 28 58.166 58.170 -0.004 1
1 234 . 2 1 1 A 28 28 LEU HA H 28 3.418 3.602 -0.184 1
1 235 . 2 1 1 A 28 28 LEU CB C 28 40.627 41.810 -1.183 1
1 248 . 2 1 1 A 28 28 LEU C C 28 177.435 178.379 -0.944 1
1 249 . 2 1 1 A 29 29 THR N N 29 116.295 113.820 2.475 1
1 250 . 2 1 1 A 29 29 THR H H 29 8.312 7.417 0.895 1
1 251 . 2 1 1 A 29 29 THR CA C 29 66.882 66.236 0.646 1
1 252 . 2 1 1 A 29 29 THR HA H 29 3.772 3.479 0.293 1
1 253 . 2 1 1 A 29 29 THR CB C 29 68.537 68.147 0.390 1
1 259 . 2 1 1 A 29 29 THR C C 29 176.805 176.365 0.440 1
1 260 . 2 1 1 A 30 30 GLN N N 30 118.689 118.006 0.683 1
1 261 . 2 1 1 A 30 30 GLN H H 30 7.785 7.886 -0.101 1
1 262 . 2 1 1 A 30 30 GLN CA C 30 58.073 59.056 -0.983 1
1 263 . 2 1 1 A 30 30 GLN HA H 30 3.872 3.863 0.009 1
1 264 . 2 1 1 A 30 30 GLN CB C 30 28.779 28.320 0.459 1
1 273 . 2 1 1 A 30 30 GLN C C 30 178.292 178.550 -0.258 1
1 274 . 2 1 1 A 31 31 HIS N N 31 118.694 119.046 -0.352 1
1 275 . 2 1 1 A 31 31 HIS H H 31 7.558 7.888 -0.330 1
1 276 . 2 1 1 A 31 31 HIS CA C 31 58.746 58.799 -0.053 1
1 277 . 2 1 1 A 31 31 HIS HA H 31 4.210 4.338 -0.128 1
1 278 . 2 1 1 A 31 31 HIS CB C 31 27.916 30.307 -2.391 1
1 285 . 2 1 1 A 31 31 HIS C C 31 177.522 177.088 0.434 1
1 286 . 2 1 1 A 32 32 TRP N N 32 122.468 118.698 3.770 1
1 287 . 2 1 1 A 32 32 TRP H H 32 8.802 8.700 0.102 1
1 288 . 2 1 1 A 32 32 TRP CA C 32 61.090 60.002 1.088 1
1 289 . 2 1 1 A 32 32 TRP HA H 32 4.042 4.223 -0.181 1
1 290 . 2 1 1 A 32 32 TRP CB C 32 29.312 29.548 -0.236 1
1 305 . 2 1 1 A 32 32 TRP C C 32 177.947 178.639 -0.692 1
1 306 . 2 1 1 A 33 33 ILE N N 33 116.053 120.175 -4.122 1
1 307 . 2 1 1 A 33 33 ILE H H 33 7.288 8.132 -0.844 1
1 308 . 2 1 1 A 33 33 ILE CA C 33 63.891 65.320 -1.429 1
1 309 . 2 1 1 A 33 33 ILE HA H 33 3.827 3.871 -0.044 1
1 310 . 2 1 1 A 33 33 ILE CB C 33 38.065 37.752 0.313 1
1 323 . 2 1 1 A 33 33 ILE C C 33 177.979 178.235 -0.256 1
1 324 . 2 1 1 A 34 34 THR N N 34 111.457 113.823 -2.366 1
1 325 . 2 1 1 A 34 34 THR H H 34 7.640 8.215 -0.575 1
1 326 . 2 1 1 A 34 34 THR CA C 34 64.307 65.368 -1.061 1
1 327 . 2 1 1 A 34 34 THR HA H 34 3.990 3.904 0.086 1
1 328 . 2 1 1 A 34 34 THR CB C 34 69.088 67.764 1.324 1
1 334 . 2 1 1 A 34 34 THR C C 34 175.690 177.209 -1.519 1
1 335 . 2 1 1 A 35 35 HIS N N 35 118.326 119.450 -1.124 1
1 336 . 2 1 1 A 35 35 HIS H H 35 7.247 7.781 -0.534 1
1 337 . 2 1 1 A 35 35 HIS CA C 35 55.628 58.435 -2.807 1
1 338 . 2 1 1 A 35 35 HIS HA H 35 4.735 4.409 0.326 1
1 339 . 2 1 1 A 35 35 HIS CB C 35 28.391 30.045 -1.654 1
1 346 . 2 1 1 A 35 35 HIS C C 35 175.573 175.422 0.151 1
1 347 . 2 1 1 A 36 36 THR N N 36 113.348 108.903 4.445 1
1 348 . 2 1 1 A 36 36 THR H H 36 7.747 7.618 0.129 1
1 349 . 2 1 1 A 36 36 THR CA C 36 62.742 60.340 2.402 1
1 350 . 2 1 1 A 36 36 THR HA H 36 4.251 4.662 -0.411 1
1 351 . 2 1 1 A 36 36 THR CB C 36 69.711 71.486 -1.775 1
1 357 . 2 1 1 A 36 36 THR C C 36 174.653 173.863 0.790 1
1 358 . 2 1 1 A 37 37 ARG N N 37 122.448 123.165 -0.717 1
1 359 . 2 1 1 A 37 37 ARG H H 37 8.143 9.044 -0.901 1
1 360 . 2 1 1 A 37 37 ARG CA C 37 56.220 57.280 -1.060 1
1 361 . 2 1 1 A 37 37 ARG HA H 37 4.335 4.580 -0.245 1
1 362 . 2 1 1 A 37 37 ARG CB C 37 30.719 32.330 -1.611 1
1 371 . 2 1 1 A 37 37 ARG C C 37 176.124 176.779 -0.655 1
1 372 . 2 1 1 A 38 38 GLU N N 38 121.219 118.116 3.103 1
1 373 . 2 1 1 A 38 38 GLU H H 38 8.216 8.244 -0.028 1
1 374 . 2 1 1 A 38 38 GLU CA C 38 56.497 57.875 -1.378 1
1 375 . 2 1 1 A 38 38 GLU HA H 38 4.255 4.593 -0.338 1
1 376 . 2 1 1 A 38 38 GLU CB C 38 30.410 32.012 -1.602 1
1 382 . 2 1 1 A 38 38 GLU C C 38 176.132 176.158 -0.026 1
1 383 . 2 1 1 A 39 39 LYS N N 39 123.433 118.942 4.491 1
1 384 . 2 1 1 A 39 39 LYS H H 39 8.290 7.692 0.598 1
1 385 . 2 1 1 A 39 39 LYS CA C 39 54.206 53.416 0.790 1
1 386 . 2 1 1 A 39 39 LYS HA H 39 4.575 4.557 0.018 1
1 387 . 2 1 1 A 39 39 LYS CB C 39 32.516 32.398 0.118 1
1 396 . 2 1 1 A 39 39 LYS C C 39 174.396 174.363 0.033 1
1 397 . 2 1 1 A 40 40 PRO CA C 40 63.205 62.247 0.958 1
1 398 . 2 1 1 A 40 40 PRO HA H 40 4.463 4.604 -0.141 1
1 399 . 2 1 1 A 40 40 PRO CB C 40 32.160 32.964 -0.804 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.504 56.420 2.084 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.481 5.074 -0.593 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.922 65.983 -2.061 1
1 6 . 3 1 1 A 6 6 SER C C 6 175.079 174.111 0.968 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.906 113.822 -2.916 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.456 8.443 0.013 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.320 44.953 0.367 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 3.980 4.155 -0.175 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 3.980 4.158 -0.178 1
1 12 . 3 1 1 A 7 7 GLY C C 7 174.337 173.741 0.596 1
1 13 . 3 1 1 A 8 8 GLU N N 8 120.775 124.055 -3.280 1
1 14 . 3 1 1 A 8 8 GLU H H 8 8.343 8.781 -0.438 1
1 15 . 3 1 1 A 8 8 GLU CA C 8 56.857 56.725 0.132 1
1 16 . 3 1 1 A 8 8 GLU HA H 8 4.297 4.548 -0.251 1
1 17 . 3 1 1 A 8 8 GLU CB C 8 30.354 29.054 1.300 1
1 23 . 3 1 1 A 8 8 GLU C C 8 177.082 176.538 0.544 1
1 24 . 3 1 1 A 9 9 GLY N N 9 109.791 111.169 -1.378 1
1 25 . 3 1 1 A 9 9 GLY H H 9 8.472 8.413 0.059 1
1 26 . 3 1 1 A 9 9 GLY CA C 9 45.201 45.451 -0.250 1
1 27 . 3 1 1 A 9 9 GLY HA2 H 9 3.962 4.104 -0.142 1
1 28 . 3 1 1 A 9 9 GLY HA3 H 9 3.962 4.107 -0.145 1
1 29 . 3 1 1 A 9 9 GLY C C 9 173.936 172.329 1.607 1
1 30 . 3 1 1 A 10 10 GLU N N 10 120.213 123.622 -3.409 1
1 31 . 3 1 1 A 10 10 GLU H H 10 8.203 8.620 -0.417 1
1 32 . 3 1 1 A 10 10 GLU CA C 10 56.464 55.357 1.107 1
1 33 . 3 1 1 A 10 10 GLU HA H 10 4.280 4.747 -0.467 1
1 34 . 3 1 1 A 10 10 GLU CB C 10 30.387 31.643 -1.256 1
1 40 . 3 1 1 A 10 10 GLU C C 10 176.324 176.227 0.097 1
1 41 . 3 1 1 A 11 11 LYS N N 11 123.251 124.551 -1.300 1
1 42 . 3 1 1 A 11 11 LYS H H 11 8.292 8.673 -0.381 1
1 43 . 3 1 1 A 11 11 LYS CA C 11 54.057 54.389 -0.332 1
1 44 . 3 1 1 A 11 11 LYS HA H 11 4.538 4.367 0.171 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 32.749 31.970 0.779 1
1 57 . 3 1 1 A 12 12 PRO CA C 12 63.124 63.917 -0.793 1
1 58 . 3 1 1 A 12 12 PRO HA H 12 4.435 4.309 0.126 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.125 31.162 0.963 1
1 68 . 3 1 1 A 12 12 PRO C C 12 176.448 175.637 0.811 1
1 69 . 3 1 1 A 13 13 TYR N N 13 119.740 118.776 0.964 1
1 70 . 3 1 1 A 13 13 TYR H H 13 8.457 7.628 0.829 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.356 56.517 0.839 1
1 72 . 3 1 1 A 13 13 TYR HA H 13 4.537 5.009 -0.472 1
1 73 . 3 1 1 A 13 13 TYR CB C 13 38.918 38.983 -0.065 1
1 84 . 3 1 1 A 13 13 TYR C C 13 174.408 174.087 0.321 1
1 85 . 3 1 1 A 14 14 GLN N N 14 122.442 125.272 -2.830 1
1 86 . 3 1 1 A 14 14 GLN H H 14 8.482 8.930 -0.448 1
1 87 . 3 1 1 A 14 14 GLN CA C 14 54.562 54.216 0.346 1
1 88 . 3 1 1 A 14 14 GLN HA H 14 4.996 4.996 0.000 1
1 89 . 3 1 1 A 14 14 GLN CB C 14 31.639 31.634 0.005 1
1 98 . 3 1 1 A 14 14 GLN C C 14 175.180 174.933 0.247 1
1 99 . 3 1 1 A 15 15 CYS N N 15 128.228 126.361 1.867 1
1 100 . 3 1 1 A 15 15 CYS H H 15 9.319 8.891 0.428 1
1 101 . 3 1 1 A 15 15 CYS CA C 15 59.809 60.068 -0.259 1
1 102 . 3 1 1 A 15 15 CYS HA H 15 4.710 4.724 -0.014 1
1 103 . 3 1 1 A 15 15 CYS CB C 15 30.177 28.816 1.361 1
1 106 . 3 1 1 A 15 15 CYS C C 15 177.750 175.501 2.249 1
1 107 . 3 1 1 A 16 16 SER N N 16 128.171 123.153 5.018 1
1 108 . 3 1 1 A 16 16 SER H H 16 9.434 9.097 0.337 1
1 109 . 3 1 1 A 16 16 SER CA C 16 60.913 61.390 -0.477 1
1 110 . 3 1 1 A 16 16 SER HA H 16 4.299 4.339 -0.040 1
1 111 . 3 1 1 A 16 16 SER CB C 16 63.126 62.827 0.299 1
1 114 . 3 1 1 A 16 16 SER C C 16 174.606 176.822 -2.216 1
1 115 . 3 1 1 A 17 17 GLU N N 17 124.574 120.610 3.964 1
1 116 . 3 1 1 A 17 17 GLU H H 17 9.028 8.052 0.976 1
1 117 . 3 1 1 A 17 17 GLU CA C 17 57.949 59.254 -1.305 1
1 118 . 3 1 1 A 17 17 GLU HA H 17 4.338 3.788 0.550 1
1 119 . 3 1 1 A 17 17 GLU CB C 17 29.942 28.791 1.151 1
1 125 . 3 1 1 A 17 17 GLU C C 17 177.060 177.782 -0.722 1
1 126 . 3 1 1 A 18 18 CYS N N 18 114.918 114.881 0.037 1
1 127 . 3 1 1 A 18 18 CYS H H 18 8.089 7.787 0.302 1
1 128 . 3 1 1 A 18 18 CYS CA C 18 58.331 59.639 -1.308 1
1 129 . 3 1 1 A 18 18 CYS HA H 18 5.177 4.590 0.587 1
1 130 . 3 1 1 A 18 18 CYS CB C 18 32.407 29.699 2.708 1
1 133 . 3 1 1 A 18 18 CYS C C 18 176.482 175.269 1.213 1
1 134 . 3 1 1 A 19 19 GLY N N 19 113.022 109.877 3.145 1
1 135 . 3 1 1 A 19 19 GLY H H 19 8.104 8.047 0.057 1
1 136 . 3 1 1 A 19 19 GLY CA C 19 46.298 45.251 1.047 1
1 137 . 3 1 1 A 19 19 GLY HA2 H 19 3.856 4.031 -0.175 1
1 138 . 3 1 1 A 19 19 GLY HA3 H 19 4.240 4.032 0.208 1
1 139 . 3 1 1 A 19 19 GLY C C 19 173.951 174.087 -0.136 1
1 140 . 3 1 1 A 20 20 LYS N N 20 122.753 120.061 2.692 1
1 141 . 3 1 1 A 20 20 LYS H H 20 7.932 7.415 0.517 1
1 142 . 3 1 1 A 20 20 LYS CA C 20 57.933 54.316 3.617 1
1 143 . 3 1 1 A 20 20 LYS HA H 20 4.092 4.467 -0.375 1
1 144 . 3 1 1 A 20 20 LYS CB C 20 33.918 34.868 -0.950 1
1 156 . 3 1 1 A 20 20 LYS C C 20 174.553 175.115 -0.562 1
1 157 . 3 1 1 A 21 21 SER N N 21 115.470 116.771 -1.301 1
1 158 . 3 1 1 A 21 21 SER H H 21 7.982 8.500 -0.518 1
1 159 . 3 1 1 A 21 21 SER CA C 21 57.450 55.936 1.514 1
1 160 . 3 1 1 A 21 21 SER HA H 21 5.207 5.389 -0.182 1
1 161 . 3 1 1 A 21 21 SER CB C 21 65.453 65.874 -0.421 1
1 164 . 3 1 1 A 21 21 SER C C 21 173.111 173.144 -0.033 1
1 165 . 3 1 1 A 22 22 PHE N N 22 119.199 118.869 0.330 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.655 8.323 0.332 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.484 56.505 0.979 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.682 5.022 -0.340 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 44.042 44.011 0.031 1
1 182 . 3 1 1 A 22 22 PHE C C 22 175.277 174.360 0.917 1
1 183 . 3 1 1 A 23 23 SER CA C 23 58.896 57.357 1.539 1
1 184 . 3 1 1 A 23 23 SER HA H 23 4.571 4.852 -0.281 1
1 185 . 3 1 1 A 23 23 SER CB C 23 63.524 63.211 0.313 1
1 188 . 3 1 1 A 23 23 SER C C 23 174.297 173.608 0.689 1
1 189 . 3 1 1 A 24 24 GLY N N 24 109.456 110.785 -1.329 1
1 190 . 3 1 1 A 24 24 GLY H H 24 7.551 7.411 0.140 1
1 191 . 3 1 1 A 24 24 GLY CA C 24 44.838 45.939 -1.101 1
1 192 . 3 1 1 A 24 24 GLY HA2 H 24 4.047 4.042 0.005 1
1 193 . 3 1 1 A 24 24 GLY HA3 H 24 3.727 4.100 -0.373 1
1 194 . 3 1 1 A 24 24 GLY C C 24 172.500 174.171 -1.671 1
1 195 . 3 1 1 A 25 25 SER N N 25 115.599 117.731 -2.132 1
1 196 . 3 1 1 A 25 25 SER H H 25 8.260 8.870 -0.610 1
1 197 . 3 1 1 A 25 25 SER CA C 25 60.846 61.655 -0.809 1
1 198 . 3 1 1 A 25 25 SER HA H 25 3.496 3.652 -0.156 1
1 199 . 3 1 1 A 25 25 SER CB C 25 62.665 62.391 0.274 1
1 202 . 3 1 1 A 25 25 SER C C 25 176.919 175.866 1.053 1
1 203 . 3 1 1 A 26 26 TYR CA C 26 61.467 61.954 -0.487 1
1 204 . 3 1 1 A 26 26 TYR HA H 26 4.248 3.971 0.277 1
1 205 . 3 1 1 A 26 26 TYR CB C 26 37.421 38.415 -0.994 1
1 216 . 3 1 1 A 26 26 TYR C C 26 177.866 177.234 0.632 1
1 217 . 3 1 1 A 27 27 ARG N N 27 118.122 117.907 0.215 1
1 218 . 3 1 1 A 27 27 ARG H H 27 8.045 8.337 -0.292 1
1 219 . 3 1 1 A 27 27 ARG CA C 27 58.511 59.278 -0.767 1
1 220 . 3 1 1 A 27 27 ARG HA H 27 3.782 3.834 -0.052 1
1 221 . 3 1 1 A 27 27 ARG CB C 27 29.795 29.907 -0.112 1
1 230 . 3 1 1 A 27 27 ARG C C 27 179.215 178.537 0.678 1
1 231 . 3 1 1 A 28 28 LEU N N 28 120.580 121.383 -0.803 1
1 232 . 3 1 1 A 28 28 LEU H H 28 7.278 7.656 -0.378 1
1 233 . 3 1 1 A 28 28 LEU CA C 28 58.166 58.210 -0.044 1
1 234 . 3 1 1 A 28 28 LEU HA H 28 3.418 4.119 -0.701 1
1 235 . 3 1 1 A 28 28 LEU CB C 28 40.627 41.732 -1.105 1
1 248 . 3 1 1 A 28 28 LEU C C 28 177.435 178.613 -1.178 1
1 249 . 3 1 1 A 29 29 THR N N 29 116.295 114.023 2.272 1
1 250 . 3 1 1 A 29 29 THR H H 29 8.312 7.671 0.641 1
1 251 . 3 1 1 A 29 29 THR CA C 29 66.882 66.073 0.809 1
1 252 . 3 1 1 A 29 29 THR HA H 29 3.772 3.601 0.171 1
1 253 . 3 1 1 A 29 29 THR CB C 29 68.537 68.165 0.372 1
1 259 . 3 1 1 A 29 29 THR C C 29 176.805 176.449 0.356 1
1 260 . 3 1 1 A 30 30 GLN N N 30 118.689 118.738 -0.049 1
1 261 . 3 1 1 A 30 30 GLN H H 30 7.785 8.041 -0.256 1
1 262 . 3 1 1 A 30 30 GLN CA C 30 58.073 57.723 0.350 1
1 263 . 3 1 1 A 30 30 GLN HA H 30 3.872 3.942 -0.070 1
1 264 . 3 1 1 A 30 30 GLN CB C 30 28.779 27.672 1.107 1
1 273 . 3 1 1 A 30 30 GLN C C 30 178.292 177.824 0.468 1
1 274 . 3 1 1 A 31 31 HIS N N 31 118.694 119.565 -0.871 1
1 275 . 3 1 1 A 31 31 HIS H H 31 7.558 7.803 -0.245 1
1 276 . 3 1 1 A 31 31 HIS CA C 31 58.746 59.193 -0.447 1
1 277 . 3 1 1 A 31 31 HIS HA H 31 4.210 4.194 0.016 1
1 278 . 3 1 1 A 31 31 HIS CB C 31 27.916 29.963 -2.047 1
1 285 . 3 1 1 A 31 31 HIS C C 31 177.522 176.984 0.538 1
1 286 . 3 1 1 A 32 32 TRP N N 32 122.468 119.219 3.249 1
1 287 . 3 1 1 A 32 32 TRP H H 32 8.802 8.677 0.125 1
1 288 . 3 1 1 A 32 32 TRP CA C 32 61.090 59.967 1.123 1
1 289 . 3 1 1 A 32 32 TRP HA H 32 4.042 4.449 -0.407 1
1 290 . 3 1 1 A 32 32 TRP CB C 32 29.312 29.153 0.159 1
1 305 . 3 1 1 A 32 32 TRP C C 32 177.947 178.851 -0.904 1
1 306 . 3 1 1 A 33 33 ILE N N 33 116.053 120.654 -4.601 1
1 307 . 3 1 1 A 33 33 ILE H H 33 7.288 7.813 -0.525 1
1 308 . 3 1 1 A 33 33 ILE CA C 33 63.891 64.909 -1.018 1
1 309 . 3 1 1 A 33 33 ILE HA H 33 3.827 3.697 0.130 1
1 310 . 3 1 1 A 33 33 ILE CB C 33 38.065 37.248 0.817 1
1 323 . 3 1 1 A 33 33 ILE C C 33 177.979 178.096 -0.117 1
1 324 . 3 1 1 A 34 34 THR N N 34 111.457 113.311 -1.854 1
1 325 . 3 1 1 A 34 34 THR H H 34 7.640 7.925 -0.285 1
1 326 . 3 1 1 A 34 34 THR CA C 34 64.307 65.258 -0.951 1
1 327 . 3 1 1 A 34 34 THR HA H 34 3.990 3.921 0.069 1
1 328 . 3 1 1 A 34 34 THR CB C 34 69.088 68.396 0.692 1
1 334 . 3 1 1 A 34 34 THR C C 34 175.690 175.352 0.338 1
1 335 . 3 1 1 A 35 35 HIS N N 35 118.326 118.831 -0.505 1
1 336 . 3 1 1 A 35 35 HIS H H 35 7.247 7.482 -0.235 1
1 337 . 3 1 1 A 35 35 HIS CA C 35 55.628 55.714 -0.086 1
1 338 . 3 1 1 A 35 35 HIS HA H 35 4.735 4.544 0.191 1
1 339 . 3 1 1 A 35 35 HIS CB C 35 28.391 28.990 -0.599 1
1 346 . 3 1 1 A 35 35 HIS C C 35 175.573 175.491 0.082 1
1 347 . 3 1 1 A 36 36 THR N N 36 113.348 113.582 -0.234 1
1 348 . 3 1 1 A 36 36 THR H H 36 7.747 7.755 -0.008 1
1 349 . 3 1 1 A 36 36 THR CA C 36 62.742 64.080 -1.338 1
1 350 . 3 1 1 A 36 36 THR HA H 36 4.251 4.403 -0.152 1
1 351 . 3 1 1 A 36 36 THR CB C 36 69.711 69.607 0.104 1
1 357 . 3 1 1 A 36 36 THR C C 36 174.653 176.162 -1.509 1
1 358 . 3 1 1 A 37 37 ARG N N 37 122.448 120.574 1.874 1
1 359 . 3 1 1 A 37 37 ARG H H 37 8.143 8.055 0.088 1
1 360 . 3 1 1 A 37 37 ARG CA C 37 56.220 58.829 -2.609 1
1 361 . 3 1 1 A 37 37 ARG HA H 37 4.335 4.138 0.197 1
1 362 . 3 1 1 A 37 37 ARG CB C 37 30.719 29.726 0.993 1
1 371 . 3 1 1 A 37 37 ARG C C 37 176.124 176.324 -0.200 1
1 372 . 3 1 1 A 38 38 GLU N N 38 121.219 117.794 3.425 1
1 373 . 3 1 1 A 38 38 GLU H H 38 8.216 8.002 0.214 1
1 374 . 3 1 1 A 38 38 GLU CA C 38 56.497 55.237 1.260 1
1 375 . 3 1 1 A 38 38 GLU HA H 38 4.255 4.631 -0.376 1
1 376 . 3 1 1 A 38 38 GLU CB C 38 30.410 32.432 -2.022 1
1 382 . 3 1 1 A 38 38 GLU C C 38 176.132 175.886 0.246 1
1 383 . 3 1 1 A 39 39 LYS N N 39 123.433 124.366 -0.933 1
1 384 . 3 1 1 A 39 39 LYS H H 39 8.290 8.333 -0.043 1
1 385 . 3 1 1 A 39 39 LYS CA C 39 54.206 55.412 -1.206 1
1 386 . 3 1 1 A 39 39 LYS HA H 39 4.575 4.255 0.320 1
1 387 . 3 1 1 A 39 39 LYS CB C 39 32.516 32.117 0.399 1
1 396 . 3 1 1 A 39 39 LYS C C 39 174.396 174.834 -0.438 1
1 397 . 3 1 1 A 40 40 PRO CA C 40 63.205 62.732 0.473 1
1 398 . 3 1 1 A 40 40 PRO HA H 40 4.463 4.678 -0.215 1
1 399 . 3 1 1 A 40 40 PRO CB C 40 32.160 32.830 -0.670 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.504 56.721 1.783 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.481 5.096 -0.615 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.922 65.263 -1.341 1
1 6 . 4 1 1 A 6 6 SER C C 6 175.079 174.364 0.715 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.906 113.264 -2.358 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.456 8.568 -0.112 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.320 45.194 0.126 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 3.980 4.034 -0.054 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 3.980 4.035 -0.055 1
1 12 . 4 1 1 A 7 7 GLY C C 7 174.337 174.719 -0.382 1
1 13 . 4 1 1 A 8 8 GLU N N 8 120.775 124.461 -3.686 1
1 14 . 4 1 1 A 8 8 GLU H H 8 8.343 8.937 -0.594 1
1 15 . 4 1 1 A 8 8 GLU CA C 8 56.857 57.434 -0.577 1
1 16 . 4 1 1 A 8 8 GLU HA H 8 4.297 4.379 -0.082 1
1 17 . 4 1 1 A 8 8 GLU CB C 8 30.354 31.048 -0.694 1
1 23 . 4 1 1 A 8 8 GLU C C 8 177.082 176.342 0.740 1
1 24 . 4 1 1 A 9 9 GLY N N 9 109.791 106.681 3.110 1
1 25 . 4 1 1 A 9 9 GLY H H 9 8.472 7.456 1.016 1
1 26 . 4 1 1 A 9 9 GLY CA C 9 45.201 46.129 -0.928 1
1 27 . 4 1 1 A 9 9 GLY HA2 H 9 3.962 4.058 -0.096 1
1 28 . 4 1 1 A 9 9 GLY HA3 H 9 3.962 4.059 -0.097 1
1 29 . 4 1 1 A 9 9 GLY C C 9 173.936 172.117 1.819 1
1 30 . 4 1 1 A 10 10 GLU N N 10 120.213 123.523 -3.310 1
1 31 . 4 1 1 A 10 10 GLU H H 10 8.203 8.357 -0.154 1
1 32 . 4 1 1 A 10 10 GLU CA C 10 56.464 56.478 -0.014 1
1 33 . 4 1 1 A 10 10 GLU HA H 10 4.280 4.334 -0.054 1
1 34 . 4 1 1 A 10 10 GLU CB C 10 30.387 30.030 0.357 1
1 40 . 4 1 1 A 10 10 GLU C C 10 176.324 176.307 0.017 1
1 41 . 4 1 1 A 11 11 LYS N N 11 123.251 126.964 -3.713 1
1 42 . 4 1 1 A 11 11 LYS H H 11 8.292 8.925 -0.633 1
1 43 . 4 1 1 A 11 11 LYS CA C 11 54.057 53.459 0.598 1
1 44 . 4 1 1 A 11 11 LYS HA H 11 4.538 4.690 -0.152 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 32.749 32.353 0.396 1
1 57 . 4 1 1 A 12 12 PRO CA C 12 63.124 64.144 -1.020 1
1 58 . 4 1 1 A 12 12 PRO HA H 12 4.435 4.274 0.161 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.125 31.875 0.250 1
1 68 . 4 1 1 A 12 12 PRO C C 12 176.448 175.713 0.735 1
1 69 . 4 1 1 A 13 13 TYR N N 13 119.740 117.546 2.194 1
1 70 . 4 1 1 A 13 13 TYR H H 13 8.457 7.509 0.948 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.356 56.645 0.711 1
1 72 . 4 1 1 A 13 13 TYR HA H 13 4.537 5.154 -0.617 1
1 73 . 4 1 1 A 13 13 TYR CB C 13 38.918 42.091 -3.173 1
1 84 . 4 1 1 A 13 13 TYR C C 13 174.408 174.047 0.361 1
1 85 . 4 1 1 A 14 14 GLN N N 14 122.442 124.313 -1.871 1
1 86 . 4 1 1 A 14 14 GLN H H 14 8.482 9.065 -0.583 1
1 87 . 4 1 1 A 14 14 GLN CA C 14 54.562 54.287 0.275 1
1 88 . 4 1 1 A 14 14 GLN HA H 14 4.996 5.088 -0.092 1
1 89 . 4 1 1 A 14 14 GLN CB C 14 31.639 31.825 -0.186 1
1 98 . 4 1 1 A 14 14 GLN C C 14 175.180 175.148 0.032 1
1 99 . 4 1 1 A 15 15 CYS N N 15 128.228 126.281 1.947 1
1 100 . 4 1 1 A 15 15 CYS H H 15 9.319 8.998 0.321 1
1 101 . 4 1 1 A 15 15 CYS CA C 15 59.809 60.514 -0.705 1
1 102 . 4 1 1 A 15 15 CYS HA H 15 4.710 4.813 -0.103 1
1 103 . 4 1 1 A 15 15 CYS CB C 15 30.177 29.242 0.935 1
1 106 . 4 1 1 A 15 15 CYS C C 15 177.750 175.572 2.178 1
1 107 . 4 1 1 A 16 16 SER N N 16 128.171 122.275 5.896 1
1 108 . 4 1 1 A 16 16 SER H H 16 9.434 9.082 0.352 1
1 109 . 4 1 1 A 16 16 SER CA C 16 60.913 61.234 -0.321 1
1 110 . 4 1 1 A 16 16 SER HA H 16 4.299 4.233 0.066 1
1 111 . 4 1 1 A 16 16 SER CB C 16 63.126 63.003 0.123 1
1 114 . 4 1 1 A 16 16 SER C C 16 174.606 176.646 -2.040 1
1 115 . 4 1 1 A 17 17 GLU N N 17 124.574 120.566 4.008 1
1 116 . 4 1 1 A 17 17 GLU H H 17 9.028 7.933 1.095 1
1 117 . 4 1 1 A 17 17 GLU CA C 17 57.949 58.993 -1.044 1
1 118 . 4 1 1 A 17 17 GLU HA H 17 4.338 3.683 0.655 1
1 119 . 4 1 1 A 17 17 GLU CB C 17 29.942 28.401 1.541 1
1 125 . 4 1 1 A 17 17 GLU C C 17 177.060 177.695 -0.635 1
1 126 . 4 1 1 A 18 18 CYS N N 18 114.918 114.339 0.579 1
1 127 . 4 1 1 A 18 18 CYS H H 18 8.089 7.694 0.395 1
1 128 . 4 1 1 A 18 18 CYS CA C 18 58.331 59.524 -1.193 1
1 129 . 4 1 1 A 18 18 CYS HA H 18 5.177 4.591 0.586 1
1 130 . 4 1 1 A 18 18 CYS CB C 18 32.407 29.752 2.655 1
1 133 . 4 1 1 A 18 18 CYS C C 18 176.482 175.405 1.077 1
1 134 . 4 1 1 A 19 19 GLY N N 19 113.022 109.698 3.324 1
1 135 . 4 1 1 A 19 19 GLY H H 19 8.104 8.227 -0.123 1
1 136 . 4 1 1 A 19 19 GLY CA C 19 46.298 45.695 0.603 1
1 137 . 4 1 1 A 19 19 GLY HA2 H 19 3.856 4.022 -0.166 1
1 138 . 4 1 1 A 19 19 GLY HA3 H 19 4.240 4.033 0.207 1
1 139 . 4 1 1 A 19 19 GLY C C 19 173.951 174.082 -0.131 1
1 140 . 4 1 1 A 20 20 LYS N N 20 122.753 120.000 2.753 1
1 141 . 4 1 1 A 20 20 LYS H H 20 7.932 7.497 0.435 1
1 142 . 4 1 1 A 20 20 LYS CA C 20 57.933 54.381 3.552 1
1 143 . 4 1 1 A 20 20 LYS HA H 20 4.092 4.574 -0.482 1
1 144 . 4 1 1 A 20 20 LYS CB C 20 33.918 35.131 -1.213 1
1 156 . 4 1 1 A 20 20 LYS C C 20 174.553 175.019 -0.466 1
1 157 . 4 1 1 A 21 21 SER N N 21 115.470 117.978 -2.508 1
1 158 . 4 1 1 A 21 21 SER H H 21 7.982 8.734 -0.752 1
1 159 . 4 1 1 A 21 21 SER CA C 21 57.450 56.121 1.329 1
1 160 . 4 1 1 A 21 21 SER HA H 21 5.207 5.469 -0.262 1
1 161 . 4 1 1 A 21 21 SER CB C 21 65.453 65.763 -0.310 1
1 164 . 4 1 1 A 21 21 SER C C 21 173.111 173.420 -0.309 1
1 165 . 4 1 1 A 22 22 PHE N N 22 119.199 119.022 0.177 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.655 8.274 0.381 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.484 56.532 0.952 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.682 4.935 -0.253 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 44.042 44.059 -0.017 1
1 182 . 4 1 1 A 22 22 PHE C C 22 175.277 175.314 -0.037 1
1 183 . 4 1 1 A 23 23 SER CA C 23 58.896 57.393 1.503 1
1 184 . 4 1 1 A 23 23 SER HA H 23 4.571 4.796 -0.225 1
1 185 . 4 1 1 A 23 23 SER CB C 23 63.524 63.045 0.479 1
1 188 . 4 1 1 A 23 23 SER C C 23 174.297 174.187 0.110 1
1 189 . 4 1 1 A 24 24 GLY N N 24 109.456 109.945 -0.489 1
1 190 . 4 1 1 A 24 24 GLY H H 24 7.551 7.479 0.072 1
1 191 . 4 1 1 A 24 24 GLY CA C 24 44.838 45.917 -1.079 1
1 192 . 4 1 1 A 24 24 GLY HA2 H 24 4.047 4.154 -0.107 1
1 193 . 4 1 1 A 24 24 GLY HA3 H 24 3.727 4.158 -0.431 1
1 194 . 4 1 1 A 24 24 GLY C C 24 172.500 174.454 -1.954 1
1 195 . 4 1 1 A 25 25 SER N N 25 115.599 116.823 -1.224 1
1 196 . 4 1 1 A 25 25 SER H H 25 8.260 8.662 -0.402 1
1 197 . 4 1 1 A 25 25 SER CA C 25 60.846 61.057 -0.211 1
1 198 . 4 1 1 A 25 25 SER HA H 25 3.496 3.628 -0.132 1
1 199 . 4 1 1 A 25 25 SER CB C 25 62.665 62.061 0.604 1
1 202 . 4 1 1 A 25 25 SER C C 25 176.919 175.966 0.953 1
1 203 . 4 1 1 A 26 26 TYR CA C 26 61.467 61.893 -0.426 1
1 204 . 4 1 1 A 26 26 TYR HA H 26 4.248 3.935 0.313 1
1 205 . 4 1 1 A 26 26 TYR CB C 26 37.421 38.944 -1.523 1
1 216 . 4 1 1 A 26 26 TYR C C 26 177.866 177.369 0.497 1
1 217 . 4 1 1 A 27 27 ARG N N 27 118.122 119.731 -1.609 1
1 218 . 4 1 1 A 27 27 ARG H H 27 8.045 8.195 -0.150 1
1 219 . 4 1 1 A 27 27 ARG CA C 27 58.511 58.911 -0.400 1
1 220 . 4 1 1 A 27 27 ARG HA H 27 3.782 4.026 -0.244 1
1 221 . 4 1 1 A 27 27 ARG CB C 27 29.795 29.792 0.003 1
1 230 . 4 1 1 A 27 27 ARG C C 27 179.215 177.990 1.225 1
1 231 . 4 1 1 A 28 28 LEU N N 28 120.580 120.500 0.080 1
1 232 . 4 1 1 A 28 28 LEU H H 28 7.278 7.865 -0.587 1
1 233 . 4 1 1 A 28 28 LEU CA C 28 58.166 58.563 -0.397 1
1 234 . 4 1 1 A 28 28 LEU HA H 28 3.418 3.866 -0.448 1
1 235 . 4 1 1 A 28 28 LEU CB C 28 40.627 41.918 -1.291 1
1 248 . 4 1 1 A 28 28 LEU C C 28 177.435 178.562 -1.127 1
1 249 . 4 1 1 A 29 29 THR N N 29 116.295 113.796 2.499 1
1 250 . 4 1 1 A 29 29 THR H H 29 8.312 7.756 0.556 1
1 251 . 4 1 1 A 29 29 THR CA C 29 66.882 65.892 0.990 1
1 252 . 4 1 1 A 29 29 THR HA H 29 3.772 3.669 0.103 1
1 253 . 4 1 1 A 29 29 THR CB C 29 68.537 69.396 -0.859 1
1 259 . 4 1 1 A 29 29 THR C C 29 176.805 176.196 0.609 1
1 260 . 4 1 1 A 30 30 GLN N N 30 118.689 118.633 0.056 1
1 261 . 4 1 1 A 30 30 GLN H H 30 7.785 7.641 0.144 1
1 262 . 4 1 1 A 30 30 GLN CA C 30 58.073 58.910 -0.837 1
1 263 . 4 1 1 A 30 30 GLN HA H 30 3.872 3.897 -0.025 1
1 264 . 4 1 1 A 30 30 GLN CB C 30 28.779 28.283 0.496 1
1 273 . 4 1 1 A 30 30 GLN C C 30 178.292 178.478 -0.186 1
1 274 . 4 1 1 A 31 31 HIS N N 31 118.694 120.265 -1.571 1
1 275 . 4 1 1 A 31 31 HIS H H 31 7.558 8.133 -0.575 1
1 276 . 4 1 1 A 31 31 HIS CA C 31 58.746 59.142 -0.396 1
1 277 . 4 1 1 A 31 31 HIS HA H 31 4.210 4.212 -0.002 1
1 278 . 4 1 1 A 31 31 HIS CB C 31 27.916 30.082 -2.166 1
1 285 . 4 1 1 A 31 31 HIS C C 31 177.522 177.090 0.432 1
1 286 . 4 1 1 A 32 32 TRP N N 32 122.468 118.499 3.969 1
1 287 . 4 1 1 A 32 32 TRP H H 32 8.802 8.715 0.087 1
1 288 . 4 1 1 A 32 32 TRP CA C 32 61.090 60.033 1.057 1
1 289 . 4 1 1 A 32 32 TRP HA H 32 4.042 4.198 -0.156 1
1 290 . 4 1 1 A 32 32 TRP CB C 32 29.312 29.490 -0.178 1
1 305 . 4 1 1 A 32 32 TRP C C 32 177.947 178.650 -0.703 1
1 306 . 4 1 1 A 33 33 ILE N N 33 116.053 120.277 -4.224 1
1 307 . 4 1 1 A 33 33 ILE H H 33 7.288 8.216 -0.928 1
1 308 . 4 1 1 A 33 33 ILE CA C 33 63.891 65.332 -1.441 1
1 309 . 4 1 1 A 33 33 ILE HA H 33 3.827 3.742 0.085 1
1 310 . 4 1 1 A 33 33 ILE CB C 33 38.065 37.822 0.243 1
1 323 . 4 1 1 A 33 33 ILE C C 33 177.979 178.213 -0.234 1
1 324 . 4 1 1 A 34 34 THR N N 34 111.457 113.744 -2.287 1
1 325 . 4 1 1 A 34 34 THR H H 34 7.640 8.268 -0.628 1
1 326 . 4 1 1 A 34 34 THR CA C 34 64.307 65.379 -1.072 1
1 327 . 4 1 1 A 34 34 THR HA H 34 3.990 3.898 0.092 1
1 328 . 4 1 1 A 34 34 THR CB C 34 69.088 67.649 1.439 1
1 334 . 4 1 1 A 34 34 THR C C 34 175.690 177.086 -1.396 1
1 335 . 4 1 1 A 35 35 HIS N N 35 118.326 119.452 -1.126 1
1 336 . 4 1 1 A 35 35 HIS H H 35 7.247 7.723 -0.476 1
1 337 . 4 1 1 A 35 35 HIS CA C 35 55.628 59.688 -4.060 1
1 338 . 4 1 1 A 35 35 HIS HA H 35 4.735 4.242 0.493 1
1 339 . 4 1 1 A 35 35 HIS CB C 35 28.391 30.530 -2.139 1
1 346 . 4 1 1 A 35 35 HIS C C 35 175.573 177.704 -2.131 1
1 347 . 4 1 1 A 36 36 THR N N 36 113.348 115.228 -1.880 1
1 348 . 4 1 1 A 36 36 THR H H 36 7.747 7.797 -0.050 1
1 349 . 4 1 1 A 36 36 THR CA C 36 62.742 66.914 -4.172 1
1 350 . 4 1 1 A 36 36 THR HA H 36 4.251 3.879 0.372 1
1 351 . 4 1 1 A 36 36 THR CB C 36 69.711 68.586 1.125 1
1 357 . 4 1 1 A 36 36 THR C C 36 174.653 175.556 -0.903 1
1 358 . 4 1 1 A 37 37 ARG N N 37 122.448 120.126 2.322 1
1 359 . 4 1 1 A 37 37 ARG H H 37 8.143 7.984 0.159 1
1 360 . 4 1 1 A 37 37 ARG CA C 37 56.220 56.166 0.054 1
1 361 . 4 1 1 A 37 37 ARG HA H 37 4.335 4.249 0.086 1
1 362 . 4 1 1 A 37 37 ARG CB C 37 30.719 30.621 0.098 1
1 371 . 4 1 1 A 37 37 ARG C C 37 176.124 176.568 -0.444 1
1 372 . 4 1 1 A 38 38 GLU N N 38 121.219 125.674 -4.455 1
1 373 . 4 1 1 A 38 38 GLU H H 38 8.216 8.572 -0.356 1
1 374 . 4 1 1 A 38 38 GLU CA C 38 56.497 57.518 -1.021 1
1 375 . 4 1 1 A 38 38 GLU HA H 38 4.255 4.280 -0.025 1
1 376 . 4 1 1 A 38 38 GLU CB C 38 30.410 29.933 0.477 1
1 382 . 4 1 1 A 38 38 GLU C C 38 176.132 175.191 0.941 1
1 383 . 4 1 1 A 39 39 LYS N N 39 123.433 126.406 -2.973 1
1 384 . 4 1 1 A 39 39 LYS H H 39 8.290 8.528 -0.238 1
1 385 . 4 1 1 A 39 39 LYS CA C 39 54.206 53.081 1.125 1
1 386 . 4 1 1 A 39 39 LYS HA H 39 4.575 4.776 -0.201 1
1 387 . 4 1 1 A 39 39 LYS CB C 39 32.516 35.839 -3.323 1
1 396 . 4 1 1 A 39 39 LYS C C 39 174.396 173.722 0.674 1
1 397 . 4 1 1 A 40 40 PRO CA C 40 63.205 62.889 0.316 1
1 398 . 4 1 1 A 40 40 PRO HA H 40 4.463 4.657 -0.194 1
1 399 . 4 1 1 A 40 40 PRO CB C 40 32.160 31.724 0.436 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.504 61.151 -2.647 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.481 4.088 0.393 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.922 63.645 0.277 1
1 6 . 5 1 1 A 6 6 SER C C 6 175.079 174.685 0.394 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.906 108.305 2.601 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.456 7.870 0.586 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.320 45.487 -0.167 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 3.980 4.045 -0.065 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 3.980 4.045 -0.065 1
1 12 . 5 1 1 A 7 7 GLY C C 7 174.337 173.678 0.659 1
1 13 . 5 1 1 A 8 8 GLU N N 8 120.775 116.521 4.254 1
1 14 . 5 1 1 A 8 8 GLU H H 8 8.343 7.763 0.580 1
1 15 . 5 1 1 A 8 8 GLU CA C 8 56.857 54.471 2.386 1
1 16 . 5 1 1 A 8 8 GLU HA H 8 4.297 4.908 -0.611 1
1 17 . 5 1 1 A 8 8 GLU CB C 8 30.354 32.501 -2.147 1
1 23 . 5 1 1 A 8 8 GLU C C 8 177.082 175.103 1.979 1
1 24 . 5 1 1 A 9 9 GLY N N 9 109.791 109.385 0.406 1
1 25 . 5 1 1 A 9 9 GLY H H 9 8.472 8.662 -0.190 1
1 26 . 5 1 1 A 9 9 GLY CA C 9 45.201 44.496 0.705 1
1 27 . 5 1 1 A 9 9 GLY HA2 H 9 3.962 4.081 -0.119 1
1 28 . 5 1 1 A 9 9 GLY HA3 H 9 3.962 4.084 -0.122 1
1 29 . 5 1 1 A 9 9 GLY C C 9 173.936 173.137 0.799 1
1 30 . 5 1 1 A 10 10 GLU N N 10 120.213 120.418 -0.205 1
1 31 . 5 1 1 A 10 10 GLU H H 10 8.203 8.459 -0.256 1
1 32 . 5 1 1 A 10 10 GLU CA C 10 56.464 55.636 0.828 1
1 33 . 5 1 1 A 10 10 GLU HA H 10 4.280 4.797 -0.517 1
1 34 . 5 1 1 A 10 10 GLU CB C 10 30.387 31.251 -0.864 1
1 40 . 5 1 1 A 10 10 GLU C C 10 176.324 175.328 0.996 1
1 41 . 5 1 1 A 11 11 LYS N N 11 123.251 121.091 2.160 1
1 42 . 5 1 1 A 11 11 LYS H H 11 8.292 8.507 -0.215 1
1 43 . 5 1 1 A 11 11 LYS CA C 11 54.057 52.866 1.191 1
1 44 . 5 1 1 A 11 11 LYS HA H 11 4.538 4.814 -0.276 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 32.749 34.077 -1.328 1
1 57 . 5 1 1 A 12 12 PRO CA C 12 63.124 64.726 -1.602 1
1 58 . 5 1 1 A 12 12 PRO HA H 12 4.435 4.535 -0.100 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.125 32.090 0.035 1
1 68 . 5 1 1 A 12 12 PRO C C 12 176.448 176.323 0.125 1
1 69 . 5 1 1 A 13 13 TYR N N 13 119.740 117.585 2.155 1
1 70 . 5 1 1 A 13 13 TYR H H 13 8.457 7.961 0.496 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.356 56.399 0.957 1
1 72 . 5 1 1 A 13 13 TYR HA H 13 4.537 4.941 -0.404 1
1 73 . 5 1 1 A 13 13 TYR CB C 13 38.918 38.843 0.075 1
1 84 . 5 1 1 A 13 13 TYR C C 13 174.408 174.149 0.259 1
1 85 . 5 1 1 A 14 14 GLN N N 14 122.442 124.459 -2.017 1
1 86 . 5 1 1 A 14 14 GLN H H 14 8.482 8.710 -0.228 1
1 87 . 5 1 1 A 14 14 GLN CA C 14 54.562 54.698 -0.136 1
1 88 . 5 1 1 A 14 14 GLN HA H 14 4.996 5.216 -0.220 1
1 89 . 5 1 1 A 14 14 GLN CB C 14 31.639 32.706 -1.067 1
1 98 . 5 1 1 A 14 14 GLN C C 14 175.180 174.571 0.609 1
1 99 . 5 1 1 A 15 15 CYS N N 15 128.228 125.618 2.610 1
1 100 . 5 1 1 A 15 15 CYS H H 15 9.319 9.420 -0.101 1
1 101 . 5 1 1 A 15 15 CYS CA C 15 59.809 60.148 -0.339 1
1 102 . 5 1 1 A 15 15 CYS HA H 15 4.710 4.789 -0.079 1
1 103 . 5 1 1 A 15 15 CYS CB C 15 30.177 28.797 1.380 1
1 106 . 5 1 1 A 15 15 CYS C C 15 177.750 174.507 3.243 1
1 107 . 5 1 1 A 16 16 SER N N 16 128.171 119.875 8.296 1
1 108 . 5 1 1 A 16 16 SER H H 16 9.434 8.835 0.599 1
1 109 . 5 1 1 A 16 16 SER CA C 16 60.913 59.665 1.248 1
1 110 . 5 1 1 A 16 16 SER HA H 16 4.299 4.492 -0.193 1
1 111 . 5 1 1 A 16 16 SER CB C 16 63.126 64.762 -1.636 1
1 114 . 5 1 1 A 16 16 SER C C 16 174.606 176.333 -1.727 1
1 115 . 5 1 1 A 17 17 GLU N N 17 124.574 121.392 3.182 1
1 116 . 5 1 1 A 17 17 GLU H H 17 9.028 8.098 0.930 1
1 117 . 5 1 1 A 17 17 GLU CA C 17 57.949 59.197 -1.248 1
1 118 . 5 1 1 A 17 17 GLU HA H 17 4.338 3.777 0.561 1
1 119 . 5 1 1 A 17 17 GLU CB C 17 29.942 28.726 1.216 1
1 125 . 5 1 1 A 17 17 GLU C C 17 177.060 178.002 -0.942 1
1 126 . 5 1 1 A 18 18 CYS N N 18 114.918 114.642 0.276 1
1 127 . 5 1 1 A 18 18 CYS H H 18 8.089 7.701 0.388 1
1 128 . 5 1 1 A 18 18 CYS CA C 18 58.331 59.594 -1.263 1
1 129 . 5 1 1 A 18 18 CYS HA H 18 5.177 4.580 0.597 1
1 130 . 5 1 1 A 18 18 CYS CB C 18 32.407 29.763 2.644 1
1 133 . 5 1 1 A 18 18 CYS C C 18 176.482 175.417 1.065 1
1 134 . 5 1 1 A 19 19 GLY N N 19 113.022 109.636 3.386 1
1 135 . 5 1 1 A 19 19 GLY H H 19 8.104 8.438 -0.334 1
1 136 . 5 1 1 A 19 19 GLY CA C 19 46.298 46.355 -0.057 1
1 137 . 5 1 1 A 19 19 GLY HA2 H 19 3.856 4.005 -0.149 1
1 138 . 5 1 1 A 19 19 GLY HA3 H 19 4.240 4.025 0.215 1
1 139 . 5 1 1 A 19 19 GLY C C 19 173.951 174.118 -0.167 1
1 140 . 5 1 1 A 20 20 LYS N N 20 122.753 119.870 2.883 1
1 141 . 5 1 1 A 20 20 LYS H H 20 7.932 7.850 0.082 1
1 142 . 5 1 1 A 20 20 LYS CA C 20 57.933 54.571 3.362 1
1 143 . 5 1 1 A 20 20 LYS HA H 20 4.092 4.868 -0.776 1
1 144 . 5 1 1 A 20 20 LYS CB C 20 33.918 36.208 -2.290 1
1 156 . 5 1 1 A 20 20 LYS C C 20 174.553 175.462 -0.909 1
1 157 . 5 1 1 A 21 21 SER N N 21 115.470 120.618 -5.148 1
1 158 . 5 1 1 A 21 21 SER H H 21 7.982 8.861 -0.879 1
1 159 . 5 1 1 A 21 21 SER CA C 21 57.450 58.361 -0.911 1
1 160 . 5 1 1 A 21 21 SER HA H 21 5.207 5.268 -0.061 1
1 161 . 5 1 1 A 21 21 SER CB C 21 65.453 64.534 0.919 1
1 164 . 5 1 1 A 21 21 SER C C 21 173.111 173.542 -0.431 1
1 165 . 5 1 1 A 22 22 PHE N N 22 119.199 123.852 -4.653 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.655 8.636 0.019 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.484 56.657 0.827 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.682 4.925 -0.243 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 44.042 42.843 1.199 1
1 182 . 5 1 1 A 22 22 PHE C C 22 175.277 176.188 -0.911 1
1 183 . 5 1 1 A 23 23 SER CA C 23 58.896 62.420 -3.524 1
1 184 . 5 1 1 A 23 23 SER HA H 23 4.571 4.097 0.474 1
1 185 . 5 1 1 A 23 23 SER CB C 23 63.524 62.955 0.569 1
1 188 . 5 1 1 A 23 23 SER C C 23 174.297 174.936 -0.639 1
1 189 . 5 1 1 A 24 24 GLY N N 24 109.456 105.852 3.604 1
1 190 . 5 1 1 A 24 24 GLY H H 24 7.551 7.764 -0.213 1
1 191 . 5 1 1 A 24 24 GLY CA C 24 44.838 45.308 -0.470 1
1 192 . 5 1 1 A 24 24 GLY HA2 H 24 4.047 3.834 0.213 1
1 193 . 5 1 1 A 24 24 GLY HA3 H 24 3.727 4.021 -0.294 1
1 194 . 5 1 1 A 24 24 GLY C C 24 172.500 174.777 -2.277 1
1 195 . 5 1 1 A 25 25 SER N N 25 115.599 117.020 -1.421 1
1 196 . 5 1 1 A 25 25 SER H H 25 8.260 9.054 -0.794 1
1 197 . 5 1 1 A 25 25 SER CA C 25 60.846 61.675 -0.829 1
1 198 . 5 1 1 A 25 25 SER HA H 25 3.496 4.320 -0.824 1
1 199 . 5 1 1 A 25 25 SER CB C 25 62.665 63.081 -0.416 1
1 202 . 5 1 1 A 25 25 SER C C 25 176.919 176.512 0.407 1
1 203 . 5 1 1 A 26 26 TYR CA C 26 61.467 62.172 -0.705 1
1 204 . 5 1 1 A 26 26 TYR HA H 26 4.248 4.006 0.242 1
1 205 . 5 1 1 A 26 26 TYR CB C 26 37.421 38.671 -1.250 1
1 216 . 5 1 1 A 26 26 TYR C C 26 177.866 177.292 0.574 1
1 217 . 5 1 1 A 27 27 ARG N N 27 118.122 118.814 -0.692 1
1 218 . 5 1 1 A 27 27 ARG H H 27 8.045 8.335 -0.290 1
1 219 . 5 1 1 A 27 27 ARG CA C 27 58.511 59.443 -0.932 1
1 220 . 5 1 1 A 27 27 ARG HA H 27 3.782 4.218 -0.436 1
1 221 . 5 1 1 A 27 27 ARG CB C 27 29.795 30.468 -0.673 1
1 230 . 5 1 1 A 27 27 ARG C C 27 179.215 178.448 0.767 1
1 231 . 5 1 1 A 28 28 LEU N N 28 120.580 121.517 -0.937 1
1 232 . 5 1 1 A 28 28 LEU H H 28 7.278 7.948 -0.670 1
1 233 . 5 1 1 A 28 28 LEU CA C 28 58.166 57.834 0.332 1
1 234 . 5 1 1 A 28 28 LEU HA H 28 3.418 3.344 0.074 1
1 235 . 5 1 1 A 28 28 LEU CB C 28 40.627 41.553 -0.926 1
1 248 . 5 1 1 A 28 28 LEU C C 28 177.435 178.245 -0.810 1
1 249 . 5 1 1 A 29 29 THR N N 29 116.295 114.582 1.713 1
1 250 . 5 1 1 A 29 29 THR H H 29 8.312 8.291 0.021 1
1 251 . 5 1 1 A 29 29 THR CA C 29 66.882 66.582 0.300 1
1 252 . 5 1 1 A 29 29 THR HA H 29 3.772 3.641 0.131 1
1 253 . 5 1 1 A 29 29 THR CB C 29 68.537 68.303 0.234 1
1 259 . 5 1 1 A 29 29 THR C C 29 176.805 176.540 0.265 1
1 260 . 5 1 1 A 30 30 GLN N N 30 118.689 117.973 0.716 1
1 261 . 5 1 1 A 30 30 GLN H H 30 7.785 7.879 -0.094 1
1 262 . 5 1 1 A 30 30 GLN CA C 30 58.073 59.241 -1.168 1
1 263 . 5 1 1 A 30 30 GLN HA H 30 3.872 3.916 -0.044 1
1 264 . 5 1 1 A 30 30 GLN CB C 30 28.779 28.328 0.451 1
1 273 . 5 1 1 A 30 30 GLN C C 30 178.292 178.530 -0.238 1
1 274 . 5 1 1 A 31 31 HIS N N 31 118.694 120.006 -1.312 1
1 275 . 5 1 1 A 31 31 HIS H H 31 7.558 7.666 -0.108 1
1 276 . 5 1 1 A 31 31 HIS CA C 31 58.746 59.399 -0.653 1
1 277 . 5 1 1 A 31 31 HIS HA H 31 4.210 4.317 -0.107 1
1 278 . 5 1 1 A 31 31 HIS CB C 31 27.916 29.794 -1.878 1
1 285 . 5 1 1 A 31 31 HIS C C 31 177.522 176.938 0.584 1
1 286 . 5 1 1 A 32 32 TRP N N 32 122.468 118.326 4.142 1
1 287 . 5 1 1 A 32 32 TRP H H 32 8.802 8.611 0.191 1
1 288 . 5 1 1 A 32 32 TRP CA C 32 61.090 59.993 1.097 1
1 289 . 5 1 1 A 32 32 TRP HA H 32 4.042 4.043 -0.001 1
1 290 . 5 1 1 A 32 32 TRP CB C 32 29.312 29.377 -0.065 1
1 305 . 5 1 1 A 32 32 TRP C C 32 177.947 178.636 -0.689 1
1 306 . 5 1 1 A 33 33 ILE N N 33 116.053 120.284 -4.231 1
1 307 . 5 1 1 A 33 33 ILE H H 33 7.288 8.157 -0.869 1
1 308 . 5 1 1 A 33 33 ILE CA C 33 63.891 65.375 -1.484 1
1 309 . 5 1 1 A 33 33 ILE HA H 33 3.827 3.724 0.103 1
1 310 . 5 1 1 A 33 33 ILE CB C 33 38.065 37.650 0.415 1
1 323 . 5 1 1 A 33 33 ILE C C 33 177.979 178.225 -0.246 1
1 324 . 5 1 1 A 34 34 THR N N 34 111.457 113.234 -1.777 1
1 325 . 5 1 1 A 34 34 THR H H 34 7.640 8.350 -0.710 1
1 326 . 5 1 1 A 34 34 THR CA C 34 64.307 65.302 -0.995 1
1 327 . 5 1 1 A 34 34 THR HA H 34 3.990 3.912 0.078 1
1 328 . 5 1 1 A 34 34 THR CB C 34 69.088 67.595 1.493 1
1 334 . 5 1 1 A 34 34 THR C C 34 175.690 177.232 -1.542 1
1 335 . 5 1 1 A 35 35 HIS N N 35 118.326 119.034 -0.708 1
1 336 . 5 1 1 A 35 35 HIS H H 35 7.247 7.624 -0.377 1
1 337 . 5 1 1 A 35 35 HIS CA C 35 55.628 59.394 -3.766 1
1 338 . 5 1 1 A 35 35 HIS HA H 35 4.735 4.225 0.510 1
1 339 . 5 1 1 A 35 35 HIS CB C 35 28.391 29.605 -1.214 1
1 346 . 5 1 1 A 35 35 HIS C C 35 175.573 177.521 -1.948 1
1 347 . 5 1 1 A 36 36 THR N N 36 113.348 113.624 -0.276 1
1 348 . 5 1 1 A 36 36 THR H H 36 7.747 7.773 -0.026 1
1 349 . 5 1 1 A 36 36 THR CA C 36 62.742 66.487 -3.745 1
1 350 . 5 1 1 A 36 36 THR HA H 36 4.251 3.874 0.377 1
1 351 . 5 1 1 A 36 36 THR CB C 36 69.711 68.674 1.037 1
1 357 . 5 1 1 A 36 36 THR C C 36 174.653 174.895 -0.242 1
1 358 . 5 1 1 A 37 37 ARG N N 37 122.448 116.724 5.724 1
1 359 . 5 1 1 A 37 37 ARG H H 37 8.143 7.681 0.462 1
1 360 . 5 1 1 A 37 37 ARG CA C 37 56.220 54.944 1.276 1
1 361 . 5 1 1 A 37 37 ARG HA H 37 4.335 4.927 -0.592 1
1 362 . 5 1 1 A 37 37 ARG CB C 37 30.719 32.947 -2.228 1
1 371 . 5 1 1 A 37 37 ARG C C 37 176.124 175.246 0.878 1
1 372 . 5 1 1 A 38 38 GLU N N 38 121.219 122.703 -1.484 1
1 373 . 5 1 1 A 38 38 GLU H H 38 8.216 8.955 -0.739 1
1 374 . 5 1 1 A 38 38 GLU CA C 38 56.497 54.876 1.621 1
1 375 . 5 1 1 A 38 38 GLU HA H 38 4.255 5.264 -1.009 1
1 376 . 5 1 1 A 38 38 GLU CB C 38 30.410 33.184 -2.774 1
1 382 . 5 1 1 A 38 38 GLU C C 38 176.132 175.398 0.734 1
1 383 . 5 1 1 A 39 39 LYS N N 39 123.433 120.422 3.011 1
1 384 . 5 1 1 A 39 39 LYS H H 39 8.290 8.974 -0.684 1
1 385 . 5 1 1 A 39 39 LYS CA C 39 54.206 53.932 0.274 1
1 386 . 5 1 1 A 39 39 LYS HA H 39 4.575 4.902 -0.327 1
1 387 . 5 1 1 A 39 39 LYS CB C 39 32.516 35.853 -3.337 1
1 396 . 5 1 1 A 39 39 LYS C C 39 174.396 173.522 0.874 1
1 397 . 5 1 1 A 40 40 PRO CA C 40 63.205 62.950 0.255 1
1 398 . 5 1 1 A 40 40 PRO HA H 40 4.463 4.768 -0.305 1
1 399 . 5 1 1 A 40 40 PRO CB C 40 32.160 31.659 0.501 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.504 57.132 1.372 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.481 5.150 -0.669 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.922 65.905 -1.983 1
1 6 . 6 1 1 A 6 6 SER C C 6 175.079 173.802 1.277 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.906 110.384 0.522 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.456 8.553 -0.097 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.320 45.246 0.074 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 3.980 4.197 -0.217 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 3.980 4.199 -0.219 1
1 12 . 6 1 1 A 7 7 GLY C C 7 174.337 175.016 -0.679 1
1 13 . 6 1 1 A 8 8 GLU N N 8 120.775 123.381 -2.606 1
1 14 . 6 1 1 A 8 8 GLU H H 8 8.343 8.841 -0.498 1
1 15 . 6 1 1 A 8 8 GLU CA C 8 56.857 58.899 -2.042 1
1 16 . 6 1 1 A 8 8 GLU HA H 8 4.297 4.167 0.130 1
1 17 . 6 1 1 A 8 8 GLU CB C 8 30.354 30.293 0.061 1
1 23 . 6 1 1 A 8 8 GLU C C 8 177.082 177.062 0.020 1
1 24 . 6 1 1 A 9 9 GLY N N 9 109.791 104.406 5.385 1
1 25 . 6 1 1 A 9 9 GLY H H 9 8.472 7.770 0.702 1
1 26 . 6 1 1 A 9 9 GLY CA C 9 45.201 45.019 0.182 1
1 27 . 6 1 1 A 9 9 GLY HA2 H 9 3.962 4.117 -0.155 1
1 28 . 6 1 1 A 9 9 GLY HA3 H 9 3.962 4.119 -0.157 1
1 29 . 6 1 1 A 9 9 GLY C C 9 173.936 172.536 1.400 1
1 30 . 6 1 1 A 10 10 GLU N N 10 120.213 116.650 3.563 1
1 31 . 6 1 1 A 10 10 GLU H H 10 8.203 8.556 -0.353 1
1 32 . 6 1 1 A 10 10 GLU CA C 10 56.464 55.516 0.948 1
1 33 . 6 1 1 A 10 10 GLU HA H 10 4.280 5.002 -0.722 1
1 34 . 6 1 1 A 10 10 GLU CB C 10 30.387 31.662 -1.275 1
1 40 . 6 1 1 A 10 10 GLU C C 10 176.324 176.413 -0.089 1
1 41 . 6 1 1 A 11 11 LYS N N 11 123.251 122.736 0.515 1
1 42 . 6 1 1 A 11 11 LYS H H 11 8.292 8.576 -0.284 1
1 43 . 6 1 1 A 11 11 LYS CA C 11 54.057 55.001 -0.944 1
1 44 . 6 1 1 A 11 11 LYS HA H 11 4.538 4.275 0.263 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 32.749 31.784 0.965 1
1 57 . 6 1 1 A 12 12 PRO CA C 12 63.124 64.514 -1.390 1
1 58 . 6 1 1 A 12 12 PRO HA H 12 4.435 4.425 0.010 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.125 31.732 0.393 1
1 68 . 6 1 1 A 12 12 PRO C C 12 176.448 176.059 0.389 1
1 69 . 6 1 1 A 13 13 TYR N N 13 119.740 117.034 2.706 1
1 70 . 6 1 1 A 13 13 TYR H H 13 8.457 8.054 0.403 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.356 56.562 0.794 1
1 72 . 6 1 1 A 13 13 TYR HA H 13 4.537 4.757 -0.220 1
1 73 . 6 1 1 A 13 13 TYR CB C 13 38.918 36.929 1.989 1
1 84 . 6 1 1 A 13 13 TYR C C 13 174.408 174.728 -0.320 1
1 85 . 6 1 1 A 14 14 GLN N N 14 122.442 123.010 -0.568 1
1 86 . 6 1 1 A 14 14 GLN H H 14 8.482 7.952 0.530 1
1 87 . 6 1 1 A 14 14 GLN CA C 14 54.562 54.125 0.437 1
1 88 . 6 1 1 A 14 14 GLN HA H 14 4.996 4.769 0.227 1
1 89 . 6 1 1 A 14 14 GLN CB C 14 31.639 30.944 0.695 1
1 98 . 6 1 1 A 14 14 GLN C C 14 175.180 175.420 -0.240 1
1 99 . 6 1 1 A 15 15 CYS N N 15 128.228 125.870 2.358 1
1 100 . 6 1 1 A 15 15 CYS H H 15 9.319 9.016 0.303 1
1 101 . 6 1 1 A 15 15 CYS CA C 15 59.809 60.189 -0.380 1
1 102 . 6 1 1 A 15 15 CYS HA H 15 4.710 4.946 -0.236 1
1 103 . 6 1 1 A 15 15 CYS CB C 15 30.177 28.961 1.216 1
1 106 . 6 1 1 A 15 15 CYS C C 15 177.750 176.673 1.077 1
1 107 . 6 1 1 A 16 16 SER N N 16 128.171 122.219 5.952 1
1 108 . 6 1 1 A 16 16 SER H H 16 9.434 9.206 0.228 1
1 109 . 6 1 1 A 16 16 SER CA C 16 60.913 58.843 2.070 1
1 110 . 6 1 1 A 16 16 SER HA H 16 4.299 4.397 -0.098 1
1 111 . 6 1 1 A 16 16 SER CB C 16 63.126 62.717 0.409 1
1 114 . 6 1 1 A 16 16 SER C C 16 174.606 173.388 1.218 1
1 115 . 6 1 1 A 17 17 GLU N N 17 124.574 118.655 5.919 1
1 116 . 6 1 1 A 17 17 GLU H H 17 9.028 7.806 1.222 1
1 117 . 6 1 1 A 17 17 GLU CA C 17 57.949 56.840 1.109 1
1 118 . 6 1 1 A 17 17 GLU HA H 17 4.338 4.200 0.138 1
1 119 . 6 1 1 A 17 17 GLU CB C 17 29.942 31.136 -1.194 1
1 125 . 6 1 1 A 17 17 GLU C C 17 177.060 177.454 -0.394 1
1 126 . 6 1 1 A 18 18 CYS N N 18 114.918 114.638 0.280 1
1 127 . 6 1 1 A 18 18 CYS H H 18 8.089 7.993 0.096 1
1 128 . 6 1 1 A 18 18 CYS CA C 18 58.331 59.740 -1.409 1
1 129 . 6 1 1 A 18 18 CYS HA H 18 5.177 4.561 0.616 1
1 130 . 6 1 1 A 18 18 CYS CB C 18 32.407 29.334 3.073 1
1 133 . 6 1 1 A 18 18 CYS C C 18 176.482 175.179 1.303 1
1 134 . 6 1 1 A 19 19 GLY N N 19 113.022 109.321 3.701 1
1 135 . 6 1 1 A 19 19 GLY H H 19 8.104 8.061 0.043 1
1 136 . 6 1 1 A 19 19 GLY CA C 19 46.298 45.534 0.764 1
1 137 . 6 1 1 A 19 19 GLY HA2 H 19 3.856 4.014 -0.158 1
1 138 . 6 1 1 A 19 19 GLY HA3 H 19 4.240 4.024 0.216 1
1 139 . 6 1 1 A 19 19 GLY C C 19 173.951 173.519 0.432 1
1 140 . 6 1 1 A 20 20 LYS N N 20 122.753 115.320 7.433 1
1 141 . 6 1 1 A 20 20 LYS H H 20 7.932 7.453 0.479 1
1 142 . 6 1 1 A 20 20 LYS CA C 20 57.933 54.322 3.611 1
1 143 . 6 1 1 A 20 20 LYS HA H 20 4.092 4.853 -0.761 1
1 144 . 6 1 1 A 20 20 LYS CB C 20 33.918 35.922 -2.004 1
1 156 . 6 1 1 A 20 20 LYS C C 20 174.553 174.061 0.492 1
1 157 . 6 1 1 A 21 21 SER N N 21 115.470 115.586 -0.116 1
1 158 . 6 1 1 A 21 21 SER H H 21 7.982 8.654 -0.672 1
1 159 . 6 1 1 A 21 21 SER CA C 21 57.450 55.914 1.536 1
1 160 . 6 1 1 A 21 21 SER HA H 21 5.207 5.241 -0.034 1
1 161 . 6 1 1 A 21 21 SER CB C 21 65.453 66.269 -0.816 1
1 164 . 6 1 1 A 21 21 SER C C 21 173.111 172.812 0.299 1
1 165 . 6 1 1 A 22 22 PHE N N 22 119.199 123.089 -3.890 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.655 8.383 0.272 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.484 56.372 1.112 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.682 5.085 -0.403 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 44.042 43.787 0.255 1
1 182 . 6 1 1 A 22 22 PHE C C 22 175.277 174.828 0.449 1
1 183 . 6 1 1 A 23 23 SER CA C 23 58.896 57.312 1.584 1
1 184 . 6 1 1 A 23 23 SER HA H 23 4.571 4.871 -0.300 1
1 185 . 6 1 1 A 23 23 SER CB C 23 63.524 62.235 1.289 1
1 188 . 6 1 1 A 23 23 SER C C 23 174.297 173.949 0.348 1
1 189 . 6 1 1 A 24 24 GLY N N 24 109.456 114.585 -5.129 1
1 190 . 6 1 1 A 24 24 GLY H H 24 7.551 7.849 -0.298 1
1 191 . 6 1 1 A 24 24 GLY CA C 24 44.838 44.734 0.104 1
1 192 . 6 1 1 A 24 24 GLY HA2 H 24 4.047 3.895 0.152 1
1 193 . 6 1 1 A 24 24 GLY HA3 H 24 3.727 4.100 -0.373 1
1 194 . 6 1 1 A 24 24 GLY C C 24 172.500 173.955 -1.455 1
1 195 . 6 1 1 A 25 25 SER N N 25 115.599 115.501 0.098 1
1 196 . 6 1 1 A 25 25 SER H H 25 8.260 8.691 -0.431 1
1 197 . 6 1 1 A 25 25 SER CA C 25 60.846 61.307 -0.461 1
1 198 . 6 1 1 A 25 25 SER HA H 25 3.496 4.462 -0.966 1
1 199 . 6 1 1 A 25 25 SER CB C 25 62.665 63.014 -0.349 1
1 202 . 6 1 1 A 25 25 SER C C 25 176.919 176.077 0.842 1
1 203 . 6 1 1 A 26 26 TYR CA C 26 61.467 62.208 -0.741 1
1 204 . 6 1 1 A 26 26 TYR HA H 26 4.248 4.041 0.207 1
1 205 . 6 1 1 A 26 26 TYR CB C 26 37.421 38.713 -1.292 1
1 216 . 6 1 1 A 26 26 TYR C C 26 177.866 177.194 0.672 1
1 217 . 6 1 1 A 27 27 ARG N N 27 118.122 118.181 -0.059 1
1 218 . 6 1 1 A 27 27 ARG H H 27 8.045 8.288 -0.243 1
1 219 . 6 1 1 A 27 27 ARG CA C 27 58.511 59.325 -0.814 1
1 220 . 6 1 1 A 27 27 ARG HA H 27 3.782 3.862 -0.080 1
1 221 . 6 1 1 A 27 27 ARG CB C 27 29.795 29.777 0.018 1
1 230 . 6 1 1 A 27 27 ARG C C 27 179.215 178.223 0.992 1
1 231 . 6 1 1 A 28 28 LEU N N 28 120.580 120.575 0.005 1
1 232 . 6 1 1 A 28 28 LEU H H 28 7.278 7.752 -0.474 1
1 233 . 6 1 1 A 28 28 LEU CA C 28 58.166 58.780 -0.614 1
1 234 . 6 1 1 A 28 28 LEU HA H 28 3.418 4.386 -0.968 1
1 235 . 6 1 1 A 28 28 LEU CB C 28 40.627 42.244 -1.617 1
1 248 . 6 1 1 A 28 28 LEU C C 28 177.435 178.292 -0.857 1
1 249 . 6 1 1 A 29 29 THR N N 29 116.295 112.453 3.842 1
1 250 . 6 1 1 A 29 29 THR H H 29 8.312 8.196 0.116 1
1 251 . 6 1 1 A 29 29 THR CA C 29 66.882 65.496 1.386 1
1 252 . 6 1 1 A 29 29 THR HA H 29 3.772 3.873 -0.101 1
1 253 . 6 1 1 A 29 29 THR CB C 29 68.537 68.106 0.431 1
1 259 . 6 1 1 A 29 29 THR C C 29 176.805 176.982 -0.177 1
1 260 . 6 1 1 A 30 30 GLN N N 30 118.689 121.583 -2.894 1
1 261 . 6 1 1 A 30 30 GLN H H 30 7.785 8.175 -0.390 1
1 262 . 6 1 1 A 30 30 GLN CA C 30 58.073 59.023 -0.950 1
1 263 . 6 1 1 A 30 30 GLN HA H 30 3.872 3.782 0.090 1
1 264 . 6 1 1 A 30 30 GLN CB C 30 28.779 27.980 0.799 1
1 273 . 6 1 1 A 30 30 GLN C C 30 178.292 178.526 -0.234 1
1 274 . 6 1 1 A 31 31 HIS N N 31 118.694 119.186 -0.492 1
1 275 . 6 1 1 A 31 31 HIS H H 31 7.558 7.760 -0.202 1
1 276 . 6 1 1 A 31 31 HIS CA C 31 58.746 59.016 -0.270 1
1 277 . 6 1 1 A 31 31 HIS HA H 31 4.210 4.310 -0.100 1
1 278 . 6 1 1 A 31 31 HIS CB C 31 27.916 30.241 -2.325 1
1 285 . 6 1 1 A 31 31 HIS C C 31 177.522 176.875 0.647 1
1 286 . 6 1 1 A 32 32 TRP N N 32 122.468 118.370 4.098 1
1 287 . 6 1 1 A 32 32 TRP H H 32 8.802 8.846 -0.044 1
1 288 . 6 1 1 A 32 32 TRP CA C 32 61.090 59.866 1.224 1
1 289 . 6 1 1 A 32 32 TRP HA H 32 4.042 4.325 -0.283 1
1 290 . 6 1 1 A 32 32 TRP CB C 32 29.312 29.398 -0.086 1
1 305 . 6 1 1 A 32 32 TRP C C 32 177.947 178.894 -0.947 1
1 306 . 6 1 1 A 33 33 ILE N N 33 116.053 120.931 -4.878 1
1 307 . 6 1 1 A 33 33 ILE H H 33 7.288 7.927 -0.639 1
1 308 . 6 1 1 A 33 33 ILE CA C 33 63.891 64.926 -1.035 1
1 309 . 6 1 1 A 33 33 ILE HA H 33 3.827 3.596 0.231 1
1 310 . 6 1 1 A 33 33 ILE CB C 33 38.065 38.089 -0.024 1
1 323 . 6 1 1 A 33 33 ILE C C 33 177.979 177.829 0.150 1
1 324 . 6 1 1 A 34 34 THR N N 34 111.457 113.935 -2.478 1
1 325 . 6 1 1 A 34 34 THR H H 34 7.640 8.355 -0.715 1
1 326 . 6 1 1 A 34 34 THR CA C 34 64.307 64.995 -0.688 1
1 327 . 6 1 1 A 34 34 THR HA H 34 3.990 3.862 0.128 1
1 328 . 6 1 1 A 34 34 THR CB C 34 69.088 68.675 0.413 1
1 334 . 6 1 1 A 34 34 THR C C 34 175.690 176.273 -0.583 1
1 335 . 6 1 1 A 35 35 HIS N N 35 118.326 117.606 0.720 1
1 336 . 6 1 1 A 35 35 HIS H H 35 7.247 7.477 -0.230 1
1 337 . 6 1 1 A 35 35 HIS CA C 35 55.628 59.144 -3.516 1
1 338 . 6 1 1 A 35 35 HIS HA H 35 4.735 4.263 0.472 1
1 339 . 6 1 1 A 35 35 HIS CB C 35 28.391 30.925 -2.534 1
1 346 . 6 1 1 A 35 35 HIS C C 35 175.573 176.298 -0.725 1
1 347 . 6 1 1 A 36 36 THR N N 36 113.348 112.344 1.004 1
1 348 . 6 1 1 A 36 36 THR H H 36 7.747 7.575 0.172 1
1 349 . 6 1 1 A 36 36 THR CA C 36 62.742 62.811 -0.069 1
1 350 . 6 1 1 A 36 36 THR HA H 36 4.251 4.334 -0.083 1
1 351 . 6 1 1 A 36 36 THR CB C 36 69.711 69.340 0.371 1
1 357 . 6 1 1 A 36 36 THR C C 36 174.653 174.095 0.558 1
1 358 . 6 1 1 A 37 37 ARG N N 37 122.448 122.472 -0.024 1
1 359 . 6 1 1 A 37 37 ARG H H 37 8.143 7.660 0.483 1
1 360 . 6 1 1 A 37 37 ARG CA C 37 56.220 54.217 2.003 1
1 361 . 6 1 1 A 37 37 ARG HA H 37 4.335 4.674 -0.339 1
1 362 . 6 1 1 A 37 37 ARG CB C 37 30.719 32.036 -1.317 1
1 371 . 6 1 1 A 37 37 ARG C C 37 176.124 175.382 0.742 1
1 372 . 6 1 1 A 38 38 GLU N N 38 121.219 125.641 -4.422 1
1 373 . 6 1 1 A 38 38 GLU H H 38 8.216 8.762 -0.546 1
1 374 . 6 1 1 A 38 38 GLU CA C 38 56.497 57.170 -0.673 1
1 375 . 6 1 1 A 38 38 GLU HA H 38 4.255 4.265 -0.010 1
1 376 . 6 1 1 A 38 38 GLU CB C 38 30.410 30.555 -0.145 1
1 382 . 6 1 1 A 38 38 GLU C C 38 176.132 175.855 0.277 1
1 383 . 6 1 1 A 39 39 LYS N N 39 123.433 122.314 1.119 1
1 384 . 6 1 1 A 39 39 LYS H H 39 8.290 8.915 -0.625 1
1 385 . 6 1 1 A 39 39 LYS CA C 39 54.206 53.807 0.399 1
1 386 . 6 1 1 A 39 39 LYS HA H 39 4.575 4.975 -0.400 1
1 387 . 6 1 1 A 39 39 LYS CB C 39 32.516 35.836 -3.320 1
1 396 . 6 1 1 A 39 39 LYS C C 39 174.396 173.499 0.897 1
1 397 . 6 1 1 A 40 40 PRO CA C 40 63.205 62.875 0.330 1
1 398 . 6 1 1 A 40 40 PRO HA H 40 4.463 4.416 0.047 1
1 399 . 6 1 1 A 40 40 PRO CB C 40 32.160 31.930 0.230 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.504 57.856 0.648 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.481 5.072 -0.591 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.922 66.782 -2.860 1
1 6 . 7 1 1 A 6 6 SER C C 6 175.079 173.042 2.037 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.906 113.949 -3.043 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.456 8.574 -0.118 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.320 45.942 -0.622 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 3.980 4.218 -0.238 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 3.980 4.218 -0.238 1
1 12 . 7 1 1 A 7 7 GLY C C 7 174.337 173.598 0.739 1
1 13 . 7 1 1 A 8 8 GLU N N 8 120.775 121.350 -0.575 1
1 14 . 7 1 1 A 8 8 GLU H H 8 8.343 8.326 0.017 1
1 15 . 7 1 1 A 8 8 GLU CA C 8 56.857 56.194 0.663 1
1 16 . 7 1 1 A 8 8 GLU HA H 8 4.297 4.692 -0.395 1
1 17 . 7 1 1 A 8 8 GLU CB C 8 30.354 28.580 1.774 1
1 23 . 7 1 1 A 8 8 GLU C C 8 177.082 176.791 0.291 1
1 24 . 7 1 1 A 9 9 GLY N N 9 109.791 112.211 -2.420 1
1 25 . 7 1 1 A 9 9 GLY H H 9 8.472 8.093 0.379 1
1 26 . 7 1 1 A 9 9 GLY CA C 9 45.201 45.736 -0.535 1
1 27 . 7 1 1 A 9 9 GLY HA2 H 9 3.962 4.116 -0.154 1
1 28 . 7 1 1 A 9 9 GLY HA3 H 9 3.962 4.117 -0.155 1
1 29 . 7 1 1 A 9 9 GLY C C 9 173.936 173.527 0.409 1
1 30 . 7 1 1 A 10 10 GLU N N 10 120.213 119.892 0.321 1
1 31 . 7 1 1 A 10 10 GLU H H 10 8.203 8.224 -0.021 1
1 32 . 7 1 1 A 10 10 GLU CA C 10 56.464 55.235 1.229 1
1 33 . 7 1 1 A 10 10 GLU HA H 10 4.280 4.665 -0.385 1
1 34 . 7 1 1 A 10 10 GLU CB C 10 30.387 32.265 -1.878 1
1 40 . 7 1 1 A 10 10 GLU C C 10 176.324 176.459 -0.135 1
1 41 . 7 1 1 A 11 11 LYS N N 11 123.251 123.099 0.152 1
1 42 . 7 1 1 A 11 11 LYS H H 11 8.292 8.744 -0.452 1
1 43 . 7 1 1 A 11 11 LYS CA C 11 54.057 54.488 -0.431 1
1 44 . 7 1 1 A 11 11 LYS HA H 11 4.538 4.452 0.086 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 32.749 31.773 0.976 1
1 57 . 7 1 1 A 12 12 PRO CA C 12 63.124 64.094 -0.970 1
1 58 . 7 1 1 A 12 12 PRO HA H 12 4.435 4.442 -0.007 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.125 31.569 0.556 1
1 68 . 7 1 1 A 12 12 PRO C C 12 176.448 175.618 0.830 1
1 69 . 7 1 1 A 13 13 TYR N N 13 119.740 119.248 0.492 1
1 70 . 7 1 1 A 13 13 TYR H H 13 8.457 7.821 0.636 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.356 56.435 0.921 1
1 72 . 7 1 1 A 13 13 TYR HA H 13 4.537 4.925 -0.388 1
1 73 . 7 1 1 A 13 13 TYR CB C 13 38.918 38.104 0.814 1
1 84 . 7 1 1 A 13 13 TYR C C 13 174.408 174.123 0.285 1
1 85 . 7 1 1 A 14 14 GLN N N 14 122.442 125.330 -2.888 1
1 86 . 7 1 1 A 14 14 GLN H H 14 8.482 8.910 -0.428 1
1 87 . 7 1 1 A 14 14 GLN CA C 14 54.562 54.248 0.314 1
1 88 . 7 1 1 A 14 14 GLN HA H 14 4.996 5.104 -0.108 1
1 89 . 7 1 1 A 14 14 GLN CB C 14 31.639 31.042 0.597 1
1 98 . 7 1 1 A 14 14 GLN C C 14 175.180 175.251 -0.071 1
1 99 . 7 1 1 A 15 15 CYS N N 15 128.228 126.633 1.595 1
1 100 . 7 1 1 A 15 15 CYS H H 15 9.319 9.219 0.100 1
1 101 . 7 1 1 A 15 15 CYS CA C 15 59.809 60.237 -0.428 1
1 102 . 7 1 1 A 15 15 CYS HA H 15 4.710 4.867 -0.157 1
1 103 . 7 1 1 A 15 15 CYS CB C 15 30.177 29.093 1.084 1
1 106 . 7 1 1 A 15 15 CYS C C 15 177.750 175.987 1.763 1
1 107 . 7 1 1 A 16 16 SER N N 16 128.171 123.447 4.724 1
1 108 . 7 1 1 A 16 16 SER H H 16 9.434 9.301 0.133 1
1 109 . 7 1 1 A 16 16 SER CA C 16 60.913 57.946 2.967 1
1 110 . 7 1 1 A 16 16 SER HA H 16 4.299 4.600 -0.301 1
1 111 . 7 1 1 A 16 16 SER CB C 16 63.126 61.942 1.184 1
1 114 . 7 1 1 A 16 16 SER C C 16 174.606 174.985 -0.379 1
1 115 . 7 1 1 A 17 17 GLU N N 17 124.574 121.802 2.772 1
1 116 . 7 1 1 A 17 17 GLU H H 17 9.028 7.724 1.304 1
1 117 . 7 1 1 A 17 17 GLU CA C 17 57.949 56.659 1.290 1
1 118 . 7 1 1 A 17 17 GLU HA H 17 4.338 4.245 0.093 1
1 119 . 7 1 1 A 17 17 GLU CB C 17 29.942 31.737 -1.795 1
1 125 . 7 1 1 A 17 17 GLU C C 17 177.060 177.345 -0.285 1
1 126 . 7 1 1 A 18 18 CYS N N 18 114.918 114.866 0.052 1
1 127 . 7 1 1 A 18 18 CYS H H 18 8.089 7.873 0.216 1
1 128 . 7 1 1 A 18 18 CYS CA C 18 58.331 59.322 -0.991 1
1 129 . 7 1 1 A 18 18 CYS HA H 18 5.177 4.587 0.590 1
1 130 . 7 1 1 A 18 18 CYS CB C 18 32.407 30.050 2.357 1
1 133 . 7 1 1 A 18 18 CYS C C 18 176.482 175.505 0.977 1
1 134 . 7 1 1 A 19 19 GLY N N 19 113.022 109.804 3.218 1
1 135 . 7 1 1 A 19 19 GLY H H 19 8.104 8.293 -0.189 1
1 136 . 7 1 1 A 19 19 GLY CA C 19 46.298 45.750 0.548 1
1 137 . 7 1 1 A 19 19 GLY HA2 H 19 3.856 4.068 -0.212 1
1 138 . 7 1 1 A 19 19 GLY HA3 H 19 4.240 4.086 0.154 1
1 139 . 7 1 1 A 19 19 GLY C C 19 173.951 174.066 -0.115 1
1 140 . 7 1 1 A 20 20 LYS N N 20 122.753 119.860 2.893 1
1 141 . 7 1 1 A 20 20 LYS H H 20 7.932 7.991 -0.059 1
1 142 . 7 1 1 A 20 20 LYS CA C 20 57.933 54.456 3.477 1
1 143 . 7 1 1 A 20 20 LYS HA H 20 4.092 4.748 -0.656 1
1 144 . 7 1 1 A 20 20 LYS CB C 20 33.918 35.800 -1.882 1
1 156 . 7 1 1 A 20 20 LYS C C 20 174.553 174.926 -0.373 1
1 157 . 7 1 1 A 21 21 SER N N 21 115.470 120.360 -4.890 1
1 158 . 7 1 1 A 21 21 SER H H 21 7.982 8.731 -0.749 1
1 159 . 7 1 1 A 21 21 SER CA C 21 57.450 57.233 0.217 1
1 160 . 7 1 1 A 21 21 SER HA H 21 5.207 5.497 -0.290 1
1 161 . 7 1 1 A 21 21 SER CB C 21 65.453 64.521 0.932 1
1 164 . 7 1 1 A 21 21 SER C C 21 173.111 173.584 -0.473 1
1 165 . 7 1 1 A 22 22 PHE N N 22 119.199 124.539 -5.340 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.655 8.924 -0.269 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.484 56.698 0.786 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.682 4.966 -0.284 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 44.042 42.657 1.385 1
1 182 . 7 1 1 A 22 22 PHE C C 22 175.277 174.905 0.372 1
1 183 . 7 1 1 A 23 23 SER CA C 23 58.896 57.665 1.231 1
1 184 . 7 1 1 A 23 23 SER HA H 23 4.571 4.509 0.062 1
1 185 . 7 1 1 A 23 23 SER CB C 23 63.524 62.376 1.148 1
1 188 . 7 1 1 A 23 23 SER C C 23 174.297 174.003 0.294 1
1 189 . 7 1 1 A 24 24 GLY N N 24 109.456 109.232 0.224 1
1 190 . 7 1 1 A 24 24 GLY H H 24 7.551 7.590 -0.039 1
1 191 . 7 1 1 A 24 24 GLY CA C 24 44.838 45.710 -0.872 1
1 192 . 7 1 1 A 24 24 GLY HA2 H 24 4.047 3.817 0.230 1
1 193 . 7 1 1 A 24 24 GLY HA3 H 24 3.727 4.036 -0.309 1
1 194 . 7 1 1 A 24 24 GLY C C 24 172.500 173.671 -1.171 1
1 195 . 7 1 1 A 25 25 SER N N 25 115.599 115.349 0.250 1
1 196 . 7 1 1 A 25 25 SER H H 25 8.260 8.721 -0.461 1
1 197 . 7 1 1 A 25 25 SER CA C 25 60.846 61.180 -0.334 1
1 198 . 7 1 1 A 25 25 SER HA H 25 3.496 4.264 -0.768 1
1 199 . 7 1 1 A 25 25 SER CB C 25 62.665 63.193 -0.528 1
1 202 . 7 1 1 A 25 25 SER C C 25 176.919 175.735 1.184 1
1 203 . 7 1 1 A 26 26 TYR CA C 26 61.467 61.679 -0.212 1
1 204 . 7 1 1 A 26 26 TYR HA H 26 4.248 4.013 0.235 1
1 205 . 7 1 1 A 26 26 TYR CB C 26 37.421 38.632 -1.211 1
1 216 . 7 1 1 A 26 26 TYR C C 26 177.866 177.404 0.462 1
1 217 . 7 1 1 A 27 27 ARG N N 27 118.122 119.200 -1.078 1
1 218 . 7 1 1 A 27 27 ARG H H 27 8.045 8.162 -0.117 1
1 219 . 7 1 1 A 27 27 ARG CA C 27 58.511 59.289 -0.778 1
1 220 . 7 1 1 A 27 27 ARG HA H 27 3.782 4.087 -0.305 1
1 221 . 7 1 1 A 27 27 ARG CB C 27 29.795 30.056 -0.261 1
1 230 . 7 1 1 A 27 27 ARG C C 27 179.215 178.278 0.937 1
1 231 . 7 1 1 A 28 28 LEU N N 28 120.580 120.459 0.121 1
1 232 . 7 1 1 A 28 28 LEU H H 28 7.278 7.923 -0.645 1
1 233 . 7 1 1 A 28 28 LEU CA C 28 58.166 58.116 0.050 1
1 234 . 7 1 1 A 28 28 LEU HA H 28 3.418 3.596 -0.178 1
1 235 . 7 1 1 A 28 28 LEU CB C 28 40.627 41.737 -1.110 1
1 248 . 7 1 1 A 28 28 LEU C C 28 177.435 178.357 -0.922 1
1 249 . 7 1 1 A 29 29 THR N N 29 116.295 113.979 2.316 1
1 250 . 7 1 1 A 29 29 THR H H 29 8.312 7.700 0.612 1
1 251 . 7 1 1 A 29 29 THR CA C 29 66.882 66.619 0.263 1
1 252 . 7 1 1 A 29 29 THR HA H 29 3.772 3.628 0.144 1
1 253 . 7 1 1 A 29 29 THR CB C 29 68.537 68.204 0.333 1
1 259 . 7 1 1 A 29 29 THR C C 29 176.805 176.258 0.547 1
1 260 . 7 1 1 A 30 30 GLN N N 30 118.689 120.421 -1.732 1
1 261 . 7 1 1 A 30 30 GLN H H 30 7.785 7.772 0.013 1
1 262 . 7 1 1 A 30 30 GLN CA C 30 58.073 58.887 -0.814 1
1 263 . 7 1 1 A 30 30 GLN HA H 30 3.872 3.860 0.012 1
1 264 . 7 1 1 A 30 30 GLN CB C 30 28.779 28.263 0.516 1
1 273 . 7 1 1 A 30 30 GLN C C 30 178.292 178.244 0.048 1
1 274 . 7 1 1 A 31 31 HIS N N 31 118.694 120.133 -1.439 1
1 275 . 7 1 1 A 31 31 HIS H H 31 7.558 7.873 -0.315 1
1 276 . 7 1 1 A 31 31 HIS CA C 31 58.746 59.168 -0.422 1
1 277 . 7 1 1 A 31 31 HIS HA H 31 4.210 4.215 -0.005 1
1 278 . 7 1 1 A 31 31 HIS CB C 31 27.916 29.730 -1.814 1
1 285 . 7 1 1 A 31 31 HIS C C 31 177.522 177.268 0.254 1
1 286 . 7 1 1 A 32 32 TRP N N 32 122.468 118.424 4.044 1
1 287 . 7 1 1 A 32 32 TRP H H 32 8.802 8.590 0.212 1
1 288 . 7 1 1 A 32 32 TRP CA C 32 61.090 59.723 1.367 1
1 289 . 7 1 1 A 32 32 TRP HA H 32 4.042 3.968 0.074 1
1 290 . 7 1 1 A 32 32 TRP CB C 32 29.312 29.268 0.044 1
1 305 . 7 1 1 A 32 32 TRP C C 32 177.947 178.612 -0.665 1
1 306 . 7 1 1 A 33 33 ILE N N 33 116.053 120.262 -4.209 1
1 307 . 7 1 1 A 33 33 ILE H H 33 7.288 7.863 -0.575 1
1 308 . 7 1 1 A 33 33 ILE CA C 33 63.891 65.458 -1.567 1
1 309 . 7 1 1 A 33 33 ILE HA H 33 3.827 3.642 0.185 1
1 310 . 7 1 1 A 33 33 ILE CB C 33 38.065 37.722 0.343 1
1 323 . 7 1 1 A 33 33 ILE C C 33 177.979 178.294 -0.315 1
1 324 . 7 1 1 A 34 34 THR N N 34 111.457 113.631 -2.174 1
1 325 . 7 1 1 A 34 34 THR H H 34 7.640 8.302 -0.662 1
1 326 . 7 1 1 A 34 34 THR CA C 34 64.307 65.614 -1.307 1
1 327 . 7 1 1 A 34 34 THR HA H 34 3.990 3.938 0.052 1
1 328 . 7 1 1 A 34 34 THR CB C 34 69.088 68.073 1.015 1
1 334 . 7 1 1 A 34 34 THR C C 34 175.690 177.073 -1.383 1
1 335 . 7 1 1 A 35 35 HIS N N 35 118.326 119.696 -1.370 1
1 336 . 7 1 1 A 35 35 HIS H H 35 7.247 7.583 -0.336 1
1 337 . 7 1 1 A 35 35 HIS CA C 35 55.628 59.426 -3.798 1
1 338 . 7 1 1 A 35 35 HIS HA H 35 4.735 4.212 0.523 1
1 339 . 7 1 1 A 35 35 HIS CB C 35 28.391 30.118 -1.727 1
1 346 . 7 1 1 A 35 35 HIS C C 35 175.573 177.496 -1.923 1
1 347 . 7 1 1 A 36 36 THR N N 36 113.348 115.196 -1.848 1
1 348 . 7 1 1 A 36 36 THR H H 36 7.747 7.703 0.044 1
1 349 . 7 1 1 A 36 36 THR CA C 36 62.742 67.638 -4.896 1
1 350 . 7 1 1 A 36 36 THR HA H 36 4.251 3.944 0.307 1
1 351 . 7 1 1 A 36 36 THR CB C 36 69.711 68.194 1.517 1
1 357 . 7 1 1 A 36 36 THR C C 36 174.653 175.262 -0.609 1
1 358 . 7 1 1 A 37 37 ARG N N 37 122.448 119.161 3.287 1
1 359 . 7 1 1 A 37 37 ARG H H 37 8.143 8.184 -0.041 1
1 360 . 7 1 1 A 37 37 ARG CA C 37 56.220 56.254 -0.034 1
1 361 . 7 1 1 A 37 37 ARG HA H 37 4.335 4.478 -0.143 1
1 362 . 7 1 1 A 37 37 ARG CB C 37 30.719 31.698 -0.979 1
1 371 . 7 1 1 A 37 37 ARG C C 37 176.124 175.446 0.678 1
1 372 . 7 1 1 A 38 38 GLU N N 38 121.219 119.145 2.074 1
1 373 . 7 1 1 A 38 38 GLU H H 38 8.216 8.730 -0.514 1
1 374 . 7 1 1 A 38 38 GLU CA C 38 56.497 54.803 1.694 1
1 375 . 7 1 1 A 38 38 GLU HA H 38 4.255 5.055 -0.800 1
1 376 . 7 1 1 A 38 38 GLU CB C 38 30.410 33.916 -3.506 1
1 382 . 7 1 1 A 38 38 GLU C C 38 176.132 175.660 0.472 1
1 383 . 7 1 1 A 39 39 LYS N N 39 123.433 122.304 1.129 1
1 384 . 7 1 1 A 39 39 LYS H H 39 8.290 8.483 -0.193 1
1 385 . 7 1 1 A 39 39 LYS CA C 39 54.206 54.029 0.177 1
1 386 . 7 1 1 A 39 39 LYS HA H 39 4.575 4.645 -0.070 1
1 387 . 7 1 1 A 39 39 LYS CB C 39 32.516 31.893 0.623 1
1 396 . 7 1 1 A 39 39 LYS C C 39 174.396 174.674 -0.278 1
1 397 . 7 1 1 A 40 40 PRO CA C 40 63.205 62.750 0.455 1
1 398 . 7 1 1 A 40 40 PRO HA H 40 4.463 4.655 -0.192 1
1 399 . 7 1 1 A 40 40 PRO CB C 40 32.160 32.002 0.158 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.504 62.055 -3.551 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.481 4.541 -0.060 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.922 64.097 -0.175 1
1 6 . 8 1 1 A 6 6 SER C C 6 175.079 176.676 -1.597 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.906 109.642 1.264 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.456 8.143 0.313 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.320 46.462 -1.142 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 3.980 3.707 0.273 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 3.980 3.709 0.271 1
1 12 . 8 1 1 A 7 7 GLY C C 7 174.337 175.192 -0.855 1
1 13 . 8 1 1 A 8 8 GLU N N 8 120.775 122.078 -1.303 1
1 14 . 8 1 1 A 8 8 GLU H H 8 8.343 8.014 0.329 1
1 15 . 8 1 1 A 8 8 GLU CA C 8 56.857 57.626 -0.769 1
1 16 . 8 1 1 A 8 8 GLU HA H 8 4.297 4.215 0.082 1
1 17 . 8 1 1 A 8 8 GLU CB C 8 30.354 30.256 0.098 1
1 23 . 8 1 1 A 8 8 GLU C C 8 177.082 176.766 0.316 1
1 24 . 8 1 1 A 9 9 GLY N N 9 109.791 111.090 -1.299 1
1 25 . 8 1 1 A 9 9 GLY H H 9 8.472 8.609 -0.137 1
1 26 . 8 1 1 A 9 9 GLY CA C 9 45.201 45.131 0.070 1
1 27 . 8 1 1 A 9 9 GLY HA2 H 9 3.962 4.023 -0.061 1
1 28 . 8 1 1 A 9 9 GLY HA3 H 9 3.962 4.025 -0.063 1
1 29 . 8 1 1 A 9 9 GLY C C 9 173.936 172.331 1.605 1
1 30 . 8 1 1 A 10 10 GLU N N 10 120.213 123.939 -3.726 1
1 31 . 8 1 1 A 10 10 GLU H H 10 8.203 8.780 -0.577 1
1 32 . 8 1 1 A 10 10 GLU CA C 10 56.464 56.531 -0.067 1
1 33 . 8 1 1 A 10 10 GLU HA H 10 4.280 4.593 -0.313 1
1 34 . 8 1 1 A 10 10 GLU CB C 10 30.387 30.283 0.104 1
1 40 . 8 1 1 A 10 10 GLU C C 10 176.324 175.529 0.795 1
1 41 . 8 1 1 A 11 11 LYS N N 11 123.251 126.733 -3.482 1
1 42 . 8 1 1 A 11 11 LYS H H 11 8.292 8.746 -0.454 1
1 43 . 8 1 1 A 11 11 LYS CA C 11 54.057 52.782 1.275 1
1 44 . 8 1 1 A 11 11 LYS HA H 11 4.538 4.759 -0.221 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 32.749 33.590 -0.841 1
1 57 . 8 1 1 A 12 12 PRO CA C 12 63.124 63.862 -0.738 1
1 58 . 8 1 1 A 12 12 PRO HA H 12 4.435 4.321 0.114 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.125 31.097 1.028 1
1 68 . 8 1 1 A 12 12 PRO C C 12 176.448 175.564 0.884 1
1 69 . 8 1 1 A 13 13 TYR N N 13 119.740 118.077 1.663 1
1 70 . 8 1 1 A 13 13 TYR H H 13 8.457 7.815 0.642 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.356 56.267 1.089 1
1 72 . 8 1 1 A 13 13 TYR HA H 13 4.537 4.955 -0.418 1
1 73 . 8 1 1 A 13 13 TYR CB C 13 38.918 37.895 1.023 1
1 84 . 8 1 1 A 13 13 TYR C C 13 174.408 174.379 0.029 1
1 85 . 8 1 1 A 14 14 GLN N N 14 122.442 124.310 -1.868 1
1 86 . 8 1 1 A 14 14 GLN H H 14 8.482 8.527 -0.045 1
1 87 . 8 1 1 A 14 14 GLN CA C 14 54.562 54.304 0.258 1
1 88 . 8 1 1 A 14 14 GLN HA H 14 4.996 5.019 -0.023 1
1 89 . 8 1 1 A 14 14 GLN CB C 14 31.639 30.541 1.098 1
1 98 . 8 1 1 A 14 14 GLN C C 14 175.180 175.526 -0.346 1
1 99 . 8 1 1 A 15 15 CYS N N 15 128.228 125.875 2.353 1
1 100 . 8 1 1 A 15 15 CYS H H 15 9.319 8.754 0.565 1
1 101 . 8 1 1 A 15 15 CYS CA C 15 59.809 60.526 -0.717 1
1 102 . 8 1 1 A 15 15 CYS HA H 15 4.710 4.878 -0.168 1
1 103 . 8 1 1 A 15 15 CYS CB C 15 30.177 29.060 1.117 1
1 106 . 8 1 1 A 15 15 CYS C C 15 177.750 174.788 2.962 1
1 107 . 8 1 1 A 16 16 SER N N 16 128.171 121.608 6.563 1
1 108 . 8 1 1 A 16 16 SER H H 16 9.434 9.059 0.375 1
1 109 . 8 1 1 A 16 16 SER CA C 16 60.913 60.964 -0.051 1
1 110 . 8 1 1 A 16 16 SER HA H 16 4.299 4.360 -0.061 1
1 111 . 8 1 1 A 16 16 SER CB C 16 63.126 63.895 -0.769 1
1 114 . 8 1 1 A 16 16 SER C C 16 174.606 176.383 -1.777 1
1 115 . 8 1 1 A 17 17 GLU N N 17 124.574 120.610 3.964 1
1 116 . 8 1 1 A 17 17 GLU H H 17 9.028 7.876 1.152 1
1 117 . 8 1 1 A 17 17 GLU CA C 17 57.949 58.878 -0.929 1
1 118 . 8 1 1 A 17 17 GLU HA H 17 4.338 3.721 0.617 1
1 119 . 8 1 1 A 17 17 GLU CB C 17 29.942 28.618 1.324 1
1 125 . 8 1 1 A 17 17 GLU C C 17 177.060 177.700 -0.640 1
1 126 . 8 1 1 A 18 18 CYS N N 18 114.918 114.563 0.355 1
1 127 . 8 1 1 A 18 18 CYS H H 18 8.089 7.687 0.402 1
1 128 . 8 1 1 A 18 18 CYS CA C 18 58.331 59.456 -1.125 1
1 129 . 8 1 1 A 18 18 CYS HA H 18 5.177 4.602 0.575 1
1 130 . 8 1 1 A 18 18 CYS CB C 18 32.407 30.031 2.376 1
1 133 . 8 1 1 A 18 18 CYS C C 18 176.482 175.513 0.969 1
1 134 . 8 1 1 A 19 19 GLY N N 19 113.022 110.463 2.559 1
1 135 . 8 1 1 A 19 19 GLY H H 19 8.104 8.217 -0.113 1
1 136 . 8 1 1 A 19 19 GLY CA C 19 46.298 45.298 1.000 1
1 137 . 8 1 1 A 19 19 GLY HA2 H 19 3.856 4.009 -0.153 1
1 138 . 8 1 1 A 19 19 GLY HA3 H 19 4.240 4.022 0.218 1
1 139 . 8 1 1 A 19 19 GLY C C 19 173.951 174.012 -0.061 1
1 140 . 8 1 1 A 20 20 LYS N N 20 122.753 119.547 3.206 1
1 141 . 8 1 1 A 20 20 LYS H H 20 7.932 7.764 0.168 1
1 142 . 8 1 1 A 20 20 LYS CA C 20 57.933 53.940 3.993 1
1 143 . 8 1 1 A 20 20 LYS HA H 20 4.092 4.582 -0.490 1
1 144 . 8 1 1 A 20 20 LYS CB C 20 33.918 34.291 -0.373 1
1 156 . 8 1 1 A 20 20 LYS C C 20 174.553 175.513 -0.960 1
1 157 . 8 1 1 A 21 21 SER N N 21 115.470 117.059 -1.589 1
1 158 . 8 1 1 A 21 21 SER H H 21 7.982 8.385 -0.403 1
1 159 . 8 1 1 A 21 21 SER CA C 21 57.450 56.576 0.874 1
1 160 . 8 1 1 A 21 21 SER HA H 21 5.207 5.314 -0.107 1
1 161 . 8 1 1 A 21 21 SER CB C 21 65.453 66.362 -0.909 1
1 164 . 8 1 1 A 21 21 SER C C 21 173.111 172.591 0.520 1
1 165 . 8 1 1 A 22 22 PHE N N 22 119.199 121.009 -1.810 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.655 8.748 -0.093 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.484 56.635 0.849 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.682 5.013 -0.331 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 44.042 43.278 0.764 1
1 182 . 8 1 1 A 22 22 PHE C C 22 175.277 174.862 0.415 1
1 183 . 8 1 1 A 23 23 SER CA C 23 58.896 57.629 1.267 1
1 184 . 8 1 1 A 23 23 SER HA H 23 4.571 4.918 -0.347 1
1 185 . 8 1 1 A 23 23 SER CB C 23 63.524 61.732 1.792 1
1 188 . 8 1 1 A 23 23 SER C C 23 174.297 174.244 0.053 1
1 189 . 8 1 1 A 24 24 GLY N N 24 109.456 114.584 -5.128 1
1 190 . 8 1 1 A 24 24 GLY H H 24 7.551 7.948 -0.397 1
1 191 . 8 1 1 A 24 24 GLY CA C 24 44.838 45.307 -0.469 1
1 192 . 8 1 1 A 24 24 GLY HA2 H 24 4.047 4.195 -0.148 1
1 193 . 8 1 1 A 24 24 GLY HA3 H 24 3.727 4.195 -0.468 1
1 194 . 8 1 1 A 24 24 GLY C C 24 172.500 174.582 -2.082 1
1 195 . 8 1 1 A 25 25 SER N N 25 115.599 117.824 -2.225 1
1 196 . 8 1 1 A 25 25 SER H H 25 8.260 8.920 -0.660 1
1 197 . 8 1 1 A 25 25 SER CA C 25 60.846 62.108 -1.262 1
1 198 . 8 1 1 A 25 25 SER HA H 25 3.496 3.540 -0.044 1
1 199 . 8 1 1 A 25 25 SER CB C 25 62.665 62.328 0.337 1
1 202 . 8 1 1 A 25 25 SER C C 25 176.919 175.821 1.098 1
1 203 . 8 1 1 A 26 26 TYR CA C 26 61.467 61.890 -0.423 1
1 204 . 8 1 1 A 26 26 TYR HA H 26 4.248 3.900 0.348 1
1 205 . 8 1 1 A 26 26 TYR CB C 26 37.421 38.385 -0.964 1
1 216 . 8 1 1 A 26 26 TYR C C 26 177.866 177.502 0.364 1
1 217 . 8 1 1 A 27 27 ARG N N 27 118.122 119.274 -1.152 1
1 218 . 8 1 1 A 27 27 ARG H H 27 8.045 8.286 -0.241 1
1 219 . 8 1 1 A 27 27 ARG CA C 27 58.511 59.191 -0.680 1
1 220 . 8 1 1 A 27 27 ARG HA H 27 3.782 4.478 -0.696 1
1 221 . 8 1 1 A 27 27 ARG CB C 27 29.795 29.915 -0.120 1
1 230 . 8 1 1 A 27 27 ARG C C 27 179.215 178.396 0.819 1
1 231 . 8 1 1 A 28 28 LEU N N 28 120.580 120.910 -0.330 1
1 232 . 8 1 1 A 28 28 LEU H H 28 7.278 7.965 -0.687 1
1 233 . 8 1 1 A 28 28 LEU CA C 28 58.166 58.187 -0.021 1
1 234 . 8 1 1 A 28 28 LEU HA H 28 3.418 4.043 -0.625 1
1 235 . 8 1 1 A 28 28 LEU CB C 28 40.627 41.690 -1.063 1
1 248 . 8 1 1 A 28 28 LEU C C 28 177.435 178.519 -1.084 1
1 249 . 8 1 1 A 29 29 THR N N 29 116.295 114.073 2.222 1
1 250 . 8 1 1 A 29 29 THR H H 29 8.312 7.632 0.680 1
1 251 . 8 1 1 A 29 29 THR CA C 29 66.882 66.116 0.766 1
1 252 . 8 1 1 A 29 29 THR HA H 29 3.772 3.614 0.158 1
1 253 . 8 1 1 A 29 29 THR CB C 29 68.537 68.139 0.398 1
1 259 . 8 1 1 A 29 29 THR C C 29 176.805 176.161 0.644 1
1 260 . 8 1 1 A 30 30 GLN N N 30 118.689 119.066 -0.377 1
1 261 . 8 1 1 A 30 30 GLN H H 30 7.785 7.992 -0.207 1
1 262 . 8 1 1 A 30 30 GLN CA C 30 58.073 58.036 0.037 1
1 263 . 8 1 1 A 30 30 GLN HA H 30 3.872 3.976 -0.104 1
1 264 . 8 1 1 A 30 30 GLN CB C 30 28.779 28.186 0.593 1
1 273 . 8 1 1 A 30 30 GLN C C 30 178.292 178.060 0.232 1
1 274 . 8 1 1 A 31 31 HIS N N 31 118.694 119.166 -0.472 1
1 275 . 8 1 1 A 31 31 HIS H H 31 7.558 7.721 -0.163 1
1 276 . 8 1 1 A 31 31 HIS CA C 31 58.746 59.442 -0.696 1
1 277 . 8 1 1 A 31 31 HIS HA H 31 4.210 4.202 0.008 1
1 278 . 8 1 1 A 31 31 HIS CB C 31 27.916 29.896 -1.980 1
1 285 . 8 1 1 A 31 31 HIS C C 31 177.522 177.010 0.512 1
1 286 . 8 1 1 A 32 32 TRP N N 32 122.468 118.672 3.796 1
1 287 . 8 1 1 A 32 32 TRP H H 32 8.802 8.697 0.105 1
1 288 . 8 1 1 A 32 32 TRP CA C 32 61.090 59.969 1.121 1
1 289 . 8 1 1 A 32 32 TRP HA H 32 4.042 4.328 -0.286 1
1 290 . 8 1 1 A 32 32 TRP CB C 32 29.312 29.303 0.009 1
1 305 . 8 1 1 A 32 32 TRP C C 32 177.947 178.774 -0.827 1
1 306 . 8 1 1 A 33 33 ILE N N 33 116.053 120.581 -4.528 1
1 307 . 8 1 1 A 33 33 ILE H H 33 7.288 7.726 -0.438 1
1 308 . 8 1 1 A 33 33 ILE CA C 33 63.891 64.873 -0.982 1
1 309 . 8 1 1 A 33 33 ILE HA H 33 3.827 3.553 0.274 1
1 310 . 8 1 1 A 33 33 ILE CB C 33 38.065 38.008 0.057 1
1 323 . 8 1 1 A 33 33 ILE C C 33 177.979 177.684 0.295 1
1 324 . 8 1 1 A 34 34 THR N N 34 111.457 113.875 -2.418 1
1 325 . 8 1 1 A 34 34 THR H H 34 7.640 8.091 -0.451 1
1 326 . 8 1 1 A 34 34 THR CA C 34 64.307 64.900 -0.593 1
1 327 . 8 1 1 A 34 34 THR HA H 34 3.990 3.855 0.135 1
1 328 . 8 1 1 A 34 34 THR CB C 34 69.088 68.817 0.271 1
1 334 . 8 1 1 A 34 34 THR C C 34 175.690 175.927 -0.237 1
1 335 . 8 1 1 A 35 35 HIS N N 35 118.326 117.771 0.555 1
1 336 . 8 1 1 A 35 35 HIS H H 35 7.247 7.042 0.205 1
1 337 . 8 1 1 A 35 35 HIS CA C 35 55.628 58.916 -3.288 1
1 338 . 8 1 1 A 35 35 HIS HA H 35 4.735 4.380 0.355 1
1 339 . 8 1 1 A 35 35 HIS CB C 35 28.391 30.525 -2.134 1
1 346 . 8 1 1 A 35 35 HIS C C 35 175.573 177.517 -1.944 1
1 347 . 8 1 1 A 36 36 THR N N 36 113.348 113.557 -0.209 1
1 348 . 8 1 1 A 36 36 THR H H 36 7.747 7.792 -0.045 1
1 349 . 8 1 1 A 36 36 THR CA C 36 62.742 66.579 -3.837 1
1 350 . 8 1 1 A 36 36 THR HA H 36 4.251 3.987 0.264 1
1 351 . 8 1 1 A 36 36 THR CB C 36 69.711 68.787 0.924 1
1 357 . 8 1 1 A 36 36 THR C C 36 174.653 174.803 -0.150 1
1 358 . 8 1 1 A 37 37 ARG N N 37 122.448 115.753 6.695 1
1 359 . 8 1 1 A 37 37 ARG H H 37 8.143 8.126 0.017 1
1 360 . 8 1 1 A 37 37 ARG CA C 37 56.220 54.828 1.392 1
1 361 . 8 1 1 A 37 37 ARG HA H 37 4.335 4.981 -0.646 1
1 362 . 8 1 1 A 37 37 ARG CB C 37 30.719 33.065 -2.346 1
1 371 . 8 1 1 A 37 37 ARG C C 37 176.124 174.749 1.375 1
1 372 . 8 1 1 A 38 38 GLU N N 38 121.219 119.263 1.956 1
1 373 . 8 1 1 A 38 38 GLU H H 38 8.216 8.970 -0.754 1
1 374 . 8 1 1 A 38 38 GLU CA C 38 56.497 54.772 1.725 1
1 375 . 8 1 1 A 38 38 GLU HA H 38 4.255 5.023 -0.768 1
1 376 . 8 1 1 A 38 38 GLU CB C 38 30.410 33.545 -3.135 1
1 382 . 8 1 1 A 38 38 GLU C C 38 176.132 174.105 2.027 1
1 383 . 8 1 1 A 39 39 LYS N N 39 123.433 118.299 5.134 1
1 384 . 8 1 1 A 39 39 LYS H H 39 8.290 8.701 -0.411 1
1 385 . 8 1 1 A 39 39 LYS CA C 39 54.206 53.284 0.922 1
1 386 . 8 1 1 A 39 39 LYS HA H 39 4.575 4.996 -0.421 1
1 387 . 8 1 1 A 39 39 LYS CB C 39 32.516 35.492 -2.976 1
1 396 . 8 1 1 A 39 39 LYS C C 39 174.396 173.909 0.487 1
1 397 . 8 1 1 A 40 40 PRO CA C 40 63.205 62.632 0.573 1
1 398 . 8 1 1 A 40 40 PRO HA H 40 4.463 4.748 -0.285 1
1 399 . 8 1 1 A 40 40 PRO CB C 40 32.160 31.183 0.977 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.504 57.625 0.879 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.481 4.530 -0.049 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.922 65.182 -1.260 1
1 6 . 9 1 1 A 6 6 SER C C 6 175.079 175.387 -0.308 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.906 109.097 1.809 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.456 8.621 -0.165 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.320 47.463 -2.143 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 3.980 3.789 0.191 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 3.980 3.790 0.190 1
1 12 . 9 1 1 A 7 7 GLY C C 7 174.337 175.011 -0.674 1
1 13 . 9 1 1 A 8 8 GLU N N 8 120.775 120.091 0.684 1
1 14 . 9 1 1 A 8 8 GLU H H 8 8.343 8.028 0.315 1
1 15 . 9 1 1 A 8 8 GLU CA C 8 56.857 56.564 0.293 1
1 16 . 9 1 1 A 8 8 GLU HA H 8 4.297 4.383 -0.086 1
1 17 . 9 1 1 A 8 8 GLU CB C 8 30.354 30.990 -0.636 1
1 23 . 9 1 1 A 8 8 GLU C C 8 177.082 177.256 -0.174 1
1 24 . 9 1 1 A 9 9 GLY N N 9 109.791 114.310 -4.519 1
1 25 . 9 1 1 A 9 9 GLY H H 9 8.472 8.800 -0.328 1
1 26 . 9 1 1 A 9 9 GLY CA C 9 45.201 45.131 0.070 1
1 27 . 9 1 1 A 9 9 GLY HA2 H 9 3.962 4.009 -0.047 1
1 28 . 9 1 1 A 9 9 GLY HA3 H 9 3.962 4.014 -0.052 1
1 29 . 9 1 1 A 9 9 GLY C C 9 173.936 174.399 -0.463 1
1 30 . 9 1 1 A 10 10 GLU N N 10 120.213 119.391 0.822 1
1 31 . 9 1 1 A 10 10 GLU H H 10 8.203 7.879 0.324 1
1 32 . 9 1 1 A 10 10 GLU CA C 10 56.464 55.407 1.057 1
1 33 . 9 1 1 A 10 10 GLU HA H 10 4.280 4.428 -0.148 1
1 34 . 9 1 1 A 10 10 GLU CB C 10 30.387 30.670 -0.283 1
1 40 . 9 1 1 A 10 10 GLU C C 10 176.324 175.483 0.841 1
1 41 . 9 1 1 A 11 11 LYS N N 11 123.251 125.538 -2.287 1
1 42 . 9 1 1 A 11 11 LYS H H 11 8.292 8.828 -0.536 1
1 43 . 9 1 1 A 11 11 LYS CA C 11 54.057 53.834 0.223 1
1 44 . 9 1 1 A 11 11 LYS HA H 11 4.538 4.655 -0.117 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 32.749 32.206 0.543 1
1 57 . 9 1 1 A 12 12 PRO CA C 12 63.124 64.649 -1.525 1
1 58 . 9 1 1 A 12 12 PRO HA H 12 4.435 4.502 -0.067 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.125 32.028 0.097 1
1 68 . 9 1 1 A 12 12 PRO C C 12 176.448 176.274 0.174 1
1 69 . 9 1 1 A 13 13 TYR N N 13 119.740 117.731 2.009 1
1 70 . 9 1 1 A 13 13 TYR H H 13 8.457 7.415 1.042 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.356 56.523 0.833 1
1 72 . 9 1 1 A 13 13 TYR HA H 13 4.537 5.051 -0.514 1
1 73 . 9 1 1 A 13 13 TYR CB C 13 38.918 38.982 -0.064 1
1 84 . 9 1 1 A 13 13 TYR C C 13 174.408 174.142 0.266 1
1 85 . 9 1 1 A 14 14 GLN N N 14 122.442 125.658 -3.216 1
1 86 . 9 1 1 A 14 14 GLN H H 14 8.482 9.056 -0.574 1
1 87 . 9 1 1 A 14 14 GLN CA C 14 54.562 54.264 0.298 1
1 88 . 9 1 1 A 14 14 GLN HA H 14 4.996 5.318 -0.322 1
1 89 . 9 1 1 A 14 14 GLN CB C 14 31.639 30.268 1.371 1
1 98 . 9 1 1 A 14 14 GLN C C 14 175.180 175.457 -0.277 1
1 99 . 9 1 1 A 15 15 CYS N N 15 128.228 126.175 2.053 1
1 100 . 9 1 1 A 15 15 CYS H H 15 9.319 9.163 0.156 1
1 101 . 9 1 1 A 15 15 CYS CA C 15 59.809 60.391 -0.582 1
1 102 . 9 1 1 A 15 15 CYS HA H 15 4.710 4.926 -0.216 1
1 103 . 9 1 1 A 15 15 CYS CB C 15 30.177 28.993 1.184 1
1 106 . 9 1 1 A 15 15 CYS C C 15 177.750 176.363 1.387 1
1 107 . 9 1 1 A 16 16 SER N N 16 128.171 123.557 4.614 1
1 108 . 9 1 1 A 16 16 SER H H 16 9.434 9.472 -0.038 1
1 109 . 9 1 1 A 16 16 SER CA C 16 60.913 58.523 2.390 1
1 110 . 9 1 1 A 16 16 SER HA H 16 4.299 4.692 -0.393 1
1 111 . 9 1 1 A 16 16 SER CB C 16 63.126 63.219 -0.093 1
1 114 . 9 1 1 A 16 16 SER C C 16 174.606 174.818 -0.212 1
1 115 . 9 1 1 A 17 17 GLU N N 17 124.574 120.841 3.733 1
1 116 . 9 1 1 A 17 17 GLU H H 17 9.028 7.728 1.300 1
1 117 . 9 1 1 A 17 17 GLU CA C 17 57.949 56.228 1.721 1
1 118 . 9 1 1 A 17 17 GLU HA H 17 4.338 4.227 0.111 1
1 119 . 9 1 1 A 17 17 GLU CB C 17 29.942 30.792 -0.850 1
1 125 . 9 1 1 A 17 17 GLU C C 17 177.060 177.293 -0.233 1
1 126 . 9 1 1 A 18 18 CYS N N 18 114.918 115.098 -0.180 1
1 127 . 9 1 1 A 18 18 CYS H H 18 8.089 7.893 0.196 1
1 128 . 9 1 1 A 18 18 CYS CA C 18 58.331 59.277 -0.946 1
1 129 . 9 1 1 A 18 18 CYS HA H 18 5.177 4.597 0.580 1
1 130 . 9 1 1 A 18 18 CYS CB C 18 32.407 30.326 2.081 1
1 133 . 9 1 1 A 18 18 CYS C C 18 176.482 175.753 0.729 1
1 134 . 9 1 1 A 19 19 GLY N N 19 113.022 110.056 2.966 1
1 135 . 9 1 1 A 19 19 GLY H H 19 8.104 8.204 -0.100 1
1 136 . 9 1 1 A 19 19 GLY CA C 19 46.298 45.652 0.646 1
1 137 . 9 1 1 A 19 19 GLY HA2 H 19 3.856 4.034 -0.178 1
1 138 . 9 1 1 A 19 19 GLY HA3 H 19 4.240 4.046 0.194 1
1 139 . 9 1 1 A 19 19 GLY C C 19 173.951 174.089 -0.138 1
1 140 . 9 1 1 A 20 20 LYS N N 20 122.753 119.755 2.998 1
1 141 . 9 1 1 A 20 20 LYS H H 20 7.932 7.882 0.050 1
1 142 . 9 1 1 A 20 20 LYS CA C 20 57.933 54.328 3.605 1
1 143 . 9 1 1 A 20 20 LYS HA H 20 4.092 4.534 -0.442 1
1 144 . 9 1 1 A 20 20 LYS CB C 20 33.918 35.006 -1.088 1
1 156 . 9 1 1 A 20 20 LYS C C 20 174.553 175.159 -0.606 1
1 157 . 9 1 1 A 21 21 SER N N 21 115.470 119.701 -4.231 1
1 158 . 9 1 1 A 21 21 SER H H 21 7.982 8.568 -0.586 1
1 159 . 9 1 1 A 21 21 SER CA C 21 57.450 57.768 -0.318 1
1 160 . 9 1 1 A 21 21 SER HA H 21 5.207 5.034 0.173 1
1 161 . 9 1 1 A 21 21 SER CB C 21 65.453 64.347 1.106 1
1 164 . 9 1 1 A 21 21 SER C C 21 173.111 173.081 0.030 1
1 165 . 9 1 1 A 22 22 PHE N N 22 119.199 123.952 -4.753 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.655 9.399 -0.744 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.484 56.709 0.775 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.682 5.071 -0.389 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 44.042 44.080 -0.038 1
1 182 . 9 1 1 A 22 22 PHE C C 22 175.277 174.439 0.838 1
1 183 . 9 1 1 A 23 23 SER CA C 23 58.896 56.837 2.059 1
1 184 . 9 1 1 A 23 23 SER HA H 23 4.571 4.827 -0.256 1
1 185 . 9 1 1 A 23 23 SER CB C 23 63.524 62.649 0.875 1
1 188 . 9 1 1 A 23 23 SER C C 23 174.297 173.014 1.283 1
1 189 . 9 1 1 A 24 24 GLY N N 24 109.456 113.596 -4.140 1
1 190 . 9 1 1 A 24 24 GLY H H 24 7.551 7.770 -0.219 1
1 191 . 9 1 1 A 24 24 GLY CA C 24 44.838 45.231 -0.393 1
1 192 . 9 1 1 A 24 24 GLY HA2 H 24 4.047 3.848 0.199 1
1 193 . 9 1 1 A 24 24 GLY HA3 H 24 3.727 4.058 -0.331 1
1 194 . 9 1 1 A 24 24 GLY C C 24 172.500 174.021 -1.521 1
1 195 . 9 1 1 A 25 25 SER N N 25 115.599 116.117 -0.518 1
1 196 . 9 1 1 A 25 25 SER H H 25 8.260 8.558 -0.298 1
1 197 . 9 1 1 A 25 25 SER CA C 25 60.846 60.663 0.183 1
1 198 . 9 1 1 A 25 25 SER HA H 25 3.496 4.140 -0.644 1
1 199 . 9 1 1 A 25 25 SER CB C 25 62.665 62.668 -0.003 1
1 202 . 9 1 1 A 25 25 SER C C 25 176.919 175.892 1.027 1
1 203 . 9 1 1 A 26 26 TYR CA C 26 61.467 61.658 -0.191 1
1 204 . 9 1 1 A 26 26 TYR HA H 26 4.248 3.977 0.271 1
1 205 . 9 1 1 A 26 26 TYR CB C 26 37.421 38.926 -1.505 1
1 216 . 9 1 1 A 26 26 TYR C C 26 177.866 177.132 0.734 1
1 217 . 9 1 1 A 27 27 ARG N N 27 118.122 117.865 0.257 1
1 218 . 9 1 1 A 27 27 ARG H H 27 8.045 8.359 -0.314 1
1 219 . 9 1 1 A 27 27 ARG CA C 27 58.511 59.061 -0.550 1
1 220 . 9 1 1 A 27 27 ARG HA H 27 3.782 3.998 -0.216 1
1 221 . 9 1 1 A 27 27 ARG CB C 27 29.795 29.702 0.093 1
1 230 . 9 1 1 A 27 27 ARG C C 27 179.215 177.988 1.227 1
1 231 . 9 1 1 A 28 28 LEU N N 28 120.580 121.816 -1.236 1
1 232 . 9 1 1 A 28 28 LEU H H 28 7.278 7.809 -0.531 1
1 233 . 9 1 1 A 28 28 LEU CA C 28 58.166 58.056 0.110 1
1 234 . 9 1 1 A 28 28 LEU HA H 28 3.418 4.062 -0.644 1
1 235 . 9 1 1 A 28 28 LEU CB C 28 40.627 42.065 -1.438 1
1 248 . 9 1 1 A 28 28 LEU C C 28 177.435 178.442 -1.007 1
1 249 . 9 1 1 A 29 29 THR N N 29 116.295 113.936 2.359 1
1 250 . 9 1 1 A 29 29 THR H H 29 8.312 8.134 0.178 1
1 251 . 9 1 1 A 29 29 THR CA C 29 66.882 65.674 1.208 1
1 252 . 9 1 1 A 29 29 THR HA H 29 3.772 3.661 0.111 1
1 253 . 9 1 1 A 29 29 THR CB C 29 68.537 69.117 -0.580 1
1 259 . 9 1 1 A 29 29 THR C C 29 176.805 176.778 0.027 1
1 260 . 9 1 1 A 30 30 GLN N N 30 118.689 118.956 -0.267 1
1 261 . 9 1 1 A 30 30 GLN H H 30 7.785 8.254 -0.469 1
1 262 . 9 1 1 A 30 30 GLN CA C 30 58.073 57.842 0.231 1
1 263 . 9 1 1 A 30 30 GLN HA H 30 3.872 3.973 -0.101 1
1 264 . 9 1 1 A 30 30 GLN CB C 30 28.779 27.870 0.909 1
1 273 . 9 1 1 A 30 30 GLN C C 30 178.292 177.926 0.366 1
1 274 . 9 1 1 A 31 31 HIS N N 31 118.694 119.548 -0.854 1
1 275 . 9 1 1 A 31 31 HIS H H 31 7.558 8.490 -0.932 1
1 276 . 9 1 1 A 31 31 HIS CA C 31 58.746 59.002 -0.256 1
1 277 . 9 1 1 A 31 31 HIS HA H 31 4.210 4.164 0.046 1
1 278 . 9 1 1 A 31 31 HIS CB C 31 27.916 29.717 -1.801 1
1 285 . 9 1 1 A 31 31 HIS C C 31 177.522 177.243 0.279 1
1 286 . 9 1 1 A 32 32 TRP N N 32 122.468 118.756 3.712 1
1 287 . 9 1 1 A 32 32 TRP H H 32 8.802 8.570 0.232 1
1 288 . 9 1 1 A 32 32 TRP CA C 32 61.090 60.121 0.969 1
1 289 . 9 1 1 A 32 32 TRP HA H 32 4.042 4.080 -0.038 1
1 290 . 9 1 1 A 32 32 TRP CB C 32 29.312 29.277 0.035 1
1 305 . 9 1 1 A 32 32 TRP C C 32 177.947 178.673 -0.726 1
1 306 . 9 1 1 A 33 33 ILE N N 33 116.053 120.379 -4.326 1
1 307 . 9 1 1 A 33 33 ILE H H 33 7.288 8.083 -0.795 1
1 308 . 9 1 1 A 33 33 ILE CA C 33 63.891 65.320 -1.429 1
1 309 . 9 1 1 A 33 33 ILE HA H 33 3.827 3.830 -0.003 1
1 310 . 9 1 1 A 33 33 ILE CB C 33 38.065 37.813 0.252 1
1 323 . 9 1 1 A 33 33 ILE C C 33 177.979 178.375 -0.396 1
1 324 . 9 1 1 A 34 34 THR N N 34 111.457 113.513 -2.056 1
1 325 . 9 1 1 A 34 34 THR H H 34 7.640 8.097 -0.457 1
1 326 . 9 1 1 A 34 34 THR CA C 34 64.307 65.412 -1.105 1
1 327 . 9 1 1 A 34 34 THR HA H 34 3.990 3.922 0.068 1
1 328 . 9 1 1 A 34 34 THR CB C 34 69.088 67.689 1.399 1
1 334 . 9 1 1 A 34 34 THR C C 34 175.690 177.297 -1.607 1
1 335 . 9 1 1 A 35 35 HIS N N 35 118.326 119.451 -1.125 1
1 336 . 9 1 1 A 35 35 HIS H H 35 7.247 7.945 -0.698 1
1 337 . 9 1 1 A 35 35 HIS CA C 35 55.628 59.453 -3.825 1
1 338 . 9 1 1 A 35 35 HIS HA H 35 4.735 4.357 0.378 1
1 339 . 9 1 1 A 35 35 HIS CB C 35 28.391 29.487 -1.096 1
1 346 . 9 1 1 A 35 35 HIS C C 35 175.573 177.519 -1.946 1
1 347 . 9 1 1 A 36 36 THR N N 36 113.348 116.002 -2.654 1
1 348 . 9 1 1 A 36 36 THR H H 36 7.747 7.902 -0.155 1
1 349 . 9 1 1 A 36 36 THR CA C 36 62.742 66.714 -3.972 1
1 350 . 9 1 1 A 36 36 THR HA H 36 4.251 3.778 0.473 1
1 351 . 9 1 1 A 36 36 THR CB C 36 69.711 68.550 1.161 1
1 357 . 9 1 1 A 36 36 THR C C 36 174.653 177.008 -2.355 1
1 358 . 9 1 1 A 37 37 ARG N N 37 122.448 119.861 2.587 1
1 359 . 9 1 1 A 37 37 ARG H H 37 8.143 7.966 0.177 1
1 360 . 9 1 1 A 37 37 ARG CA C 37 56.220 58.993 -2.773 1
1 361 . 9 1 1 A 37 37 ARG HA H 37 4.335 4.098 0.237 1
1 362 . 9 1 1 A 37 37 ARG CB C 37 30.719 29.922 0.797 1
1 371 . 9 1 1 A 37 37 ARG C C 37 176.124 176.061 0.063 1
1 372 . 9 1 1 A 38 38 GLU N N 38 121.219 120.111 1.108 1
1 373 . 9 1 1 A 38 38 GLU H H 38 8.216 7.765 0.451 1
1 374 . 9 1 1 A 38 38 GLU CA C 38 56.497 55.671 0.826 1
1 375 . 9 1 1 A 38 38 GLU HA H 38 4.255 4.492 -0.237 1
1 376 . 9 1 1 A 38 38 GLU CB C 38 30.410 29.773 0.637 1
1 382 . 9 1 1 A 38 38 GLU C C 38 176.132 174.398 1.734 1
1 383 . 9 1 1 A 39 39 LYS N N 39 123.433 126.078 -2.645 1
1 384 . 9 1 1 A 39 39 LYS H H 39 8.290 8.598 -0.308 1
1 385 . 9 1 1 A 39 39 LYS CA C 39 54.206 53.115 1.091 1
1 386 . 9 1 1 A 39 39 LYS HA H 39 4.575 4.697 -0.122 1
1 387 . 9 1 1 A 39 39 LYS CB C 39 32.516 32.110 0.406 1
1 396 . 9 1 1 A 39 39 LYS C C 39 174.396 174.348 0.048 1
1 397 . 9 1 1 A 40 40 PRO CA C 40 63.205 62.373 0.832 1
1 398 . 9 1 1 A 40 40 PRO HA H 40 4.463 4.574 -0.111 1
1 399 . 9 1 1 A 40 40 PRO CB C 40 32.160 33.325 -1.165 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.504 57.327 1.177 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.481 4.904 -0.423 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.922 64.073 -0.151 1
1 6 . 10 1 1 A 6 6 SER C C 6 175.079 172.967 2.112 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.906 113.875 -2.969 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.456 9.160 -0.704 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.320 45.918 -0.598 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 3.980 4.054 -0.074 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 3.980 4.056 -0.076 1
1 12 . 10 1 1 A 7 7 GLY C C 7 174.337 174.985 -0.648 1
1 13 . 10 1 1 A 8 8 GLU N N 8 120.775 122.204 -1.429 1
1 14 . 10 1 1 A 8 8 GLU H H 8 8.343 8.667 -0.324 1
1 15 . 10 1 1 A 8 8 GLU CA C 8 56.857 55.594 1.263 1
1 16 . 10 1 1 A 8 8 GLU HA H 8 4.297 4.431 -0.134 1
1 17 . 10 1 1 A 8 8 GLU CB C 8 30.354 28.691 1.663 1
1 23 . 10 1 1 A 8 8 GLU C C 8 177.082 176.891 0.191 1
1 24 . 10 1 1 A 9 9 GLY N N 9 109.791 110.342 -0.551 1
1 25 . 10 1 1 A 9 9 GLY H H 9 8.472 7.990 0.482 1
1 26 . 10 1 1 A 9 9 GLY CA C 9 45.201 46.530 -1.329 1
1 27 . 10 1 1 A 9 9 GLY HA2 H 9 3.962 3.958 0.004 1
1 28 . 10 1 1 A 9 9 GLY HA3 H 9 3.962 3.959 0.003 1
1 29 . 10 1 1 A 9 9 GLY C C 9 173.936 173.739 0.197 1
1 30 . 10 1 1 A 10 10 GLU N N 10 120.213 123.002 -2.789 1
1 31 . 10 1 1 A 10 10 GLU H H 10 8.203 8.312 -0.109 1
1 32 . 10 1 1 A 10 10 GLU CA C 10 56.464 55.636 0.828 1
1 33 . 10 1 1 A 10 10 GLU HA H 10 4.280 4.971 -0.691 1
1 34 . 10 1 1 A 10 10 GLU CB C 10 30.387 30.994 -0.607 1
1 40 . 10 1 1 A 10 10 GLU C C 10 176.324 175.559 0.765 1
1 41 . 10 1 1 A 11 11 LYS N N 11 123.251 123.250 0.001 1
1 42 . 10 1 1 A 11 11 LYS H H 11 8.292 8.878 -0.586 1
1 43 . 10 1 1 A 11 11 LYS CA C 11 54.057 52.957 1.100 1
1 44 . 10 1 1 A 11 11 LYS HA H 11 4.538 4.733 -0.195 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 32.749 32.912 -0.163 1
1 57 . 10 1 1 A 12 12 PRO CA C 12 63.124 64.293 -1.169 1
1 58 . 10 1 1 A 12 12 PRO HA H 12 4.435 4.300 0.135 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.125 31.566 0.559 1
1 68 . 10 1 1 A 12 12 PRO C C 12 176.448 175.810 0.638 1
1 69 . 10 1 1 A 13 13 TYR N N 13 119.740 117.379 2.361 1
1 70 . 10 1 1 A 13 13 TYR H H 13 8.457 7.722 0.735 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.356 56.177 1.179 1
1 72 . 10 1 1 A 13 13 TYR HA H 13 4.537 4.994 -0.457 1
1 73 . 10 1 1 A 13 13 TYR CB C 13 38.918 38.777 0.141 1
1 84 . 10 1 1 A 13 13 TYR C C 13 174.408 174.069 0.339 1
1 85 . 10 1 1 A 14 14 GLN N N 14 122.442 124.899 -2.457 1
1 86 . 10 1 1 A 14 14 GLN H H 14 8.482 8.956 -0.474 1
1 87 . 10 1 1 A 14 14 GLN CA C 14 54.562 54.294 0.268 1
1 88 . 10 1 1 A 14 14 GLN HA H 14 4.996 5.405 -0.409 1
1 89 . 10 1 1 A 14 14 GLN CB C 14 31.639 32.173 -0.534 1
1 98 . 10 1 1 A 14 14 GLN C C 14 175.180 175.083 0.097 1
1 99 . 10 1 1 A 15 15 CYS N N 15 128.228 126.424 1.804 1
1 100 . 10 1 1 A 15 15 CYS H H 15 9.319 8.780 0.539 1
1 101 . 10 1 1 A 15 15 CYS CA C 15 59.809 59.958 -0.149 1
1 102 . 10 1 1 A 15 15 CYS HA H 15 4.710 4.870 -0.160 1
1 103 . 10 1 1 A 15 15 CYS CB C 15 30.177 28.630 1.547 1
1 106 . 10 1 1 A 15 15 CYS C C 15 177.750 175.565 2.185 1
1 107 . 10 1 1 A 16 16 SER N N 16 128.171 123.410 4.761 1
1 108 . 10 1 1 A 16 16 SER H H 16 9.434 9.135 0.299 1
1 109 . 10 1 1 A 16 16 SER CA C 16 60.913 61.338 -0.425 1
1 110 . 10 1 1 A 16 16 SER HA H 16 4.299 4.147 0.152 1
1 111 . 10 1 1 A 16 16 SER CB C 16 63.126 62.605 0.521 1
1 114 . 10 1 1 A 16 16 SER C C 16 174.606 176.786 -2.180 1
1 115 . 10 1 1 A 17 17 GLU N N 17 124.574 120.408 4.166 1
1 116 . 10 1 1 A 17 17 GLU H H 17 9.028 8.025 1.003 1
1 117 . 10 1 1 A 17 17 GLU CA C 17 57.949 59.257 -1.308 1
1 118 . 10 1 1 A 17 17 GLU HA H 17 4.338 3.753 0.585 1
1 119 . 10 1 1 A 17 17 GLU CB C 17 29.942 28.660 1.282 1
1 125 . 10 1 1 A 17 17 GLU C C 17 177.060 177.853 -0.793 1
1 126 . 10 1 1 A 18 18 CYS N N 18 114.918 114.397 0.521 1
1 127 . 10 1 1 A 18 18 CYS H H 18 8.089 7.679 0.410 1
1 128 . 10 1 1 A 18 18 CYS CA C 18 58.331 59.545 -1.214 1
1 129 . 10 1 1 A 18 18 CYS HA H 18 5.177 4.591 0.586 1
1 130 . 10 1 1 A 18 18 CYS CB C 18 32.407 29.847 2.560 1
1 133 . 10 1 1 A 18 18 CYS C C 18 176.482 175.286 1.196 1
1 134 . 10 1 1 A 19 19 GLY N N 19 113.022 109.871 3.151 1
1 135 . 10 1 1 A 19 19 GLY H H 19 8.104 8.087 0.017 1
1 136 . 10 1 1 A 19 19 GLY CA C 19 46.298 46.122 0.176 1
1 137 . 10 1 1 A 19 19 GLY HA2 H 19 3.856 3.997 -0.141 1
1 138 . 10 1 1 A 19 19 GLY HA3 H 19 4.240 4.001 0.239 1
1 139 . 10 1 1 A 19 19 GLY C C 19 173.951 174.035 -0.084 1
1 140 . 10 1 1 A 20 20 LYS N N 20 122.753 119.606 3.147 1
1 141 . 10 1 1 A 20 20 LYS H H 20 7.932 7.452 0.480 1
1 142 . 10 1 1 A 20 20 LYS CA C 20 57.933 54.073 3.860 1
1 143 . 10 1 1 A 20 20 LYS HA H 20 4.092 4.787 -0.695 1
1 144 . 10 1 1 A 20 20 LYS CB C 20 33.918 36.046 -2.128 1
1 156 . 10 1 1 A 20 20 LYS C C 20 174.553 174.653 -0.100 1
1 157 . 10 1 1 A 21 21 SER N N 21 115.470 115.924 -0.454 1
1 158 . 10 1 1 A 21 21 SER H H 21 7.982 8.205 -0.223 1
1 159 . 10 1 1 A 21 21 SER CA C 21 57.450 56.338 1.112 1
1 160 . 10 1 1 A 21 21 SER HA H 21 5.207 5.130 0.077 1
1 161 . 10 1 1 A 21 21 SER CB C 21 65.453 65.053 0.400 1
1 164 . 10 1 1 A 21 21 SER C C 21 173.111 172.307 0.804 1
1 165 . 10 1 1 A 22 22 PHE N N 22 119.199 124.352 -5.153 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.655 8.568 0.087 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.484 56.324 1.160 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.682 5.123 -0.441 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 44.042 43.957 0.085 1
1 182 . 10 1 1 A 22 22 PHE C C 22 175.277 173.538 1.739 1
1 183 . 10 1 1 A 23 23 SER CA C 23 58.896 57.054 1.842 1
1 184 . 10 1 1 A 23 23 SER HA H 23 4.571 5.188 -0.617 1
1 185 . 10 1 1 A 23 23 SER CB C 23 63.524 64.119 -0.595 1
1 188 . 10 1 1 A 23 23 SER C C 23 174.297 173.804 0.493 1
1 189 . 10 1 1 A 24 24 GLY N N 24 109.456 112.027 -2.571 1
1 190 . 10 1 1 A 24 24 GLY H H 24 7.551 8.190 -0.639 1
1 191 . 10 1 1 A 24 24 GLY CA C 24 44.838 44.571 0.267 1
1 192 . 10 1 1 A 24 24 GLY HA2 H 24 4.047 3.905 0.142 1
1 193 . 10 1 1 A 24 24 GLY HA3 H 24 3.727 4.113 -0.386 1
1 194 . 10 1 1 A 24 24 GLY C C 24 172.500 174.201 -1.701 1
1 195 . 10 1 1 A 25 25 SER N N 25 115.599 115.490 0.109 1
1 196 . 10 1 1 A 25 25 SER H H 25 8.260 8.483 -0.223 1
1 197 . 10 1 1 A 25 25 SER CA C 25 60.846 60.902 -0.056 1
1 198 . 10 1 1 A 25 25 SER HA H 25 3.496 4.049 -0.553 1
1 199 . 10 1 1 A 25 25 SER CB C 25 62.665 63.305 -0.640 1
1 202 . 10 1 1 A 25 25 SER C C 25 176.919 175.843 1.076 1
1 203 . 10 1 1 A 26 26 TYR CA C 26 61.467 61.237 0.230 1
1 204 . 10 1 1 A 26 26 TYR HA H 26 4.248 4.047 0.201 1
1 205 . 10 1 1 A 26 26 TYR CB C 26 37.421 38.566 -1.145 1
1 216 . 10 1 1 A 26 26 TYR C C 26 177.866 177.310 0.556 1
1 217 . 10 1 1 A 27 27 ARG N N 27 118.122 119.550 -1.428 1
1 218 . 10 1 1 A 27 27 ARG H H 27 8.045 8.191 -0.146 1
1 219 . 10 1 1 A 27 27 ARG CA C 27 58.511 59.002 -0.491 1
1 220 . 10 1 1 A 27 27 ARG HA H 27 3.782 3.727 0.055 1
1 221 . 10 1 1 A 27 27 ARG CB C 27 29.795 29.737 0.058 1
1 230 . 10 1 1 A 27 27 ARG C C 27 179.215 178.048 1.167 1
1 231 . 10 1 1 A 28 28 LEU N N 28 120.580 120.721 -0.141 1
1 232 . 10 1 1 A 28 28 LEU H H 28 7.278 7.611 -0.333 1
1 233 . 10 1 1 A 28 28 LEU CA C 28 58.166 58.461 -0.295 1
1 234 . 10 1 1 A 28 28 LEU HA H 28 3.418 3.958 -0.540 1
1 235 . 10 1 1 A 28 28 LEU CB C 28 40.627 42.140 -1.513 1
1 248 . 10 1 1 A 28 28 LEU C C 28 177.435 178.189 -0.754 1
1 249 . 10 1 1 A 29 29 THR N N 29 116.295 112.201 4.094 1
1 250 . 10 1 1 A 29 29 THR H H 29 8.312 7.906 0.406 1
1 251 . 10 1 1 A 29 29 THR CA C 29 66.882 65.464 1.418 1
1 252 . 10 1 1 A 29 29 THR HA H 29 3.772 3.847 -0.075 1
1 253 . 10 1 1 A 29 29 THR CB C 29 68.537 68.047 0.490 1
1 259 . 10 1 1 A 29 29 THR C C 29 176.805 177.202 -0.397 1
1 260 . 10 1 1 A 30 30 GLN N N 30 118.689 121.124 -2.435 1
1 261 . 10 1 1 A 30 30 GLN H H 30 7.785 7.753 0.032 1
1 262 . 10 1 1 A 30 30 GLN CA C 30 58.073 58.411 -0.338 1
1 263 . 10 1 1 A 30 30 GLN HA H 30 3.872 3.894 -0.022 1
1 264 . 10 1 1 A 30 30 GLN CB C 30 28.779 27.906 0.873 1
1 273 . 10 1 1 A 30 30 GLN C C 30 178.292 178.419 -0.127 1
1 274 . 10 1 1 A 31 31 HIS N N 31 118.694 120.874 -2.180 1
1 275 . 10 1 1 A 31 31 HIS H H 31 7.558 8.171 -0.613 1
1 276 . 10 1 1 A 31 31 HIS CA C 31 58.746 58.605 0.141 1
1 277 . 10 1 1 A 31 31 HIS HA H 31 4.210 4.171 0.039 1
1 278 . 10 1 1 A 31 31 HIS CB C 31 27.916 30.192 -2.276 1
1 285 . 10 1 1 A 31 31 HIS C C 31 177.522 177.207 0.315 1
1 286 . 10 1 1 A 32 32 TRP N N 32 122.468 118.823 3.645 1
1 287 . 10 1 1 A 32 32 TRP H H 32 8.802 8.320 0.482 1
1 288 . 10 1 1 A 32 32 TRP CA C 32 61.090 60.169 0.921 1
1 289 . 10 1 1 A 32 32 TRP HA H 32 4.042 4.493 -0.451 1
1 290 . 10 1 1 A 32 32 TRP CB C 32 29.312 29.101 0.211 1
1 305 . 10 1 1 A 32 32 TRP C C 32 177.947 178.997 -1.050 1
1 306 . 10 1 1 A 33 33 ILE N N 33 116.053 120.259 -4.206 1
1 307 . 10 1 1 A 33 33 ILE H H 33 7.288 8.242 -0.954 1
1 308 . 10 1 1 A 33 33 ILE CA C 33 63.891 65.388 -1.497 1
1 309 . 10 1 1 A 33 33 ILE HA H 33 3.827 3.755 0.072 1
1 310 . 10 1 1 A 33 33 ILE CB C 33 38.065 37.800 0.265 1
1 323 . 10 1 1 A 33 33 ILE C C 33 177.979 178.304 -0.325 1
1 324 . 10 1 1 A 34 34 THR N N 34 111.457 113.858 -2.401 1
1 325 . 10 1 1 A 34 34 THR H H 34 7.640 7.988 -0.348 1
1 326 . 10 1 1 A 34 34 THR CA C 34 64.307 65.358 -1.051 1
1 327 . 10 1 1 A 34 34 THR HA H 34 3.990 3.863 0.127 1
1 328 . 10 1 1 A 34 34 THR CB C 34 69.088 67.672 1.416 1
1 334 . 10 1 1 A 34 34 THR C C 34 175.690 177.143 -1.453 1
1 335 . 10 1 1 A 35 35 HIS N N 35 118.326 119.347 -1.021 1
1 336 . 10 1 1 A 35 35 HIS H H 35 7.247 7.908 -0.661 1
1 337 . 10 1 1 A 35 35 HIS CA C 35 55.628 59.560 -3.932 1
1 338 . 10 1 1 A 35 35 HIS HA H 35 4.735 4.255 0.480 1
1 339 . 10 1 1 A 35 35 HIS CB C 35 28.391 30.120 -1.729 1
1 346 . 10 1 1 A 35 35 HIS C C 35 175.573 177.445 -1.872 1
1 347 . 10 1 1 A 36 36 THR N N 36 113.348 114.859 -1.511 1
1 348 . 10 1 1 A 36 36 THR H H 36 7.747 7.736 0.011 1
1 349 . 10 1 1 A 36 36 THR CA C 36 62.742 66.880 -4.138 1
1 350 . 10 1 1 A 36 36 THR HA H 36 4.251 3.830 0.421 1
1 351 . 10 1 1 A 36 36 THR CB C 36 69.711 68.697 1.014 1
1 357 . 10 1 1 A 36 36 THR C C 36 174.653 175.242 -0.589 1
1 358 . 10 1 1 A 37 37 ARG N N 37 122.448 119.481 2.967 1
1 359 . 10 1 1 A 37 37 ARG H H 37 8.143 7.587 0.556 1
1 360 . 10 1 1 A 37 37 ARG CA C 37 56.220 56.132 0.088 1
1 361 . 10 1 1 A 37 37 ARG HA H 37 4.335 4.437 -0.102 1
1 362 . 10 1 1 A 37 37 ARG CB C 37 30.719 30.540 0.179 1
1 371 . 10 1 1 A 37 37 ARG C C 37 176.124 175.498 0.626 1
1 372 . 10 1 1 A 38 38 GLU N N 38 121.219 122.167 -0.948 1
1 373 . 10 1 1 A 38 38 GLU H H 38 8.216 8.672 -0.456 1
1 374 . 10 1 1 A 38 38 GLU CA C 38 56.497 55.434 1.063 1
1 375 . 10 1 1 A 38 38 GLU HA H 38 4.255 5.043 -0.788 1
1 376 . 10 1 1 A 38 38 GLU CB C 38 30.410 32.089 -1.679 1
1 382 . 10 1 1 A 38 38 GLU C C 38 176.132 174.976 1.156 1
1 383 . 10 1 1 A 39 39 LYS N N 39 123.433 123.852 -0.419 1
1 384 . 10 1 1 A 39 39 LYS H H 39 8.290 8.778 -0.488 1
1 385 . 10 1 1 A 39 39 LYS CA C 39 54.206 53.867 0.339 1
1 386 . 10 1 1 A 39 39 LYS HA H 39 4.575 4.925 -0.350 1
1 387 . 10 1 1 A 39 39 LYS CB C 39 32.516 35.891 -3.375 1
1 396 . 10 1 1 A 39 39 LYS C C 39 174.396 173.494 0.902 1
1 397 . 10 1 1 A 40 40 PRO CA C 40 63.205 62.594 0.611 1
1 398 . 10 1 1 A 40 40 PRO HA H 40 4.463 4.729 -0.266 1
1 399 . 10 1 1 A 40 40 PRO CB C 40 32.160 30.352 1.808 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.504 56.634 1.870 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.481 5.308 -0.827 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.922 66.522 -2.600 1
1 6 . 11 1 1 A 6 6 SER C C 6 175.079 173.069 2.010 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.906 111.398 -0.492 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.456 8.277 0.179 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.320 46.064 -0.744 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 3.980 4.164 -0.184 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 3.980 4.164 -0.184 1
1 12 . 11 1 1 A 7 7 GLY C C 7 174.337 174.068 0.269 1
1 13 . 11 1 1 A 8 8 GLU N N 8 120.775 120.682 0.093 1
1 14 . 11 1 1 A 8 8 GLU H H 8 8.343 8.024 0.319 1
1 15 . 11 1 1 A 8 8 GLU CA C 8 56.857 56.478 0.379 1
1 16 . 11 1 1 A 8 8 GLU HA H 8 4.297 4.303 -0.006 1
1 17 . 11 1 1 A 8 8 GLU CB C 8 30.354 30.065 0.289 1
1 23 . 11 1 1 A 8 8 GLU C C 8 177.082 177.105 -0.023 1
1 24 . 11 1 1 A 9 9 GLY N N 9 109.791 108.720 1.071 1
1 25 . 11 1 1 A 9 9 GLY H H 9 8.472 8.479 -0.007 1
1 26 . 11 1 1 A 9 9 GLY CA C 9 45.201 44.333 0.868 1
1 27 . 11 1 1 A 9 9 GLY HA2 H 9 3.962 4.169 -0.207 1
1 28 . 11 1 1 A 9 9 GLY HA3 H 9 3.962 4.170 -0.208 1
1 29 . 11 1 1 A 9 9 GLY C C 9 173.936 173.210 0.726 1
1 30 . 11 1 1 A 10 10 GLU N N 10 120.213 119.777 0.436 1
1 31 . 11 1 1 A 10 10 GLU H H 10 8.203 8.474 -0.271 1
1 32 . 11 1 1 A 10 10 GLU CA C 10 56.464 55.753 0.711 1
1 33 . 11 1 1 A 10 10 GLU HA H 10 4.280 4.632 -0.352 1
1 34 . 11 1 1 A 10 10 GLU CB C 10 30.387 31.507 -1.120 1
1 40 . 11 1 1 A 10 10 GLU C C 10 176.324 176.231 0.093 1
1 41 . 11 1 1 A 11 11 LYS N N 11 123.251 123.390 -0.139 1
1 42 . 11 1 1 A 11 11 LYS H H 11 8.292 8.814 -0.522 1
1 43 . 11 1 1 A 11 11 LYS CA C 11 54.057 53.565 0.492 1
1 44 . 11 1 1 A 11 11 LYS HA H 11 4.538 4.676 -0.138 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 32.749 32.261 0.488 1
1 57 . 11 1 1 A 12 12 PRO CA C 12 63.124 64.177 -1.053 1
1 58 . 11 1 1 A 12 12 PRO HA H 12 4.435 4.287 0.148 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.125 31.890 0.235 1
1 68 . 11 1 1 A 12 12 PRO C C 12 176.448 175.744 0.704 1
1 69 . 11 1 1 A 13 13 TYR N N 13 119.740 117.566 2.174 1
1 70 . 11 1 1 A 13 13 TYR H H 13 8.457 7.557 0.900 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.356 56.772 0.584 1
1 72 . 11 1 1 A 13 13 TYR HA H 13 4.537 5.191 -0.654 1
1 73 . 11 1 1 A 13 13 TYR CB C 13 38.918 41.384 -2.466 1
1 84 . 11 1 1 A 13 13 TYR C C 13 174.408 174.215 0.193 1
1 85 . 11 1 1 A 14 14 GLN N N 14 122.442 124.969 -2.527 1
1 86 . 11 1 1 A 14 14 GLN H H 14 8.482 9.024 -0.542 1
1 87 . 11 1 1 A 14 14 GLN CA C 14 54.562 54.554 0.008 1
1 88 . 11 1 1 A 14 14 GLN HA H 14 4.996 5.430 -0.434 1
1 89 . 11 1 1 A 14 14 GLN CB C 14 31.639 32.905 -1.266 1
1 98 . 11 1 1 A 14 14 GLN C C 14 175.180 174.398 0.782 1
1 99 . 11 1 1 A 15 15 CYS N N 15 128.228 126.333 1.895 1
1 100 . 11 1 1 A 15 15 CYS H H 15 9.319 9.475 -0.156 1
1 101 . 11 1 1 A 15 15 CYS CA C 15 59.809 59.047 0.762 1
1 102 . 11 1 1 A 15 15 CYS HA H 15 4.710 4.864 -0.154 1
1 103 . 11 1 1 A 15 15 CYS CB C 15 30.177 28.669 1.508 1
1 106 . 11 1 1 A 15 15 CYS C C 15 177.750 175.155 2.595 1
1 107 . 11 1 1 A 16 16 SER N N 16 128.171 123.404 4.767 1
1 108 . 11 1 1 A 16 16 SER H H 16 9.434 9.120 0.314 1
1 109 . 11 1 1 A 16 16 SER CA C 16 60.913 61.441 -0.528 1
1 110 . 11 1 1 A 16 16 SER HA H 16 4.299 4.169 0.130 1
1 111 . 11 1 1 A 16 16 SER CB C 16 63.126 62.712 0.414 1
1 114 . 11 1 1 A 16 16 SER C C 16 174.606 176.839 -2.233 1
1 115 . 11 1 1 A 17 17 GLU N N 17 124.574 120.558 4.016 1
1 116 . 11 1 1 A 17 17 GLU H H 17 9.028 8.018 1.010 1
1 117 . 11 1 1 A 17 17 GLU CA C 17 57.949 59.114 -1.165 1
1 118 . 11 1 1 A 17 17 GLU HA H 17 4.338 3.739 0.599 1
1 119 . 11 1 1 A 17 17 GLU CB C 17 29.942 28.482 1.460 1
1 125 . 11 1 1 A 17 17 GLU C C 17 177.060 177.809 -0.749 1
1 126 . 11 1 1 A 18 18 CYS N N 18 114.918 114.674 0.244 1
1 127 . 11 1 1 A 18 18 CYS H H 18 8.089 7.802 0.287 1
1 128 . 11 1 1 A 18 18 CYS CA C 18 58.331 59.670 -1.339 1
1 129 . 11 1 1 A 18 18 CYS HA H 18 5.177 4.670 0.507 1
1 130 . 11 1 1 A 18 18 CYS CB C 18 32.407 29.899 2.508 1
1 133 . 11 1 1 A 18 18 CYS C C 18 176.482 175.594 0.888 1
1 134 . 11 1 1 A 19 19 GLY N N 19 113.022 110.223 2.799 1
1 135 . 11 1 1 A 19 19 GLY H H 19 8.104 8.366 -0.262 1
1 136 . 11 1 1 A 19 19 GLY CA C 19 46.298 45.783 0.515 1
1 137 . 11 1 1 A 19 19 GLY HA2 H 19 3.856 4.058 -0.202 1
1 138 . 11 1 1 A 19 19 GLY HA3 H 19 4.240 4.075 0.165 1
1 139 . 11 1 1 A 19 19 GLY C C 19 173.951 173.999 -0.048 1
1 140 . 11 1 1 A 20 20 LYS N N 20 122.753 120.559 2.194 1
1 141 . 11 1 1 A 20 20 LYS H H 20 7.932 7.383 0.549 1
1 142 . 11 1 1 A 20 20 LYS CA C 20 57.933 54.820 3.113 1
1 143 . 11 1 1 A 20 20 LYS HA H 20 4.092 4.654 -0.562 1
1 144 . 11 1 1 A 20 20 LYS CB C 20 33.918 34.859 -0.941 1
1 156 . 11 1 1 A 20 20 LYS C C 20 174.553 174.423 0.130 1
1 157 . 11 1 1 A 21 21 SER N N 21 115.470 121.920 -6.450 1
1 158 . 11 1 1 A 21 21 SER H H 21 7.982 8.538 -0.556 1
1 159 . 11 1 1 A 21 21 SER CA C 21 57.450 57.380 0.070 1
1 160 . 11 1 1 A 21 21 SER HA H 21 5.207 5.175 0.032 1
1 161 . 11 1 1 A 21 21 SER CB C 21 65.453 64.212 1.241 1
1 164 . 11 1 1 A 21 21 SER C C 21 173.111 173.412 -0.301 1
1 165 . 11 1 1 A 22 22 PHE N N 22 119.199 125.207 -6.008 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.655 9.309 -0.654 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.484 56.266 1.218 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.682 5.142 -0.460 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 44.042 43.729 0.313 1
1 182 . 11 1 1 A 22 22 PHE C C 22 175.277 174.817 0.460 1
1 183 . 11 1 1 A 23 23 SER CA C 23 58.896 57.048 1.848 1
1 184 . 11 1 1 A 23 23 SER HA H 23 4.571 4.895 -0.324 1
1 185 . 11 1 1 A 23 23 SER CB C 23 63.524 64.119 -0.595 1
1 188 . 11 1 1 A 23 23 SER C C 23 174.297 173.282 1.015 1
1 189 . 11 1 1 A 24 24 GLY N N 24 109.456 110.231 -0.775 1
1 190 . 11 1 1 A 24 24 GLY H H 24 7.551 7.322 0.229 1
1 191 . 11 1 1 A 24 24 GLY CA C 24 44.838 45.559 -0.721 1
1 192 . 11 1 1 A 24 24 GLY HA2 H 24 4.047 3.905 0.142 1
1 193 . 11 1 1 A 24 24 GLY HA3 H 24 3.727 4.019 -0.292 1
1 194 . 11 1 1 A 24 24 GLY C C 24 172.500 174.206 -1.706 1
1 195 . 11 1 1 A 25 25 SER N N 25 115.599 119.670 -4.071 1
1 196 . 11 1 1 A 25 25 SER H H 25 8.260 8.609 -0.349 1
1 197 . 11 1 1 A 25 25 SER CA C 25 60.846 61.620 -0.774 1
1 198 . 11 1 1 A 25 25 SER HA H 25 3.496 3.452 0.044 1
1 199 . 11 1 1 A 25 25 SER CB C 25 62.665 62.335 0.330 1
1 202 . 11 1 1 A 25 25 SER C C 25 176.919 175.711 1.208 1
1 203 . 11 1 1 A 26 26 TYR CA C 26 61.467 61.462 0.005 1
1 204 . 11 1 1 A 26 26 TYR HA H 26 4.248 3.945 0.303 1
1 205 . 11 1 1 A 26 26 TYR CB C 26 37.421 38.373 -0.952 1
1 216 . 11 1 1 A 26 26 TYR C C 26 177.866 177.388 0.478 1
1 217 . 11 1 1 A 27 27 ARG N N 27 118.122 118.888 -0.766 1
1 218 . 11 1 1 A 27 27 ARG H H 27 8.045 8.126 -0.081 1
1 219 . 11 1 1 A 27 27 ARG CA C 27 58.511 59.138 -0.627 1
1 220 . 11 1 1 A 27 27 ARG HA H 27 3.782 4.103 -0.321 1
1 221 . 11 1 1 A 27 27 ARG CB C 27 29.795 30.171 -0.376 1
1 230 . 11 1 1 A 27 27 ARG C C 27 179.215 178.024 1.191 1
1 231 . 11 1 1 A 28 28 LEU N N 28 120.580 120.215 0.365 1
1 232 . 11 1 1 A 28 28 LEU H H 28 7.278 8.007 -0.729 1
1 233 . 11 1 1 A 28 28 LEU CA C 28 58.166 57.733 0.433 1
1 234 . 11 1 1 A 28 28 LEU HA H 28 3.418 3.158 0.260 1
1 235 . 11 1 1 A 28 28 LEU CB C 28 40.627 41.507 -0.880 1
1 248 . 11 1 1 A 28 28 LEU C C 28 177.435 178.262 -0.827 1
1 249 . 11 1 1 A 29 29 THR N N 29 116.295 114.031 2.264 1
1 250 . 11 1 1 A 29 29 THR H H 29 8.312 7.855 0.457 1
1 251 . 11 1 1 A 29 29 THR CA C 29 66.882 66.681 0.201 1
1 252 . 11 1 1 A 29 29 THR HA H 29 3.772 3.622 0.150 1
1 253 . 11 1 1 A 29 29 THR CB C 29 68.537 68.334 0.203 1
1 259 . 11 1 1 A 29 29 THR C C 29 176.805 176.347 0.458 1
1 260 . 11 1 1 A 30 30 GLN N N 30 118.689 119.444 -0.755 1
1 261 . 11 1 1 A 30 30 GLN H H 30 7.785 8.063 -0.278 1
1 262 . 11 1 1 A 30 30 GLN CA C 30 58.073 59.113 -1.040 1
1 263 . 11 1 1 A 30 30 GLN HA H 30 3.872 3.929 -0.057 1
1 264 . 11 1 1 A 30 30 GLN CB C 30 28.779 28.269 0.510 1
1 273 . 11 1 1 A 30 30 GLN C C 30 178.292 178.633 -0.341 1
1 274 . 11 1 1 A 31 31 HIS N N 31 118.694 119.215 -0.521 1
1 275 . 11 1 1 A 31 31 HIS H H 31 7.558 7.847 -0.289 1
1 276 . 11 1 1 A 31 31 HIS CA C 31 58.746 59.131 -0.385 1
1 277 . 11 1 1 A 31 31 HIS HA H 31 4.210 4.364 -0.154 1
1 278 . 11 1 1 A 31 31 HIS CB C 31 27.916 30.383 -2.467 1
1 285 . 11 1 1 A 31 31 HIS C C 31 177.522 177.030 0.492 1
1 286 . 11 1 1 A 32 32 TRP N N 32 122.468 118.610 3.858 1
1 287 . 11 1 1 A 32 32 TRP H H 32 8.802 8.676 0.126 1
1 288 . 11 1 1 A 32 32 TRP CA C 32 61.090 60.316 0.774 1
1 289 . 11 1 1 A 32 32 TRP HA H 32 4.042 4.413 -0.371 1
1 290 . 11 1 1 A 32 32 TRP CB C 32 29.312 29.274 0.038 1
1 305 . 11 1 1 A 32 32 TRP C C 32 177.947 178.708 -0.761 1
1 306 . 11 1 1 A 33 33 ILE N N 33 116.053 120.604 -4.551 1
1 307 . 11 1 1 A 33 33 ILE H H 33 7.288 8.004 -0.716 1
1 308 . 11 1 1 A 33 33 ILE CA C 33 63.891 65.486 -1.595 1
1 309 . 11 1 1 A 33 33 ILE HA H 33 3.827 4.049 -0.222 1
1 310 . 11 1 1 A 33 33 ILE CB C 33 38.065 37.681 0.384 1
1 323 . 11 1 1 A 33 33 ILE C C 33 177.979 177.767 0.212 1
1 324 . 11 1 1 A 34 34 THR N N 34 111.457 114.557 -3.100 1
1 325 . 11 1 1 A 34 34 THR H H 34 7.640 8.325 -0.685 1
1 326 . 11 1 1 A 34 34 THR CA C 34 64.307 65.406 -1.099 1
1 327 . 11 1 1 A 34 34 THR HA H 34 3.990 3.802 0.188 1
1 328 . 11 1 1 A 34 34 THR CB C 34 69.088 68.428 0.660 1
1 334 . 11 1 1 A 34 34 THR C C 34 175.690 176.371 -0.681 1
1 335 . 11 1 1 A 35 35 HIS N N 35 118.326 117.239 1.087 1
1 336 . 11 1 1 A 35 35 HIS H H 35 7.247 7.855 -0.608 1
1 337 . 11 1 1 A 35 35 HIS CA C 35 55.628 59.522 -3.894 1
1 338 . 11 1 1 A 35 35 HIS HA H 35 4.735 4.260 0.475 1
1 339 . 11 1 1 A 35 35 HIS CB C 35 28.391 30.264 -1.873 1
1 346 . 11 1 1 A 35 35 HIS C C 35 175.573 177.570 -1.997 1
1 347 . 11 1 1 A 36 36 THR N N 36 113.348 114.324 -0.976 1
1 348 . 11 1 1 A 36 36 THR H H 36 7.747 7.841 -0.094 1
1 349 . 11 1 1 A 36 36 THR CA C 36 62.742 66.372 -3.630 1
1 350 . 11 1 1 A 36 36 THR HA H 36 4.251 3.939 0.312 1
1 351 . 11 1 1 A 36 36 THR CB C 36 69.711 68.822 0.889 1
1 357 . 11 1 1 A 36 36 THR C C 36 174.653 175.022 -0.369 1
1 358 . 11 1 1 A 37 37 ARG N N 37 122.448 117.825 4.623 1
1 359 . 11 1 1 A 37 37 ARG H H 37 8.143 7.212 0.931 1
1 360 . 11 1 1 A 37 37 ARG CA C 37 56.220 55.150 1.070 1
1 361 . 11 1 1 A 37 37 ARG HA H 37 4.335 4.798 -0.463 1
1 362 . 11 1 1 A 37 37 ARG CB C 37 30.719 31.854 -1.135 1
1 371 . 11 1 1 A 37 37 ARG C C 37 176.124 175.316 0.808 1
1 372 . 11 1 1 A 38 38 GLU N N 38 121.219 125.602 -4.383 1
1 373 . 11 1 1 A 38 38 GLU H H 38 8.216 8.965 -0.749 1
1 374 . 11 1 1 A 38 38 GLU CA C 38 56.497 55.635 0.862 1
1 375 . 11 1 1 A 38 38 GLU HA H 38 4.255 4.622 -0.367 1
1 376 . 11 1 1 A 38 38 GLU CB C 38 30.410 29.010 1.400 1
1 382 . 11 1 1 A 38 38 GLU C C 38 176.132 175.447 0.685 1
1 383 . 11 1 1 A 39 39 LYS N N 39 123.433 123.585 -0.152 1
1 384 . 11 1 1 A 39 39 LYS H H 39 8.290 8.099 0.191 1
1 385 . 11 1 1 A 39 39 LYS CA C 39 54.206 53.074 1.132 1
1 386 . 11 1 1 A 39 39 LYS HA H 39 4.575 4.801 -0.226 1
1 387 . 11 1 1 A 39 39 LYS CB C 39 32.516 35.595 -3.079 1
1 396 . 11 1 1 A 39 39 LYS C C 39 174.396 173.617 0.779 1
1 397 . 11 1 1 A 40 40 PRO CA C 40 63.205 62.458 0.747 1
1 398 . 11 1 1 A 40 40 PRO HA H 40 4.463 4.493 -0.030 1
1 399 . 11 1 1 A 40 40 PRO CB C 40 32.160 32.375 -0.215 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.504 57.524 0.980 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.481 4.973 -0.492 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.922 64.589 -0.667 1
1 6 . 12 1 1 A 6 6 SER C C 6 175.079 174.031 1.048 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.906 112.624 -1.718 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.456 8.669 -0.213 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.320 46.734 -1.414 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 3.980 3.917 0.063 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 3.980 3.919 0.061 1
1 12 . 12 1 1 A 7 7 GLY C C 7 174.337 175.294 -0.957 1
1 13 . 12 1 1 A 8 8 GLU N N 8 120.775 119.236 1.539 1
1 14 . 12 1 1 A 8 8 GLU H H 8 8.343 8.272 0.071 1
1 15 . 12 1 1 A 8 8 GLU CA C 8 56.857 57.427 -0.570 1
1 16 . 12 1 1 A 8 8 GLU HA H 8 4.297 3.919 0.378 1
1 17 . 12 1 1 A 8 8 GLU CB C 8 30.354 28.611 1.743 1
1 23 . 12 1 1 A 8 8 GLU C C 8 177.082 175.681 1.401 1
1 24 . 12 1 1 A 9 9 GLY N N 9 109.791 105.708 4.083 1
1 25 . 12 1 1 A 9 9 GLY H H 9 8.472 8.617 -0.145 1
1 26 . 12 1 1 A 9 9 GLY CA C 9 45.201 44.703 0.498 1
1 27 . 12 1 1 A 9 9 GLY HA2 H 9 3.962 4.082 -0.120 1
1 28 . 12 1 1 A 9 9 GLY HA3 H 9 3.962 4.084 -0.122 1
1 29 . 12 1 1 A 9 9 GLY C C 9 173.936 173.264 0.672 1
1 30 . 12 1 1 A 10 10 GLU N N 10 120.213 121.372 -1.159 1
1 31 . 12 1 1 A 10 10 GLU H H 10 8.203 8.552 -0.349 1
1 32 . 12 1 1 A 10 10 GLU CA C 10 56.464 55.744 0.720 1
1 33 . 12 1 1 A 10 10 GLU HA H 10 4.280 4.931 -0.651 1
1 34 . 12 1 1 A 10 10 GLU CB C 10 30.387 31.207 -0.820 1
1 40 . 12 1 1 A 10 10 GLU C C 10 176.324 175.632 0.692 1
1 41 . 12 1 1 A 11 11 LYS N N 11 123.251 122.524 0.727 1
1 42 . 12 1 1 A 11 11 LYS H H 11 8.292 8.704 -0.412 1
1 43 . 12 1 1 A 11 11 LYS CA C 11 54.057 52.897 1.160 1
1 44 . 12 1 1 A 11 11 LYS HA H 11 4.538 4.862 -0.324 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 32.749 34.035 -1.286 1
1 57 . 12 1 1 A 12 12 PRO CA C 12 63.124 64.199 -1.075 1
1 58 . 12 1 1 A 12 12 PRO HA H 12 4.435 4.535 -0.100 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.125 31.646 0.479 1
1 68 . 12 1 1 A 12 12 PRO C C 12 176.448 175.953 0.495 1
1 69 . 12 1 1 A 13 13 TYR N N 13 119.740 118.416 1.324 1
1 70 . 12 1 1 A 13 13 TYR H H 13 8.457 8.154 0.303 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.356 57.057 0.299 1
1 72 . 12 1 1 A 13 13 TYR HA H 13 4.537 4.829 -0.292 1
1 73 . 12 1 1 A 13 13 TYR CB C 13 38.918 37.097 1.821 1
1 84 . 12 1 1 A 13 13 TYR C C 13 174.408 175.220 -0.812 1
1 85 . 12 1 1 A 14 14 GLN N N 14 122.442 121.645 0.797 1
1 86 . 12 1 1 A 14 14 GLN H H 14 8.482 7.702 0.780 1
1 87 . 12 1 1 A 14 14 GLN CA C 14 54.562 55.277 -0.715 1
1 88 . 12 1 1 A 14 14 GLN HA H 14 4.996 5.097 -0.101 1
1 89 . 12 1 1 A 14 14 GLN CB C 14 31.639 30.308 1.331 1
1 98 . 12 1 1 A 14 14 GLN C C 14 175.180 175.974 -0.794 1
1 99 . 12 1 1 A 15 15 CYS N N 15 128.228 125.155 3.073 1
1 100 . 12 1 1 A 15 15 CYS H H 15 9.319 9.389 -0.070 1
1 101 . 12 1 1 A 15 15 CYS CA C 15 59.809 59.185 0.624 1
1 102 . 12 1 1 A 15 15 CYS HA H 15 4.710 4.917 -0.207 1
1 103 . 12 1 1 A 15 15 CYS CB C 15 30.177 28.281 1.896 1
1 106 . 12 1 1 A 15 15 CYS C C 15 177.750 175.577 2.173 1
1 107 . 12 1 1 A 16 16 SER N N 16 128.171 123.277 4.894 1
1 108 . 12 1 1 A 16 16 SER H H 16 9.434 9.154 0.280 1
1 109 . 12 1 1 A 16 16 SER CA C 16 60.913 57.867 3.046 1
1 110 . 12 1 1 A 16 16 SER HA H 16 4.299 4.636 -0.337 1
1 111 . 12 1 1 A 16 16 SER CB C 16 63.126 62.093 1.033 1
1 114 . 12 1 1 A 16 16 SER C C 16 174.606 175.177 -0.571 1
1 115 . 12 1 1 A 17 17 GLU N N 17 124.574 121.900 2.674 1
1 116 . 12 1 1 A 17 17 GLU H H 17 9.028 7.526 1.502 1
1 117 . 12 1 1 A 17 17 GLU CA C 17 57.949 56.793 1.156 1
1 118 . 12 1 1 A 17 17 GLU HA H 17 4.338 4.344 -0.006 1
1 119 . 12 1 1 A 17 17 GLU CB C 17 29.942 31.902 -1.960 1
1 125 . 12 1 1 A 17 17 GLU C C 17 177.060 177.528 -0.468 1
1 126 . 12 1 1 A 18 18 CYS N N 18 114.918 114.910 0.008 1
1 127 . 12 1 1 A 18 18 CYS H H 18 8.089 7.591 0.498 1
1 128 . 12 1 1 A 18 18 CYS CA C 18 58.331 59.366 -1.035 1
1 129 . 12 1 1 A 18 18 CYS HA H 18 5.177 4.658 0.519 1
1 130 . 12 1 1 A 18 18 CYS CB C 18 32.407 30.268 2.139 1
1 133 . 12 1 1 A 18 18 CYS C C 18 176.482 175.545 0.937 1
1 134 . 12 1 1 A 19 19 GLY N N 19 113.022 109.131 3.891 1
1 135 . 12 1 1 A 19 19 GLY H H 19 8.104 8.244 -0.140 1
1 136 . 12 1 1 A 19 19 GLY CA C 19 46.298 45.949 0.349 1
1 137 . 12 1 1 A 19 19 GLY HA2 H 19 3.856 4.040 -0.184 1
1 138 . 12 1 1 A 19 19 GLY HA3 H 19 4.240 4.054 0.186 1
1 139 . 12 1 1 A 19 19 GLY C C 19 173.951 174.095 -0.144 1
1 140 . 12 1 1 A 20 20 LYS N N 20 122.753 120.413 2.340 1
1 141 . 12 1 1 A 20 20 LYS H H 20 7.932 8.098 -0.166 1
1 142 . 12 1 1 A 20 20 LYS CA C 20 57.933 54.339 3.594 1
1 143 . 12 1 1 A 20 20 LYS HA H 20 4.092 4.899 -0.807 1
1 144 . 12 1 1 A 20 20 LYS CB C 20 33.918 36.558 -2.640 1
1 156 . 12 1 1 A 20 20 LYS C C 20 174.553 174.842 -0.289 1
1 157 . 12 1 1 A 21 21 SER N N 21 115.470 113.771 1.699 1
1 158 . 12 1 1 A 21 21 SER H H 21 7.982 8.877 -0.895 1
1 159 . 12 1 1 A 21 21 SER CA C 21 57.450 55.849 1.601 1
1 160 . 12 1 1 A 21 21 SER HA H 21 5.207 5.753 -0.546 1
1 161 . 12 1 1 A 21 21 SER CB C 21 65.453 66.117 -0.664 1
1 164 . 12 1 1 A 21 21 SER C C 21 173.111 173.373 -0.262 1
1 165 . 12 1 1 A 22 22 PHE N N 22 119.199 120.084 -0.885 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.655 9.204 -0.549 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.484 56.312 1.172 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.682 5.118 -0.436 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 44.042 44.283 -0.241 1
1 182 . 12 1 1 A 22 22 PHE C C 22 175.277 174.301 0.976 1
1 183 . 12 1 1 A 23 23 SER CA C 23 58.896 56.669 2.227 1
1 184 . 12 1 1 A 23 23 SER HA H 23 4.571 4.581 -0.010 1
1 185 . 12 1 1 A 23 23 SER CB C 23 63.524 63.717 -0.193 1
1 188 . 12 1 1 A 23 23 SER C C 23 174.297 172.969 1.328 1
1 189 . 12 1 1 A 24 24 GLY N N 24 109.456 115.228 -5.772 1
1 190 . 12 1 1 A 24 24 GLY H H 24 7.551 7.550 0.001 1
1 191 . 12 1 1 A 24 24 GLY CA C 24 44.838 44.834 0.004 1
1 192 . 12 1 1 A 24 24 GLY HA2 H 24 4.047 3.816 0.231 1
1 193 . 12 1 1 A 24 24 GLY HA3 H 24 3.727 4.102 -0.375 1
1 194 . 12 1 1 A 24 24 GLY C C 24 172.500 174.670 -2.170 1
1 195 . 12 1 1 A 25 25 SER N N 25 115.599 117.748 -2.149 1
1 196 . 12 1 1 A 25 25 SER H H 25 8.260 9.142 -0.882 1
1 197 . 12 1 1 A 25 25 SER CA C 25 60.846 62.788 -1.942 1
1 198 . 12 1 1 A 25 25 SER HA H 25 3.496 4.305 -0.809 1
1 199 . 12 1 1 A 25 25 SER CB C 25 62.665 62.997 -0.332 1
1 202 . 12 1 1 A 25 25 SER C C 25 176.919 176.151 0.768 1
1 203 . 12 1 1 A 26 26 TYR CA C 26 61.467 62.020 -0.553 1
1 204 . 12 1 1 A 26 26 TYR HA H 26 4.248 3.986 0.262 1
1 205 . 12 1 1 A 26 26 TYR CB C 26 37.421 38.674 -1.253 1
1 216 . 12 1 1 A 26 26 TYR C C 26 177.866 177.290 0.576 1
1 217 . 12 1 1 A 27 27 ARG N N 27 118.122 118.998 -0.876 1
1 218 . 12 1 1 A 27 27 ARG H H 27 8.045 8.180 -0.135 1
1 219 . 12 1 1 A 27 27 ARG CA C 27 58.511 59.153 -0.642 1
1 220 . 12 1 1 A 27 27 ARG HA H 27 3.782 3.743 0.039 1
1 221 . 12 1 1 A 27 27 ARG CB C 27 29.795 30.140 -0.345 1
1 230 . 12 1 1 A 27 27 ARG C C 27 179.215 178.006 1.209 1
1 231 . 12 1 1 A 28 28 LEU N N 28 120.580 120.010 0.570 1
1 232 . 12 1 1 A 28 28 LEU H H 28 7.278 7.934 -0.656 1
1 233 . 12 1 1 A 28 28 LEU CA C 28 58.166 57.683 0.483 1
1 234 . 12 1 1 A 28 28 LEU HA H 28 3.418 2.987 0.431 1
1 235 . 12 1 1 A 28 28 LEU CB C 28 40.627 41.596 -0.969 1
1 248 . 12 1 1 A 28 28 LEU C C 28 177.435 178.237 -0.802 1
1 249 . 12 1 1 A 29 29 THR N N 29 116.295 113.946 2.349 1
1 250 . 12 1 1 A 29 29 THR H H 29 8.312 7.768 0.544 1
1 251 . 12 1 1 A 29 29 THR CA C 29 66.882 66.391 0.491 1
1 252 . 12 1 1 A 29 29 THR HA H 29 3.772 3.585 0.187 1
1 253 . 12 1 1 A 29 29 THR CB C 29 68.537 68.296 0.241 1
1 259 . 12 1 1 A 29 29 THR C C 29 176.805 176.484 0.321 1
1 260 . 12 1 1 A 30 30 GLN N N 30 118.689 117.806 0.883 1
1 261 . 12 1 1 A 30 30 GLN H H 30 7.785 7.809 -0.024 1
1 262 . 12 1 1 A 30 30 GLN CA C 30 58.073 59.061 -0.988 1
1 263 . 12 1 1 A 30 30 GLN HA H 30 3.872 3.856 0.016 1
1 264 . 12 1 1 A 30 30 GLN CB C 30 28.779 27.965 0.814 1
1 273 . 12 1 1 A 30 30 GLN C C 30 178.292 178.596 -0.304 1
1 274 . 12 1 1 A 31 31 HIS N N 31 118.694 119.669 -0.975 1
1 275 . 12 1 1 A 31 31 HIS H H 31 7.558 7.576 -0.018 1
1 276 . 12 1 1 A 31 31 HIS CA C 31 58.746 59.259 -0.513 1
1 277 . 12 1 1 A 31 31 HIS HA H 31 4.210 4.268 -0.058 1
1 278 . 12 1 1 A 31 31 HIS CB C 31 27.916 29.520 -1.604 1
1 285 . 12 1 1 A 31 31 HIS C C 31 177.522 176.927 0.595 1
1 286 . 12 1 1 A 32 32 TRP N N 32 122.468 119.160 3.308 1
1 287 . 12 1 1 A 32 32 TRP H H 32 8.802 8.210 0.592 1
1 288 . 12 1 1 A 32 32 TRP CA C 32 61.090 59.830 1.260 1
1 289 . 12 1 1 A 32 32 TRP HA H 32 4.042 4.221 -0.179 1
1 290 . 12 1 1 A 32 32 TRP CB C 32 29.312 29.116 0.196 1
1 305 . 12 1 1 A 32 32 TRP C C 32 177.947 179.067 -1.120 1
1 306 . 12 1 1 A 33 33 ILE N N 33 116.053 120.519 -4.466 1
1 307 . 12 1 1 A 33 33 ILE H H 33 7.288 8.160 -0.872 1
1 308 . 12 1 1 A 33 33 ILE CA C 33 63.891 65.031 -1.140 1
1 309 . 12 1 1 A 33 33 ILE HA H 33 3.827 3.672 0.155 1
1 310 . 12 1 1 A 33 33 ILE CB C 33 38.065 37.293 0.772 1
1 323 . 12 1 1 A 33 33 ILE C C 33 177.979 178.219 -0.240 1
1 324 . 12 1 1 A 34 34 THR N N 34 111.457 112.519 -1.062 1
1 325 . 12 1 1 A 34 34 THR H H 34 7.640 7.648 -0.008 1
1 326 . 12 1 1 A 34 34 THR CA C 34 64.307 64.611 -0.304 1
1 327 . 12 1 1 A 34 34 THR HA H 34 3.990 3.978 0.012 1
1 328 . 12 1 1 A 34 34 THR CB C 34 69.088 68.487 0.601 1
1 334 . 12 1 1 A 34 34 THR C C 34 175.690 175.885 -0.195 1
1 335 . 12 1 1 A 35 35 HIS N N 35 118.326 119.710 -1.384 1
1 336 . 12 1 1 A 35 35 HIS H H 35 7.247 7.697 -0.450 1
1 337 . 12 1 1 A 35 35 HIS CA C 35 55.628 58.132 -2.504 1
1 338 . 12 1 1 A 35 35 HIS HA H 35 4.735 4.402 0.333 1
1 339 . 12 1 1 A 35 35 HIS CB C 35 28.391 30.905 -2.514 1
1 346 . 12 1 1 A 35 35 HIS C C 35 175.573 177.356 -1.783 1
1 347 . 12 1 1 A 36 36 THR N N 36 113.348 114.305 -0.957 1
1 348 . 12 1 1 A 36 36 THR H H 36 7.747 7.554 0.193 1
1 349 . 12 1 1 A 36 36 THR CA C 36 62.742 64.164 -1.422 1
1 350 . 12 1 1 A 36 36 THR HA H 36 4.251 4.103 0.148 1
1 351 . 12 1 1 A 36 36 THR CB C 36 69.711 69.240 0.471 1
1 357 . 12 1 1 A 36 36 THR C C 36 174.653 174.335 0.318 1
1 358 . 12 1 1 A 37 37 ARG N N 37 122.448 120.699 1.749 1
1 359 . 12 1 1 A 37 37 ARG H H 37 8.143 8.001 0.142 1
1 360 . 12 1 1 A 37 37 ARG CA C 37 56.220 54.225 1.995 1
1 361 . 12 1 1 A 37 37 ARG HA H 37 4.335 4.768 -0.433 1
1 362 . 12 1 1 A 37 37 ARG CB C 37 30.719 31.777 -1.058 1
1 371 . 12 1 1 A 37 37 ARG C C 37 176.124 175.683 0.441 1
1 372 . 12 1 1 A 38 38 GLU N N 38 121.219 120.711 0.508 1
1 373 . 12 1 1 A 38 38 GLU H H 38 8.216 8.587 -0.371 1
1 374 . 12 1 1 A 38 38 GLU CA C 38 56.497 55.511 0.986 1
1 375 . 12 1 1 A 38 38 GLU HA H 38 4.255 4.614 -0.359 1
1 376 . 12 1 1 A 38 38 GLU CB C 38 30.410 29.478 0.932 1
1 382 . 12 1 1 A 38 38 GLU C C 38 176.132 175.332 0.800 1
1 383 . 12 1 1 A 39 39 LYS N N 39 123.433 123.504 -0.071 1
1 384 . 12 1 1 A 39 39 LYS H H 39 8.290 7.927 0.363 1
1 385 . 12 1 1 A 39 39 LYS CA C 39 54.206 52.803 1.403 1
1 386 . 12 1 1 A 39 39 LYS HA H 39 4.575 4.764 -0.189 1
1 387 . 12 1 1 A 39 39 LYS CB C 39 32.516 33.989 -1.473 1
1 396 . 12 1 1 A 39 39 LYS C C 39 174.396 173.980 0.416 1
1 397 . 12 1 1 A 40 40 PRO CA C 40 63.205 62.603 0.602 1
1 398 . 12 1 1 A 40 40 PRO HA H 40 4.463 4.656 -0.193 1
1 399 . 12 1 1 A 40 40 PRO CB C 40 32.160 31.505 0.655 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.504 56.770 1.734 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.481 4.718 -0.237 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.922 64.176 -0.254 1
1 6 . 13 1 1 A 6 6 SER C C 6 175.079 174.516 0.563 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.906 117.154 -6.248 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.456 8.940 -0.484 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.320 46.260 -0.940 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 3.980 3.811 0.169 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 3.980 3.811 0.169 1
1 12 . 13 1 1 A 7 7 GLY C C 7 174.337 173.303 1.034 1
1 13 . 13 1 1 A 8 8 GLU N N 8 120.775 116.936 3.839 1
1 14 . 13 1 1 A 8 8 GLU H H 8 8.343 8.374 -0.031 1
1 15 . 13 1 1 A 8 8 GLU CA C 8 56.857 55.142 1.715 1
1 16 . 13 1 1 A 8 8 GLU HA H 8 4.297 5.019 -0.722 1
1 17 . 13 1 1 A 8 8 GLU CB C 8 30.354 32.730 -2.376 1
1 23 . 13 1 1 A 8 8 GLU C C 8 177.082 174.896 2.186 1
1 24 . 13 1 1 A 9 9 GLY N N 9 109.791 107.794 1.997 1
1 25 . 13 1 1 A 9 9 GLY H H 9 8.472 8.504 -0.032 1
1 26 . 13 1 1 A 9 9 GLY CA C 9 45.201 45.385 -0.184 1
1 27 . 13 1 1 A 9 9 GLY HA2 H 9 3.962 4.165 -0.203 1
1 28 . 13 1 1 A 9 9 GLY HA3 H 9 3.962 4.168 -0.206 1
1 29 . 13 1 1 A 9 9 GLY C C 9 173.936 173.020 0.916 1
1 30 . 13 1 1 A 10 10 GLU N N 10 120.213 123.768 -3.555 1
1 31 . 13 1 1 A 10 10 GLU H H 10 8.203 8.692 -0.489 1
1 32 . 13 1 1 A 10 10 GLU CA C 10 56.464 56.221 0.243 1
1 33 . 13 1 1 A 10 10 GLU HA H 10 4.280 4.470 -0.190 1
1 34 . 13 1 1 A 10 10 GLU CB C 10 30.387 29.944 0.443 1
1 40 . 13 1 1 A 10 10 GLU C C 10 176.324 175.825 0.499 1
1 41 . 13 1 1 A 11 11 LYS N N 11 123.251 123.260 -0.009 1
1 42 . 13 1 1 A 11 11 LYS H H 11 8.292 8.548 -0.256 1
1 43 . 13 1 1 A 11 11 LYS CA C 11 54.057 52.787 1.270 1
1 44 . 13 1 1 A 11 11 LYS HA H 11 4.538 4.766 -0.228 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 32.749 33.904 -1.155 1
1 57 . 13 1 1 A 12 12 PRO CA C 12 63.124 64.360 -1.236 1
1 58 . 13 1 1 A 12 12 PRO HA H 12 4.435 4.316 0.119 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.125 31.493 0.632 1
1 68 . 13 1 1 A 12 12 PRO C C 12 176.448 175.829 0.619 1
1 69 . 13 1 1 A 13 13 TYR N N 13 119.740 118.044 1.696 1
1 70 . 13 1 1 A 13 13 TYR H H 13 8.457 7.772 0.685 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.356 56.912 0.444 1
1 72 . 13 1 1 A 13 13 TYR HA H 13 4.537 4.807 -0.270 1
1 73 . 13 1 1 A 13 13 TYR CB C 13 38.918 36.729 2.189 1
1 84 . 13 1 1 A 13 13 TYR C C 13 174.408 174.307 0.101 1
1 85 . 13 1 1 A 14 14 GLN N N 14 122.442 125.466 -3.024 1
1 86 . 13 1 1 A 14 14 GLN H H 14 8.482 8.769 -0.287 1
1 87 . 13 1 1 A 14 14 GLN CA C 14 54.562 54.190 0.372 1
1 88 . 13 1 1 A 14 14 GLN HA H 14 4.996 4.955 0.041 1
1 89 . 13 1 1 A 14 14 GLN CB C 14 31.639 31.889 -0.250 1
1 98 . 13 1 1 A 14 14 GLN C C 14 175.180 174.808 0.372 1
1 99 . 13 1 1 A 15 15 CYS N N 15 128.228 126.875 1.353 1
1 100 . 13 1 1 A 15 15 CYS H H 15 9.319 8.988 0.331 1
1 101 . 13 1 1 A 15 15 CYS CA C 15 59.809 59.708 0.101 1
1 102 . 13 1 1 A 15 15 CYS HA H 15 4.710 4.774 -0.064 1
1 103 . 13 1 1 A 15 15 CYS CB C 15 30.177 28.698 1.479 1
1 106 . 13 1 1 A 15 15 CYS C C 15 177.750 175.769 1.981 1
1 107 . 13 1 1 A 16 16 SER N N 16 128.171 124.197 3.974 1
1 108 . 13 1 1 A 16 16 SER H H 16 9.434 9.176 0.258 1
1 109 . 13 1 1 A 16 16 SER CA C 16 60.913 62.053 -1.140 1
1 110 . 13 1 1 A 16 16 SER HA H 16 4.299 4.088 0.211 1
1 111 . 13 1 1 A 16 16 SER CB C 16 63.126 62.792 0.334 1
1 114 . 13 1 1 A 16 16 SER C C 16 174.606 176.435 -1.829 1
1 115 . 13 1 1 A 17 17 GLU N N 17 124.574 121.199 3.375 1
1 116 . 13 1 1 A 17 17 GLU H H 17 9.028 8.135 0.893 1
1 117 . 13 1 1 A 17 17 GLU CA C 17 57.949 59.319 -1.370 1
1 118 . 13 1 1 A 17 17 GLU HA H 17 4.338 3.830 0.508 1
1 119 . 13 1 1 A 17 17 GLU CB C 17 29.942 28.970 0.972 1
1 125 . 13 1 1 A 17 17 GLU C C 17 177.060 178.041 -0.981 1
1 126 . 13 1 1 A 18 18 CYS N N 18 114.918 114.765 0.153 1
1 127 . 13 1 1 A 18 18 CYS H H 18 8.089 7.865 0.224 1
1 128 . 13 1 1 A 18 18 CYS CA C 18 58.331 59.626 -1.295 1
1 129 . 13 1 1 A 18 18 CYS HA H 18 5.177 4.584 0.593 1
1 130 . 13 1 1 A 18 18 CYS CB C 18 32.407 29.971 2.436 1
1 133 . 13 1 1 A 18 18 CYS C C 18 176.482 175.459 1.023 1
1 134 . 13 1 1 A 19 19 GLY N N 19 113.022 110.131 2.891 1
1 135 . 13 1 1 A 19 19 GLY H H 19 8.104 8.322 -0.218 1
1 136 . 13 1 1 A 19 19 GLY CA C 19 46.298 45.704 0.594 1
1 137 . 13 1 1 A 19 19 GLY HA2 H 19 3.856 4.012 -0.156 1
1 138 . 13 1 1 A 19 19 GLY HA3 H 19 4.240 4.020 0.220 1
1 139 . 13 1 1 A 19 19 GLY C C 19 173.951 174.064 -0.113 1
1 140 . 13 1 1 A 20 20 LYS N N 20 122.753 119.372 3.381 1
1 141 . 13 1 1 A 20 20 LYS H H 20 7.932 7.437 0.495 1
1 142 . 13 1 1 A 20 20 LYS CA C 20 57.933 54.314 3.619 1
1 143 . 13 1 1 A 20 20 LYS HA H 20 4.092 4.518 -0.426 1
1 144 . 13 1 1 A 20 20 LYS CB C 20 33.918 34.888 -0.970 1
1 156 . 13 1 1 A 20 20 LYS C C 20 174.553 173.976 0.577 1
1 157 . 13 1 1 A 21 21 SER N N 21 115.470 119.221 -3.751 1
1 158 . 13 1 1 A 21 21 SER H H 21 7.982 8.383 -0.401 1
1 159 . 13 1 1 A 21 21 SER CA C 21 57.450 56.336 1.114 1
1 160 . 13 1 1 A 21 21 SER HA H 21 5.207 4.987 0.220 1
1 161 . 13 1 1 A 21 21 SER CB C 21 65.453 64.990 0.463 1
1 164 . 13 1 1 A 21 21 SER C C 21 173.111 173.404 -0.293 1
1 165 . 13 1 1 A 22 22 PHE N N 22 119.199 123.868 -4.669 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.655 8.663 -0.008 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.484 56.582 0.902 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.682 4.942 -0.260 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 44.042 43.974 0.068 1
1 182 . 13 1 1 A 22 22 PHE C C 22 175.277 174.647 0.630 1
1 183 . 13 1 1 A 23 23 SER CA C 23 58.896 57.234 1.662 1
1 184 . 13 1 1 A 23 23 SER HA H 23 4.571 4.926 -0.355 1
1 185 . 13 1 1 A 23 23 SER CB C 23 63.524 63.126 0.398 1
1 188 . 13 1 1 A 23 23 SER C C 23 174.297 174.106 0.191 1
1 189 . 13 1 1 A 24 24 GLY N N 24 109.456 109.460 -0.004 1
1 190 . 13 1 1 A 24 24 GLY H H 24 7.551 7.365 0.186 1
1 191 . 13 1 1 A 24 24 GLY CA C 24 44.838 45.628 -0.790 1
1 192 . 13 1 1 A 24 24 GLY HA2 H 24 4.047 3.893 0.154 1
1 193 . 13 1 1 A 24 24 GLY HA3 H 24 3.727 3.984 -0.257 1
1 194 . 13 1 1 A 24 24 GLY C C 24 172.500 173.552 -1.052 1
1 195 . 13 1 1 A 25 25 SER N N 25 115.599 115.020 0.579 1
1 196 . 13 1 1 A 25 25 SER H H 25 8.260 8.537 -0.277 1
1 197 . 13 1 1 A 25 25 SER CA C 25 60.846 61.182 -0.336 1
1 198 . 13 1 1 A 25 25 SER HA H 25 3.496 3.624 -0.128 1
1 199 . 13 1 1 A 25 25 SER CB C 25 62.665 62.579 0.086 1
1 202 . 13 1 1 A 25 25 SER C C 25 176.919 175.738 1.181 1
1 203 . 13 1 1 A 26 26 TYR CA C 26 61.467 61.582 -0.115 1
1 204 . 13 1 1 A 26 26 TYR HA H 26 4.248 4.166 0.082 1
1 205 . 13 1 1 A 26 26 TYR CB C 26 37.421 38.746 -1.325 1
1 216 . 13 1 1 A 26 26 TYR C C 26 177.866 177.374 0.492 1
1 217 . 13 1 1 A 27 27 ARG N N 27 118.122 117.245 0.877 1
1 218 . 13 1 1 A 27 27 ARG H H 27 8.045 7.790 0.255 1
1 219 . 13 1 1 A 27 27 ARG CA C 27 58.511 58.746 -0.235 1
1 220 . 13 1 1 A 27 27 ARG HA H 27 3.782 3.286 0.496 1
1 221 . 13 1 1 A 27 27 ARG CB C 27 29.795 29.580 0.215 1
1 230 . 13 1 1 A 27 27 ARG C C 27 179.215 178.395 0.820 1
1 231 . 13 1 1 A 28 28 LEU N N 28 120.580 121.342 -0.762 1
1 232 . 13 1 1 A 28 28 LEU H H 28 7.278 7.614 -0.336 1
1 233 . 13 1 1 A 28 28 LEU CA C 28 58.166 58.145 0.021 1
1 234 . 13 1 1 A 28 28 LEU HA H 28 3.418 4.221 -0.803 1
1 235 . 13 1 1 A 28 28 LEU CB C 28 40.627 42.036 -1.409 1
1 248 . 13 1 1 A 28 28 LEU C C 28 177.435 178.372 -0.937 1
1 249 . 13 1 1 A 29 29 THR N N 29 116.295 112.656 3.639 1
1 250 . 13 1 1 A 29 29 THR H H 29 8.312 7.871 0.441 1
1 251 . 13 1 1 A 29 29 THR CA C 29 66.882 65.466 1.416 1
1 252 . 13 1 1 A 29 29 THR HA H 29 3.772 3.811 -0.039 1
1 253 . 13 1 1 A 29 29 THR CB C 29 68.537 68.086 0.451 1
1 259 . 13 1 1 A 29 29 THR C C 29 176.805 176.761 0.044 1
1 260 . 13 1 1 A 30 30 GLN N N 30 118.689 119.736 -1.047 1
1 261 . 13 1 1 A 30 30 GLN H H 30 7.785 8.357 -0.572 1
1 262 . 13 1 1 A 30 30 GLN CA C 30 58.073 58.242 -0.169 1
1 263 . 13 1 1 A 30 30 GLN HA H 30 3.872 4.048 -0.176 1
1 264 . 13 1 1 A 30 30 GLN CB C 30 28.779 28.366 0.413 1
1 273 . 13 1 1 A 30 30 GLN C C 30 178.292 178.027 0.265 1
1 274 . 13 1 1 A 31 31 HIS N N 31 118.694 119.017 -0.323 1
1 275 . 13 1 1 A 31 31 HIS H H 31 7.558 7.667 -0.109 1
1 276 . 13 1 1 A 31 31 HIS CA C 31 58.746 59.073 -0.327 1
1 277 . 13 1 1 A 31 31 HIS HA H 31 4.210 4.138 0.072 1
1 278 . 13 1 1 A 31 31 HIS CB C 31 27.916 29.090 -1.174 1
1 285 . 13 1 1 A 31 31 HIS C C 31 177.522 177.124 0.398 1
1 286 . 13 1 1 A 32 32 TRP N N 32 122.468 119.414 3.054 1
1 287 . 13 1 1 A 32 32 TRP H H 32 8.802 8.428 0.374 1
1 288 . 13 1 1 A 32 32 TRP CA C 32 61.090 60.205 0.885 1
1 289 . 13 1 1 A 32 32 TRP HA H 32 4.042 4.202 -0.160 1
1 290 . 13 1 1 A 32 32 TRP CB C 32 29.312 29.434 -0.122 1
1 305 . 13 1 1 A 32 32 TRP C C 32 177.947 178.698 -0.751 1
1 306 . 13 1 1 A 33 33 ILE N N 33 116.053 120.459 -4.406 1
1 307 . 13 1 1 A 33 33 ILE H H 33 7.288 8.114 -0.826 1
1 308 . 13 1 1 A 33 33 ILE CA C 33 63.891 65.468 -1.577 1
1 309 . 13 1 1 A 33 33 ILE HA H 33 3.827 3.766 0.061 1
1 310 . 13 1 1 A 33 33 ILE CB C 33 38.065 37.730 0.335 1
1 323 . 13 1 1 A 33 33 ILE C C 33 177.979 178.495 -0.516 1
1 324 . 13 1 1 A 34 34 THR N N 34 111.457 112.925 -1.468 1
1 325 . 13 1 1 A 34 34 THR H H 34 7.640 8.029 -0.389 1
1 326 . 13 1 1 A 34 34 THR CA C 34 64.307 65.673 -1.366 1
1 327 . 13 1 1 A 34 34 THR HA H 34 3.990 3.959 0.031 1
1 328 . 13 1 1 A 34 34 THR CB C 34 69.088 67.902 1.186 1
1 334 . 13 1 1 A 34 34 THR C C 34 175.690 177.105 -1.415 1
1 335 . 13 1 1 A 35 35 HIS N N 35 118.326 119.681 -1.355 1
1 336 . 13 1 1 A 35 35 HIS H H 35 7.247 8.167 -0.920 1
1 337 . 13 1 1 A 35 35 HIS CA C 35 55.628 59.073 -3.445 1
1 338 . 13 1 1 A 35 35 HIS HA H 35 4.735 4.310 0.425 1
1 339 . 13 1 1 A 35 35 HIS CB C 35 28.391 29.547 -1.156 1
1 346 . 13 1 1 A 35 35 HIS C C 35 175.573 176.218 -0.645 1
1 347 . 13 1 1 A 36 36 THR N N 36 113.348 111.057 2.291 1
1 348 . 13 1 1 A 36 36 THR H H 36 7.747 7.777 -0.030 1
1 349 . 13 1 1 A 36 36 THR CA C 36 62.742 61.164 1.578 1
1 350 . 13 1 1 A 36 36 THR HA H 36 4.251 4.355 -0.104 1
1 351 . 13 1 1 A 36 36 THR CB C 36 69.711 66.878 2.833 1
1 357 . 13 1 1 A 36 36 THR C C 36 174.653 173.192 1.461 1
1 358 . 13 1 1 A 37 37 ARG N N 37 122.448 119.751 2.697 1
1 359 . 13 1 1 A 37 37 ARG H H 37 8.143 7.737 0.406 1
1 360 . 13 1 1 A 37 37 ARG CA C 37 56.220 54.298 1.922 1
1 361 . 13 1 1 A 37 37 ARG HA H 37 4.335 4.841 -0.506 1
1 362 . 13 1 1 A 37 37 ARG CB C 37 30.719 32.736 -2.017 1
1 371 . 13 1 1 A 37 37 ARG C C 37 176.124 175.029 1.095 1
1 372 . 13 1 1 A 38 38 GLU N N 38 121.219 124.440 -3.221 1
1 373 . 13 1 1 A 38 38 GLU H H 38 8.216 8.725 -0.509 1
1 374 . 13 1 1 A 38 38 GLU CA C 38 56.497 55.062 1.435 1
1 375 . 13 1 1 A 38 38 GLU HA H 38 4.255 5.105 -0.850 1
1 376 . 13 1 1 A 38 38 GLU CB C 38 30.410 32.455 -2.045 1
1 382 . 13 1 1 A 38 38 GLU C C 38 176.132 175.856 0.276 1
1 383 . 13 1 1 A 39 39 LYS N N 39 123.433 118.676 4.757 1
1 384 . 13 1 1 A 39 39 LYS H H 39 8.290 9.028 -0.738 1
1 385 . 13 1 1 A 39 39 LYS CA C 39 54.206 53.935 0.271 1
1 386 . 13 1 1 A 39 39 LYS HA H 39 4.575 4.964 -0.389 1
1 387 . 13 1 1 A 39 39 LYS CB C 39 32.516 35.818 -3.302 1
1 396 . 13 1 1 A 39 39 LYS C C 39 174.396 173.674 0.722 1
1 397 . 13 1 1 A 40 40 PRO CA C 40 63.205 62.896 0.309 1
1 398 . 13 1 1 A 40 40 PRO HA H 40 4.463 4.433 0.030 1
1 399 . 13 1 1 A 40 40 PRO CB C 40 32.160 32.142 0.018 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.504 58.740 -0.236 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.481 4.169 0.312 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.922 61.678 2.244 1
1 6 . 14 1 1 A 6 6 SER C C 6 175.079 174.810 0.269 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.906 110.178 0.728 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.456 8.009 0.447 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.320 46.766 -1.446 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 3.980 3.741 0.239 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 3.980 3.741 0.239 1
1 12 . 14 1 1 A 7 7 GLY C C 7 174.337 175.742 -1.405 1
1 13 . 14 1 1 A 8 8 GLU N N 8 120.775 122.542 -1.767 1
1 14 . 14 1 1 A 8 8 GLU H H 8 8.343 7.847 0.496 1
1 15 . 14 1 1 A 8 8 GLU CA C 8 56.857 56.306 0.551 1
1 16 . 14 1 1 A 8 8 GLU HA H 8 4.297 4.342 -0.045 1
1 17 . 14 1 1 A 8 8 GLU CB C 8 30.354 31.113 -0.759 1
1 23 . 14 1 1 A 8 8 GLU C C 8 177.082 177.111 -0.029 1
1 24 . 14 1 1 A 9 9 GLY N N 9 109.791 109.115 0.676 1
1 25 . 14 1 1 A 9 9 GLY H H 9 8.472 7.876 0.596 1
1 26 . 14 1 1 A 9 9 GLY CA C 9 45.201 44.766 0.435 1
1 27 . 14 1 1 A 9 9 GLY HA2 H 9 3.962 4.072 -0.110 1
1 28 . 14 1 1 A 9 9 GLY HA3 H 9 3.962 4.072 -0.110 1
1 29 . 14 1 1 A 9 9 GLY C C 9 173.936 173.013 0.923 1
1 30 . 14 1 1 A 10 10 GLU N N 10 120.213 122.077 -1.864 1
1 31 . 14 1 1 A 10 10 GLU H H 10 8.203 8.585 -0.382 1
1 32 . 14 1 1 A 10 10 GLU CA C 10 56.464 56.431 0.033 1
1 33 . 14 1 1 A 10 10 GLU HA H 10 4.280 4.535 -0.255 1
1 34 . 14 1 1 A 10 10 GLU CB C 10 30.387 30.999 -0.612 1
1 40 . 14 1 1 A 10 10 GLU C C 10 176.324 176.345 -0.021 1
1 41 . 14 1 1 A 11 11 LYS N N 11 123.251 124.829 -1.578 1
1 42 . 14 1 1 A 11 11 LYS H H 11 8.292 8.770 -0.478 1
1 43 . 14 1 1 A 11 11 LYS CA C 11 54.057 53.098 0.959 1
1 44 . 14 1 1 A 11 11 LYS HA H 11 4.538 4.728 -0.190 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 32.749 33.363 -0.614 1
1 57 . 14 1 1 A 12 12 PRO CA C 12 63.124 64.197 -1.073 1
1 58 . 14 1 1 A 12 12 PRO HA H 12 4.435 4.276 0.159 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.125 31.456 0.669 1
1 68 . 14 1 1 A 12 12 PRO C C 12 176.448 175.830 0.618 1
1 69 . 14 1 1 A 13 13 TYR N N 13 119.740 118.056 1.684 1
1 70 . 14 1 1 A 13 13 TYR H H 13 8.457 7.459 0.998 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.356 56.639 0.717 1
1 72 . 14 1 1 A 13 13 TYR HA H 13 4.537 5.234 -0.697 1
1 73 . 14 1 1 A 13 13 TYR CB C 13 38.918 40.427 -1.509 1
1 84 . 14 1 1 A 13 13 TYR C C 13 174.408 174.121 0.287 1
1 85 . 14 1 1 A 14 14 GLN N N 14 122.442 125.674 -3.232 1
1 86 . 14 1 1 A 14 14 GLN H H 14 8.482 9.050 -0.568 1
1 87 . 14 1 1 A 14 14 GLN CA C 14 54.562 54.376 0.186 1
1 88 . 14 1 1 A 14 14 GLN HA H 14 4.996 5.125 -0.129 1
1 89 . 14 1 1 A 14 14 GLN CB C 14 31.639 32.005 -0.366 1
1 98 . 14 1 1 A 14 14 GLN C C 14 175.180 175.093 0.087 1
1 99 . 14 1 1 A 15 15 CYS N N 15 128.228 127.042 1.186 1
1 100 . 14 1 1 A 15 15 CYS H H 15 9.319 8.791 0.528 1
1 101 . 14 1 1 A 15 15 CYS CA C 15 59.809 60.493 -0.684 1
1 102 . 14 1 1 A 15 15 CYS HA H 15 4.710 4.782 -0.072 1
1 103 . 14 1 1 A 15 15 CYS CB C 15 30.177 28.904 1.273 1
1 106 . 14 1 1 A 15 15 CYS C C 15 177.750 176.369 1.381 1
1 107 . 14 1 1 A 16 16 SER N N 16 128.171 122.216 5.955 1
1 108 . 14 1 1 A 16 16 SER H H 16 9.434 8.852 0.582 1
1 109 . 14 1 1 A 16 16 SER CA C 16 60.913 60.009 0.904 1
1 110 . 14 1 1 A 16 16 SER HA H 16 4.299 4.356 -0.057 1
1 111 . 14 1 1 A 16 16 SER CB C 16 63.126 63.690 -0.564 1
1 114 . 14 1 1 A 16 16 SER C C 16 174.606 176.310 -1.704 1
1 115 . 14 1 1 A 17 17 GLU N N 17 124.574 121.313 3.261 1
1 116 . 14 1 1 A 17 17 GLU H H 17 9.028 8.075 0.953 1
1 117 . 14 1 1 A 17 17 GLU CA C 17 57.949 58.906 -0.957 1
1 118 . 14 1 1 A 17 17 GLU HA H 17 4.338 3.740 0.598 1
1 119 . 14 1 1 A 17 17 GLU CB C 17 29.942 28.570 1.372 1
1 125 . 14 1 1 A 17 17 GLU C C 17 177.060 177.909 -0.849 1
1 126 . 14 1 1 A 18 18 CYS N N 18 114.918 114.850 0.068 1
1 127 . 14 1 1 A 18 18 CYS H H 18 8.089 7.710 0.379 1
1 128 . 14 1 1 A 18 18 CYS CA C 18 58.331 59.618 -1.287 1
1 129 . 14 1 1 A 18 18 CYS HA H 18 5.177 4.657 0.520 1
1 130 . 14 1 1 A 18 18 CYS CB C 18 32.407 29.896 2.511 1
1 133 . 14 1 1 A 18 18 CYS C C 18 176.482 175.719 0.763 1
1 134 . 14 1 1 A 19 19 GLY N N 19 113.022 110.140 2.882 1
1 135 . 14 1 1 A 19 19 GLY H H 19 8.104 8.252 -0.148 1
1 136 . 14 1 1 A 19 19 GLY CA C 19 46.298 45.230 1.068 1
1 137 . 14 1 1 A 19 19 GLY HA2 H 19 3.856 4.063 -0.207 1
1 138 . 14 1 1 A 19 19 GLY HA3 H 19 4.240 4.090 0.150 1
1 139 . 14 1 1 A 19 19 GLY C C 19 173.951 174.382 -0.431 1
1 140 . 14 1 1 A 20 20 LYS N N 20 122.753 121.945 0.808 1
1 141 . 14 1 1 A 20 20 LYS H H 20 7.932 7.401 0.531 1
1 142 . 14 1 1 A 20 20 LYS CA C 20 57.933 55.213 2.720 1
1 143 . 14 1 1 A 20 20 LYS HA H 20 4.092 4.529 -0.437 1
1 144 . 14 1 1 A 20 20 LYS CB C 20 33.918 33.861 0.057 1
1 156 . 14 1 1 A 20 20 LYS C C 20 174.553 176.368 -1.815 1
1 157 . 14 1 1 A 21 21 SER N N 21 115.470 118.098 -2.628 1
1 158 . 14 1 1 A 21 21 SER H H 21 7.982 8.473 -0.491 1
1 159 . 14 1 1 A 21 21 SER CA C 21 57.450 56.804 0.646 1
1 160 . 14 1 1 A 21 21 SER HA H 21 5.207 5.251 -0.044 1
1 161 . 14 1 1 A 21 21 SER CB C 21 65.453 65.417 0.036 1
1 164 . 14 1 1 A 21 21 SER C C 21 173.111 173.735 -0.624 1
1 165 . 14 1 1 A 22 22 PHE N N 22 119.199 118.273 0.926 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.655 8.608 0.047 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.484 57.031 0.453 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.682 4.948 -0.266 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 44.042 42.648 1.394 1
1 182 . 14 1 1 A 22 22 PHE C C 22 175.277 175.986 -0.709 1
1 183 . 14 1 1 A 23 23 SER CA C 23 58.896 62.499 -3.603 1
1 184 . 14 1 1 A 23 23 SER HA H 23 4.571 4.278 0.293 1
1 185 . 14 1 1 A 23 23 SER CB C 23 63.524 62.856 0.668 1
1 188 . 14 1 1 A 23 23 SER C C 23 174.297 175.178 -0.881 1
1 189 . 14 1 1 A 24 24 GLY N N 24 109.456 106.755 2.701 1
1 190 . 14 1 1 A 24 24 GLY H H 24 7.551 7.983 -0.432 1
1 191 . 14 1 1 A 24 24 GLY CA C 24 44.838 44.279 0.559 1
1 192 . 14 1 1 A 24 24 GLY HA2 H 24 4.047 4.203 -0.156 1
1 193 . 14 1 1 A 24 24 GLY HA3 H 24 3.727 4.304 -0.577 1
1 194 . 14 1 1 A 24 24 GLY C C 24 172.500 174.680 -2.180 1
1 195 . 14 1 1 A 25 25 SER N N 25 115.599 114.667 0.932 1
1 196 . 14 1 1 A 25 25 SER H H 25 8.260 8.731 -0.471 1
1 197 . 14 1 1 A 25 25 SER CA C 25 60.846 60.744 0.102 1
1 198 . 14 1 1 A 25 25 SER HA H 25 3.496 3.555 -0.059 1
1 199 . 14 1 1 A 25 25 SER CB C 25 62.665 61.835 0.830 1
1 202 . 14 1 1 A 25 25 SER C C 25 176.919 175.670 1.249 1
1 203 . 14 1 1 A 26 26 TYR CA C 26 61.467 62.112 -0.645 1
1 204 . 14 1 1 A 26 26 TYR HA H 26 4.248 3.899 0.349 1
1 205 . 14 1 1 A 26 26 TYR CB C 26 37.421 38.838 -1.417 1
1 216 . 14 1 1 A 26 26 TYR C C 26 177.866 177.549 0.317 1
1 217 . 14 1 1 A 27 27 ARG N N 27 118.122 118.607 -0.485 1
1 218 . 14 1 1 A 27 27 ARG H H 27 8.045 8.150 -0.105 1
1 219 . 14 1 1 A 27 27 ARG CA C 27 58.511 58.994 -0.483 1
1 220 . 14 1 1 A 27 27 ARG HA H 27 3.782 4.112 -0.330 1
1 221 . 14 1 1 A 27 27 ARG CB C 27 29.795 30.426 -0.631 1
1 230 . 14 1 1 A 27 27 ARG C C 27 179.215 178.344 0.871 1
1 231 . 14 1 1 A 28 28 LEU N N 28 120.580 121.174 -0.594 1
1 232 . 14 1 1 A 28 28 LEU H H 28 7.278 7.850 -0.572 1
1 233 . 14 1 1 A 28 28 LEU CA C 28 58.166 58.056 0.110 1
1 234 . 14 1 1 A 28 28 LEU HA H 28 3.418 2.847 0.571 1
1 235 . 14 1 1 A 28 28 LEU CB C 28 40.627 41.629 -1.002 1
1 248 . 14 1 1 A 28 28 LEU C C 28 177.435 178.230 -0.795 1
1 249 . 14 1 1 A 29 29 THR N N 29 116.295 113.632 2.663 1
1 250 . 14 1 1 A 29 29 THR H H 29 8.312 7.609 0.703 1
1 251 . 14 1 1 A 29 29 THR CA C 29 66.882 65.573 1.309 1
1 252 . 14 1 1 A 29 29 THR HA H 29 3.772 3.606 0.166 1
1 253 . 14 1 1 A 29 29 THR CB C 29 68.537 68.787 -0.250 1
1 259 . 14 1 1 A 29 29 THR C C 29 176.805 176.325 0.480 1
1 260 . 14 1 1 A 30 30 GLN N N 30 118.689 118.559 0.130 1
1 261 . 14 1 1 A 30 30 GLN H H 30 7.785 7.633 0.152 1
1 262 . 14 1 1 A 30 30 GLN CA C 30 58.073 58.899 -0.826 1
1 263 . 14 1 1 A 30 30 GLN HA H 30 3.872 3.832 0.040 1
1 264 . 14 1 1 A 30 30 GLN CB C 30 28.779 28.234 0.545 1
1 273 . 14 1 1 A 30 30 GLN C C 30 178.292 178.436 -0.144 1
1 274 . 14 1 1 A 31 31 HIS N N 31 118.694 120.127 -1.433 1
1 275 . 14 1 1 A 31 31 HIS H H 31 7.558 8.176 -0.618 1
1 276 . 14 1 1 A 31 31 HIS CA C 31 58.746 59.552 -0.806 1
1 277 . 14 1 1 A 31 31 HIS HA H 31 4.210 4.245 -0.035 1
1 278 . 14 1 1 A 31 31 HIS CB C 31 27.916 30.161 -2.245 1
1 285 . 14 1 1 A 31 31 HIS C C 31 177.522 177.130 0.392 1
1 286 . 14 1 1 A 32 32 TRP N N 32 122.468 118.357 4.111 1
1 287 . 14 1 1 A 32 32 TRP H H 32 8.802 8.600 0.202 1
1 288 . 14 1 1 A 32 32 TRP CA C 32 61.090 60.097 0.993 1
1 289 . 14 1 1 A 32 32 TRP HA H 32 4.042 4.104 -0.062 1
1 290 . 14 1 1 A 32 32 TRP CB C 32 29.312 29.214 0.098 1
1 305 . 14 1 1 A 32 32 TRP C C 32 177.947 178.745 -0.798 1
1 306 . 14 1 1 A 33 33 ILE N N 33 116.053 120.550 -4.497 1
1 307 . 14 1 1 A 33 33 ILE H H 33 7.288 7.948 -0.660 1
1 308 . 14 1 1 A 33 33 ILE CA C 33 63.891 65.170 -1.279 1
1 309 . 14 1 1 A 33 33 ILE HA H 33 3.827 3.612 0.215 1
1 310 . 14 1 1 A 33 33 ILE CB C 33 38.065 38.029 0.036 1
1 323 . 14 1 1 A 33 33 ILE C C 33 177.979 178.143 -0.164 1
1 324 . 14 1 1 A 34 34 THR N N 34 111.457 112.787 -1.330 1
1 325 . 14 1 1 A 34 34 THR H H 34 7.640 8.299 -0.659 1
1 326 . 14 1 1 A 34 34 THR CA C 34 64.307 65.662 -1.355 1
1 327 . 14 1 1 A 34 34 THR HA H 34 3.990 4.046 -0.056 1
1 328 . 14 1 1 A 34 34 THR CB C 34 69.088 68.270 0.818 1
1 334 . 14 1 1 A 34 34 THR C C 34 175.690 176.878 -1.188 1
1 335 . 14 1 1 A 35 35 HIS N N 35 118.326 119.166 -0.840 1
1 336 . 14 1 1 A 35 35 HIS H H 35 7.247 7.599 -0.352 1
1 337 . 14 1 1 A 35 35 HIS CA C 35 55.628 58.559 -2.931 1
1 338 . 14 1 1 A 35 35 HIS HA H 35 4.735 4.339 0.396 1
1 339 . 14 1 1 A 35 35 HIS CB C 35 28.391 30.813 -2.422 1
1 346 . 14 1 1 A 35 35 HIS C C 35 175.573 175.505 0.068 1
1 347 . 14 1 1 A 36 36 THR N N 36 113.348 110.077 3.271 1
1 348 . 14 1 1 A 36 36 THR H H 36 7.747 7.944 -0.197 1
1 349 . 14 1 1 A 36 36 THR CA C 36 62.742 60.543 2.199 1
1 350 . 14 1 1 A 36 36 THR HA H 36 4.251 4.561 -0.310 1
1 351 . 14 1 1 A 36 36 THR CB C 36 69.711 70.484 -0.773 1
1 357 . 14 1 1 A 36 36 THR C C 36 174.653 174.409 0.244 1
1 358 . 14 1 1 A 37 37 ARG N N 37 122.448 125.426 -2.978 1
1 359 . 14 1 1 A 37 37 ARG H H 37 8.143 8.756 -0.613 1
1 360 . 14 1 1 A 37 37 ARG CA C 37 56.220 55.197 1.023 1
1 361 . 14 1 1 A 37 37 ARG HA H 37 4.335 4.648 -0.313 1
1 362 . 14 1 1 A 37 37 ARG CB C 37 30.719 30.215 0.504 1
1 371 . 14 1 1 A 37 37 ARG C C 37 176.124 175.726 0.398 1
1 372 . 14 1 1 A 38 38 GLU N N 38 121.219 121.379 -0.160 1
1 373 . 14 1 1 A 38 38 GLU H H 38 8.216 7.776 0.440 1
1 374 . 14 1 1 A 38 38 GLU CA C 38 56.497 56.473 0.024 1
1 375 . 14 1 1 A 38 38 GLU HA H 38 4.255 4.286 -0.031 1
1 376 . 14 1 1 A 38 38 GLU CB C 38 30.410 30.384 0.026 1
1 382 . 14 1 1 A 38 38 GLU C C 38 176.132 176.868 -0.736 1
1 383 . 14 1 1 A 39 39 LYS N N 39 123.433 124.900 -1.467 1
1 384 . 14 1 1 A 39 39 LYS H H 39 8.290 8.290 0.000 1
1 385 . 14 1 1 A 39 39 LYS CA C 39 54.206 53.065 1.141 1
1 386 . 14 1 1 A 39 39 LYS HA H 39 4.575 4.836 -0.261 1
1 387 . 14 1 1 A 39 39 LYS CB C 39 32.516 34.136 -1.620 1
1 396 . 14 1 1 A 39 39 LYS C C 39 174.396 176.104 -1.708 1
1 397 . 14 1 1 A 40 40 PRO CA C 40 63.205 65.072 -1.867 1
1 398 . 14 1 1 A 40 40 PRO HA H 40 4.463 4.391 0.072 1
1 399 . 14 1 1 A 40 40 PRO CB C 40 32.160 32.059 0.101 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.504 57.727 0.777 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.481 4.968 -0.487 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.922 64.215 -0.293 1
1 6 . 15 1 1 A 6 6 SER C C 6 175.079 174.549 0.530 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.906 112.084 -1.178 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.456 9.010 -0.554 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.320 46.959 -1.639 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 3.980 3.844 0.136 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 3.980 3.846 0.134 1
1 12 . 15 1 1 A 7 7 GLY C C 7 174.337 173.563 0.774 1
1 13 . 15 1 1 A 8 8 GLU N N 8 120.775 119.647 1.128 1
1 14 . 15 1 1 A 8 8 GLU H H 8 8.343 7.894 0.449 1
1 15 . 15 1 1 A 8 8 GLU CA C 8 56.857 55.996 0.861 1
1 16 . 15 1 1 A 8 8 GLU HA H 8 4.297 4.687 -0.390 1
1 17 . 15 1 1 A 8 8 GLU CB C 8 30.354 32.541 -2.187 1
1 23 . 15 1 1 A 8 8 GLU C C 8 177.082 175.401 1.681 1
1 24 . 15 1 1 A 9 9 GLY N N 9 109.791 113.757 -3.966 1
1 25 . 15 1 1 A 9 9 GLY H H 9 8.472 8.392 0.080 1
1 26 . 15 1 1 A 9 9 GLY CA C 9 45.201 45.402 -0.201 1
1 27 . 15 1 1 A 9 9 GLY HA2 H 9 3.962 3.990 -0.028 1
1 28 . 15 1 1 A 9 9 GLY HA3 H 9 3.962 3.992 -0.030 1
1 29 . 15 1 1 A 9 9 GLY C C 9 173.936 174.658 -0.722 1
1 30 . 15 1 1 A 10 10 GLU N N 10 120.213 121.019 -0.806 1
1 31 . 15 1 1 A 10 10 GLU H H 10 8.203 8.114 0.089 1
1 32 . 15 1 1 A 10 10 GLU CA C 10 56.464 55.510 0.954 1
1 33 . 15 1 1 A 10 10 GLU HA H 10 4.280 4.536 -0.256 1
1 34 . 15 1 1 A 10 10 GLU CB C 10 30.387 30.383 0.004 1
1 40 . 15 1 1 A 10 10 GLU C C 10 176.324 175.279 1.045 1
1 41 . 15 1 1 A 11 11 LYS N N 11 123.251 125.858 -2.607 1
1 42 . 15 1 1 A 11 11 LYS H H 11 8.292 8.794 -0.502 1
1 43 . 15 1 1 A 11 11 LYS CA C 11 54.057 52.853 1.204 1
1 44 . 15 1 1 A 11 11 LYS HA H 11 4.538 4.789 -0.251 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 32.749 33.816 -1.067 1
1 57 . 15 1 1 A 12 12 PRO CA C 12 63.124 64.439 -1.315 1
1 58 . 15 1 1 A 12 12 PRO HA H 12 4.435 4.391 0.044 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.125 31.635 0.490 1
1 68 . 15 1 1 A 12 12 PRO C C 12 176.448 176.107 0.341 1
1 69 . 15 1 1 A 13 13 TYR N N 13 119.740 117.325 2.415 1
1 70 . 15 1 1 A 13 13 TYR H H 13 8.457 7.879 0.578 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.356 57.287 0.069 1
1 72 . 15 1 1 A 13 13 TYR HA H 13 4.537 4.809 -0.272 1
1 73 . 15 1 1 A 13 13 TYR CB C 13 38.918 36.434 2.484 1
1 84 . 15 1 1 A 13 13 TYR C C 13 174.408 174.950 -0.542 1
1 85 . 15 1 1 A 14 14 GLN N N 14 122.442 122.234 0.208 1
1 86 . 15 1 1 A 14 14 GLN H H 14 8.482 7.789 0.693 1
1 87 . 15 1 1 A 14 14 GLN CA C 14 54.562 54.122 0.440 1
1 88 . 15 1 1 A 14 14 GLN HA H 14 4.996 5.182 -0.186 1
1 89 . 15 1 1 A 14 14 GLN CB C 14 31.639 32.154 -0.515 1
1 98 . 15 1 1 A 14 14 GLN C C 14 175.180 175.751 -0.571 1
1 99 . 15 1 1 A 15 15 CYS N N 15 128.228 126.146 2.082 1
1 100 . 15 1 1 A 15 15 CYS H H 15 9.319 9.656 -0.337 1
1 101 . 15 1 1 A 15 15 CYS CA C 15 59.809 59.543 0.266 1
1 102 . 15 1 1 A 15 15 CYS HA H 15 4.710 5.056 -0.346 1
1 103 . 15 1 1 A 15 15 CYS CB C 15 30.177 29.184 0.993 1
1 106 . 15 1 1 A 15 15 CYS C C 15 177.750 174.423 3.327 1
1 107 . 15 1 1 A 16 16 SER N N 16 128.171 119.986 8.185 1
1 108 . 15 1 1 A 16 16 SER H H 16 9.434 8.831 0.603 1
1 109 . 15 1 1 A 16 16 SER CA C 16 60.913 59.836 1.077 1
1 110 . 15 1 1 A 16 16 SER HA H 16 4.299 4.496 -0.197 1
1 111 . 15 1 1 A 16 16 SER CB C 16 63.126 64.542 -1.416 1
1 114 . 15 1 1 A 16 16 SER C C 16 174.606 176.420 -1.814 1
1 115 . 15 1 1 A 17 17 GLU N N 17 124.574 121.111 3.463 1
1 116 . 15 1 1 A 17 17 GLU H H 17 9.028 8.085 0.943 1
1 117 . 15 1 1 A 17 17 GLU CA C 17 57.949 59.182 -1.233 1
1 118 . 15 1 1 A 17 17 GLU HA H 17 4.338 3.713 0.625 1
1 119 . 15 1 1 A 17 17 GLU CB C 17 29.942 28.543 1.399 1
1 125 . 15 1 1 A 17 17 GLU C C 17 177.060 177.760 -0.700 1
1 126 . 15 1 1 A 18 18 CYS N N 18 114.918 114.293 0.625 1
1 127 . 15 1 1 A 18 18 CYS H H 18 8.089 7.217 0.872 1
1 128 . 15 1 1 A 18 18 CYS CA C 18 58.331 59.549 -1.218 1
1 129 . 15 1 1 A 18 18 CYS HA H 18 5.177 4.629 0.548 1
1 130 . 15 1 1 A 18 18 CYS CB C 18 32.407 30.046 2.361 1
1 133 . 15 1 1 A 18 18 CYS C C 18 176.482 175.513 0.969 1
1 134 . 15 1 1 A 19 19 GLY N N 19 113.022 110.117 2.905 1
1 135 . 15 1 1 A 19 19 GLY H H 19 8.104 8.449 -0.345 1
1 136 . 15 1 1 A 19 19 GLY CA C 19 46.298 46.269 0.029 1
1 137 . 15 1 1 A 19 19 GLY HA2 H 19 3.856 4.009 -0.153 1
1 138 . 15 1 1 A 19 19 GLY HA3 H 19 4.240 4.039 0.201 1
1 139 . 15 1 1 A 19 19 GLY C C 19 173.951 173.771 0.180 1
1 140 . 15 1 1 A 20 20 LYS N N 20 122.753 120.531 2.222 1
1 141 . 15 1 1 A 20 20 LYS H H 20 7.932 7.788 0.144 1
1 142 . 15 1 1 A 20 20 LYS CA C 20 57.933 54.933 3.000 1
1 143 . 15 1 1 A 20 20 LYS HA H 20 4.092 4.849 -0.757 1
1 144 . 15 1 1 A 20 20 LYS CB C 20 33.918 35.643 -1.725 1
1 156 . 15 1 1 A 20 20 LYS C C 20 174.553 174.788 -0.235 1
1 157 . 15 1 1 A 21 21 SER N N 21 115.470 123.572 -8.102 1
1 158 . 15 1 1 A 21 21 SER H H 21 7.982 8.796 -0.814 1
1 159 . 15 1 1 A 21 21 SER CA C 21 57.450 58.255 -0.805 1
1 160 . 15 1 1 A 21 21 SER HA H 21 5.207 5.072 0.135 1
1 161 . 15 1 1 A 21 21 SER CB C 21 65.453 64.640 0.813 1
1 164 . 15 1 1 A 21 21 SER C C 21 173.111 173.437 -0.326 1
1 165 . 15 1 1 A 22 22 PHE N N 22 119.199 121.233 -2.034 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.655 8.451 0.204 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.484 56.925 0.559 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.682 4.907 -0.225 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 44.042 43.323 0.719 1
1 182 . 15 1 1 A 22 22 PHE C C 22 175.277 175.446 -0.169 1
1 183 . 15 1 1 A 23 23 SER CA C 23 58.896 58.181 0.715 1
1 184 . 15 1 1 A 23 23 SER HA H 23 4.571 4.753 -0.182 1
1 185 . 15 1 1 A 23 23 SER CB C 23 63.524 61.721 1.803 1
1 188 . 15 1 1 A 23 23 SER C C 23 174.297 173.714 0.583 1
1 189 . 15 1 1 A 24 24 GLY N N 24 109.456 109.416 0.040 1
1 190 . 15 1 1 A 24 24 GLY H H 24 7.551 7.340 0.211 1
1 191 . 15 1 1 A 24 24 GLY CA C 24 44.838 45.410 -0.572 1
1 192 . 15 1 1 A 24 24 GLY HA2 H 24 4.047 3.871 0.176 1
1 193 . 15 1 1 A 24 24 GLY HA3 H 24 3.727 4.085 -0.358 1
1 194 . 15 1 1 A 24 24 GLY C C 24 172.500 173.848 -1.348 1
1 195 . 15 1 1 A 25 25 SER N N 25 115.599 114.902 0.697 1
1 196 . 15 1 1 A 25 25 SER H H 25 8.260 8.400 -0.140 1
1 197 . 15 1 1 A 25 25 SER CA C 25 60.846 60.957 -0.111 1
1 198 . 15 1 1 A 25 25 SER HA H 25 3.496 3.889 -0.393 1
1 199 . 15 1 1 A 25 25 SER CB C 25 62.665 62.512 0.153 1
1 202 . 15 1 1 A 25 25 SER C C 25 176.919 175.638 1.281 1
1 203 . 15 1 1 A 26 26 TYR CA C 26 61.467 61.792 -0.325 1
1 204 . 15 1 1 A 26 26 TYR HA H 26 4.248 3.906 0.342 1
1 205 . 15 1 1 A 26 26 TYR CB C 26 37.421 38.489 -1.068 1
1 216 . 15 1 1 A 26 26 TYR C C 26 177.866 177.471 0.395 1
1 217 . 15 1 1 A 27 27 ARG N N 27 118.122 118.262 -0.140 1
1 218 . 15 1 1 A 27 27 ARG H H 27 8.045 8.114 -0.069 1
1 219 . 15 1 1 A 27 27 ARG CA C 27 58.511 58.958 -0.447 1
1 220 . 15 1 1 A 27 27 ARG HA H 27 3.782 3.761 0.021 1
1 221 . 15 1 1 A 27 27 ARG CB C 27 29.795 29.703 0.092 1
1 230 . 15 1 1 A 27 27 ARG C C 27 179.215 178.254 0.961 1
1 231 . 15 1 1 A 28 28 LEU N N 28 120.580 121.159 -0.579 1
1 232 . 15 1 1 A 28 28 LEU H H 28 7.278 7.447 -0.169 1
1 233 . 15 1 1 A 28 28 LEU CA C 28 58.166 57.965 0.201 1
1 234 . 15 1 1 A 28 28 LEU HA H 28 3.418 3.209 0.209 1
1 235 . 15 1 1 A 28 28 LEU CB C 28 40.627 41.721 -1.094 1
1 248 . 15 1 1 A 28 28 LEU C C 28 177.435 178.282 -0.847 1
1 249 . 15 1 1 A 29 29 THR N N 29 116.295 113.773 2.522 1
1 250 . 15 1 1 A 29 29 THR H H 29 8.312 7.670 0.642 1
1 251 . 15 1 1 A 29 29 THR CA C 29 66.882 66.128 0.754 1
1 252 . 15 1 1 A 29 29 THR HA H 29 3.772 3.472 0.300 1
1 253 . 15 1 1 A 29 29 THR CB C 29 68.537 68.103 0.434 1
1 259 . 15 1 1 A 29 29 THR C C 29 176.805 176.279 0.526 1
1 260 . 15 1 1 A 30 30 GLN N N 30 118.689 117.673 1.016 1
1 261 . 15 1 1 A 30 30 GLN H H 30 7.785 7.611 0.174 1
1 262 . 15 1 1 A 30 30 GLN CA C 30 58.073 58.895 -0.822 1
1 263 . 15 1 1 A 30 30 GLN HA H 30 3.872 3.815 0.057 1
1 264 . 15 1 1 A 30 30 GLN CB C 30 28.779 27.824 0.955 1
1 273 . 15 1 1 A 30 30 GLN C C 30 178.292 178.684 -0.392 1
1 274 . 15 1 1 A 31 31 HIS N N 31 118.694 120.011 -1.317 1
1 275 . 15 1 1 A 31 31 HIS H H 31 7.558 7.769 -0.211 1
1 276 . 15 1 1 A 31 31 HIS CA C 31 58.746 59.283 -0.537 1
1 277 . 15 1 1 A 31 31 HIS HA H 31 4.210 4.199 0.011 1
1 278 . 15 1 1 A 31 31 HIS CB C 31 27.916 29.428 -1.512 1
1 285 . 15 1 1 A 31 31 HIS C C 31 177.522 177.198 0.324 1
1 286 . 15 1 1 A 32 32 TRP N N 32 122.468 117.072 5.396 1
1 287 . 15 1 1 A 32 32 TRP H H 32 8.802 7.851 0.951 1
1 288 . 15 1 1 A 32 32 TRP CA C 32 61.090 60.539 0.551 1
1 289 . 15 1 1 A 32 32 TRP HA H 32 4.042 4.117 -0.075 1
1 290 . 15 1 1 A 32 32 TRP CB C 32 29.312 28.282 1.030 1
1 305 . 15 1 1 A 32 32 TRP C C 32 177.947 178.672 -0.725 1
1 306 . 15 1 1 A 33 33 ILE N N 33 116.053 120.307 -4.254 1
1 307 . 15 1 1 A 33 33 ILE H H 33 7.288 7.659 -0.371 1
1 308 . 15 1 1 A 33 33 ILE CA C 33 63.891 64.719 -0.828 1
1 309 . 15 1 1 A 33 33 ILE HA H 33 3.827 3.578 0.249 1
1 310 . 15 1 1 A 33 33 ILE CB C 33 38.065 37.532 0.533 1
1 323 . 15 1 1 A 33 33 ILE C C 33 177.979 178.085 -0.106 1
1 324 . 15 1 1 A 34 34 THR N N 34 111.457 114.535 -3.078 1
1 325 . 15 1 1 A 34 34 THR H H 34 7.640 7.920 -0.280 1
1 326 . 15 1 1 A 34 34 THR CA C 34 64.307 64.262 0.045 1
1 327 . 15 1 1 A 34 34 THR HA H 34 3.990 3.966 0.024 1
1 328 . 15 1 1 A 34 34 THR CB C 34 69.088 68.504 0.584 1
1 334 . 15 1 1 A 34 34 THR C C 34 175.690 175.482 0.208 1
1 335 . 15 1 1 A 35 35 HIS N N 35 118.326 117.323 1.003 1
1 336 . 15 1 1 A 35 35 HIS H H 35 7.247 7.545 -0.298 1
1 337 . 15 1 1 A 35 35 HIS CA C 35 55.628 56.222 -0.594 1
1 338 . 15 1 1 A 35 35 HIS HA H 35 4.735 4.539 0.196 1
1 339 . 15 1 1 A 35 35 HIS CB C 35 28.391 30.276 -1.885 1
1 346 . 15 1 1 A 35 35 HIS C C 35 175.573 174.853 0.720 1
1 347 . 15 1 1 A 36 36 THR N N 36 113.348 112.816 0.532 1
1 348 . 15 1 1 A 36 36 THR H H 36 7.747 7.791 -0.044 1
1 349 . 15 1 1 A 36 36 THR CA C 36 62.742 61.992 0.750 1
1 350 . 15 1 1 A 36 36 THR HA H 36 4.251 4.574 -0.323 1
1 351 . 15 1 1 A 36 36 THR CB C 36 69.711 71.024 -1.313 1
1 357 . 15 1 1 A 36 36 THR C C 36 174.653 172.625 2.028 1
1 358 . 15 1 1 A 37 37 ARG N N 37 122.448 127.785 -5.337 1
1 359 . 15 1 1 A 37 37 ARG H H 37 8.143 8.916 -0.773 1
1 360 . 15 1 1 A 37 37 ARG CA C 37 56.220 54.013 2.207 1
1 361 . 15 1 1 A 37 37 ARG HA H 37 4.335 4.802 -0.467 1
1 362 . 15 1 1 A 37 37 ARG CB C 37 30.719 34.065 -3.346 1
1 371 . 15 1 1 A 37 37 ARG C C 37 176.124 175.064 1.060 1
1 372 . 15 1 1 A 38 38 GLU N N 38 121.219 120.323 0.896 1
1 373 . 15 1 1 A 38 38 GLU H H 38 8.216 8.513 -0.297 1
1 374 . 15 1 1 A 38 38 GLU CA C 38 56.497 55.826 0.671 1
1 375 . 15 1 1 A 38 38 GLU HA H 38 4.255 4.707 -0.452 1
1 376 . 15 1 1 A 38 38 GLU CB C 38 30.410 30.400 0.010 1
1 382 . 15 1 1 A 38 38 GLU C C 38 176.132 175.082 1.050 1
1 383 . 15 1 1 A 39 39 LYS N N 39 123.433 125.535 -2.102 1
1 384 . 15 1 1 A 39 39 LYS H H 39 8.290 8.918 -0.628 1
1 385 . 15 1 1 A 39 39 LYS CA C 39 54.206 53.146 1.060 1
1 386 . 15 1 1 A 39 39 LYS HA H 39 4.575 4.761 -0.186 1
1 387 . 15 1 1 A 39 39 LYS CB C 39 32.516 33.357 -0.841 1
1 396 . 15 1 1 A 39 39 LYS C C 39 174.396 176.313 -1.917 1
1 397 . 15 1 1 A 40 40 PRO CA C 40 63.205 64.220 -1.015 1
1 398 . 15 1 1 A 40 40 PRO HA H 40 4.463 4.377 0.086 1
1 399 . 15 1 1 A 40 40 PRO CB C 40 32.160 32.013 0.147 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.504 60.323 -1.819 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.481 4.315 0.166 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.922 63.874 0.048 1
1 6 . 16 1 1 A 6 6 SER C C 6 175.079 174.307 0.772 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.906 107.398 3.508 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.456 7.493 0.963 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.320 46.161 -0.841 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 3.980 4.084 -0.104 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 3.980 4.084 -0.104 1
1 12 . 16 1 1 A 7 7 GLY C C 7 174.337 171.989 2.348 1
1 13 . 16 1 1 A 8 8 GLU N N 8 120.775 121.205 -0.430 1
1 14 . 16 1 1 A 8 8 GLU H H 8 8.343 8.879 -0.536 1
1 15 . 16 1 1 A 8 8 GLU CA C 8 56.857 54.201 2.656 1
1 16 . 16 1 1 A 8 8 GLU HA H 8 4.297 5.139 -0.842 1
1 17 . 16 1 1 A 8 8 GLU CB C 8 30.354 33.562 -3.208 1
1 23 . 16 1 1 A 8 8 GLU C C 8 177.082 175.363 1.719 1
1 24 . 16 1 1 A 9 9 GLY N N 9 109.791 107.132 2.659 1
1 25 . 16 1 1 A 9 9 GLY H H 9 8.472 8.565 -0.093 1
1 26 . 16 1 1 A 9 9 GLY CA C 9 45.201 45.767 -0.566 1
1 27 . 16 1 1 A 9 9 GLY HA2 H 9 3.962 4.211 -0.249 1
1 28 . 16 1 1 A 9 9 GLY HA3 H 9 3.962 4.211 -0.249 1
1 29 . 16 1 1 A 9 9 GLY C C 9 173.936 172.894 1.042 1
1 30 . 16 1 1 A 10 10 GLU N N 10 120.213 117.758 2.455 1
1 31 . 16 1 1 A 10 10 GLU H H 10 8.203 8.333 -0.130 1
1 32 . 16 1 1 A 10 10 GLU CA C 10 56.464 55.478 0.986 1
1 33 . 16 1 1 A 10 10 GLU HA H 10 4.280 5.033 -0.753 1
1 34 . 16 1 1 A 10 10 GLU CB C 10 30.387 31.785 -1.398 1
1 40 . 16 1 1 A 10 10 GLU C C 10 176.324 175.817 0.507 1
1 41 . 16 1 1 A 11 11 LYS N N 11 123.251 121.095 2.156 1
1 42 . 16 1 1 A 11 11 LYS H H 11 8.292 8.592 -0.300 1
1 43 . 16 1 1 A 11 11 LYS CA C 11 54.057 53.652 0.405 1
1 44 . 16 1 1 A 11 11 LYS HA H 11 4.538 4.880 -0.342 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 32.749 33.998 -1.249 1
1 57 . 16 1 1 A 12 12 PRO CA C 12 63.124 64.098 -0.974 1
1 58 . 16 1 1 A 12 12 PRO HA H 12 4.435 4.259 0.176 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.125 31.653 0.472 1
1 68 . 16 1 1 A 12 12 PRO C C 12 176.448 175.717 0.731 1
1 69 . 16 1 1 A 13 13 TYR N N 13 119.740 117.745 1.995 1
1 70 . 16 1 1 A 13 13 TYR H H 13 8.457 7.456 1.001 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.356 56.289 1.067 1
1 72 . 16 1 1 A 13 13 TYR HA H 13 4.537 5.363 -0.826 1
1 73 . 16 1 1 A 13 13 TYR CB C 13 38.918 42.245 -3.327 1
1 84 . 16 1 1 A 13 13 TYR C C 13 174.408 174.301 0.107 1
1 85 . 16 1 1 A 14 14 GLN N N 14 122.442 124.063 -1.621 1
1 86 . 16 1 1 A 14 14 GLN H H 14 8.482 9.126 -0.644 1
1 87 . 16 1 1 A 14 14 GLN CA C 14 54.562 54.422 0.140 1
1 88 . 16 1 1 A 14 14 GLN HA H 14 4.996 5.118 -0.122 1
1 89 . 16 1 1 A 14 14 GLN CB C 14 31.639 32.138 -0.499 1
1 98 . 16 1 1 A 14 14 GLN C C 14 175.180 174.919 0.261 1
1 99 . 16 1 1 A 15 15 CYS N N 15 128.228 126.610 1.618 1
1 100 . 16 1 1 A 15 15 CYS H H 15 9.319 8.749 0.570 1
1 101 . 16 1 1 A 15 15 CYS CA C 15 59.809 60.069 -0.260 1
1 102 . 16 1 1 A 15 15 CYS HA H 15 4.710 4.829 -0.119 1
1 103 . 16 1 1 A 15 15 CYS CB C 15 30.177 28.571 1.606 1
1 106 . 16 1 1 A 15 15 CYS C C 15 177.750 175.307 2.443 1
1 107 . 16 1 1 A 16 16 SER N N 16 128.171 123.293 4.878 1
1 108 . 16 1 1 A 16 16 SER H H 16 9.434 9.031 0.403 1
1 109 . 16 1 1 A 16 16 SER CA C 16 60.913 61.378 -0.465 1
1 110 . 16 1 1 A 16 16 SER HA H 16 4.299 4.139 0.160 1
1 111 . 16 1 1 A 16 16 SER CB C 16 63.126 62.700 0.426 1
1 114 . 16 1 1 A 16 16 SER C C 16 174.606 176.829 -2.223 1
1 115 . 16 1 1 A 17 17 GLU N N 17 124.574 120.446 4.128 1
1 116 . 16 1 1 A 17 17 GLU H H 17 9.028 7.895 1.133 1
1 117 . 16 1 1 A 17 17 GLU CA C 17 57.949 59.144 -1.195 1
1 118 . 16 1 1 A 17 17 GLU HA H 17 4.338 3.670 0.668 1
1 119 . 16 1 1 A 17 17 GLU CB C 17 29.942 28.476 1.466 1
1 125 . 16 1 1 A 17 17 GLU C C 17 177.060 177.878 -0.818 1
1 126 . 16 1 1 A 18 18 CYS N N 18 114.918 114.593 0.325 1
1 127 . 16 1 1 A 18 18 CYS H H 18 8.089 7.666 0.423 1
1 128 . 16 1 1 A 18 18 CYS CA C 18 58.331 59.570 -1.239 1
1 129 . 16 1 1 A 18 18 CYS HA H 18 5.177 4.542 0.635 1
1 130 . 16 1 1 A 18 18 CYS CB C 18 32.407 29.634 2.773 1
1 133 . 16 1 1 A 18 18 CYS C C 18 176.482 175.232 1.250 1
1 134 . 16 1 1 A 19 19 GLY N N 19 113.022 110.046 2.976 1
1 135 . 16 1 1 A 19 19 GLY H H 19 8.104 7.958 0.146 1
1 136 . 16 1 1 A 19 19 GLY CA C 19 46.298 45.420 0.878 1
1 137 . 16 1 1 A 19 19 GLY HA2 H 19 3.856 4.046 -0.190 1
1 138 . 16 1 1 A 19 19 GLY HA3 H 19 4.240 4.058 0.182 1
1 139 . 16 1 1 A 19 19 GLY C C 19 173.951 174.299 -0.348 1
1 140 . 16 1 1 A 20 20 LYS N N 20 122.753 121.179 1.574 1
1 141 . 16 1 1 A 20 20 LYS H H 20 7.932 7.348 0.584 1
1 142 . 16 1 1 A 20 20 LYS CA C 20 57.933 54.819 3.114 1
1 143 . 16 1 1 A 20 20 LYS HA H 20 4.092 4.827 -0.735 1
1 144 . 16 1 1 A 20 20 LYS CB C 20 33.918 35.019 -1.101 1
1 156 . 16 1 1 A 20 20 LYS C C 20 174.553 174.612 -0.059 1
1 157 . 16 1 1 A 21 21 SER N N 21 115.470 116.479 -1.009 1
1 158 . 16 1 1 A 21 21 SER H H 21 7.982 8.482 -0.500 1
1 159 . 16 1 1 A 21 21 SER CA C 21 57.450 56.258 1.192 1
1 160 . 16 1 1 A 21 21 SER HA H 21 5.207 5.541 -0.334 1
1 161 . 16 1 1 A 21 21 SER CB C 21 65.453 66.293 -0.840 1
1 164 . 16 1 1 A 21 21 SER C C 21 173.111 172.219 0.892 1
1 165 . 16 1 1 A 22 22 PHE N N 22 119.199 123.122 -3.923 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.655 8.968 -0.313 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.484 56.705 0.779 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.682 4.935 -0.253 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 44.042 43.154 0.888 1
1 182 . 16 1 1 A 22 22 PHE C C 22 175.277 175.209 0.068 1
1 183 . 16 1 1 A 23 23 SER CA C 23 58.896 58.136 0.760 1
1 184 . 16 1 1 A 23 23 SER HA H 23 4.571 4.754 -0.183 1
1 185 . 16 1 1 A 23 23 SER CB C 23 63.524 61.619 1.905 1
1 188 . 16 1 1 A 23 23 SER C C 23 174.297 173.252 1.045 1
1 189 . 16 1 1 A 24 24 GLY N N 24 109.456 108.365 1.091 1
1 190 . 16 1 1 A 24 24 GLY H H 24 7.551 7.644 -0.093 1
1 191 . 16 1 1 A 24 24 GLY CA C 24 44.838 45.664 -0.826 1
1 192 . 16 1 1 A 24 24 GLY HA2 H 24 4.047 4.143 -0.096 1
1 193 . 16 1 1 A 24 24 GLY HA3 H 24 3.727 4.146 -0.419 1
1 194 . 16 1 1 A 24 24 GLY C C 24 172.500 173.880 -1.380 1
1 195 . 16 1 1 A 25 25 SER N N 25 115.599 116.732 -1.133 1
1 196 . 16 1 1 A 25 25 SER H H 25 8.260 8.934 -0.674 1
1 197 . 16 1 1 A 25 25 SER CA C 25 60.846 61.091 -0.245 1
1 198 . 16 1 1 A 25 25 SER HA H 25 3.496 3.404 0.092 1
1 199 . 16 1 1 A 25 25 SER CB C 25 62.665 62.461 0.204 1
1 202 . 16 1 1 A 25 25 SER C C 25 176.919 175.648 1.271 1
1 203 . 16 1 1 A 26 26 TYR CA C 26 61.467 61.423 0.044 1
1 204 . 16 1 1 A 26 26 TYR HA H 26 4.248 4.039 0.209 1
1 205 . 16 1 1 A 26 26 TYR CB C 26 37.421 38.541 -1.120 1
1 216 . 16 1 1 A 26 26 TYR C C 26 177.866 177.687 0.179 1
1 217 . 16 1 1 A 27 27 ARG N N 27 118.122 118.121 0.001 1
1 218 . 16 1 1 A 27 27 ARG H H 27 8.045 7.986 0.059 1
1 219 . 16 1 1 A 27 27 ARG CA C 27 58.511 59.457 -0.946 1
1 220 . 16 1 1 A 27 27 ARG HA H 27 3.782 3.793 -0.011 1
1 221 . 16 1 1 A 27 27 ARG CB C 27 29.795 30.010 -0.215 1
1 230 . 16 1 1 A 27 27 ARG C C 27 179.215 178.506 0.709 1
1 231 . 16 1 1 A 28 28 LEU N N 28 120.580 121.215 -0.635 1
1 232 . 16 1 1 A 28 28 LEU H H 28 7.278 7.515 -0.237 1
1 233 . 16 1 1 A 28 28 LEU CA C 28 58.166 58.167 -0.001 1
1 234 . 16 1 1 A 28 28 LEU HA H 28 3.418 3.637 -0.219 1
1 235 . 16 1 1 A 28 28 LEU CB C 28 40.627 41.724 -1.097 1
1 248 . 16 1 1 A 28 28 LEU C C 28 177.435 178.326 -0.891 1
1 249 . 16 1 1 A 29 29 THR N N 29 116.295 113.763 2.532 1
1 250 . 16 1 1 A 29 29 THR H H 29 8.312 7.721 0.591 1
1 251 . 16 1 1 A 29 29 THR CA C 29 66.882 66.170 0.712 1
1 252 . 16 1 1 A 29 29 THR HA H 29 3.772 3.472 0.300 1
1 253 . 16 1 1 A 29 29 THR CB C 29 68.537 67.998 0.539 1
1 259 . 16 1 1 A 29 29 THR C C 29 176.805 176.162 0.643 1
1 260 . 16 1 1 A 30 30 GLN N N 30 118.689 117.871 0.818 1
1 261 . 16 1 1 A 30 30 GLN H H 30 7.785 7.632 0.153 1
1 262 . 16 1 1 A 30 30 GLN CA C 30 58.073 59.038 -0.965 1
1 263 . 16 1 1 A 30 30 GLN HA H 30 3.872 3.783 0.089 1
1 264 . 16 1 1 A 30 30 GLN CB C 30 28.779 27.941 0.838 1
1 273 . 16 1 1 A 30 30 GLN C C 30 178.292 178.472 -0.180 1
1 274 . 16 1 1 A 31 31 HIS N N 31 118.694 119.057 -0.363 1
1 275 . 16 1 1 A 31 31 HIS H H 31 7.558 7.520 0.038 1
1 276 . 16 1 1 A 31 31 HIS CA C 31 58.746 59.011 -0.265 1
1 277 . 16 1 1 A 31 31 HIS HA H 31 4.210 4.222 -0.012 1
1 278 . 16 1 1 A 31 31 HIS CB C 31 27.916 30.050 -2.134 1
1 285 . 16 1 1 A 31 31 HIS C C 31 177.522 176.920 0.602 1
1 286 . 16 1 1 A 32 32 TRP N N 32 122.468 118.513 3.955 1
1 287 . 16 1 1 A 32 32 TRP H H 32 8.802 8.363 0.439 1
1 288 . 16 1 1 A 32 32 TRP CA C 32 61.090 60.049 1.041 1
1 289 . 16 1 1 A 32 32 TRP HA H 32 4.042 4.182 -0.140 1
1 290 . 16 1 1 A 32 32 TRP CB C 32 29.312 29.041 0.271 1
1 305 . 16 1 1 A 32 32 TRP C C 32 177.947 178.796 -0.849 1
1 306 . 16 1 1 A 33 33 ILE N N 33 116.053 120.499 -4.446 1
1 307 . 16 1 1 A 33 33 ILE H H 33 7.288 8.001 -0.713 1
1 308 . 16 1 1 A 33 33 ILE CA C 33 63.891 65.347 -1.456 1
1 309 . 16 1 1 A 33 33 ILE HA H 33 3.827 3.666 0.161 1
1 310 . 16 1 1 A 33 33 ILE CB C 33 38.065 37.734 0.331 1
1 323 . 16 1 1 A 33 33 ILE C C 33 177.979 177.771 0.208 1
1 324 . 16 1 1 A 34 34 THR N N 34 111.457 114.435 -2.978 1
1 325 . 16 1 1 A 34 34 THR H H 34 7.640 8.055 -0.415 1
1 326 . 16 1 1 A 34 34 THR CA C 34 64.307 65.247 -0.940 1
1 327 . 16 1 1 A 34 34 THR HA H 34 3.990 3.812 0.178 1
1 328 . 16 1 1 A 34 34 THR CB C 34 69.088 68.473 0.615 1
1 334 . 16 1 1 A 34 34 THR C C 34 175.690 176.666 -0.976 1
1 335 . 16 1 1 A 35 35 HIS N N 35 118.326 117.985 0.341 1
1 336 . 16 1 1 A 35 35 HIS H H 35 7.247 7.613 -0.366 1
1 337 . 16 1 1 A 35 35 HIS CA C 35 55.628 59.546 -3.918 1
1 338 . 16 1 1 A 35 35 HIS HA H 35 4.735 4.227 0.508 1
1 339 . 16 1 1 A 35 35 HIS CB C 35 28.391 30.076 -1.685 1
1 346 . 16 1 1 A 35 35 HIS C C 35 175.573 177.371 -1.798 1
1 347 . 16 1 1 A 36 36 THR N N 36 113.348 115.061 -1.713 1
1 348 . 16 1 1 A 36 36 THR H H 36 7.747 7.971 -0.224 1
1 349 . 16 1 1 A 36 36 THR CA C 36 62.742 66.952 -4.210 1
1 350 . 16 1 1 A 36 36 THR HA H 36 4.251 3.905 0.346 1
1 351 . 16 1 1 A 36 36 THR CB C 36 69.711 68.773 0.938 1
1 357 . 16 1 1 A 36 36 THR C C 36 174.653 175.365 -0.712 1
1 358 . 16 1 1 A 37 37 ARG N N 37 122.448 119.523 2.925 1
1 359 . 16 1 1 A 37 37 ARG H H 37 8.143 7.597 0.546 1
1 360 . 16 1 1 A 37 37 ARG CA C 37 56.220 56.405 -0.185 1
1 361 . 16 1 1 A 37 37 ARG HA H 37 4.335 4.406 -0.071 1
1 362 . 16 1 1 A 37 37 ARG CB C 37 30.719 30.773 -0.054 1
1 371 . 16 1 1 A 37 37 ARG C C 37 176.124 175.825 0.299 1
1 372 . 16 1 1 A 38 38 GLU N N 38 121.219 122.020 -0.801 1
1 373 . 16 1 1 A 38 38 GLU H H 38 8.216 8.562 -0.346 1
1 374 . 16 1 1 A 38 38 GLU CA C 38 56.497 55.939 0.558 1
1 375 . 16 1 1 A 38 38 GLU HA H 38 4.255 4.576 -0.321 1
1 376 . 16 1 1 A 38 38 GLU CB C 38 30.410 30.263 0.147 1
1 382 . 16 1 1 A 38 38 GLU C C 38 176.132 175.860 0.272 1
1 383 . 16 1 1 A 39 39 LYS N N 39 123.433 125.599 -2.166 1
1 384 . 16 1 1 A 39 39 LYS H H 39 8.290 8.545 -0.255 1
1 385 . 16 1 1 A 39 39 LYS CA C 39 54.206 55.026 -0.820 1
1 386 . 16 1 1 A 39 39 LYS HA H 39 4.575 4.250 0.325 1
1 387 . 16 1 1 A 39 39 LYS CB C 39 32.516 31.789 0.727 1
1 396 . 16 1 1 A 39 39 LYS C C 39 174.396 176.452 -2.056 1
1 397 . 16 1 1 A 40 40 PRO CA C 40 63.205 63.786 -0.581 1
1 398 . 16 1 1 A 40 40 PRO HA H 40 4.463 4.548 -0.085 1
1 399 . 16 1 1 A 40 40 PRO CB C 40 32.160 32.131 0.029 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.504 60.516 -2.012 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.481 4.225 0.256 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.922 63.428 0.494 1
1 6 . 17 1 1 A 6 6 SER C C 6 175.079 174.576 0.503 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.906 107.348 3.558 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.456 7.728 0.728 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.320 44.102 1.218 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 3.980 4.058 -0.078 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 3.980 4.059 -0.079 1
1 12 . 17 1 1 A 7 7 GLY C C 7 174.337 174.774 -0.437 1
1 13 . 17 1 1 A 8 8 GLU N N 8 120.775 118.672 2.103 1
1 14 . 17 1 1 A 8 8 GLU H H 8 8.343 8.697 -0.354 1
1 15 . 17 1 1 A 8 8 GLU CA C 8 56.857 57.065 -0.208 1
1 16 . 17 1 1 A 8 8 GLU HA H 8 4.297 4.576 -0.279 1
1 17 . 17 1 1 A 8 8 GLU CB C 8 30.354 32.525 -2.171 1
1 23 . 17 1 1 A 8 8 GLU C C 8 177.082 177.047 0.035 1
1 24 . 17 1 1 A 9 9 GLY N N 9 109.791 107.987 1.804 1
1 25 . 17 1 1 A 9 9 GLY H H 9 8.472 7.812 0.660 1
1 26 . 17 1 1 A 9 9 GLY CA C 9 45.201 47.329 -2.128 1
1 27 . 17 1 1 A 9 9 GLY HA2 H 9 3.962 3.907 0.055 1
1 28 . 17 1 1 A 9 9 GLY HA3 H 9 3.962 3.908 0.054 1
1 29 . 17 1 1 A 9 9 GLY C C 9 173.936 173.412 0.524 1
1 30 . 17 1 1 A 10 10 GLU N N 10 120.213 124.624 -4.411 1
1 31 . 17 1 1 A 10 10 GLU H H 10 8.203 8.914 -0.711 1
1 32 . 17 1 1 A 10 10 GLU CA C 10 56.464 55.448 1.016 1
1 33 . 17 1 1 A 10 10 GLU HA H 10 4.280 4.809 -0.529 1
1 34 . 17 1 1 A 10 10 GLU CB C 10 30.387 30.903 -0.516 1
1 40 . 17 1 1 A 10 10 GLU C C 10 176.324 176.082 0.242 1
1 41 . 17 1 1 A 11 11 LYS N N 11 123.251 127.277 -4.026 1
1 42 . 17 1 1 A 11 11 LYS H H 11 8.292 8.768 -0.476 1
1 43 . 17 1 1 A 11 11 LYS CA C 11 54.057 54.229 -0.172 1
1 44 . 17 1 1 A 11 11 LYS HA H 11 4.538 4.492 0.046 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 32.749 31.545 1.204 1
1 57 . 17 1 1 A 12 12 PRO CA C 12 63.124 63.881 -0.757 1
1 58 . 17 1 1 A 12 12 PRO HA H 12 4.435 4.310 0.125 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.125 30.870 1.255 1
1 68 . 17 1 1 A 12 12 PRO C C 12 176.448 175.562 0.886 1
1 69 . 17 1 1 A 13 13 TYR N N 13 119.740 119.009 0.731 1
1 70 . 17 1 1 A 13 13 TYR H H 13 8.457 7.536 0.921 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.356 56.498 0.858 1
1 72 . 17 1 1 A 13 13 TYR HA H 13 4.537 5.090 -0.553 1
1 73 . 17 1 1 A 13 13 TYR CB C 13 38.918 39.562 -0.644 1
1 84 . 17 1 1 A 13 13 TYR C C 13 174.408 174.147 0.261 1
1 85 . 17 1 1 A 14 14 GLN N N 14 122.442 125.543 -3.101 1
1 86 . 17 1 1 A 14 14 GLN H H 14 8.482 9.034 -0.552 1
1 87 . 17 1 1 A 14 14 GLN CA C 14 54.562 54.356 0.206 1
1 88 . 17 1 1 A 14 14 GLN HA H 14 4.996 5.124 -0.128 1
1 89 . 17 1 1 A 14 14 GLN CB C 14 31.639 31.921 -0.282 1
1 98 . 17 1 1 A 14 14 GLN C C 14 175.180 175.169 0.011 1
1 99 . 17 1 1 A 15 15 CYS N N 15 128.228 126.236 1.992 1
1 100 . 17 1 1 A 15 15 CYS H H 15 9.319 8.730 0.589 1
1 101 . 17 1 1 A 15 15 CYS CA C 15 59.809 60.381 -0.572 1
1 102 . 17 1 1 A 15 15 CYS HA H 15 4.710 4.903 -0.193 1
1 103 . 17 1 1 A 15 15 CYS CB C 15 30.177 28.818 1.359 1
1 106 . 17 1 1 A 15 15 CYS C C 15 177.750 176.049 1.701 1
1 107 . 17 1 1 A 16 16 SER N N 16 128.171 123.488 4.683 1
1 108 . 17 1 1 A 16 16 SER H H 16 9.434 9.215 0.219 1
1 109 . 17 1 1 A 16 16 SER CA C 16 60.913 57.851 3.062 1
1 110 . 17 1 1 A 16 16 SER HA H 16 4.299 4.657 -0.358 1
1 111 . 17 1 1 A 16 16 SER CB C 16 63.126 62.691 0.435 1
1 114 . 17 1 1 A 16 16 SER C C 16 174.606 175.173 -0.567 1
1 115 . 17 1 1 A 17 17 GLU N N 17 124.574 122.239 2.335 1
1 116 . 17 1 1 A 17 17 GLU H H 17 9.028 7.869 1.159 1
1 117 . 17 1 1 A 17 17 GLU CA C 17 57.949 57.066 0.883 1
1 118 . 17 1 1 A 17 17 GLU HA H 17 4.338 4.323 0.015 1
1 119 . 17 1 1 A 17 17 GLU CB C 17 29.942 31.605 -1.663 1
1 125 . 17 1 1 A 17 17 GLU C C 17 177.060 177.607 -0.547 1
1 126 . 17 1 1 A 18 18 CYS N N 18 114.918 114.666 0.252 1
1 127 . 17 1 1 A 18 18 CYS H H 18 8.089 7.965 0.124 1
1 128 . 17 1 1 A 18 18 CYS CA C 18 58.331 59.486 -1.155 1
1 129 . 17 1 1 A 18 18 CYS HA H 18 5.177 4.610 0.567 1
1 130 . 17 1 1 A 18 18 CYS CB C 18 32.407 29.973 2.434 1
1 133 . 17 1 1 A 18 18 CYS C C 18 176.482 175.400 1.082 1
1 134 . 17 1 1 A 19 19 GLY N N 19 113.022 110.038 2.984 1
1 135 . 17 1 1 A 19 19 GLY H H 19 8.104 8.340 -0.236 1
1 136 . 17 1 1 A 19 19 GLY CA C 19 46.298 46.029 0.269 1
1 137 . 17 1 1 A 19 19 GLY HA2 H 19 3.856 4.044 -0.188 1
1 138 . 17 1 1 A 19 19 GLY HA3 H 19 4.240 4.065 0.175 1
1 139 . 17 1 1 A 19 19 GLY C C 19 173.951 174.324 -0.373 1
1 140 . 17 1 1 A 20 20 LYS N N 20 122.753 120.076 2.677 1
1 141 . 17 1 1 A 20 20 LYS H H 20 7.932 7.899 0.033 1
1 142 . 17 1 1 A 20 20 LYS CA C 20 57.933 54.600 3.333 1
1 143 . 17 1 1 A 20 20 LYS HA H 20 4.092 4.553 -0.461 1
1 144 . 17 1 1 A 20 20 LYS CB C 20 33.918 34.915 -0.997 1
1 156 . 17 1 1 A 20 20 LYS C C 20 174.553 174.632 -0.079 1
1 157 . 17 1 1 A 21 21 SER N N 21 115.470 119.429 -3.959 1
1 158 . 17 1 1 A 21 21 SER H H 21 7.982 8.771 -0.789 1
1 159 . 17 1 1 A 21 21 SER CA C 21 57.450 56.824 0.626 1
1 160 . 17 1 1 A 21 21 SER HA H 21 5.207 5.437 -0.230 1
1 161 . 17 1 1 A 21 21 SER CB C 21 65.453 64.688 0.765 1
1 164 . 17 1 1 A 21 21 SER C C 21 173.111 173.932 -0.821 1
1 165 . 17 1 1 A 22 22 PHE N N 22 119.199 123.817 -4.618 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.655 9.418 -0.763 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.484 57.286 0.198 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.682 5.061 -0.379 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 44.042 41.711 2.331 1
1 182 . 17 1 1 A 22 22 PHE C C 22 175.277 175.720 -0.443 1
1 183 . 17 1 1 A 23 23 SER CA C 23 58.896 58.116 0.780 1
1 184 . 17 1 1 A 23 23 SER HA H 23 4.571 4.783 -0.212 1
1 185 . 17 1 1 A 23 23 SER CB C 23 63.524 62.929 0.595 1
1 188 . 17 1 1 A 23 23 SER C C 23 174.297 173.286 1.011 1
1 189 . 17 1 1 A 24 24 GLY N N 24 109.456 108.202 1.254 1
1 190 . 17 1 1 A 24 24 GLY H H 24 7.551 7.458 0.093 1
1 191 . 17 1 1 A 24 24 GLY CA C 24 44.838 45.960 -1.122 1
1 192 . 17 1 1 A 24 24 GLY HA2 H 24 4.047 4.101 -0.054 1
1 193 . 17 1 1 A 24 24 GLY HA3 H 24 3.727 4.122 -0.395 1
1 194 . 17 1 1 A 24 24 GLY C C 24 172.500 174.363 -1.863 1
1 195 . 17 1 1 A 25 25 SER N N 25 115.599 118.055 -2.456 1
1 196 . 17 1 1 A 25 25 SER H H 25 8.260 8.714 -0.454 1
1 197 . 17 1 1 A 25 25 SER CA C 25 60.846 61.268 -0.422 1
1 198 . 17 1 1 A 25 25 SER HA H 25 3.496 3.744 -0.248 1
1 199 . 17 1 1 A 25 25 SER CB C 25 62.665 62.129 0.536 1
1 202 . 17 1 1 A 25 25 SER C C 25 176.919 175.921 0.998 1
1 203 . 17 1 1 A 26 26 TYR CA C 26 61.467 61.889 -0.422 1
1 204 . 17 1 1 A 26 26 TYR HA H 26 4.248 3.975 0.273 1
1 205 . 17 1 1 A 26 26 TYR CB C 26 37.421 38.983 -1.562 1
1 216 . 17 1 1 A 26 26 TYR C C 26 177.866 177.634 0.232 1
1 217 . 17 1 1 A 27 27 ARG N N 27 118.122 118.989 -0.867 1
1 218 . 17 1 1 A 27 27 ARG H H 27 8.045 7.915 0.130 1
1 219 . 17 1 1 A 27 27 ARG CA C 27 58.511 58.889 -0.378 1
1 220 . 17 1 1 A 27 27 ARG HA H 27 3.782 4.246 -0.464 1
1 221 . 17 1 1 A 27 27 ARG CB C 27 29.795 30.206 -0.411 1
1 230 . 17 1 1 A 27 27 ARG C C 27 179.215 178.473 0.742 1
1 231 . 17 1 1 A 28 28 LEU N N 28 120.580 121.577 -0.997 1
1 232 . 17 1 1 A 28 28 LEU H H 28 7.278 7.977 -0.699 1
1 233 . 17 1 1 A 28 28 LEU CA C 28 58.166 58.409 -0.243 1
1 234 . 17 1 1 A 28 28 LEU HA H 28 3.418 3.514 -0.096 1
1 235 . 17 1 1 A 28 28 LEU CB C 28 40.627 41.754 -1.127 1
1 248 . 17 1 1 A 28 28 LEU C C 28 177.435 178.497 -1.062 1
1 249 . 17 1 1 A 29 29 THR N N 29 116.295 113.861 2.434 1
1 250 . 17 1 1 A 29 29 THR H H 29 8.312 7.643 0.669 1
1 251 . 17 1 1 A 29 29 THR CA C 29 66.882 65.697 1.185 1
1 252 . 17 1 1 A 29 29 THR HA H 29 3.772 3.660 0.112 1
1 253 . 17 1 1 A 29 29 THR CB C 29 68.537 69.142 -0.605 1
1 259 . 17 1 1 A 29 29 THR C C 29 176.805 176.205 0.600 1
1 260 . 17 1 1 A 30 30 GLN N N 30 118.689 118.665 0.024 1
1 261 . 17 1 1 A 30 30 GLN H H 30 7.785 8.189 -0.404 1
1 262 . 17 1 1 A 30 30 GLN CA C 30 58.073 58.860 -0.787 1
1 263 . 17 1 1 A 30 30 GLN HA H 30 3.872 3.921 -0.049 1
1 264 . 17 1 1 A 30 30 GLN CB C 30 28.779 28.345 0.434 1
1 273 . 17 1 1 A 30 30 GLN C C 30 178.292 178.427 -0.135 1
1 274 . 17 1 1 A 31 31 HIS N N 31 118.694 120.774 -2.080 1
1 275 . 17 1 1 A 31 31 HIS H H 31 7.558 8.250 -0.692 1
1 276 . 17 1 1 A 31 31 HIS CA C 31 58.746 58.639 0.107 1
1 277 . 17 1 1 A 31 31 HIS HA H 31 4.210 4.201 0.009 1
1 278 . 17 1 1 A 31 31 HIS CB C 31 27.916 30.041 -2.125 1
1 285 . 17 1 1 A 31 31 HIS C C 31 177.522 177.194 0.328 1
1 286 . 17 1 1 A 32 32 TRP N N 32 122.468 118.257 4.211 1
1 287 . 17 1 1 A 32 32 TRP H H 32 8.802 8.369 0.433 1
1 288 . 17 1 1 A 32 32 TRP CA C 32 61.090 60.215 0.875 1
1 289 . 17 1 1 A 32 32 TRP HA H 32 4.042 4.255 -0.213 1
1 290 . 17 1 1 A 32 32 TRP CB C 32 29.312 29.766 -0.454 1
1 305 . 17 1 1 A 32 32 TRP C C 32 177.947 178.890 -0.943 1
1 306 . 17 1 1 A 33 33 ILE N N 33 116.053 120.499 -4.446 1
1 307 . 17 1 1 A 33 33 ILE H H 33 7.288 8.287 -0.999 1
1 308 . 17 1 1 A 33 33 ILE CA C 33 63.891 65.162 -1.271 1
1 309 . 17 1 1 A 33 33 ILE HA H 33 3.827 3.657 0.170 1
1 310 . 17 1 1 A 33 33 ILE CB C 33 38.065 37.571 0.494 1
1 323 . 17 1 1 A 33 33 ILE C C 33 177.979 178.469 -0.490 1
1 324 . 17 1 1 A 34 34 THR N N 34 111.457 113.485 -2.028 1
1 325 . 17 1 1 A 34 34 THR H H 34 7.640 8.006 -0.366 1
1 326 . 17 1 1 A 34 34 THR CA C 34 64.307 65.666 -1.359 1
1 327 . 17 1 1 A 34 34 THR HA H 34 3.990 3.994 -0.004 1
1 328 . 17 1 1 A 34 34 THR CB C 34 69.088 68.000 1.088 1
1 334 . 17 1 1 A 34 34 THR C C 34 175.690 177.055 -1.365 1
1 335 . 17 1 1 A 35 35 HIS N N 35 118.326 119.678 -1.352 1
1 336 . 17 1 1 A 35 35 HIS H H 35 7.247 7.711 -0.464 1
1 337 . 17 1 1 A 35 35 HIS CA C 35 55.628 59.087 -3.459 1
1 338 . 17 1 1 A 35 35 HIS HA H 35 4.735 4.201 0.534 1
1 339 . 17 1 1 A 35 35 HIS CB C 35 28.391 30.049 -1.658 1
1 346 . 17 1 1 A 35 35 HIS C C 35 175.573 176.058 -0.485 1
1 347 . 17 1 1 A 36 36 THR N N 36 113.348 110.456 2.892 1
1 348 . 17 1 1 A 36 36 THR H H 36 7.747 7.708 0.039 1
1 349 . 17 1 1 A 36 36 THR CA C 36 62.742 61.120 1.622 1
1 350 . 17 1 1 A 36 36 THR HA H 36 4.251 4.434 -0.183 1
1 351 . 17 1 1 A 36 36 THR CB C 36 69.711 67.840 1.871 1
1 357 . 17 1 1 A 36 36 THR C C 36 174.653 173.210 1.443 1
1 358 . 17 1 1 A 37 37 ARG N N 37 122.448 119.551 2.897 1
1 359 . 17 1 1 A 37 37 ARG H H 37 8.143 7.609 0.534 1
1 360 . 17 1 1 A 37 37 ARG CA C 37 56.220 54.096 2.124 1
1 361 . 17 1 1 A 37 37 ARG HA H 37 4.335 4.877 -0.542 1
1 362 . 17 1 1 A 37 37 ARG CB C 37 30.719 34.434 -3.715 1
1 371 . 17 1 1 A 37 37 ARG C C 37 176.124 174.591 1.533 1
1 372 . 17 1 1 A 38 38 GLU N N 38 121.219 120.742 0.477 1
1 373 . 17 1 1 A 38 38 GLU H H 38 8.216 8.584 -0.368 1
1 374 . 17 1 1 A 38 38 GLU CA C 38 56.497 55.250 1.247 1
1 375 . 17 1 1 A 38 38 GLU HA H 38 4.255 5.123 -0.868 1
1 376 . 17 1 1 A 38 38 GLU CB C 38 30.410 30.903 -0.493 1
1 382 . 17 1 1 A 38 38 GLU C C 38 176.132 175.869 0.263 1
1 383 . 17 1 1 A 39 39 LYS N N 39 123.433 121.523 1.910 1
1 384 . 17 1 1 A 39 39 LYS H H 39 8.290 8.755 -0.465 1
1 385 . 17 1 1 A 39 39 LYS CA C 39 54.206 54.309 -0.103 1
1 386 . 17 1 1 A 39 39 LYS HA H 39 4.575 4.880 -0.305 1
1 387 . 17 1 1 A 39 39 LYS CB C 39 32.516 35.667 -3.151 1
1 396 . 17 1 1 A 39 39 LYS C C 39 174.396 173.984 0.412 1
1 397 . 17 1 1 A 40 40 PRO CA C 40 63.205 62.781 0.424 1
1 398 . 17 1 1 A 40 40 PRO HA H 40 4.463 4.434 0.029 1
1 399 . 17 1 1 A 40 40 PRO CB C 40 32.160 32.686 -0.526 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.504 56.749 1.755 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.481 4.804 -0.323 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.922 64.432 -0.510 1
1 6 . 18 1 1 A 6 6 SER C C 6 175.079 173.876 1.203 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.906 115.672 -4.766 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.456 8.567 -0.111 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.320 46.709 -1.389 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 3.980 3.904 0.076 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 3.980 3.905 0.075 1
1 12 . 18 1 1 A 7 7 GLY C C 7 174.337 173.904 0.433 1
1 13 . 18 1 1 A 8 8 GLU N N 8 120.775 124.158 -3.383 1
1 14 . 18 1 1 A 8 8 GLU H H 8 8.343 8.344 -0.001 1
1 15 . 18 1 1 A 8 8 GLU CA C 8 56.857 54.943 1.914 1
1 16 . 18 1 1 A 8 8 GLU HA H 8 4.297 4.722 -0.425 1
1 17 . 18 1 1 A 8 8 GLU CB C 8 30.354 30.389 -0.035 1
1 23 . 18 1 1 A 8 8 GLU C C 8 177.082 175.798 1.284 1
1 24 . 18 1 1 A 9 9 GLY N N 9 109.791 113.102 -3.311 1
1 25 . 18 1 1 A 9 9 GLY H H 9 8.472 8.152 0.320 1
1 26 . 18 1 1 A 9 9 GLY CA C 9 45.201 45.515 -0.314 1
1 27 . 18 1 1 A 9 9 GLY HA2 H 9 3.962 4.136 -0.174 1
1 28 . 18 1 1 A 9 9 GLY HA3 H 9 3.962 4.136 -0.174 1
1 29 . 18 1 1 A 9 9 GLY C C 9 173.936 174.448 -0.512 1
1 30 . 18 1 1 A 10 10 GLU N N 10 120.213 120.644 -0.431 1
1 31 . 18 1 1 A 10 10 GLU H H 10 8.203 8.203 0.000 1
1 32 . 18 1 1 A 10 10 GLU CA C 10 56.464 56.922 -0.458 1
1 33 . 18 1 1 A 10 10 GLU HA H 10 4.280 4.367 -0.087 1
1 34 . 18 1 1 A 10 10 GLU CB C 10 30.387 30.223 0.164 1
1 40 . 18 1 1 A 10 10 GLU C C 10 176.324 175.700 0.624 1
1 41 . 18 1 1 A 11 11 LYS N N 11 123.251 125.829 -2.578 1
1 42 . 18 1 1 A 11 11 LYS H H 11 8.292 8.931 -0.639 1
1 43 . 18 1 1 A 11 11 LYS CA C 11 54.057 53.111 0.946 1
1 44 . 18 1 1 A 11 11 LYS HA H 11 4.538 4.779 -0.241 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 32.749 33.475 -0.726 1
1 57 . 18 1 1 A 12 12 PRO CA C 12 63.124 64.457 -1.333 1
1 58 . 18 1 1 A 12 12 PRO HA H 12 4.435 4.368 0.067 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.125 31.922 0.203 1
1 68 . 18 1 1 A 12 12 PRO C C 12 176.448 175.942 0.506 1
1 69 . 18 1 1 A 13 13 TYR N N 13 119.740 117.677 2.063 1
1 70 . 18 1 1 A 13 13 TYR H H 13 8.457 7.758 0.699 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.356 56.571 0.785 1
1 72 . 18 1 1 A 13 13 TYR HA H 13 4.537 5.170 -0.633 1
1 73 . 18 1 1 A 13 13 TYR CB C 13 38.918 39.616 -0.698 1
1 84 . 18 1 1 A 13 13 TYR C C 13 174.408 174.213 0.195 1
1 85 . 18 1 1 A 14 14 GLN N N 14 122.442 125.399 -2.957 1
1 86 . 18 1 1 A 14 14 GLN H H 14 8.482 9.034 -0.552 1
1 87 . 18 1 1 A 14 14 GLN CA C 14 54.562 54.258 0.304 1
1 88 . 18 1 1 A 14 14 GLN HA H 14 4.996 5.237 -0.241 1
1 89 . 18 1 1 A 14 14 GLN CB C 14 31.639 32.024 -0.385 1
1 98 . 18 1 1 A 14 14 GLN C C 14 175.180 175.152 0.028 1
1 99 . 18 1 1 A 15 15 CYS N N 15 128.228 126.416 1.812 1
1 100 . 18 1 1 A 15 15 CYS H H 15 9.319 9.295 0.024 1
1 101 . 18 1 1 A 15 15 CYS CA C 15 59.809 59.999 -0.190 1
1 102 . 18 1 1 A 15 15 CYS HA H 15 4.710 4.822 -0.112 1
1 103 . 18 1 1 A 15 15 CYS CB C 15 30.177 28.699 1.478 1
1 106 . 18 1 1 A 15 15 CYS C C 15 177.750 175.692 2.058 1
1 107 . 18 1 1 A 16 16 SER N N 16 128.171 124.028 4.143 1
1 108 . 18 1 1 A 16 16 SER H H 16 9.434 9.132 0.302 1
1 109 . 18 1 1 A 16 16 SER CA C 16 60.913 61.817 -0.904 1
1 110 . 18 1 1 A 16 16 SER HA H 16 4.299 4.092 0.207 1
1 111 . 18 1 1 A 16 16 SER CB C 16 63.126 63.080 0.046 1
1 114 . 18 1 1 A 16 16 SER C C 16 174.606 176.570 -1.964 1
1 115 . 18 1 1 A 17 17 GLU N N 17 124.574 121.055 3.519 1
1 116 . 18 1 1 A 17 17 GLU H H 17 9.028 7.866 1.162 1
1 117 . 18 1 1 A 17 17 GLU CA C 17 57.949 59.157 -1.208 1
1 118 . 18 1 1 A 17 17 GLU HA H 17 4.338 3.674 0.664 1
1 119 . 18 1 1 A 17 17 GLU CB C 17 29.942 28.583 1.359 1
1 125 . 18 1 1 A 17 17 GLU C C 17 177.060 177.727 -0.667 1
1 126 . 18 1 1 A 18 18 CYS N N 18 114.918 114.503 0.415 1
1 127 . 18 1 1 A 18 18 CYS H H 18 8.089 7.563 0.526 1
1 128 . 18 1 1 A 18 18 CYS CA C 18 58.331 59.484 -1.153 1
1 129 . 18 1 1 A 18 18 CYS HA H 18 5.177 4.495 0.682 1
1 130 . 18 1 1 A 18 18 CYS CB C 18 32.407 29.776 2.631 1
1 133 . 18 1 1 A 18 18 CYS C C 18 176.482 175.352 1.130 1
1 134 . 18 1 1 A 19 19 GLY N N 19 113.022 109.766 3.256 1
1 135 . 18 1 1 A 19 19 GLY H H 19 8.104 8.093 0.011 1
1 136 . 18 1 1 A 19 19 GLY CA C 19 46.298 45.540 0.758 1
1 137 . 18 1 1 A 19 19 GLY HA2 H 19 3.856 4.045 -0.189 1
1 138 . 18 1 1 A 19 19 GLY HA3 H 19 4.240 4.062 0.178 1
1 139 . 18 1 1 A 19 19 GLY C C 19 173.951 174.009 -0.058 1
1 140 . 18 1 1 A 20 20 LYS N N 20 122.753 120.845 1.908 1
1 141 . 18 1 1 A 20 20 LYS H H 20 7.932 7.385 0.547 1
1 142 . 18 1 1 A 20 20 LYS CA C 20 57.933 54.596 3.337 1
1 143 . 18 1 1 A 20 20 LYS HA H 20 4.092 4.809 -0.717 1
1 144 . 18 1 1 A 20 20 LYS CB C 20 33.918 35.801 -1.883 1
1 156 . 18 1 1 A 20 20 LYS C C 20 174.553 175.434 -0.881 1
1 157 . 18 1 1 A 21 21 SER N N 21 115.470 116.297 -0.827 1
1 158 . 18 1 1 A 21 21 SER H H 21 7.982 8.750 -0.768 1
1 159 . 18 1 1 A 21 21 SER CA C 21 57.450 56.078 1.372 1
1 160 . 18 1 1 A 21 21 SER HA H 21 5.207 5.632 -0.425 1
1 161 . 18 1 1 A 21 21 SER CB C 21 65.453 66.178 -0.725 1
1 164 . 18 1 1 A 21 21 SER C C 21 173.111 173.618 -0.507 1
1 165 . 18 1 1 A 22 22 PHE N N 22 119.199 119.848 -0.649 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.655 8.662 -0.007 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.484 56.859 0.625 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.682 4.989 -0.307 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 44.042 43.321 0.721 1
1 182 . 18 1 1 A 22 22 PHE C C 22 175.277 174.980 0.297 1
1 183 . 18 1 1 A 23 23 SER CA C 23 58.896 57.500 1.396 1
1 184 . 18 1 1 A 23 23 SER HA H 23 4.571 4.960 -0.389 1
1 185 . 18 1 1 A 23 23 SER CB C 23 63.524 61.949 1.575 1
1 188 . 18 1 1 A 23 23 SER C C 23 174.297 174.430 -0.133 1
1 189 . 18 1 1 A 24 24 GLY N N 24 109.456 114.220 -4.764 1
1 190 . 18 1 1 A 24 24 GLY H H 24 7.551 8.172 -0.621 1
1 191 . 18 1 1 A 24 24 GLY CA C 24 44.838 44.870 -0.032 1
1 192 . 18 1 1 A 24 24 GLY HA2 H 24 4.047 3.980 0.067 1
1 193 . 18 1 1 A 24 24 GLY HA3 H 24 3.727 4.117 -0.390 1
1 194 . 18 1 1 A 24 24 GLY C C 24 172.500 173.791 -1.291 1
1 195 . 18 1 1 A 25 25 SER N N 25 115.599 115.179 0.420 1
1 196 . 18 1 1 A 25 25 SER H H 25 8.260 8.515 -0.255 1
1 197 . 18 1 1 A 25 25 SER CA C 25 60.846 61.191 -0.345 1
1 198 . 18 1 1 A 25 25 SER HA H 25 3.496 3.908 -0.412 1
1 199 . 18 1 1 A 25 25 SER CB C 25 62.665 63.080 -0.415 1
1 202 . 18 1 1 A 25 25 SER C C 25 176.919 175.734 1.185 1
1 203 . 18 1 1 A 26 26 TYR CA C 26 61.467 61.365 0.102 1
1 204 . 18 1 1 A 26 26 TYR HA H 26 4.248 4.059 0.189 1
1 205 . 18 1 1 A 26 26 TYR CB C 26 37.421 38.773 -1.352 1
1 216 . 18 1 1 A 26 26 TYR C C 26 177.866 177.569 0.297 1
1 217 . 18 1 1 A 27 27 ARG N N 27 118.122 118.233 -0.111 1
1 218 . 18 1 1 A 27 27 ARG H H 27 8.045 8.174 -0.129 1
1 219 . 18 1 1 A 27 27 ARG CA C 27 58.511 59.418 -0.907 1
1 220 . 18 1 1 A 27 27 ARG HA H 27 3.782 4.134 -0.352 1
1 221 . 18 1 1 A 27 27 ARG CB C 27 29.795 30.079 -0.284 1
1 230 . 18 1 1 A 27 27 ARG C C 27 179.215 178.283 0.932 1
1 231 . 18 1 1 A 28 28 LEU N N 28 120.580 120.513 0.067 1
1 232 . 18 1 1 A 28 28 LEU H H 28 7.278 7.940 -0.662 1
1 233 . 18 1 1 A 28 28 LEU CA C 28 58.166 58.282 -0.116 1
1 234 . 18 1 1 A 28 28 LEU HA H 28 3.418 3.462 -0.044 1
1 235 . 18 1 1 A 28 28 LEU CB C 28 40.627 41.970 -1.343 1
1 248 . 18 1 1 A 28 28 LEU C C 28 177.435 178.078 -0.643 1
1 249 . 18 1 1 A 29 29 THR N N 29 116.295 112.126 4.169 1
1 250 . 18 1 1 A 29 29 THR H H 29 8.312 7.711 0.601 1
1 251 . 18 1 1 A 29 29 THR CA C 29 66.882 65.661 1.221 1
1 252 . 18 1 1 A 29 29 THR HA H 29 3.772 3.701 0.071 1
1 253 . 18 1 1 A 29 29 THR CB C 29 68.537 68.002 0.535 1
1 259 . 18 1 1 A 29 29 THR C C 29 176.805 177.007 -0.202 1
1 260 . 18 1 1 A 30 30 GLN N N 30 118.689 121.289 -2.600 1
1 261 . 18 1 1 A 30 30 GLN H H 30 7.785 8.015 -0.230 1
1 262 . 18 1 1 A 30 30 GLN CA C 30 58.073 58.995 -0.922 1
1 263 . 18 1 1 A 30 30 GLN HA H 30 3.872 3.841 0.031 1
1 264 . 18 1 1 A 30 30 GLN CB C 30 28.779 28.144 0.635 1
1 273 . 18 1 1 A 30 30 GLN C C 30 178.292 178.581 -0.289 1
1 274 . 18 1 1 A 31 31 HIS N N 31 118.694 120.010 -1.316 1
1 275 . 18 1 1 A 31 31 HIS H H 31 7.558 7.940 -0.382 1
1 276 . 18 1 1 A 31 31 HIS CA C 31 58.746 59.372 -0.626 1
1 277 . 18 1 1 A 31 31 HIS HA H 31 4.210 4.260 -0.050 1
1 278 . 18 1 1 A 31 31 HIS CB C 31 27.916 29.908 -1.992 1
1 285 . 18 1 1 A 31 31 HIS C C 31 177.522 177.130 0.392 1
1 286 . 18 1 1 A 32 32 TRP N N 32 122.468 118.440 4.028 1
1 287 . 18 1 1 A 32 32 TRP H H 32 8.802 8.435 0.367 1
1 288 . 18 1 1 A 32 32 TRP CA C 32 61.090 59.932 1.158 1
1 289 . 18 1 1 A 32 32 TRP HA H 32 4.042 4.075 -0.033 1
1 290 . 18 1 1 A 32 32 TRP CB C 32 29.312 29.374 -0.062 1
1 305 . 18 1 1 A 32 32 TRP C C 32 177.947 178.623 -0.676 1
1 306 . 18 1 1 A 33 33 ILE N N 33 116.053 120.395 -4.342 1
1 307 . 18 1 1 A 33 33 ILE H H 33 7.288 7.919 -0.631 1
1 308 . 18 1 1 A 33 33 ILE CA C 33 63.891 65.412 -1.521 1
1 309 . 18 1 1 A 33 33 ILE HA H 33 3.827 3.723 0.104 1
1 310 . 18 1 1 A 33 33 ILE CB C 33 38.065 37.647 0.418 1
1 323 . 18 1 1 A 33 33 ILE C C 33 177.979 178.254 -0.275 1
1 324 . 18 1 1 A 34 34 THR N N 34 111.457 113.223 -1.766 1
1 325 . 18 1 1 A 34 34 THR H H 34 7.640 8.268 -0.628 1
1 326 . 18 1 1 A 34 34 THR CA C 34 64.307 65.342 -1.035 1
1 327 . 18 1 1 A 34 34 THR HA H 34 3.990 3.918 0.072 1
1 328 . 18 1 1 A 34 34 THR CB C 34 69.088 67.540 1.548 1
1 334 . 18 1 1 A 34 34 THR C C 34 175.690 177.327 -1.637 1
1 335 . 18 1 1 A 35 35 HIS N N 35 118.326 119.055 -0.729 1
1 336 . 18 1 1 A 35 35 HIS H H 35 7.247 7.672 -0.425 1
1 337 . 18 1 1 A 35 35 HIS CA C 35 55.628 59.276 -3.648 1
1 338 . 18 1 1 A 35 35 HIS HA H 35 4.735 4.237 0.498 1
1 339 . 18 1 1 A 35 35 HIS CB C 35 28.391 29.643 -1.252 1
1 346 . 18 1 1 A 35 35 HIS C C 35 175.573 177.534 -1.961 1
1 347 . 18 1 1 A 36 36 THR N N 36 113.348 114.748 -1.400 1
1 348 . 18 1 1 A 36 36 THR H H 36 7.747 7.865 -0.118 1
1 349 . 18 1 1 A 36 36 THR CA C 36 62.742 66.629 -3.887 1
1 350 . 18 1 1 A 36 36 THR HA H 36 4.251 3.964 0.287 1
1 351 . 18 1 1 A 36 36 THR CB C 36 69.711 68.710 1.001 1
1 357 . 18 1 1 A 36 36 THR C C 36 174.653 175.141 -0.488 1
1 358 . 18 1 1 A 37 37 ARG N N 37 122.448 116.034 6.414 1
1 359 . 18 1 1 A 37 37 ARG H H 37 8.143 7.860 0.283 1
1 360 . 18 1 1 A 37 37 ARG CA C 37 56.220 55.001 1.219 1
1 361 . 18 1 1 A 37 37 ARG HA H 37 4.335 4.779 -0.444 1
1 362 . 18 1 1 A 37 37 ARG CB C 37 30.719 31.287 -0.568 1
1 371 . 18 1 1 A 37 37 ARG C C 37 176.124 174.599 1.525 1
1 372 . 18 1 1 A 38 38 GLU N N 38 121.219 121.514 -0.295 1
1 373 . 18 1 1 A 38 38 GLU H H 38 8.216 8.808 -0.592 1
1 374 . 18 1 1 A 38 38 GLU CA C 38 56.497 54.717 1.780 1
1 375 . 18 1 1 A 38 38 GLU HA H 38 4.255 4.968 -0.713 1
1 376 . 18 1 1 A 38 38 GLU CB C 38 30.410 33.289 -2.879 1
1 382 . 18 1 1 A 38 38 GLU C C 38 176.132 175.273 0.859 1
1 383 . 18 1 1 A 39 39 LYS N N 39 123.433 119.189 4.244 1
1 384 . 18 1 1 A 39 39 LYS H H 39 8.290 8.259 0.031 1
1 385 . 18 1 1 A 39 39 LYS CA C 39 54.206 55.318 -1.112 1
1 386 . 18 1 1 A 39 39 LYS HA H 39 4.575 4.273 0.302 1
1 387 . 18 1 1 A 39 39 LYS CB C 39 32.516 32.285 0.231 1
1 396 . 18 1 1 A 39 39 LYS C C 39 174.396 175.947 -1.551 1
1 397 . 18 1 1 A 40 40 PRO CA C 40 63.205 62.616 0.589 1
1 398 . 18 1 1 A 40 40 PRO HA H 40 4.463 4.785 -0.322 1
1 399 . 18 1 1 A 40 40 PRO CB C 40 32.160 32.339 -0.179 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.504 57.630 0.874 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.481 4.845 -0.364 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.922 66.135 -2.213 1
1 6 . 19 1 1 A 6 6 SER C C 6 175.079 173.837 1.242 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.906 115.405 -4.499 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.456 8.823 -0.367 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.320 46.798 -1.478 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 3.980 3.921 0.059 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 3.980 3.921 0.059 1
1 12 . 19 1 1 A 7 7 GLY C C 7 174.337 174.761 -0.424 1
1 13 . 19 1 1 A 8 8 GLU N N 8 120.775 119.706 1.069 1
1 14 . 19 1 1 A 8 8 GLU H H 8 8.343 8.569 -0.226 1
1 15 . 19 1 1 A 8 8 GLU CA C 8 56.857 57.097 -0.240 1
1 16 . 19 1 1 A 8 8 GLU HA H 8 4.297 4.578 -0.281 1
1 17 . 19 1 1 A 8 8 GLU CB C 8 30.354 31.949 -1.595 1
1 23 . 19 1 1 A 8 8 GLU C C 8 177.082 176.706 0.376 1
1 24 . 19 1 1 A 9 9 GLY N N 9 109.791 105.053 4.738 1
1 25 . 19 1 1 A 9 9 GLY H H 9 8.472 7.698 0.774 1
1 26 . 19 1 1 A 9 9 GLY CA C 9 45.201 45.548 -0.347 1
1 27 . 19 1 1 A 9 9 GLY HA2 H 9 3.962 4.090 -0.128 1
1 28 . 19 1 1 A 9 9 GLY HA3 H 9 3.962 4.092 -0.130 1
1 29 . 19 1 1 A 9 9 GLY C C 9 173.936 174.099 -0.163 1
1 30 . 19 1 1 A 10 10 GLU N N 10 120.213 122.571 -2.358 1
1 31 . 19 1 1 A 10 10 GLU H H 10 8.203 8.462 -0.259 1
1 32 . 19 1 1 A 10 10 GLU CA C 10 56.464 56.308 0.156 1
1 33 . 19 1 1 A 10 10 GLU HA H 10 4.280 4.480 -0.200 1
1 34 . 19 1 1 A 10 10 GLU CB C 10 30.387 31.013 -0.626 1
1 40 . 19 1 1 A 10 10 GLU C C 10 176.324 175.885 0.439 1
1 41 . 19 1 1 A 11 11 LYS N N 11 123.251 125.640 -2.389 1
1 42 . 19 1 1 A 11 11 LYS H H 11 8.292 8.479 -0.187 1
1 43 . 19 1 1 A 11 11 LYS CA C 11 54.057 53.150 0.907 1
1 44 . 19 1 1 A 11 11 LYS HA H 11 4.538 4.804 -0.266 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 32.749 33.668 -0.919 1
1 57 . 19 1 1 A 12 12 PRO CA C 12 63.124 64.104 -0.980 1
1 58 . 19 1 1 A 12 12 PRO HA H 12 4.435 4.291 0.144 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.125 31.409 0.716 1
1 68 . 19 1 1 A 12 12 PRO C C 12 176.448 175.724 0.724 1
1 69 . 19 1 1 A 13 13 TYR N N 13 119.740 117.864 1.876 1
1 70 . 19 1 1 A 13 13 TYR H H 13 8.457 7.756 0.701 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.356 56.294 1.062 1
1 72 . 19 1 1 A 13 13 TYR HA H 13 4.537 4.950 -0.413 1
1 73 . 19 1 1 A 13 13 TYR CB C 13 38.918 38.127 0.791 1
1 84 . 19 1 1 A 13 13 TYR C C 13 174.408 174.165 0.243 1
1 85 . 19 1 1 A 14 14 GLN N N 14 122.442 124.667 -2.225 1
1 86 . 19 1 1 A 14 14 GLN H H 14 8.482 9.059 -0.577 1
1 87 . 19 1 1 A 14 14 GLN CA C 14 54.562 54.127 0.435 1
1 88 . 19 1 1 A 14 14 GLN HA H 14 4.996 5.382 -0.386 1
1 89 . 19 1 1 A 14 14 GLN CB C 14 31.639 32.625 -0.986 1
1 98 . 19 1 1 A 14 14 GLN C C 14 175.180 175.015 0.165 1
1 99 . 19 1 1 A 15 15 CYS N N 15 128.228 126.260 1.968 1
1 100 . 19 1 1 A 15 15 CYS H H 15 9.319 9.235 0.084 1
1 101 . 19 1 1 A 15 15 CYS CA C 15 59.809 59.098 0.711 1
1 102 . 19 1 1 A 15 15 CYS HA H 15 4.710 4.995 -0.285 1
1 103 . 19 1 1 A 15 15 CYS CB C 15 30.177 28.605 1.572 1
1 106 . 19 1 1 A 15 15 CYS C C 15 177.750 175.939 1.811 1
1 107 . 19 1 1 A 16 16 SER N N 16 128.171 123.213 4.958 1
1 108 . 19 1 1 A 16 16 SER H H 16 9.434 9.037 0.397 1
1 109 . 19 1 1 A 16 16 SER CA C 16 60.913 61.701 -0.788 1
1 110 . 19 1 1 A 16 16 SER HA H 16 4.299 4.254 0.045 1
1 111 . 19 1 1 A 16 16 SER CB C 16 63.126 62.574 0.552 1
1 114 . 19 1 1 A 16 16 SER C C 16 174.606 176.389 -1.783 1
1 115 . 19 1 1 A 17 17 GLU N N 17 124.574 121.674 2.900 1
1 116 . 19 1 1 A 17 17 GLU H H 17 9.028 7.902 1.126 1
1 117 . 19 1 1 A 17 17 GLU CA C 17 57.949 59.018 -1.069 1
1 118 . 19 1 1 A 17 17 GLU HA H 17 4.338 3.750 0.588 1
1 119 . 19 1 1 A 17 17 GLU CB C 17 29.942 28.745 1.197 1
1 125 . 19 1 1 A 17 17 GLU C C 17 177.060 177.645 -0.585 1
1 126 . 19 1 1 A 18 18 CYS N N 18 114.918 114.634 0.284 1
1 127 . 19 1 1 A 18 18 CYS H H 18 8.089 7.726 0.363 1
1 128 . 19 1 1 A 18 18 CYS CA C 18 58.331 59.571 -1.240 1
1 129 . 19 1 1 A 18 18 CYS HA H 18 5.177 4.623 0.554 1
1 130 . 19 1 1 A 18 18 CYS CB C 18 32.407 29.790 2.617 1
1 133 . 19 1 1 A 18 18 CYS C C 18 176.482 175.455 1.027 1
1 134 . 19 1 1 A 19 19 GLY N N 19 113.022 109.791 3.231 1
1 135 . 19 1 1 A 19 19 GLY H H 19 8.104 8.123 -0.019 1
1 136 . 19 1 1 A 19 19 GLY CA C 19 46.298 45.788 0.510 1
1 137 . 19 1 1 A 19 19 GLY HA2 H 19 3.856 4.047 -0.191 1
1 138 . 19 1 1 A 19 19 GLY HA3 H 19 4.240 4.058 0.182 1
1 139 . 19 1 1 A 19 19 GLY C C 19 173.951 173.953 -0.002 1
1 140 . 19 1 1 A 20 20 LYS N N 20 122.753 119.450 3.303 1
1 141 . 19 1 1 A 20 20 LYS H H 20 7.932 7.505 0.427 1
1 142 . 19 1 1 A 20 20 LYS CA C 20 57.933 54.014 3.919 1
1 143 . 19 1 1 A 20 20 LYS HA H 20 4.092 4.703 -0.611 1
1 144 . 19 1 1 A 20 20 LYS CB C 20 33.918 35.343 -1.425 1
1 156 . 19 1 1 A 20 20 LYS C C 20 174.553 174.823 -0.270 1
1 157 . 19 1 1 A 21 21 SER N N 21 115.470 115.954 -0.484 1
1 158 . 19 1 1 A 21 21 SER H H 21 7.982 8.493 -0.511 1
1 159 . 19 1 1 A 21 21 SER CA C 21 57.450 55.994 1.456 1
1 160 . 19 1 1 A 21 21 SER HA H 21 5.207 5.461 -0.254 1
1 161 . 19 1 1 A 21 21 SER CB C 21 65.453 66.540 -1.087 1
1 164 . 19 1 1 A 21 21 SER C C 21 173.111 172.393 0.718 1
1 165 . 19 1 1 A 22 22 PHE N N 22 119.199 122.148 -2.949 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.655 8.405 0.250 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.484 56.700 0.784 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.682 4.883 -0.201 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 44.042 43.123 0.919 1
1 182 . 19 1 1 A 22 22 PHE C C 22 175.277 175.058 0.219 1
1 183 . 19 1 1 A 23 23 SER CA C 23 58.896 58.254 0.642 1
1 184 . 19 1 1 A 23 23 SER HA H 23 4.571 4.763 -0.192 1
1 185 . 19 1 1 A 23 23 SER CB C 23 63.524 62.946 0.578 1
1 188 . 19 1 1 A 23 23 SER C C 23 174.297 173.506 0.791 1
1 189 . 19 1 1 A 24 24 GLY N N 24 109.456 108.650 0.806 1
1 190 . 19 1 1 A 24 24 GLY H H 24 7.551 7.323 0.228 1
1 191 . 19 1 1 A 24 24 GLY CA C 24 44.838 45.549 -0.711 1
1 192 . 19 1 1 A 24 24 GLY HA2 H 24 4.047 3.773 0.274 1
1 193 . 19 1 1 A 24 24 GLY HA3 H 24 3.727 3.956 -0.229 1
1 194 . 19 1 1 A 24 24 GLY C C 24 172.500 173.909 -1.409 1
1 195 . 19 1 1 A 25 25 SER N N 25 115.599 115.996 -0.397 1
1 196 . 19 1 1 A 25 25 SER H H 25 8.260 8.679 -0.419 1
1 197 . 19 1 1 A 25 25 SER CA C 25 60.846 61.182 -0.336 1
1 198 . 19 1 1 A 25 25 SER HA H 25 3.496 3.858 -0.362 1
1 199 . 19 1 1 A 25 25 SER CB C 25 62.665 62.753 -0.088 1
1 202 . 19 1 1 A 25 25 SER C C 25 176.919 176.109 0.810 1
1 203 . 19 1 1 A 26 26 TYR CA C 26 61.467 61.683 -0.216 1
1 204 . 19 1 1 A 26 26 TYR HA H 26 4.248 3.955 0.293 1
1 205 . 19 1 1 A 26 26 TYR CB C 26 37.421 38.349 -0.928 1
1 216 . 19 1 1 A 26 26 TYR C C 26 177.866 177.209 0.657 1
1 217 . 19 1 1 A 27 27 ARG N N 27 118.122 117.410 0.712 1
1 218 . 19 1 1 A 27 27 ARG H H 27 8.045 8.086 -0.041 1
1 219 . 19 1 1 A 27 27 ARG CA C 27 58.511 59.323 -0.812 1
1 220 . 19 1 1 A 27 27 ARG HA H 27 3.782 3.914 -0.132 1
1 221 . 19 1 1 A 27 27 ARG CB C 27 29.795 29.974 -0.179 1
1 230 . 19 1 1 A 27 27 ARG C C 27 179.215 178.536 0.679 1
1 231 . 19 1 1 A 28 28 LEU N N 28 120.580 120.934 -0.354 1
1 232 . 19 1 1 A 28 28 LEU H H 28 7.278 7.320 -0.042 1
1 233 . 19 1 1 A 28 28 LEU CA C 28 58.166 57.971 0.195 1
1 234 . 19 1 1 A 28 28 LEU HA H 28 3.418 3.429 -0.011 1
1 235 . 19 1 1 A 28 28 LEU CB C 28 40.627 41.863 -1.236 1
1 248 . 19 1 1 A 28 28 LEU C C 28 177.435 178.409 -0.974 1
1 249 . 19 1 1 A 29 29 THR N N 29 116.295 114.038 2.257 1
1 250 . 19 1 1 A 29 29 THR H H 29 8.312 7.797 0.515 1
1 251 . 19 1 1 A 29 29 THR CA C 29 66.882 65.883 0.999 1
1 252 . 19 1 1 A 29 29 THR HA H 29 3.772 3.482 0.290 1
1 253 . 19 1 1 A 29 29 THR CB C 29 68.537 68.174 0.363 1
1 259 . 19 1 1 A 29 29 THR C C 29 176.805 176.323 0.482 1
1 260 . 19 1 1 A 30 30 GLN N N 30 118.689 118.796 -0.107 1
1 261 . 19 1 1 A 30 30 GLN H H 30 7.785 8.214 -0.429 1
1 262 . 19 1 1 A 30 30 GLN CA C 30 58.073 57.895 0.178 1
1 263 . 19 1 1 A 30 30 GLN HA H 30 3.872 4.001 -0.129 1
1 264 . 19 1 1 A 30 30 GLN CB C 30 28.779 28.176 0.603 1
1 273 . 19 1 1 A 30 30 GLN C C 30 178.292 178.037 0.255 1
1 274 . 19 1 1 A 31 31 HIS N N 31 118.694 119.389 -0.695 1
1 275 . 19 1 1 A 31 31 HIS H H 31 7.558 7.966 -0.408 1
1 276 . 19 1 1 A 31 31 HIS CA C 31 58.746 58.953 -0.207 1
1 277 . 19 1 1 A 31 31 HIS HA H 31 4.210 4.181 0.029 1
1 278 . 19 1 1 A 31 31 HIS CB C 31 27.916 29.704 -1.788 1
1 285 . 19 1 1 A 31 31 HIS C C 31 177.522 177.347 0.175 1
1 286 . 19 1 1 A 32 32 TRP N N 32 122.468 118.806 3.662 1
1 287 . 19 1 1 A 32 32 TRP H H 32 8.802 8.534 0.268 1
1 288 . 19 1 1 A 32 32 TRP CA C 32 61.090 60.373 0.717 1
1 289 . 19 1 1 A 32 32 TRP HA H 32 4.042 4.356 -0.314 1
1 290 . 19 1 1 A 32 32 TRP CB C 32 29.312 29.234 0.078 1
1 305 . 19 1 1 A 32 32 TRP C C 32 177.947 179.022 -1.075 1
1 306 . 19 1 1 A 33 33 ILE N N 33 116.053 120.377 -4.324 1
1 307 . 19 1 1 A 33 33 ILE H H 33 7.288 7.966 -0.678 1
1 308 . 19 1 1 A 33 33 ILE CA C 33 63.891 65.147 -1.256 1
1 309 . 19 1 1 A 33 33 ILE HA H 33 3.827 3.628 0.199 1
1 310 . 19 1 1 A 33 33 ILE CB C 33 38.065 37.565 0.500 1
1 323 . 19 1 1 A 33 33 ILE C C 33 177.979 178.177 -0.198 1
1 324 . 19 1 1 A 34 34 THR N N 34 111.457 113.720 -2.263 1
1 325 . 19 1 1 A 34 34 THR H H 34 7.640 8.239 -0.599 1
1 326 . 19 1 1 A 34 34 THR CA C 34 64.307 65.523 -1.216 1
1 327 . 19 1 1 A 34 34 THR HA H 34 3.990 4.028 -0.038 1
1 328 . 19 1 1 A 34 34 THR CB C 34 69.088 68.040 1.048 1
1 334 . 19 1 1 A 34 34 THR C C 34 175.690 176.758 -1.068 1
1 335 . 19 1 1 A 35 35 HIS N N 35 118.326 119.363 -1.037 1
1 336 . 19 1 1 A 35 35 HIS H H 35 7.247 7.332 -0.085 1
1 337 . 19 1 1 A 35 35 HIS CA C 35 55.628 59.028 -3.400 1
1 338 . 19 1 1 A 35 35 HIS HA H 35 4.735 4.288 0.447 1
1 339 . 19 1 1 A 35 35 HIS CB C 35 28.391 31.189 -2.798 1
1 346 . 19 1 1 A 35 35 HIS C C 35 175.573 176.377 -0.804 1
1 347 . 19 1 1 A 36 36 THR N N 36 113.348 113.677 -0.329 1
1 348 . 19 1 1 A 36 36 THR H H 36 7.747 7.950 -0.203 1
1 349 . 19 1 1 A 36 36 THR CA C 36 62.742 61.378 1.364 1
1 350 . 19 1 1 A 36 36 THR HA H 36 4.251 4.400 -0.149 1
1 351 . 19 1 1 A 36 36 THR CB C 36 69.711 67.406 2.305 1
1 357 . 19 1 1 A 36 36 THR C C 36 174.653 174.630 0.023 1
1 358 . 19 1 1 A 37 37 ARG N N 37 122.448 120.584 1.864 1
1 359 . 19 1 1 A 37 37 ARG H H 37 8.143 7.934 0.209 1
1 360 . 19 1 1 A 37 37 ARG CA C 37 56.220 57.488 -1.268 1
1 361 . 19 1 1 A 37 37 ARG HA H 37 4.335 4.399 -0.064 1
1 362 . 19 1 1 A 37 37 ARG CB C 37 30.719 31.613 -0.894 1
1 371 . 19 1 1 A 37 37 ARG C C 37 176.124 176.905 -0.781 1
1 372 . 19 1 1 A 38 38 GLU N N 38 121.219 118.736 2.483 1
1 373 . 19 1 1 A 38 38 GLU H H 38 8.216 7.926 0.290 1
1 374 . 19 1 1 A 38 38 GLU CA C 38 56.497 56.784 -0.287 1
1 375 . 19 1 1 A 38 38 GLU HA H 38 4.255 4.416 -0.161 1
1 376 . 19 1 1 A 38 38 GLU CB C 38 30.410 30.631 -0.221 1
1 382 . 19 1 1 A 38 38 GLU C C 38 176.132 176.408 -0.276 1
1 383 . 19 1 1 A 39 39 LYS N N 39 123.433 121.308 2.125 1
1 384 . 19 1 1 A 39 39 LYS H H 39 8.290 8.453 -0.163 1
1 385 . 19 1 1 A 39 39 LYS CA C 39 54.206 55.432 -1.226 1
1 386 . 19 1 1 A 39 39 LYS HA H 39 4.575 4.294 0.281 1
1 387 . 19 1 1 A 39 39 LYS CB C 39 32.516 31.896 0.620 1
1 396 . 19 1 1 A 39 39 LYS C C 39 174.396 176.415 -2.019 1
1 397 . 19 1 1 A 40 40 PRO CA C 40 63.205 64.072 -0.867 1
1 398 . 19 1 1 A 40 40 PRO HA H 40 4.463 4.439 0.024 1
1 399 . 19 1 1 A 40 40 PRO CB C 40 32.160 31.641 0.519 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.504 58.770 -0.266 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.481 4.595 -0.114 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.922 64.225 -0.303 1
1 6 . 20 1 1 A 6 6 SER C C 6 175.079 174.377 0.702 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.906 108.540 2.366 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.456 8.319 0.137 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.320 43.908 1.412 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 3.980 4.292 -0.312 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 3.980 4.292 -0.312 1
1 12 . 20 1 1 A 7 7 GLY C C 7 174.337 172.573 1.764 1
1 13 . 20 1 1 A 8 8 GLU N N 8 120.775 120.192 0.583 1
1 14 . 20 1 1 A 8 8 GLU H H 8 8.343 8.754 -0.411 1
1 15 . 20 1 1 A 8 8 GLU CA C 8 56.857 58.227 -1.370 1
1 16 . 20 1 1 A 8 8 GLU HA H 8 4.297 4.143 0.154 1
1 17 . 20 1 1 A 8 8 GLU CB C 8 30.354 29.283 1.071 1
1 23 . 20 1 1 A 8 8 GLU C C 8 177.082 176.742 0.340 1
1 24 . 20 1 1 A 9 9 GLY N N 9 109.791 110.206 -0.415 1
1 25 . 20 1 1 A 9 9 GLY H H 9 8.472 8.519 -0.047 1
1 26 . 20 1 1 A 9 9 GLY CA C 9 45.201 44.273 0.928 1
1 27 . 20 1 1 A 9 9 GLY HA2 H 9 3.962 4.148 -0.186 1
1 28 . 20 1 1 A 9 9 GLY HA3 H 9 3.962 4.149 -0.187 1
1 29 . 20 1 1 A 9 9 GLY C C 9 173.936 172.254 1.682 1
1 30 . 20 1 1 A 10 10 GLU N N 10 120.213 120.793 -0.580 1
1 31 . 20 1 1 A 10 10 GLU H H 10 8.203 8.519 -0.316 1
1 32 . 20 1 1 A 10 10 GLU CA C 10 56.464 54.890 1.574 1
1 33 . 20 1 1 A 10 10 GLU HA H 10 4.280 4.927 -0.647 1
1 34 . 20 1 1 A 10 10 GLU CB C 10 30.387 31.704 -1.317 1
1 40 . 20 1 1 A 10 10 GLU C C 10 176.324 176.036 0.288 1
1 41 . 20 1 1 A 11 11 LYS N N 11 123.251 125.721 -2.470 1
1 42 . 20 1 1 A 11 11 LYS H H 11 8.292 8.687 -0.395 1
1 43 . 20 1 1 A 11 11 LYS CA C 11 54.057 55.082 -1.025 1
1 44 . 20 1 1 A 11 11 LYS HA H 11 4.538 4.599 -0.061 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 32.749 32.435 0.314 1
1 57 . 20 1 1 A 12 12 PRO CA C 12 63.124 64.292 -1.168 1
1 58 . 20 1 1 A 12 12 PRO HA H 12 4.435 4.311 0.124 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.125 31.378 0.747 1
1 68 . 20 1 1 A 12 12 PRO C C 12 176.448 175.869 0.579 1
1 69 . 20 1 1 A 13 13 TYR N N 13 119.740 118.147 1.593 1
1 70 . 20 1 1 A 13 13 TYR H H 13 8.457 7.574 0.883 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.356 56.607 0.749 1
1 72 . 20 1 1 A 13 13 TYR HA H 13 4.537 5.241 -0.704 1
1 73 . 20 1 1 A 13 13 TYR CB C 13 38.918 40.186 -1.268 1
1 84 . 20 1 1 A 13 13 TYR C C 13 174.408 174.224 0.184 1
1 85 . 20 1 1 A 14 14 GLN N N 14 122.442 125.632 -3.190 1
1 86 . 20 1 1 A 14 14 GLN H H 14 8.482 9.027 -0.545 1
1 87 . 20 1 1 A 14 14 GLN CA C 14 54.562 54.696 -0.134 1
1 88 . 20 1 1 A 14 14 GLN HA H 14 4.996 5.009 -0.013 1
1 89 . 20 1 1 A 14 14 GLN CB C 14 31.639 32.090 -0.451 1
1 98 . 20 1 1 A 14 14 GLN C C 14 175.180 174.921 0.259 1
1 99 . 20 1 1 A 15 15 CYS N N 15 128.228 126.229 1.999 1
1 100 . 20 1 1 A 15 15 CYS H H 15 9.319 9.113 0.206 1
1 101 . 20 1 1 A 15 15 CYS CA C 15 59.809 60.482 -0.673 1
1 102 . 20 1 1 A 15 15 CYS HA H 15 4.710 4.778 -0.068 1
1 103 . 20 1 1 A 15 15 CYS CB C 15 30.177 29.181 0.996 1
1 106 . 20 1 1 A 15 15 CYS C C 15 177.750 176.450 1.300 1
1 107 . 20 1 1 A 16 16 SER N N 16 128.171 120.393 7.778 1
1 108 . 20 1 1 A 16 16 SER H H 16 9.434 8.906 0.528 1
1 109 . 20 1 1 A 16 16 SER CA C 16 60.913 57.849 3.064 1
1 110 . 20 1 1 A 16 16 SER HA H 16 4.299 4.644 -0.345 1
1 111 . 20 1 1 A 16 16 SER CB C 16 63.126 63.164 -0.038 1
1 114 . 20 1 1 A 16 16 SER C C 16 174.606 174.051 0.555 1
1 115 . 20 1 1 A 17 17 GLU N N 17 124.574 119.014 5.560 1
1 116 . 20 1 1 A 17 17 GLU H H 17 9.028 7.356 1.672 1
1 117 . 20 1 1 A 17 17 GLU CA C 17 57.949 56.889 1.060 1
1 118 . 20 1 1 A 17 17 GLU HA H 17 4.338 4.354 -0.016 1
1 119 . 20 1 1 A 17 17 GLU CB C 17 29.942 31.712 -1.770 1
1 125 . 20 1 1 A 17 17 GLU C C 17 177.060 177.851 -0.791 1
1 126 . 20 1 1 A 18 18 CYS N N 18 114.918 114.699 0.219 1
1 127 . 20 1 1 A 18 18 CYS H H 18 8.089 7.497 0.592 1
1 128 . 20 1 1 A 18 18 CYS CA C 18 58.331 59.468 -1.137 1
1 129 . 20 1 1 A 18 18 CYS HA H 18 5.177 4.649 0.528 1
1 130 . 20 1 1 A 18 18 CYS CB C 18 32.407 30.108 2.299 1
1 133 . 20 1 1 A 18 18 CYS C C 18 176.482 175.593 0.889 1
1 134 . 20 1 1 A 19 19 GLY N N 19 113.022 110.035 2.987 1
1 135 . 20 1 1 A 19 19 GLY H H 19 8.104 8.106 -0.002 1
1 136 . 20 1 1 A 19 19 GLY CA C 19 46.298 45.138 1.160 1
1 137 . 20 1 1 A 19 19 GLY HA2 H 19 3.856 4.051 -0.195 1
1 138 . 20 1 1 A 19 19 GLY HA3 H 19 4.240 4.063 0.177 1
1 139 . 20 1 1 A 19 19 GLY C C 19 173.951 174.320 -0.369 1
1 140 . 20 1 1 A 20 20 LYS N N 20 122.753 122.268 0.485 1
1 141 . 20 1 1 A 20 20 LYS H H 20 7.932 7.927 0.005 1
1 142 . 20 1 1 A 20 20 LYS CA C 20 57.933 55.311 2.622 1
1 143 . 20 1 1 A 20 20 LYS HA H 20 4.092 4.436 -0.344 1
1 144 . 20 1 1 A 20 20 LYS CB C 20 33.918 33.530 0.388 1
1 156 . 20 1 1 A 20 20 LYS C C 20 174.553 175.245 -0.692 1
1 157 . 20 1 1 A 21 21 SER N N 21 115.470 121.399 -5.929 1
1 158 . 20 1 1 A 21 21 SER H H 21 7.982 8.251 -0.269 1
1 159 . 20 1 1 A 21 21 SER CA C 21 57.450 56.435 1.015 1
1 160 . 20 1 1 A 21 21 SER HA H 21 5.207 5.387 -0.180 1
1 161 . 20 1 1 A 21 21 SER CB C 21 65.453 66.513 -1.060 1
1 164 . 20 1 1 A 21 21 SER C C 21 173.111 172.412 0.699 1
1 165 . 20 1 1 A 22 22 PHE N N 22 119.199 120.437 -1.238 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.655 8.237 0.418 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.484 56.601 0.883 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.682 5.061 -0.379 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 44.042 43.987 0.055 1
1 182 . 20 1 1 A 22 22 PHE C C 22 175.277 174.347 0.930 1
1 183 . 20 1 1 A 23 23 SER CA C 23 58.896 57.402 1.494 1
1 184 . 20 1 1 A 23 23 SER HA H 23 4.571 4.867 -0.296 1
1 185 . 20 1 1 A 23 23 SER CB C 23 63.524 63.523 0.001 1
1 188 . 20 1 1 A 23 23 SER C C 23 174.297 173.582 0.715 1
1 189 . 20 1 1 A 24 24 GLY N N 24 109.456 110.919 -1.463 1
1 190 . 20 1 1 A 24 24 GLY H H 24 7.551 7.318 0.233 1
1 191 . 20 1 1 A 24 24 GLY CA C 24 44.838 45.262 -0.424 1
1 192 . 20 1 1 A 24 24 GLY HA2 H 24 4.047 3.908 0.139 1
1 193 . 20 1 1 A 24 24 GLY HA3 H 24 3.727 4.058 -0.331 1
1 194 . 20 1 1 A 24 24 GLY C C 24 172.500 173.999 -1.499 1
1 195 . 20 1 1 A 25 25 SER N N 25 115.599 115.829 -0.230 1
1 196 . 20 1 1 A 25 25 SER H H 25 8.260 8.301 -0.041 1
1 197 . 20 1 1 A 25 25 SER CA C 25 60.846 60.781 0.065 1
1 198 . 20 1 1 A 25 25 SER HA H 25 3.496 3.653 -0.157 1
1 199 . 20 1 1 A 25 25 SER CB C 25 62.665 62.520 0.145 1
1 202 . 20 1 1 A 25 25 SER C C 25 176.919 175.955 0.964 1
1 203 . 20 1 1 A 26 26 TYR CA C 26 61.467 62.157 -0.690 1
1 204 . 20 1 1 A 26 26 TYR HA H 26 4.248 3.871 0.377 1
1 205 . 20 1 1 A 26 26 TYR CB C 26 37.421 38.766 -1.345 1
1 216 . 20 1 1 A 26 26 TYR C C 26 177.866 177.199 0.667 1
1 217 . 20 1 1 A 27 27 ARG N N 27 118.122 119.053 -0.931 1
1 218 . 20 1 1 A 27 27 ARG H H 27 8.045 8.026 0.019 1
1 219 . 20 1 1 A 27 27 ARG CA C 27 58.511 59.389 -0.878 1
1 220 . 20 1 1 A 27 27 ARG HA H 27 3.782 4.114 -0.332 1
1 221 . 20 1 1 A 27 27 ARG CB C 27 29.795 30.282 -0.487 1
1 230 . 20 1 1 A 27 27 ARG C C 27 179.215 177.906 1.309 1
1 231 . 20 1 1 A 28 28 LEU N N 28 120.580 121.223 -0.643 1
1 232 . 20 1 1 A 28 28 LEU H H 28 7.278 7.515 -0.237 1
1 233 . 20 1 1 A 28 28 LEU CA C 28 58.166 58.364 -0.198 1
1 234 . 20 1 1 A 28 28 LEU HA H 28 3.418 2.902 0.516 1
1 235 . 20 1 1 A 28 28 LEU CB C 28 40.627 41.750 -1.123 1
1 248 . 20 1 1 A 28 28 LEU C C 28 177.435 178.447 -1.012 1
1 249 . 20 1 1 A 29 29 THR N N 29 116.295 113.859 2.436 1
1 250 . 20 1 1 A 29 29 THR H H 29 8.312 7.919 0.393 1
1 251 . 20 1 1 A 29 29 THR CA C 29 66.882 65.597 1.285 1
1 252 . 20 1 1 A 29 29 THR HA H 29 3.772 3.524 0.248 1
1 253 . 20 1 1 A 29 29 THR CB C 29 68.537 68.685 -0.148 1
1 259 . 20 1 1 A 29 29 THR C C 29 176.805 176.239 0.566 1
1 260 . 20 1 1 A 30 30 GLN N N 30 118.689 118.604 0.085 1
1 261 . 20 1 1 A 30 30 GLN H H 30 7.785 7.725 0.060 1
1 262 . 20 1 1 A 30 30 GLN CA C 30 58.073 58.505 -0.432 1
1 263 . 20 1 1 A 30 30 GLN HA H 30 3.872 3.891 -0.019 1
1 264 . 20 1 1 A 30 30 GLN CB C 30 28.779 28.087 0.692 1
1 273 . 20 1 1 A 30 30 GLN C C 30 178.292 178.347 -0.055 1
1 274 . 20 1 1 A 31 31 HIS N N 31 118.694 121.006 -2.312 1
1 275 . 20 1 1 A 31 31 HIS H H 31 7.558 8.054 -0.496 1
1 276 . 20 1 1 A 31 31 HIS CA C 31 58.746 58.968 -0.222 1
1 277 . 20 1 1 A 31 31 HIS HA H 31 4.210 4.214 -0.004 1
1 278 . 20 1 1 A 31 31 HIS CB C 31 27.916 30.100 -2.184 1
1 285 . 20 1 1 A 31 31 HIS C C 31 177.522 177.277 0.245 1
1 286 . 20 1 1 A 32 32 TRP N N 32 122.468 118.696 3.772 1
1 287 . 20 1 1 A 32 32 TRP H H 32 8.802 8.675 0.127 1
1 288 . 20 1 1 A 32 32 TRP CA C 32 61.090 60.144 0.946 1
1 289 . 20 1 1 A 32 32 TRP HA H 32 4.042 4.290 -0.248 1
1 290 . 20 1 1 A 32 32 TRP CB C 32 29.312 29.225 0.087 1
1 305 . 20 1 1 A 32 32 TRP C C 32 177.947 178.881 -0.934 1
1 306 . 20 1 1 A 33 33 ILE N N 33 116.053 120.447 -4.394 1
1 307 . 20 1 1 A 33 33 ILE H H 33 7.288 7.966 -0.678 1
1 308 . 20 1 1 A 33 33 ILE CA C 33 63.891 64.971 -1.080 1
1 309 . 20 1 1 A 33 33 ILE HA H 33 3.827 3.557 0.270 1
1 310 . 20 1 1 A 33 33 ILE CB C 33 38.065 37.895 0.170 1
1 323 . 20 1 1 A 33 33 ILE C C 33 177.979 178.122 -0.143 1
1 324 . 20 1 1 A 34 34 THR N N 34 111.457 112.927 -1.470 1
1 325 . 20 1 1 A 34 34 THR H H 34 7.640 8.231 -0.591 1
1 326 . 20 1 1 A 34 34 THR CA C 34 64.307 65.200 -0.893 1
1 327 . 20 1 1 A 34 34 THR HA H 34 3.990 4.070 -0.080 1
1 328 . 20 1 1 A 34 34 THR CB C 34 69.088 68.049 1.039 1
1 334 . 20 1 1 A 34 34 THR C C 34 175.690 176.451 -0.761 1
1 335 . 20 1 1 A 35 35 HIS N N 35 118.326 119.919 -1.593 1
1 336 . 20 1 1 A 35 35 HIS H H 35 7.247 7.559 -0.312 1
1 337 . 20 1 1 A 35 35 HIS CA C 35 55.628 59.240 -3.612 1
1 338 . 20 1 1 A 35 35 HIS HA H 35 4.735 4.327 0.408 1
1 339 . 20 1 1 A 35 35 HIS CB C 35 28.391 31.378 -2.987 1
1 346 . 20 1 1 A 35 35 HIS C C 35 175.573 176.908 -1.335 1
1 347 . 20 1 1 A 36 36 THR N N 36 113.348 114.656 -1.308 1
1 348 . 20 1 1 A 36 36 THR H H 36 7.747 8.160 -0.413 1
1 349 . 20 1 1 A 36 36 THR CA C 36 62.742 64.063 -1.321 1
1 350 . 20 1 1 A 36 36 THR HA H 36 4.251 4.152 0.099 1
1 351 . 20 1 1 A 36 36 THR CB C 36 69.711 69.231 0.480 1
1 357 . 20 1 1 A 36 36 THR C C 36 174.653 176.513 -1.860 1
1 358 . 20 1 1 A 37 37 ARG N N 37 122.448 119.173 3.275 1
1 359 . 20 1 1 A 37 37 ARG H H 37 8.143 7.802 0.341 1
1 360 . 20 1 1 A 37 37 ARG CA C 37 56.220 59.475 -3.255 1
1 361 . 20 1 1 A 37 37 ARG HA H 37 4.335 4.301 0.034 1
1 362 . 20 1 1 A 37 37 ARG CB C 37 30.719 30.697 0.022 1
1 371 . 20 1 1 A 37 37 ARG C C 37 176.124 176.624 -0.500 1
1 372 . 20 1 1 A 38 38 GLU N N 38 121.219 119.924 1.295 1
1 373 . 20 1 1 A 38 38 GLU H H 38 8.216 7.374 0.842 1
1 374 . 20 1 1 A 38 38 GLU CA C 38 56.497 56.729 -0.232 1
1 375 . 20 1 1 A 38 38 GLU HA H 38 4.255 4.181 0.074 1
1 376 . 20 1 1 A 38 38 GLU CB C 38 30.410 29.759 0.651 1
1 382 . 20 1 1 A 38 38 GLU C C 38 176.132 176.460 -0.328 1
1 383 . 20 1 1 A 39 39 LYS N N 39 123.433 127.127 -3.694 1
1 384 . 20 1 1 A 39 39 LYS H H 39 8.290 8.136 0.154 1
1 385 . 20 1 1 A 39 39 LYS CA C 39 54.206 55.095 -0.889 1
1 386 . 20 1 1 A 39 39 LYS HA H 39 4.575 4.239 0.336 1
1 387 . 20 1 1 A 39 39 LYS CB C 39 32.516 32.912 -0.396 1
1 396 . 20 1 1 A 39 39 LYS C C 39 174.396 175.293 -0.897 1
1 397 . 20 1 1 A 40 40 PRO CA C 40 63.205 62.466 0.739 1
1 398 . 20 1 1 A 40 40 PRO HA H 40 4.463 4.615 -0.152 1
1 399 . 20 1 1 A 40 40 PRO CB C 40 32.160 31.325 0.835 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 33 1.076 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.087 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.104 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.495 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.289 1
6 1 1 1 "RMS(OBS, PRED)" N 30 3.221 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.974 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.309 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.195 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.590 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.299 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.857 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.951 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.208 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.094 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.417 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.299 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.430 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.027 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.451 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.346 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.540 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.291 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.832 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.127 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.628 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.473 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.502 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.390 1
30 1 5 1 "RMS(OBS, PRED)" N 30 3.198 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.765 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.360 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.417 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.473 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.374 1
36 1 6 1 "RMS(OBS, PRED)" N 30 3.402 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.848 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.546 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.449 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.445 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.326 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.626 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.135 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.518 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.358 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.462 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.352 1
48 1 8 1 "RMS(OBS, PRED)" N 30 3.099 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.956 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.581 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 0.996 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.528 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.284 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.801 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.088 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.486 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.336 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.505 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.368 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.670 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.037 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.387 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.364 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.520 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.335 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.979 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.958 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.392 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.289 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.524 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.334 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.460 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.962 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.349 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.397 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.462 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.340 1
78 1 13 1 "RMS(OBS, PRED)" N 30 3.003 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.945 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.317 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.173 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.525 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.294 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.399 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.108 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.010 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.357 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.506 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.297 1
90 1 15 1 "RMS(OBS, PRED)" N 30 3.218 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.141 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.462 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.381 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.520 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.365 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.488 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.847 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.388 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.508 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.586 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.318 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.842 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.010 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 1.485 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.182 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.489 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.345 1
108 1 18 1 "RMS(OBS, PRED)" N 30 3.006 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.873 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.239 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.270 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.444 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.273 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.562 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.928 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.412 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.100 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.515 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.290 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.920 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 6 6 SER CA C 6 58.504 58.159 0.345 2
1 2 . 1 1 A 6 6 SER HA H 6 4.481 4.751 -0.270 2
1 3 . 1 1 A 6 6 SER CB C 6 63.922 64.500 -0.578 2
1 6 . 1 1 A 6 6 SER C C 6 175.079 174.276 0.803 2
1 7 . 1 1 A 7 7 GLY N N 7 110.906 111.840 -0.934 2
1 8 . 1 1 A 7 7 GLY H H 7 8.456 8.463 -0.007 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.320 45.877 -0.557 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 3.980 3.996 -0.016 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 3.980 3.997 -0.017 2
1 12 . 1 1 A 7 7 GLY C C 7 174.337 174.159 0.178 2
1 13 . 1 1 A 8 8 GLU N N 8 120.775 121.129 -0.354 2
1 14 . 1 1 A 8 8 GLU H H 8 8.343 8.421 -0.078 2
1 15 . 1 1 A 8 8 GLU CA C 8 56.857 56.480 0.377 2
1 16 . 1 1 A 8 8 GLU HA H 8 4.297 4.526 -0.228 2
1 17 . 1 1 A 8 8 GLU CB C 8 30.354 30.810 -0.456 2
1 23 . 1 1 A 8 8 GLU C C 8 177.082 176.352 0.729 2
1 24 . 1 1 A 9 9 GLY N N 9 109.791 109.341 0.450 2
1 25 . 1 1 A 9 9 GLY H H 9 8.472 8.202 0.270 2
1 26 . 1 1 A 9 9 GLY CA C 9 45.201 45.351 -0.150 2
1 27 . 1 1 A 9 9 GLY HA2 H 9 3.962 4.081 -0.119 2
1 28 . 1 1 A 9 9 GLY HA3 H 9 3.962 4.083 -0.121 2
1 29 . 1 1 A 9 9 GLY C C 9 173.936 173.262 0.674 2
1 30 . 1 1 A 10 10 GLU N N 10 120.213 121.270 -1.057 2
1 31 . 1 1 A 10 10 GLU H H 10 8.203 8.430 -0.227 2
1 32 . 1 1 A 10 10 GLU CA C 10 56.464 55.779 0.685 2
1 33 . 1 1 A 10 10 GLU HA H 10 4.280 4.696 -0.416 2
1 34 . 1 1 A 10 10 GLU CB C 10 30.387 31.031 -0.644 2
1 40 . 1 1 A 10 10 GLU C C 10 176.324 175.894 0.430 2
1 41 . 1 1 A 11 11 LYS N N 11 123.251 124.270 -1.019 2
1 42 . 1 1 A 11 11 LYS H H 11 8.292 8.712 -0.420 2
1 43 . 1 1 A 11 11 LYS CA C 11 54.057 53.588 0.469 2
1 44 . 1 1 A 11 11 LYS HA H 11 4.538 4.661 -0.123 2
1 45 . 1 1 A 11 11 LYS CB C 11 32.749 32.941 -0.192 2
1 57 . 1 1 A 12 12 PRO CA C 12 63.124 64.247 -1.123 2
1 58 . 1 1 A 12 12 PRO HA H 12 4.435 4.356 0.079 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.125 31.559 0.566 2
1 68 . 1 1 A 12 12 PRO C C 12 176.448 175.830 0.618 2
1 69 . 1 1 A 13 13 TYR N N 13 119.740 117.912 1.828 2
1 70 . 1 1 A 13 13 TYR H H 13 8.457 7.721 0.736 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.356 56.594 0.762 2
1 72 . 1 1 A 13 13 TYR HA H 13 4.537 5.019 -0.482 2
1 73 . 1 1 A 13 13 TYR CB C 13 38.918 38.964 -0.046 2
1 84 . 1 1 A 13 13 TYR C C 13 174.408 174.340 0.068 2
1 85 . 1 1 A 14 14 GLN N N 14 122.442 124.498 -2.055 2
1 86 . 1 1 A 14 14 GLN H H 14 8.482 8.729 -0.247 2
1 87 . 1 1 A 14 14 GLN CA C 14 54.562 54.369 0.193 2
1 88 . 1 1 A 14 14 GLN HA H 14 4.996 5.143 -0.147 2
1 89 . 1 1 A 14 14 GLN CB C 14 31.639 31.632 0.007 2
1 98 . 1 1 A 14 14 GLN C C 14 175.180 175.197 -0.017 2
1 99 . 1 1 A 15 15 CYS N N 15 128.228 126.217 2.011 2
1 100 . 1 1 A 15 15 CYS H H 15 9.319 9.048 0.271 2
1 101 . 1 1 A 15 15 CYS CA C 15 59.809 60.017 -0.209 2
1 102 . 1 1 A 15 15 CYS HA H 15 4.710 4.856 -0.146 2
1 103 . 1 1 A 15 15 CYS CB C 15 30.177 28.840 1.337 2
1 106 . 1 1 A 15 15 CYS C C 15 177.750 175.590 2.160 2
1 107 . 1 1 A 16 16 SER N N 16 128.171 122.504 5.667 2
1 108 . 1 1 A 16 16 SER H H 16 9.434 9.091 0.343 2
1 109 . 1 1 A 16 16 SER CA C 16 60.913 60.127 0.786 2
1 110 . 1 1 A 16 16 SER HA H 16 4.299 4.374 -0.075 2
1 111 . 1 1 A 16 16 SER CB C 16 63.126 63.135 -0.009 2
1 114 . 1 1 A 16 16 SER C C 16 174.606 175.961 -1.355 2
1 115 . 1 1 A 17 17 GLU N N 17 124.574 120.854 3.720 2
1 116 . 1 1 A 17 17 GLU H H 17 9.028 7.889 1.139 2
1 117 . 1 1 A 17 17 GLU CA C 17 57.949 58.421 -0.472 2
1 118 . 1 1 A 17 17 GLU HA H 17 4.338 3.907 0.431 2
1 119 . 1 1 A 17 17 GLU CB C 17 29.942 29.510 0.432 2
1 125 . 1 1 A 17 17 GLU C C 17 177.060 177.726 -0.667 2
1 126 . 1 1 A 18 18 CYS N N 18 114.918 114.688 0.230 2
1 127 . 1 1 A 18 18 CYS H H 18 8.089 7.719 0.370 2
1 128 . 1 1 A 18 18 CYS CA C 18 58.331 59.524 -1.193 2
1 129 . 1 1 A 18 18 CYS HA H 18 5.177 4.599 0.578 2
1 130 . 1 1 A 18 18 CYS CB C 18 32.407 29.904 2.503 2
1 133 . 1 1 A 18 18 CYS C C 18 176.482 175.456 1.026 2
1 134 . 1 1 A 19 19 GLY N N 19 113.022 109.883 3.139 2
1 135 . 1 1 A 19 19 GLY H H 19 8.104 8.200 -0.096 2
1 136 . 1 1 A 19 19 GLY CA C 19 46.298 45.686 0.612 2
1 137 . 1 1 A 19 19 GLY HA2 H 19 3.856 4.034 -0.178 2
1 138 . 1 1 A 19 19 GLY HA3 H 19 4.240 4.049 0.191 2
1 139 . 1 1 A 19 19 GLY C C 19 173.951 174.025 -0.074 2
1 140 . 1 1 A 20 20 LYS N N 20 122.753 120.290 2.463 2
1 141 . 1 1 A 20 20 LYS H H 20 7.932 7.664 0.268 2
1 142 . 1 1 A 20 20 LYS CA C 20 57.933 54.543 3.390 2
1 143 . 1 1 A 20 20 LYS HA H 20 4.092 4.673 -0.581 2
1 144 . 1 1 A 20 20 LYS CB C 20 33.918 35.242 -1.324 2
1 156 . 1 1 A 20 20 LYS C C 20 174.553 174.945 -0.392 2
1 157 . 1 1 A 21 21 SER N N 21 115.470 118.289 -2.819 2
1 158 . 1 1 A 21 21 SER H H 21 7.982 8.592 -0.610 2
1 159 . 1 1 A 21 21 SER CA C 21 57.450 56.752 0.698 2
1 160 . 1 1 A 21 21 SER HA H 21 5.207 5.306 -0.099 2
1 161 . 1 1 A 21 21 SER CB C 21 65.453 65.394 0.059 2
1 164 . 1 1 A 21 21 SER C C 21 173.111 173.131 -0.020 2
1 165 . 1 1 A 22 22 PHE N N 22 119.199 121.927 -2.728 2
1 166 . 1 1 A 22 22 PHE H H 22 8.655 8.726 -0.071 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.484 56.673 0.811 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.682 5.001 -0.319 2
1 169 . 1 1 A 22 22 PHE CB C 22 44.042 43.413 0.629 2
1 182 . 1 1 A 22 22 PHE C C 22 175.277 174.952 0.325 2
1 183 . 1 1 A 23 23 SER CA C 23 58.896 58.212 0.684 2
1 184 . 1 1 A 23 23 SER HA H 23 4.571 4.750 -0.179 2
1 185 . 1 1 A 23 23 SER CB C 23 63.524 62.876 0.648 2
1 188 . 1 1 A 23 23 SER C C 23 174.297 173.913 0.384 2
1 189 . 1 1 A 24 24 GLY N N 24 109.456 110.830 -1.374 2
1 190 . 1 1 A 24 24 GLY H H 24 7.551 7.692 -0.141 2
1 191 . 1 1 A 24 24 GLY CA C 24 44.838 45.258 -0.420 2
1 192 . 1 1 A 24 24 GLY HA2 H 24 4.047 3.977 0.070 2
1 193 . 1 1 A 24 24 GLY HA3 H 24 3.727 4.101 -0.374 2
1 194 . 1 1 A 24 24 GLY C C 24 172.500 174.203 -1.703 2
1 195 . 1 1 A 25 25 SER N N 25 115.599 116.509 -0.910 2
1 196 . 1 1 A 25 25 SER H H 25 8.260 8.701 -0.441 2
1 197 . 1 1 A 25 25 SER CA C 25 60.846 61.270 -0.424 2
1 198 . 1 1 A 25 25 SER HA H 25 3.496 3.829 -0.333 2
1 199 . 1 1 A 25 25 SER CB C 25 62.665 62.599 0.066 2
1 202 . 1 1 A 25 25 SER C C 25 176.919 175.869 1.050 2
1 203 . 1 1 A 26 26 TYR CA C 26 61.467 61.806 -0.339 2
1 204 . 1 1 A 26 26 TYR HA H 26 4.248 3.973 0.275 2
1 205 . 1 1 A 26 26 TYR CB C 26 37.421 38.636 -1.215 2
1 216 . 1 1 A 26 26 TYR C C 26 177.866 177.355 0.511 2
1 217 . 1 1 A 27 27 ARG N N 27 118.122 118.562 -0.440 2
1 218 . 1 1 A 27 27 ARG H H 27 8.045 8.165 -0.120 2
1 219 . 1 1 A 27 27 ARG CA C 27 58.511 59.189 -0.678 2
1 220 . 1 1 A 27 27 ARG HA H 27 3.782 3.971 -0.189 2
1 221 . 1 1 A 27 27 ARG CB C 27 29.795 29.982 -0.187 2
1 230 . 1 1 A 27 27 ARG C C 27 179.215 178.246 0.969 2
1 231 . 1 1 A 28 28 LEU N N 28 120.580 120.947 -0.367 2
1 232 . 1 1 A 28 28 LEU H H 28 7.278 7.772 -0.494 2
1 233 . 1 1 A 28 28 LEU CA C 28 58.166 58.187 -0.021 2
1 234 . 1 1 A 28 28 LEU HA H 28 3.418 3.605 -0.187 2
1 235 . 1 1 A 28 28 LEU CB C 28 40.627 41.807 -1.180 2
1 248 . 1 1 A 28 28 LEU C C 28 177.435 178.356 -0.921 2
1 249 . 1 1 A 29 29 THR N N 29 116.295 113.614 2.681 2
1 250 . 1 1 A 29 29 THR H H 29 8.312 7.790 0.522 2
1 251 . 1 1 A 29 29 THR CA C 29 66.882 65.986 0.896 2
1 252 . 1 1 A 29 29 THR HA H 29 3.772 3.630 0.142 2
1 253 . 1 1 A 29 29 THR CB C 29 68.537 68.389 0.147 2
1 259 . 1 1 A 29 29 THR C C 29 176.805 176.471 0.334 2
1 260 . 1 1 A 30 30 GLN N N 30 118.689 119.046 -0.357 2
1 261 . 1 1 A 30 30 GLN H H 30 7.785 7.919 -0.134 2
1 262 . 1 1 A 30 30 GLN CA C 30 58.073 58.691 -0.618 2
1 263 . 1 1 A 30 30 GLN HA H 30 3.872 3.898 -0.026 2
1 264 . 1 1 A 30 30 GLN CB C 30 28.779 28.119 0.660 2
1 273 . 1 1 A 30 30 GLN C C 30 178.292 178.360 -0.068 2
1 274 . 1 1 A 31 31 HIS N N 31 118.694 119.757 -1.063 2
1 275 . 1 1 A 31 31 HIS H H 31 7.558 7.900 -0.342 2
1 276 . 1 1 A 31 31 HIS CA C 31 58.746 59.108 -0.361 2
1 277 . 1 1 A 31 31 HIS HA H 31 4.210 4.235 -0.025 2
1 278 . 1 1 A 31 31 HIS CB C 31 27.916 29.920 -2.004 2
1 285 . 1 1 A 31 31 HIS C C 31 177.522 177.099 0.423 2
1 286 . 1 1 A 32 32 TRP N N 32 122.468 118.573 3.895 2
1 287 . 1 1 A 32 32 TRP H H 32 8.802 8.513 0.289 2
1 288 . 1 1 A 32 32 TRP CA C 32 61.090 60.072 1.018 2
1 289 . 1 1 A 32 32 TRP HA H 32 4.042 4.227 -0.185 2
1 290 . 1 1 A 32 32 TRP CB C 32 29.312 29.257 0.055 2
1 305 . 1 1 A 32 32 TRP C C 32 177.947 178.778 -0.831 2
1 306 . 1 1 A 33 33 ILE N N 33 116.053 120.447 -4.394 2
1 307 . 1 1 A 33 33 ILE H H 33 7.288 7.999 -0.711 2
1 308 . 1 1 A 33 33 ILE CA C 33 63.891 65.189 -1.298 2
1 309 . 1 1 A 33 33 ILE HA H 33 3.827 3.695 0.132 2
1 310 . 1 1 A 33 33 ILE CB C 33 38.065 37.726 0.339 2
1 323 . 1 1 A 33 33 ILE C C 33 177.979 178.132 -0.153 2
1 324 . 1 1 A 34 34 THR N N 34 111.457 113.646 -2.189 2
1 325 . 1 1 A 34 34 THR H H 34 7.640 8.134 -0.494 2
1 326 . 1 1 A 34 34 THR CA C 34 64.307 65.221 -0.914 2
1 327 . 1 1 A 34 34 THR HA H 34 3.990 3.928 0.062 2
1 328 . 1 1 A 34 34 THR CB C 34 69.088 68.132 0.956 2
1 334 . 1 1 A 34 34 THR C C 34 175.690 176.612 -0.921 2
1 335 . 1 1 A 35 35 HIS N N 35 118.326 118.877 -0.551 2
1 336 . 1 1 A 35 35 HIS H H 35 7.247 7.652 -0.405 2
1 337 . 1 1 A 35 35 HIS CA C 35 55.628 58.658 -3.030 2
1 338 . 1 1 A 35 35 HIS HA H 35 4.735 4.327 0.408 2
1 339 . 1 1 A 35 35 HIS CB C 35 28.391 30.173 -1.782 2
1 346 . 1 1 A 35 35 HIS C C 35 175.573 176.706 -1.133 2
1 347 . 1 1 A 36 36 THR N N 36 113.348 113.394 -0.046 2
1 348 . 1 1 A 36 36 THR H H 36 7.747 7.820 -0.073 2
1 349 . 1 1 A 36 36 THR CA C 36 62.742 64.333 -1.591 2
1 350 . 1 1 A 36 36 THR HA H 36 4.251 4.173 0.079 2
1 351 . 1 1 A 36 36 THR CB C 36 69.711 69.014 0.697 2
1 357 . 1 1 A 36 36 THR C C 36 174.653 174.878 -0.225 2
1 358 . 1 1 A 37 37 ARG N N 37 122.448 120.225 2.223 2
1 359 . 1 1 A 37 37 ARG H H 37 8.143 7.965 0.178 2
1 360 . 1 1 A 37 37 ARG CA C 37 56.220 56.100 0.120 2
1 361 . 1 1 A 37 37 ARG HA H 37 4.335 4.564 -0.229 2
1 362 . 1 1 A 37 37 ARG CB C 37 30.719 31.612 -0.893 2
1 371 . 1 1 A 37 37 ARG C C 37 176.124 175.710 0.414 2
1 372 . 1 1 A 38 38 GLU N N 38 121.219 121.336 -0.117 2
1 373 . 1 1 A 38 38 GLU H H 38 8.216 8.418 -0.202 2
1 374 . 1 1 A 38 38 GLU CA C 38 56.497 55.919 0.578 2
1 375 . 1 1 A 38 38 GLU HA H 38 4.255 4.674 -0.419 2
1 376 . 1 1 A 38 38 GLU CB C 38 30.410 31.212 -0.802 2
1 382 . 1 1 A 38 38 GLU C C 38 176.132 175.605 0.527 2
1 383 . 1 1 A 39 39 LYS N N 39 123.433 122.999 0.434 2
1 384 . 1 1 A 39 39 LYS H H 39 8.290 8.505 -0.215 2
1 385 . 1 1 A 39 39 LYS CA C 39 54.206 53.902 0.304 2
1 386 . 1 1 A 39 39 LYS HA H 39 4.575 4.689 -0.114 2
1 387 . 1 1 A 39 39 LYS CB C 39 32.516 33.938 -1.423 2
1 396 . 1 1 A 39 39 LYS C C 39 174.396 174.625 -0.229 2
1 397 . 1 1 A 40 40 PRO CA C 40 63.205 62.977 0.228 2
1 398 . 1 1 A 40 40 PRO HA H 40 4.463 4.580 -0.117 2
1 399 . 1 1 A 40 40 PRO CB C 40 32.160 32.054 0.106 2
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