data_10183_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10183
_Entry.PDB_ID 2EMF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR CA C 8 61.938 62.902 -0.964 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.380 4.386 -0.006 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.802 69.485 0.317 1
1 9 . 1 1 1 A 9 9 GLY N N 9 110.579 108.440 2.139 1
1 10 . 1 1 1 A 9 9 GLY H H 9 8.211 7.561 0.650 1
1 11 . 1 1 1 A 9 9 GLY CA C 9 45.481 45.673 -0.192 1
1 12 . 1 1 1 A 9 9 GLY C C 9 174.663 174.829 -0.166 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.996 4.015 -0.019 1
1 14 . 1 1 1 A 10 10 GLY N N 10 108.571 107.989 0.582 1
1 15 . 1 1 1 A 10 10 GLY H H 10 8.251 7.894 0.357 1
1 16 . 1 1 1 A 10 10 GLY CA C 10 45.221 45.572 -0.351 1
1 17 . 1 1 1 A 10 10 GLY HA3 H 10 3.899 4.052 -0.153 1
1 18 . 1 1 1 A 10 10 GLY C C 10 173.838 173.430 0.408 1
1 19 . 1 1 1 A 10 10 GLY HA2 H 10 3.899 4.036 -0.137 1
1 20 . 1 1 1 A 11 11 LYS CA C 11 55.715 55.169 0.546 1
1 21 . 1 1 1 A 11 11 LYS HA H 11 4.248 4.326 -0.078 1
1 22 . 1 1 1 A 11 11 LYS CB C 11 32.944 31.054 1.890 1
1 30 . 1 1 1 A 11 11 LYS C C 11 175.376 175.460 -0.084 1
1 35 . 1 1 1 A 12 12 HIS N N 12 119.464 119.850 -0.386 1
1 36 . 1 1 1 A 12 12 HIS H H 12 7.756 8.008 -0.252 1
1 37 . 1 1 1 A 12 12 HIS CA C 12 55.768 54.065 1.703 1
1 38 . 1 1 1 A 12 12 HIS HA H 12 4.590 5.567 -0.977 1
1 39 . 1 1 1 A 12 12 HIS CB C 12 31.837 31.589 0.248 1
1 45 . 1 1 1 A 12 12 HIS C C 12 173.771 174.440 -0.669 1
1 47 . 1 1 1 A 13 13 PHE N N 13 121.351 121.633 -0.282 1
1 48 . 1 1 1 A 13 13 PHE H H 13 8.608 9.298 -0.690 1
1 49 . 1 1 1 A 13 13 PHE CA C 13 57.043 57.186 -0.143 1
1 50 . 1 1 1 A 13 13 PHE HA H 13 4.695 5.064 -0.369 1
1 51 . 1 1 1 A 13 13 PHE CB C 13 40.358 40.695 -0.337 1
1 63 . 1 1 1 A 13 13 PHE C C 13 174.660 175.141 -0.481 1
1 65 . 1 1 1 A 14 14 GLU N N 14 123.701 124.733 -1.032 1
1 66 . 1 1 1 A 14 14 GLU H H 14 8.703 8.854 -0.151 1
1 67 . 1 1 1 A 14 14 GLU CA C 14 55.192 55.653 -0.461 1
1 68 . 1 1 1 A 14 14 GLU HA H 14 4.930 5.212 -0.282 1
1 69 . 1 1 1 A 14 14 GLU CB C 14 32.782 31.202 1.580 1
1 73 . 1 1 1 A 14 14 GLU C C 14 175.204 176.419 -1.215 1
1 76 . 1 1 1 A 15 15 CYS N N 15 126.235 124.041 2.194 1
1 77 . 1 1 1 A 15 15 CYS H H 15 9.225 8.844 0.381 1
1 78 . 1 1 1 A 15 15 CYS CA C 15 59.373 58.489 0.884 1
1 79 . 1 1 1 A 15 15 CYS HA H 15 4.675 4.807 -0.132 1
1 80 . 1 1 1 A 15 15 CYS CB C 15 29.593 28.954 0.639 1
1 82 . 1 1 1 A 15 15 CYS C C 15 177.738 176.178 1.560 1
1 84 . 1 1 1 A 16 16 THR N N 16 111.509 120.981 -9.472 1
1 85 . 1 1 1 A 16 16 THR H H 16 8.979 8.810 0.169 1
1 86 . 1 1 1 A 16 16 THR CA C 16 64.511 64.656 -0.145 1
1 87 . 1 1 1 A 16 16 THR HA H 16 4.164 4.134 0.030 1
1 88 . 1 1 1 A 16 16 THR CB C 16 68.647 68.501 0.146 1
1 94 . 1 1 1 A 16 16 THR C C 16 175.013 176.138 -1.125 1
1 95 . 1 1 1 A 17 17 GLU N N 17 122.589 122.155 0.434 1
1 96 . 1 1 1 A 17 17 GLU H H 17 8.635 7.722 0.913 1
1 97 . 1 1 1 A 17 17 GLU CA C 17 58.162 58.989 -0.827 1
1 98 . 1 1 1 A 17 17 GLU HA H 17 4.239 3.975 0.264 1
1 99 . 1 1 1 A 17 17 GLU CB C 17 29.496 29.404 0.092 1
1 103 . 1 1 1 A 17 17 GLU C C 17 177.246 178.170 -0.924 1
1 106 . 1 1 1 A 18 18 CYS N N 18 114.562 114.797 -0.235 1
1 107 . 1 1 1 A 18 18 CYS H H 18 7.910 7.764 0.146 1
1 108 . 1 1 1 A 18 18 CYS CA C 18 58.391 59.724 -1.333 1
1 109 . 1 1 1 A 18 18 CYS HA H 18 5.164 4.572 0.592 1
1 110 . 1 1 1 A 18 18 CYS CB C 18 32.468 29.534 2.934 1
1 112 . 1 1 1 A 18 18 CYS C C 18 176.262 175.193 1.069 1
1 114 . 1 1 1 A 19 19 GLY N N 19 113.487 110.438 3.049 1
1 115 . 1 1 1 A 19 19 GLY H H 19 8.165 8.190 -0.025 1
1 116 . 1 1 1 A 19 19 GLY CA C 19 46.214 45.116 1.098 1
1 117 . 1 1 1 A 19 19 GLY HA3 H 19 3.886 4.109 -0.223 1
1 118 . 1 1 1 A 19 19 GLY C C 19 173.798 174.589 -0.791 1
1 119 . 1 1 1 A 19 19 GLY HA2 H 19 4.214 4.082 0.132 1
1 120 . 1 1 1 A 20 20 LYS N N 20 122.564 122.499 0.065 1
1 121 . 1 1 1 A 20 20 LYS H H 20 7.884 7.703 0.181 1
1 122 . 1 1 1 A 20 20 LYS CA C 20 57.974 55.864 2.110 1
1 123 . 1 1 1 A 20 20 LYS HA H 20 3.962 4.207 -0.245 1
1 124 . 1 1 1 A 20 20 LYS CB C 20 33.877 32.846 1.031 1
1 132 . 1 1 1 A 20 20 LYS C C 20 173.740 175.920 -2.180 1
1 137 . 1 1 1 A 21 21 ALA N N 21 123.364 128.939 -5.575 1
1 138 . 1 1 1 A 21 21 ALA H H 21 7.839 8.473 -0.634 1
1 139 . 1 1 1 A 21 21 ALA CA C 21 50.556 50.750 -0.194 1
1 140 . 1 1 1 A 21 21 ALA HA H 21 4.987 5.057 -0.070 1
1 141 . 1 1 1 A 21 21 ALA CB C 21 21.924 20.307 1.617 1
1 145 . 1 1 1 A 21 21 ALA C C 21 176.349 176.407 -0.058 1
1 146 . 1 1 1 A 22 22 PHE N N 22 117.458 119.875 -2.417 1
1 147 . 1 1 1 A 22 22 PHE H H 22 8.633 9.598 -0.965 1
1 148 . 1 1 1 A 22 22 PHE CA C 22 57.005 56.003 1.002 1
1 149 . 1 1 1 A 22 22 PHE HA H 22 4.855 5.138 -0.283 1
1 150 . 1 1 1 A 22 22 PHE CB C 22 43.656 42.028 1.628 1
1 162 . 1 1 1 A 22 22 PHE C C 22 175.978 176.303 -0.325 1
1 164 . 1 1 1 A 23 23 THR CA C 23 62.840 63.457 -0.617 1
1 165 . 1 1 1 A 23 23 THR HA H 23 4.615 4.589 0.026 1
1 166 . 1 1 1 A 23 23 THR CB C 23 69.738 69.352 0.386 1
1 172 . 1 1 1 A 23 23 THR C C 23 174.588 174.079 0.509 1
1 173 . 1 1 1 A 24 24 ARG N N 24 117.287 120.892 -3.605 1
1 174 . 1 1 1 A 24 24 ARG H H 24 7.306 7.632 -0.326 1
1 175 . 1 1 1 A 24 24 ARG CA C 24 54.452 54.309 0.143 1
1 176 . 1 1 1 A 24 24 ARG HA H 24 4.703 4.791 -0.088 1
1 177 . 1 1 1 A 24 24 ARG CB C 24 33.863 32.914 0.949 1
1 183 . 1 1 1 A 24 24 ARG C C 24 175.439 176.002 -0.563 1
1 187 . 1 1 1 A 25 25 LYS CA C 25 59.205 58.754 0.451 1
1 188 . 1 1 1 A 25 25 LYS HA H 25 3.150 3.364 -0.214 1
1 189 . 1 1 1 A 25 25 LYS CB C 25 31.728 31.616 0.112 1
1 200 . 1 1 1 A 26 26 SER CA C 26 60.817 61.346 -0.529 1
1 201 . 1 1 1 A 26 26 SER HA H 26 4.043 4.116 -0.073 1
1 202 . 1 1 1 A 26 26 SER CB C 26 61.472 62.340 -0.868 1
1 204 . 1 1 1 A 26 26 SER C C 26 177.205 177.146 0.059 1
1 206 . 1 1 1 A 27 27 THR N N 27 117.923 117.307 0.616 1
1 207 . 1 1 1 A 27 27 THR H H 27 6.917 7.800 -0.883 1
1 208 . 1 1 1 A 27 27 THR CA C 27 65.095 67.044 -1.949 1
1 209 . 1 1 1 A 27 27 THR HA H 27 3.923 3.907 0.016 1
1 210 . 1 1 1 A 27 27 THR CB C 27 67.872 68.661 -0.789 1
1 216 . 1 1 1 A 27 27 THR C C 27 176.713 176.221 0.492 1
1 217 . 1 1 1 A 28 28 LEU N N 28 123.790 121.590 2.200 1
1 218 . 1 1 1 A 28 28 LEU H H 28 7.141 7.764 -0.623 1
1 219 . 1 1 1 A 28 28 LEU CA C 28 58.267 57.611 0.656 1
1 220 . 1 1 1 A 28 28 LEU HA H 28 3.229 2.980 0.249 1
1 221 . 1 1 1 A 28 28 LEU CB C 28 40.123 41.448 -1.325 1
1 233 . 1 1 1 A 28 28 LEU C C 28 177.782 178.294 -0.512 1
1 235 . 1 1 1 A 29 29 SER N N 29 114.756 114.852 -0.096 1
1 236 . 1 1 1 A 29 29 SER H H 29 8.465 7.653 0.812 1
1 237 . 1 1 1 A 29 29 SER CA C 29 61.832 61.860 -0.028 1
1 238 . 1 1 1 A 29 29 SER HA H 29 4.255 4.058 0.197 1
1 239 . 1 1 1 A 29 29 SER CB C 29 62.537 63.016 -0.479 1
1 241 . 1 1 1 A 29 29 SER C C 29 177.070 176.462 0.608 1
1 243 . 1 1 1 A 30 30 MET N N 30 119.297 119.763 -0.466 1
1 244 . 1 1 1 A 30 30 MET H H 30 7.502 7.705 -0.203 1
1 245 . 1 1 1 A 30 30 MET CA C 30 58.202 57.759 0.443 1
1 246 . 1 1 1 A 30 30 MET HA H 30 4.154 4.319 -0.165 1
1 247 . 1 1 1 A 30 30 MET CB C 30 32.390 31.964 0.426 1
1 255 . 1 1 1 A 30 30 MET C C 30 178.561 178.335 0.226 1
1 258 . 1 1 1 A 31 31 HIS N N 31 120.247 120.461 -0.214 1
1 259 . 1 1 1 A 31 31 HIS H H 31 7.805 8.195 -0.390 1
1 260 . 1 1 1 A 31 31 HIS CA C 31 59.197 59.618 -0.421 1
1 261 . 1 1 1 A 31 31 HIS HA H 31 4.168 4.187 -0.019 1
1 262 . 1 1 1 A 31 31 HIS CB C 31 28.173 29.872 -1.699 1
1 268 . 1 1 1 A 31 31 HIS C C 31 176.343 177.462 -1.119 1
1 270 . 1 1 1 A 32 32 GLN N N 32 115.288 118.164 -2.876 1
1 271 . 1 1 1 A 32 32 GLN H H 32 8.405 8.388 0.017 1
1 272 . 1 1 1 A 32 32 GLN CA C 32 59.419 58.953 0.466 1
1 273 . 1 1 1 A 32 32 GLN HA H 32 3.692 3.793 -0.101 1
1 274 . 1 1 1 A 32 32 GLN CB C 32 28.474 28.254 0.220 1
1 281 . 1 1 1 A 32 32 GLN C C 32 177.514 178.585 -1.071 1
1 284 . 1 1 1 A 33 33 LYS N N 33 117.142 119.512 -2.370 1
1 285 . 1 1 1 A 33 33 LYS H H 33 7.103 7.808 -0.705 1
1 286 . 1 1 1 A 33 33 LYS CA C 33 58.467 58.474 -0.007 1
1 287 . 1 1 1 A 33 33 LYS HA H 33 4.111 3.967 0.144 1
1 288 . 1 1 1 A 33 33 LYS CB C 33 32.225 31.636 0.589 1
1 296 . 1 1 1 A 33 33 LYS C C 33 178.784 179.410 -0.626 1
1 301 . 1 1 1 A 34 34 ILE N N 34 116.412 116.360 0.052 1
1 302 . 1 1 1 A 34 34 ILE H H 34 7.822 7.759 0.063 1
1 303 . 1 1 1 A 34 34 ILE CA C 34 63.061 63.817 -0.756 1
1 304 . 1 1 1 A 34 34 ILE HA H 34 3.975 3.812 0.163 1
1 305 . 1 1 1 A 34 34 ILE CB C 34 37.649 36.971 0.678 1
1 317 . 1 1 1 A 34 34 ILE C C 34 177.516 177.767 -0.251 1
1 319 . 1 1 1 A 35 35 HIS N N 35 117.694 119.962 -2.268 1
1 320 . 1 1 1 A 35 35 HIS H H 35 7.194 7.633 -0.439 1
1 321 . 1 1 1 A 35 35 HIS CA C 35 55.301 59.345 -4.044 1
1 322 . 1 1 1 A 35 35 HIS HA H 35 4.846 4.402 0.444 1
1 323 . 1 1 1 A 35 35 HIS CB C 35 28.487 31.257 -2.770 1
1 329 . 1 1 1 A 35 35 HIS C C 35 175.812 176.134 -0.322 1
1 331 . 1 1 1 A 36 36 THR N N 36 111.822 113.244 -1.422 1
1 332 . 1 1 1 A 36 36 THR H H 36 7.763 7.470 0.293 1
1 333 . 1 1 1 A 36 36 THR CA C 36 62.564 62.962 -0.398 1
1 334 . 1 1 1 A 36 36 THR HA H 36 4.350 4.308 0.042 1
1 335 . 1 1 1 A 36 36 THR CB C 36 69.813 69.116 0.697 1
1 341 . 1 1 1 A 36 36 THR C C 36 175.513 175.649 -0.136 1
1 342 . 1 1 1 A 37 37 GLY N N 37 110.617 109.456 1.161 1
1 343 . 1 1 1 A 37 37 GLY H H 37 8.212 7.929 0.283 1
1 344 . 1 1 1 A 37 37 GLY CA C 37 45.405 46.635 -1.230 1
1 345 . 1 1 1 A 37 37 GLY HA3 H 37 4.024 3.924 0.100 1
1 346 . 1 1 1 A 37 37 GLY C C 37 174.041 173.574 0.467 1
1 347 . 1 1 1 A 37 37 GLY HA2 H 37 3.966 3.912 0.054 1
1 348 . 1 1 1 A 38 38 GLU N N 38 120.572 119.083 1.489 1
1 349 . 1 1 1 A 38 38 GLU H H 38 8.097 7.973 0.124 1
1 350 . 1 1 1 A 38 38 GLU CA C 38 56.480 54.643 1.837 1
1 351 . 1 1 1 A 38 38 GLU HA H 38 4.253 4.697 -0.444 1
1 352 . 1 1 1 A 38 38 GLU CB C 38 30.586 32.980 -2.394 1
1 356 . 1 1 1 A 38 38 GLU C C 38 176.244 176.718 -0.474 1
1 359 . 1 1 1 A 39 39 LYS N N 39 123.658 121.501 2.157 1
1 360 . 1 1 1 A 39 39 LYS H H 39 8.366 8.322 0.044 1
1 361 . 1 1 1 A 39 39 LYS CA C 39 54.084 55.269 -1.185 1
1 362 . 1 1 1 A 39 39 LYS HA H 39 4.614 4.263 0.351 1
1 363 . 1 1 1 A 39 39 LYS CB C 39 32.557 31.882 0.675 1
1 371 . 1 1 1 A 39 39 LYS C C 39 174.505 175.076 -0.571 1
1 376 . 1 1 1 A 40 40 PRO CA C 40 63.210 62.535 0.675 1
1 377 . 1 1 1 A 40 40 PRO HA H 40 4.466 4.598 -0.132 1
1 378 . 1 1 1 A 40 40 PRO CB C 40 32.186 31.530 0.656 1
1 384 . 1 1 1 A 40 40 PRO C C 40 177.000 177.441 -0.441 1
1 388 . 1 1 1 A 41 41 SER N N 41 116.449 120.340 -3.891 1
1 389 . 1 1 1 A 41 41 SER H H 41 8.466 8.665 -0.199 1
1 390 . 1 1 1 A 41 41 SER CA C 41 58.350 60.616 -2.266 1
1 391 . 1 1 1 A 41 41 SER HA H 41 4.472 4.280 0.192 1
1 392 . 1 1 1 A 41 41 SER CB C 41 64.016 63.546 0.470 1
1 394 . 1 1 1 A 41 41 SER C C 41 174.682 174.759 -0.077 1
1 396 . 1 1 1 A 42 42 GLY CA C 42 44.670 45.518 -0.848 1
1 397 . 1 1 1 A 42 42 GLY HA3 H 42 4.165 4.158 0.007 1
1 398 . 1 1 1 A 42 42 GLY HA2 H 42 4.109 4.158 -0.049 1
1 399 . 1 1 1 A 43 43 PRO CA C 43 63.265 62.513 0.752 1
1 400 . 1 1 1 A 43 43 PRO HA H 43 4.478 4.669 -0.191 1
1 401 . 1 1 1 A 43 43 PRO CB C 43 32.223 33.322 -1.099 1
1 410 . 1 1 1 A 45 45 SER CA C 45 58.389 57.379 1.010 1
1 411 . 1 1 1 A 45 45 SER HA H 45 4.498 4.474 0.024 1
1 412 . 1 1 1 A 45 45 SER CB C 45 63.929 61.571 2.358 1
1 414 . 1 1 1 A 45 45 SER C C 45 173.909 173.737 0.172 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.938 60.265 1.673 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.380 5.012 -0.632 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.802 70.266 -0.464 1
1 9 . 2 1 1 A 9 9 GLY N N 9 110.579 114.764 -4.185 1
1 10 . 2 1 1 A 9 9 GLY H H 9 8.211 8.865 -0.654 1
1 11 . 2 1 1 A 9 9 GLY CA C 9 45.481 46.868 -1.387 1
1 12 . 2 1 1 A 9 9 GLY C C 9 174.663 175.264 -0.601 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.996 3.907 0.089 1
1 14 . 2 1 1 A 10 10 GLY N N 10 108.571 110.581 -2.010 1
1 15 . 2 1 1 A 10 10 GLY H H 10 8.251 7.971 0.280 1
1 16 . 2 1 1 A 10 10 GLY CA C 10 45.221 44.546 0.675 1
1 17 . 2 1 1 A 10 10 GLY HA3 H 10 3.899 4.083 -0.184 1
1 18 . 2 1 1 A 10 10 GLY C C 10 173.838 173.446 0.392 1
1 19 . 2 1 1 A 10 10 GLY HA2 H 10 3.899 4.069 -0.170 1
1 20 . 2 1 1 A 11 11 LYS CA C 11 55.715 54.572 1.143 1
1 21 . 2 1 1 A 11 11 LYS HA H 11 4.248 5.163 -0.915 1
1 22 . 2 1 1 A 11 11 LYS CB C 11 32.944 34.999 -2.055 1
1 30 . 2 1 1 A 11 11 LYS C C 11 175.376 175.154 0.222 1
1 35 . 2 1 1 A 12 12 HIS N N 12 119.464 119.369 0.095 1
1 36 . 2 1 1 A 12 12 HIS H H 12 7.756 8.641 -0.885 1
1 37 . 2 1 1 A 12 12 HIS CA C 12 55.768 53.337 2.431 1
1 38 . 2 1 1 A 12 12 HIS HA H 12 4.590 6.067 -1.477 1
1 39 . 2 1 1 A 12 12 HIS CB C 12 31.837 33.198 -1.361 1
1 45 . 2 1 1 A 12 12 HIS C C 12 173.771 173.568 0.203 1
1 47 . 2 1 1 A 13 13 PHE N N 13 121.351 119.706 1.645 1
1 48 . 2 1 1 A 13 13 PHE H H 13 8.608 9.359 -0.751 1
1 49 . 2 1 1 A 13 13 PHE CA C 13 57.043 56.851 0.192 1
1 50 . 2 1 1 A 13 13 PHE HA H 13 4.695 4.893 -0.198 1
1 51 . 2 1 1 A 13 13 PHE CB C 13 40.358 41.123 -0.765 1
1 63 . 2 1 1 A 13 13 PHE C C 13 174.660 174.842 -0.182 1
1 65 . 2 1 1 A 14 14 GLU N N 14 123.701 124.482 -0.781 1
1 66 . 2 1 1 A 14 14 GLU H H 14 8.703 8.808 -0.105 1
1 67 . 2 1 1 A 14 14 GLU CA C 14 55.192 55.528 -0.336 1
1 68 . 2 1 1 A 14 14 GLU HA H 14 4.930 5.127 -0.197 1
1 69 . 2 1 1 A 14 14 GLU CB C 14 32.782 31.268 1.514 1
1 73 . 2 1 1 A 14 14 GLU C C 14 175.204 176.685 -1.481 1
1 76 . 2 1 1 A 15 15 CYS N N 15 126.235 124.425 1.810 1
1 77 . 2 1 1 A 15 15 CYS H H 15 9.225 9.050 0.175 1
1 78 . 2 1 1 A 15 15 CYS CA C 15 59.373 59.051 0.322 1
1 79 . 2 1 1 A 15 15 CYS HA H 15 4.675 4.770 -0.095 1
1 80 . 2 1 1 A 15 15 CYS CB C 15 29.593 28.677 0.916 1
1 82 . 2 1 1 A 15 15 CYS C C 15 177.738 175.894 1.844 1
1 84 . 2 1 1 A 16 16 THR N N 16 111.509 122.890 -11.381 1
1 85 . 2 1 1 A 16 16 THR H H 16 8.979 8.854 0.125 1
1 86 . 2 1 1 A 16 16 THR CA C 16 64.511 64.534 -0.023 1
1 87 . 2 1 1 A 16 16 THR HA H 16 4.164 4.155 0.009 1
1 88 . 2 1 1 A 16 16 THR CB C 16 68.647 68.863 -0.216 1
1 94 . 2 1 1 A 16 16 THR C C 16 175.013 176.055 -1.042 1
1 95 . 2 1 1 A 17 17 GLU N N 17 122.589 120.213 2.376 1
1 96 . 2 1 1 A 17 17 GLU H H 17 8.635 7.300 1.335 1
1 97 . 2 1 1 A 17 17 GLU CA C 17 58.162 59.015 -0.853 1
1 98 . 2 1 1 A 17 17 GLU HA H 17 4.239 3.992 0.247 1
1 99 . 2 1 1 A 17 17 GLU CB C 17 29.496 29.444 0.052 1
1 103 . 2 1 1 A 17 17 GLU C C 17 177.246 178.212 -0.966 1
1 106 . 2 1 1 A 18 18 CYS N N 18 114.562 114.755 -0.193 1
1 107 . 2 1 1 A 18 18 CYS H H 18 7.910 7.734 0.176 1
1 108 . 2 1 1 A 18 18 CYS CA C 18 58.391 59.767 -1.376 1
1 109 . 2 1 1 A 18 18 CYS HA H 18 5.164 4.545 0.619 1
1 110 . 2 1 1 A 18 18 CYS CB C 18 32.468 29.469 2.999 1
1 112 . 2 1 1 A 18 18 CYS C C 18 176.262 175.248 1.014 1
1 114 . 2 1 1 A 19 19 GLY N N 19 113.487 110.313 3.174 1
1 115 . 2 1 1 A 19 19 GLY H H 19 8.165 8.070 0.095 1
1 116 . 2 1 1 A 19 19 GLY CA C 19 46.214 45.016 1.198 1
1 117 . 2 1 1 A 19 19 GLY HA3 H 19 3.886 4.108 -0.222 1
1 118 . 2 1 1 A 19 19 GLY C C 19 173.798 174.563 -0.765 1
1 119 . 2 1 1 A 19 19 GLY HA2 H 19 4.214 4.087 0.127 1
1 120 . 2 1 1 A 20 20 LYS N N 20 122.564 122.554 0.010 1
1 121 . 2 1 1 A 20 20 LYS H H 20 7.884 7.654 0.230 1
1 122 . 2 1 1 A 20 20 LYS CA C 20 57.974 55.806 2.168 1
1 123 . 2 1 1 A 20 20 LYS HA H 20 3.962 4.173 -0.211 1
1 124 . 2 1 1 A 20 20 LYS CB C 20 33.877 32.820 1.057 1
1 132 . 2 1 1 A 20 20 LYS C C 20 173.740 175.829 -2.089 1
1 137 . 2 1 1 A 21 21 ALA N N 21 123.364 128.948 -5.584 1
1 138 . 2 1 1 A 21 21 ALA H H 21 7.839 8.457 -0.618 1
1 139 . 2 1 1 A 21 21 ALA CA C 21 50.556 50.315 0.241 1
1 140 . 2 1 1 A 21 21 ALA HA H 21 4.987 5.420 -0.433 1
1 141 . 2 1 1 A 21 21 ALA CB C 21 21.924 20.781 1.143 1
1 145 . 2 1 1 A 21 21 ALA C C 21 176.349 176.222 0.127 1
1 146 . 2 1 1 A 22 22 PHE N N 22 117.458 119.447 -1.989 1
1 147 . 2 1 1 A 22 22 PHE H H 22 8.633 9.477 -0.844 1
1 148 . 2 1 1 A 22 22 PHE CA C 22 57.005 56.822 0.183 1
1 149 . 2 1 1 A 22 22 PHE HA H 22 4.855 5.091 -0.236 1
1 150 . 2 1 1 A 22 22 PHE CB C 22 43.656 42.226 1.430 1
1 162 . 2 1 1 A 22 22 PHE C C 22 175.978 175.812 0.166 1
1 164 . 2 1 1 A 23 23 THR CA C 23 62.840 62.860 -0.020 1
1 165 . 2 1 1 A 23 23 THR HA H 23 4.615 4.644 -0.029 1
1 166 . 2 1 1 A 23 23 THR CB C 23 69.738 69.341 0.397 1
1 172 . 2 1 1 A 23 23 THR C C 23 174.588 173.974 0.614 1
1 173 . 2 1 1 A 24 24 ARG N N 24 117.287 122.128 -4.841 1
1 174 . 2 1 1 A 24 24 ARG H H 24 7.306 7.746 -0.440 1
1 175 . 2 1 1 A 24 24 ARG CA C 24 54.452 54.522 -0.070 1
1 176 . 2 1 1 A 24 24 ARG HA H 24 4.703 4.704 -0.001 1
1 177 . 2 1 1 A 24 24 ARG CB C 24 33.863 32.711 1.152 1
1 183 . 2 1 1 A 24 24 ARG C C 24 175.439 175.962 -0.523 1
1 187 . 2 1 1 A 25 25 LYS CA C 25 59.205 58.961 0.244 1
1 188 . 2 1 1 A 25 25 LYS HA H 25 3.150 3.281 -0.131 1
1 189 . 2 1 1 A 25 25 LYS CB C 25 31.728 31.596 0.132 1
1 200 . 2 1 1 A 26 26 SER CA C 26 60.817 61.421 -0.604 1
1 201 . 2 1 1 A 26 26 SER HA H 26 4.043 4.119 -0.076 1
1 202 . 2 1 1 A 26 26 SER CB C 26 61.472 62.919 -1.447 1
1 204 . 2 1 1 A 26 26 SER C C 26 177.205 177.061 0.144 1
1 206 . 2 1 1 A 27 27 THR N N 27 117.923 116.550 1.373 1
1 207 . 2 1 1 A 27 27 THR H H 27 6.917 8.031 -1.114 1
1 208 . 2 1 1 A 27 27 THR CA C 27 65.095 67.233 -2.138 1
1 209 . 2 1 1 A 27 27 THR HA H 27 3.923 3.896 0.027 1
1 210 . 2 1 1 A 27 27 THR CB C 27 67.872 68.442 -0.570 1
1 216 . 2 1 1 A 27 27 THR C C 27 176.713 176.196 0.517 1
1 217 . 2 1 1 A 28 28 LEU N N 28 123.790 121.538 2.252 1
1 218 . 2 1 1 A 28 28 LEU H H 28 7.141 7.816 -0.675 1
1 219 . 2 1 1 A 28 28 LEU CA C 28 58.267 57.690 0.577 1
1 220 . 2 1 1 A 28 28 LEU HA H 28 3.229 3.074 0.155 1
1 221 . 2 1 1 A 28 28 LEU CB C 28 40.123 41.690 -1.567 1
1 233 . 2 1 1 A 28 28 LEU C C 28 177.782 178.105 -0.323 1
1 235 . 2 1 1 A 29 29 SER N N 29 114.756 114.145 0.611 1
1 236 . 2 1 1 A 29 29 SER H H 29 8.465 7.921 0.544 1
1 237 . 2 1 1 A 29 29 SER CA C 29 61.832 61.313 0.519 1
1 238 . 2 1 1 A 29 29 SER HA H 29 4.255 4.031 0.224 1
1 239 . 2 1 1 A 29 29 SER CB C 29 62.537 62.846 -0.309 1
1 241 . 2 1 1 A 29 29 SER C C 29 177.070 176.375 0.695 1
1 243 . 2 1 1 A 30 30 MET N N 30 119.297 119.285 0.012 1
1 244 . 2 1 1 A 30 30 MET H H 30 7.502 7.550 -0.048 1
1 245 . 2 1 1 A 30 30 MET CA C 30 58.202 57.729 0.473 1
1 246 . 2 1 1 A 30 30 MET HA H 30 4.154 4.303 -0.149 1
1 247 . 2 1 1 A 30 30 MET CB C 30 32.390 32.037 0.353 1
1 255 . 2 1 1 A 30 30 MET C C 30 178.561 178.310 0.251 1
1 258 . 2 1 1 A 31 31 HIS N N 31 120.247 120.288 -0.041 1
1 259 . 2 1 1 A 31 31 HIS H H 31 7.805 8.165 -0.360 1
1 260 . 2 1 1 A 31 31 HIS CA C 31 59.197 59.676 -0.479 1
1 261 . 2 1 1 A 31 31 HIS HA H 31 4.168 4.150 0.018 1
1 262 . 2 1 1 A 31 31 HIS CB C 31 28.173 29.790 -1.617 1
1 268 . 2 1 1 A 31 31 HIS C C 31 176.343 177.537 -1.194 1
1 270 . 2 1 1 A 32 32 GLN N N 32 115.288 118.564 -3.276 1
1 271 . 2 1 1 A 32 32 GLN H H 32 8.405 8.689 -0.284 1
1 272 . 2 1 1 A 32 32 GLN CA C 32 59.419 58.747 0.672 1
1 273 . 2 1 1 A 32 32 GLN HA H 32 3.692 4.000 -0.308 1
1 274 . 2 1 1 A 32 32 GLN CB C 32 28.474 28.479 -0.005 1
1 281 . 2 1 1 A 32 32 GLN C C 32 177.514 177.892 -0.378 1
1 284 . 2 1 1 A 33 33 LYS N N 33 117.142 118.615 -1.473 1
1 285 . 2 1 1 A 33 33 LYS H H 33 7.103 7.867 -0.764 1
1 286 . 2 1 1 A 33 33 LYS CA C 33 58.467 57.769 0.698 1
1 287 . 2 1 1 A 33 33 LYS HA H 33 4.111 4.419 -0.308 1
1 288 . 2 1 1 A 33 33 LYS CB C 33 32.225 32.200 0.025 1
1 296 . 2 1 1 A 33 33 LYS C C 33 178.784 178.836 -0.052 1
1 301 . 2 1 1 A 34 34 ILE N N 34 116.412 115.328 1.084 1
1 302 . 2 1 1 A 34 34 ILE H H 34 7.822 7.820 0.002 1
1 303 . 2 1 1 A 34 34 ILE CA C 34 63.061 63.086 -0.025 1
1 304 . 2 1 1 A 34 34 ILE HA H 34 3.975 3.800 0.175 1
1 305 . 2 1 1 A 34 34 ILE CB C 34 37.649 37.005 0.644 1
1 317 . 2 1 1 A 34 34 ILE C C 34 177.516 176.296 1.220 1
1 319 . 2 1 1 A 35 35 HIS N N 35 117.694 119.542 -1.848 1
1 320 . 2 1 1 A 35 35 HIS H H 35 7.194 7.317 -0.123 1
1 321 . 2 1 1 A 35 35 HIS CA C 35 55.301 57.112 -1.811 1
1 322 . 2 1 1 A 35 35 HIS HA H 35 4.846 4.603 0.243 1
1 323 . 2 1 1 A 35 35 HIS CB C 35 28.487 31.541 -3.054 1
1 329 . 2 1 1 A 35 35 HIS C C 35 175.812 177.255 -1.443 1
1 331 . 2 1 1 A 36 36 THR N N 36 111.822 113.302 -1.480 1
1 332 . 2 1 1 A 36 36 THR H H 36 7.763 8.072 -0.309 1
1 333 . 2 1 1 A 36 36 THR CA C 36 62.564 65.390 -2.826 1
1 334 . 2 1 1 A 36 36 THR HA H 36 4.350 3.994 0.356 1
1 335 . 2 1 1 A 36 36 THR CB C 36 69.813 68.167 1.646 1
1 341 . 2 1 1 A 36 36 THR C C 36 175.513 176.655 -1.142 1
1 342 . 2 1 1 A 37 37 GLY N N 37 110.617 111.401 -0.784 1
1 343 . 2 1 1 A 37 37 GLY H H 37 8.212 8.533 -0.321 1
1 344 . 2 1 1 A 37 37 GLY CA C 37 45.405 47.322 -1.917 1
1 345 . 2 1 1 A 37 37 GLY HA3 H 37 4.024 3.727 0.297 1
1 346 . 2 1 1 A 37 37 GLY C C 37 174.041 174.986 -0.945 1
1 347 . 2 1 1 A 37 37 GLY HA2 H 37 3.966 3.722 0.244 1
1 348 . 2 1 1 A 38 38 GLU N N 38 120.572 117.835 2.737 1
1 349 . 2 1 1 A 38 38 GLU H H 38 8.097 8.280 -0.183 1
1 350 . 2 1 1 A 38 38 GLU CA C 38 56.480 56.050 0.430 1
1 351 . 2 1 1 A 38 38 GLU HA H 38 4.253 4.267 -0.014 1
1 352 . 2 1 1 A 38 38 GLU CB C 38 30.586 29.180 1.406 1
1 356 . 2 1 1 A 38 38 GLU C C 38 176.244 175.607 0.637 1
1 359 . 2 1 1 A 39 39 LYS N N 39 123.658 119.890 3.768 1
1 360 . 2 1 1 A 39 39 LYS H H 39 8.366 7.735 0.631 1
1 361 . 2 1 1 A 39 39 LYS CA C 39 54.084 53.088 0.996 1
1 362 . 2 1 1 A 39 39 LYS HA H 39 4.614 4.775 -0.161 1
1 363 . 2 1 1 A 39 39 LYS CB C 39 32.557 35.535 -2.978 1
1 371 . 2 1 1 A 39 39 LYS C C 39 174.505 174.042 0.463 1
1 376 . 2 1 1 A 40 40 PRO CA C 40 63.210 63.055 0.155 1
1 377 . 2 1 1 A 40 40 PRO HA H 40 4.466 4.368 0.098 1
1 378 . 2 1 1 A 40 40 PRO CB C 40 32.186 32.506 -0.320 1
1 384 . 2 1 1 A 40 40 PRO C C 40 177.000 177.072 -0.072 1
1 388 . 2 1 1 A 41 41 SER N N 41 116.449 117.290 -0.841 1
1 389 . 2 1 1 A 41 41 SER H H 41 8.466 8.887 -0.421 1
1 390 . 2 1 1 A 41 41 SER CA C 41 58.350 59.777 -1.427 1
1 391 . 2 1 1 A 41 41 SER HA H 41 4.472 4.164 0.308 1
1 392 . 2 1 1 A 41 41 SER CB C 41 64.016 62.528 1.488 1
1 394 . 2 1 1 A 41 41 SER C C 41 174.682 173.360 1.322 1
1 396 . 2 1 1 A 42 42 GLY CA C 42 44.670 44.260 0.410 1
1 397 . 2 1 1 A 42 42 GLY HA3 H 42 4.165 4.186 -0.021 1
1 398 . 2 1 1 A 42 42 GLY HA2 H 42 4.109 4.186 -0.077 1
1 399 . 2 1 1 A 43 43 PRO CA C 43 63.265 62.422 0.843 1
1 400 . 2 1 1 A 43 43 PRO HA H 43 4.478 4.577 -0.099 1
1 401 . 2 1 1 A 43 43 PRO CB C 43 32.223 32.557 -0.334 1
1 410 . 2 1 1 A 45 45 SER CA C 45 58.389 57.470 0.919 1
1 411 . 2 1 1 A 45 45 SER HA H 45 4.498 4.940 -0.442 1
1 412 . 2 1 1 A 45 45 SER CB C 45 63.929 65.001 -1.072 1
1 414 . 2 1 1 A 45 45 SER C C 45 173.909 174.389 -0.480 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.938 62.771 -0.833 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.380 4.035 0.345 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.802 67.107 2.695 1
1 9 . 3 1 1 A 9 9 GLY N N 9 110.579 109.589 0.990 1
1 10 . 3 1 1 A 9 9 GLY H H 9 8.211 8.138 0.073 1
1 11 . 3 1 1 A 9 9 GLY CA C 9 45.481 45.005 0.476 1
1 12 . 3 1 1 A 9 9 GLY C C 9 174.663 173.134 1.529 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.996 4.091 -0.095 1
1 14 . 3 1 1 A 10 10 GLY N N 10 108.571 108.189 0.382 1
1 15 . 3 1 1 A 10 10 GLY H H 10 8.251 8.713 -0.462 1
1 16 . 3 1 1 A 10 10 GLY CA C 10 45.221 45.275 -0.054 1
1 17 . 3 1 1 A 10 10 GLY HA3 H 10 3.899 4.094 -0.195 1
1 18 . 3 1 1 A 10 10 GLY C C 10 173.838 172.735 1.103 1
1 19 . 3 1 1 A 10 10 GLY HA2 H 10 3.899 4.089 -0.190 1
1 20 . 3 1 1 A 11 11 LYS CA C 11 55.715 55.353 0.362 1
1 21 . 3 1 1 A 11 11 LYS HA H 11 4.248 4.376 -0.128 1
1 22 . 3 1 1 A 11 11 LYS CB C 11 32.944 31.111 1.833 1
1 30 . 3 1 1 A 11 11 LYS C C 11 175.376 175.588 -0.212 1
1 35 . 3 1 1 A 12 12 HIS N N 12 119.464 122.257 -2.793 1
1 36 . 3 1 1 A 12 12 HIS H H 12 7.756 8.108 -0.352 1
1 37 . 3 1 1 A 12 12 HIS CA C 12 55.768 54.968 0.800 1
1 38 . 3 1 1 A 12 12 HIS HA H 12 4.590 4.669 -0.079 1
1 39 . 3 1 1 A 12 12 HIS CB C 12 31.837 30.919 0.918 1
1 45 . 3 1 1 A 12 12 HIS C C 12 173.771 174.618 -0.847 1
1 47 . 3 1 1 A 13 13 PHE N N 13 121.351 121.339 0.012 1
1 48 . 3 1 1 A 13 13 PHE H H 13 8.608 8.334 0.274 1
1 49 . 3 1 1 A 13 13 PHE CA C 13 57.043 57.316 -0.273 1
1 50 . 3 1 1 A 13 13 PHE HA H 13 4.695 4.908 -0.213 1
1 51 . 3 1 1 A 13 13 PHE CB C 13 40.358 39.853 0.505 1
1 63 . 3 1 1 A 13 13 PHE C C 13 174.660 175.039 -0.379 1
1 65 . 3 1 1 A 14 14 GLU N N 14 123.701 125.099 -1.398 1
1 66 . 3 1 1 A 14 14 GLU H H 14 8.703 8.936 -0.233 1
1 67 . 3 1 1 A 14 14 GLU CA C 14 55.192 55.302 -0.110 1
1 68 . 3 1 1 A 14 14 GLU HA H 14 4.930 5.359 -0.429 1
1 69 . 3 1 1 A 14 14 GLU CB C 14 32.782 31.334 1.448 1
1 73 . 3 1 1 A 14 14 GLU C C 14 175.204 176.704 -1.500 1
1 76 . 3 1 1 A 15 15 CYS N N 15 126.235 124.569 1.666 1
1 77 . 3 1 1 A 15 15 CYS H H 15 9.225 9.397 -0.172 1
1 78 . 3 1 1 A 15 15 CYS CA C 15 59.373 59.497 -0.124 1
1 79 . 3 1 1 A 15 15 CYS HA H 15 4.675 4.753 -0.078 1
1 80 . 3 1 1 A 15 15 CYS CB C 15 29.593 28.668 0.925 1
1 82 . 3 1 1 A 15 15 CYS C C 15 177.738 176.586 1.152 1
1 84 . 3 1 1 A 16 16 THR N N 16 111.509 121.848 -10.339 1
1 85 . 3 1 1 A 16 16 THR H H 16 8.979 8.753 0.226 1
1 86 . 3 1 1 A 16 16 THR CA C 16 64.511 65.195 -0.684 1
1 87 . 3 1 1 A 16 16 THR HA H 16 4.164 4.273 -0.109 1
1 88 . 3 1 1 A 16 16 THR CB C 16 68.647 68.403 0.244 1
1 94 . 3 1 1 A 16 16 THR C C 16 175.013 175.580 -0.567 1
1 95 . 3 1 1 A 17 17 GLU N N 17 122.589 120.377 2.212 1
1 96 . 3 1 1 A 17 17 GLU H H 17 8.635 7.381 1.254 1
1 97 . 3 1 1 A 17 17 GLU CA C 17 58.162 58.614 -0.452 1
1 98 . 3 1 1 A 17 17 GLU HA H 17 4.239 4.009 0.230 1
1 99 . 3 1 1 A 17 17 GLU CB C 17 29.496 29.789 -0.293 1
1 103 . 3 1 1 A 17 17 GLU C C 17 177.246 178.146 -0.900 1
1 106 . 3 1 1 A 18 18 CYS N N 18 114.562 114.731 -0.169 1
1 107 . 3 1 1 A 18 18 CYS H H 18 7.910 7.767 0.143 1
1 108 . 3 1 1 A 18 18 CYS CA C 18 58.391 59.708 -1.317 1
1 109 . 3 1 1 A 18 18 CYS HA H 18 5.164 4.566 0.598 1
1 110 . 3 1 1 A 18 18 CYS CB C 18 32.468 29.507 2.961 1
1 112 . 3 1 1 A 18 18 CYS C C 18 176.262 175.178 1.084 1
1 114 . 3 1 1 A 19 19 GLY N N 19 113.487 110.414 3.073 1
1 115 . 3 1 1 A 19 19 GLY H H 19 8.165 8.164 0.001 1
1 116 . 3 1 1 A 19 19 GLY CA C 19 46.214 45.059 1.155 1
1 117 . 3 1 1 A 19 19 GLY HA3 H 19 3.886 4.094 -0.208 1
1 118 . 3 1 1 A 19 19 GLY C C 19 173.798 174.561 -0.763 1
1 119 . 3 1 1 A 19 19 GLY HA2 H 19 4.214 4.073 0.141 1
1 120 . 3 1 1 A 20 20 LYS N N 20 122.564 122.452 0.112 1
1 121 . 3 1 1 A 20 20 LYS H H 20 7.884 7.683 0.201 1
1 122 . 3 1 1 A 20 20 LYS CA C 20 57.974 55.796 2.178 1
1 123 . 3 1 1 A 20 20 LYS HA H 20 3.962 4.225 -0.263 1
1 124 . 3 1 1 A 20 20 LYS CB C 20 33.877 33.046 0.831 1
1 132 . 3 1 1 A 20 20 LYS C C 20 173.740 175.752 -2.012 1
1 137 . 3 1 1 A 21 21 ALA N N 21 123.364 128.965 -5.601 1
1 138 . 3 1 1 A 21 21 ALA H H 21 7.839 8.570 -0.731 1
1 139 . 3 1 1 A 21 21 ALA CA C 21 50.556 50.153 0.403 1
1 140 . 3 1 1 A 21 21 ALA HA H 21 4.987 5.403 -0.416 1
1 141 . 3 1 1 A 21 21 ALA CB C 21 21.924 20.628 1.296 1
1 145 . 3 1 1 A 21 21 ALA C C 21 176.349 176.136 0.213 1
1 146 . 3 1 1 A 22 22 PHE N N 22 117.458 119.945 -2.487 1
1 147 . 3 1 1 A 22 22 PHE H H 22 8.633 9.525 -0.892 1
1 148 . 3 1 1 A 22 22 PHE CA C 22 57.005 56.138 0.867 1
1 149 . 3 1 1 A 22 22 PHE HA H 22 4.855 5.220 -0.365 1
1 150 . 3 1 1 A 22 22 PHE CB C 22 43.656 42.105 1.551 1
1 162 . 3 1 1 A 22 22 PHE C C 22 175.978 176.284 -0.306 1
1 164 . 3 1 1 A 23 23 THR CA C 23 62.840 63.139 -0.299 1
1 165 . 3 1 1 A 23 23 THR HA H 23 4.615 4.424 0.191 1
1 166 . 3 1 1 A 23 23 THR CB C 23 69.738 69.454 0.284 1
1 172 . 3 1 1 A 23 23 THR C C 23 174.588 174.049 0.539 1
1 173 . 3 1 1 A 24 24 ARG N N 24 117.287 120.878 -3.591 1
1 174 . 3 1 1 A 24 24 ARG H H 24 7.306 7.696 -0.390 1
1 175 . 3 1 1 A 24 24 ARG CA C 24 54.452 54.560 -0.108 1
1 176 . 3 1 1 A 24 24 ARG HA H 24 4.703 4.883 -0.180 1
1 177 . 3 1 1 A 24 24 ARG CB C 24 33.863 32.947 0.916 1
1 183 . 3 1 1 A 24 24 ARG C C 24 175.439 176.311 -0.872 1
1 187 . 3 1 1 A 25 25 LYS CA C 25 59.205 59.665 -0.460 1
1 188 . 3 1 1 A 25 25 LYS HA H 25 3.150 3.728 -0.578 1
1 189 . 3 1 1 A 25 25 LYS CB C 25 31.728 31.981 -0.253 1
1 200 . 3 1 1 A 26 26 SER CA C 26 60.817 61.233 -0.416 1
1 201 . 3 1 1 A 26 26 SER HA H 26 4.043 4.218 -0.175 1
1 202 . 3 1 1 A 26 26 SER CB C 26 61.472 62.806 -1.334 1
1 204 . 3 1 1 A 26 26 SER C C 26 177.205 177.347 -0.142 1
1 206 . 3 1 1 A 27 27 THR N N 27 117.923 117.829 0.094 1
1 207 . 3 1 1 A 27 27 THR H H 27 6.917 7.971 -1.054 1
1 208 . 3 1 1 A 27 27 THR CA C 27 65.095 67.268 -2.173 1
1 209 . 3 1 1 A 27 27 THR HA H 27 3.923 3.927 -0.004 1
1 210 . 3 1 1 A 27 27 THR CB C 27 67.872 68.644 -0.772 1
1 216 . 3 1 1 A 27 27 THR C C 27 176.713 176.092 0.621 1
1 217 . 3 1 1 A 28 28 LEU N N 28 123.790 121.703 2.087 1
1 218 . 3 1 1 A 28 28 LEU H H 28 7.141 7.954 -0.813 1
1 219 . 3 1 1 A 28 28 LEU CA C 28 58.267 57.766 0.501 1
1 220 . 3 1 1 A 28 28 LEU HA H 28 3.229 2.971 0.258 1
1 221 . 3 1 1 A 28 28 LEU CB C 28 40.123 41.727 -1.604 1
1 233 . 3 1 1 A 28 28 LEU C C 28 177.782 178.013 -0.231 1
1 235 . 3 1 1 A 29 29 SER N N 29 114.756 114.366 0.390 1
1 236 . 3 1 1 A 29 29 SER H H 29 8.465 7.980 0.485 1
1 237 . 3 1 1 A 29 29 SER CA C 29 61.832 61.258 0.574 1
1 238 . 3 1 1 A 29 29 SER HA H 29 4.255 4.016 0.239 1
1 239 . 3 1 1 A 29 29 SER CB C 29 62.537 62.897 -0.360 1
1 241 . 3 1 1 A 29 29 SER C C 29 177.070 176.322 0.748 1
1 243 . 3 1 1 A 30 30 MET N N 30 119.297 119.276 0.021 1
1 244 . 3 1 1 A 30 30 MET H H 30 7.502 7.698 -0.196 1
1 245 . 3 1 1 A 30 30 MET CA C 30 58.202 57.735 0.467 1
1 246 . 3 1 1 A 30 30 MET HA H 30 4.154 4.387 -0.233 1
1 247 . 3 1 1 A 30 30 MET CB C 30 32.390 32.221 0.169 1
1 255 . 3 1 1 A 30 30 MET C C 30 178.561 178.398 0.163 1
1 258 . 3 1 1 A 31 31 HIS N N 31 120.247 120.788 -0.541 1
1 259 . 3 1 1 A 31 31 HIS H H 31 7.805 8.198 -0.393 1
1 260 . 3 1 1 A 31 31 HIS CA C 31 59.197 59.334 -0.137 1
1 261 . 3 1 1 A 31 31 HIS HA H 31 4.168 4.121 0.047 1
1 262 . 3 1 1 A 31 31 HIS CB C 31 28.173 29.953 -1.780 1
1 268 . 3 1 1 A 31 31 HIS C C 31 176.343 177.662 -1.319 1
1 270 . 3 1 1 A 32 32 GLN N N 32 115.288 118.349 -3.061 1
1 271 . 3 1 1 A 32 32 GLN H H 32 8.405 8.468 -0.063 1
1 272 . 3 1 1 A 32 32 GLN CA C 32 59.419 59.033 0.386 1
1 273 . 3 1 1 A 32 32 GLN HA H 32 3.692 3.977 -0.285 1
1 274 . 3 1 1 A 32 32 GLN CB C 32 28.474 28.416 0.058 1
1 281 . 3 1 1 A 32 32 GLN C C 32 177.514 178.566 -1.052 1
1 284 . 3 1 1 A 33 33 LYS N N 33 117.142 119.283 -2.141 1
1 285 . 3 1 1 A 33 33 LYS H H 33 7.103 7.796 -0.693 1
1 286 . 3 1 1 A 33 33 LYS CA C 33 58.467 58.235 0.232 1
1 287 . 3 1 1 A 33 33 LYS HA H 33 4.111 4.000 0.111 1
1 288 . 3 1 1 A 33 33 LYS CB C 33 32.225 31.927 0.298 1
1 296 . 3 1 1 A 33 33 LYS C C 33 178.784 179.283 -0.499 1
1 301 . 3 1 1 A 34 34 ILE N N 34 116.412 115.791 0.621 1
1 302 . 3 1 1 A 34 34 ILE H H 34 7.822 7.720 0.102 1
1 303 . 3 1 1 A 34 34 ILE CA C 34 63.061 63.952 -0.891 1
1 304 . 3 1 1 A 34 34 ILE HA H 34 3.975 3.813 0.162 1
1 305 . 3 1 1 A 34 34 ILE CB C 34 37.649 36.882 0.767 1
1 317 . 3 1 1 A 34 34 ILE C C 34 177.516 177.747 -0.231 1
1 319 . 3 1 1 A 35 35 HIS N N 35 117.694 120.291 -2.597 1
1 320 . 3 1 1 A 35 35 HIS H H 35 7.194 7.460 -0.266 1
1 321 . 3 1 1 A 35 35 HIS CA C 35 55.301 59.333 -4.032 1
1 322 . 3 1 1 A 35 35 HIS HA H 35 4.846 4.396 0.450 1
1 323 . 3 1 1 A 35 35 HIS CB C 35 28.487 31.334 -2.847 1
1 329 . 3 1 1 A 35 35 HIS C C 35 175.812 175.926 -0.114 1
1 331 . 3 1 1 A 36 36 THR N N 36 111.822 112.062 -0.240 1
1 332 . 3 1 1 A 36 36 THR H H 36 7.763 7.203 0.560 1
1 333 . 3 1 1 A 36 36 THR CA C 36 62.564 61.567 0.997 1
1 334 . 3 1 1 A 36 36 THR HA H 36 4.350 4.388 -0.038 1
1 335 . 3 1 1 A 36 36 THR CB C 36 69.813 69.255 0.558 1
1 341 . 3 1 1 A 36 36 THR C C 36 175.513 174.749 0.764 1
1 342 . 3 1 1 A 37 37 GLY N N 37 110.617 110.566 0.051 1
1 343 . 3 1 1 A 37 37 GLY H H 37 8.212 7.988 0.224 1
1 344 . 3 1 1 A 37 37 GLY CA C 37 45.405 44.223 1.182 1
1 345 . 3 1 1 A 37 37 GLY HA3 H 37 4.024 4.025 -0.001 1
1 346 . 3 1 1 A 37 37 GLY C C 37 174.041 173.376 0.665 1
1 347 . 3 1 1 A 37 37 GLY HA2 H 37 3.966 4.015 -0.049 1
1 348 . 3 1 1 A 38 38 GLU N N 38 120.572 118.870 1.702 1
1 349 . 3 1 1 A 38 38 GLU H H 38 8.097 8.458 -0.361 1
1 350 . 3 1 1 A 38 38 GLU CA C 38 56.480 56.528 -0.048 1
1 351 . 3 1 1 A 38 38 GLU HA H 38 4.253 4.227 0.026 1
1 352 . 3 1 1 A 38 38 GLU CB C 38 30.586 29.931 0.655 1
1 356 . 3 1 1 A 38 38 GLU C C 38 176.244 176.757 -0.513 1
1 359 . 3 1 1 A 39 39 LYS N N 39 123.658 120.101 3.557 1
1 360 . 3 1 1 A 39 39 LYS H H 39 8.366 9.064 -0.698 1
1 361 . 3 1 1 A 39 39 LYS CA C 39 54.084 53.345 0.739 1
1 362 . 3 1 1 A 39 39 LYS HA H 39 4.614 4.990 -0.376 1
1 363 . 3 1 1 A 39 39 LYS CB C 39 32.557 35.538 -2.981 1
1 371 . 3 1 1 A 39 39 LYS C C 39 174.505 173.854 0.651 1
1 376 . 3 1 1 A 40 40 PRO CA C 40 63.210 62.255 0.955 1
1 377 . 3 1 1 A 40 40 PRO HA H 40 4.466 4.701 -0.235 1
1 378 . 3 1 1 A 40 40 PRO CB C 40 32.186 29.907 2.279 1
1 384 . 3 1 1 A 40 40 PRO C C 40 177.000 176.254 0.746 1
1 388 . 3 1 1 A 41 41 SER N N 41 116.449 118.466 -2.017 1
1 389 . 3 1 1 A 41 41 SER H H 41 8.466 8.278 0.188 1
1 390 . 3 1 1 A 41 41 SER CA C 41 58.350 59.619 -1.269 1
1 391 . 3 1 1 A 41 41 SER HA H 41 4.472 4.270 0.202 1
1 392 . 3 1 1 A 41 41 SER CB C 41 64.016 63.425 0.591 1
1 394 . 3 1 1 A 41 41 SER C C 41 174.682 174.541 0.141 1
1 396 . 3 1 1 A 42 42 GLY CA C 42 44.670 43.851 0.819 1
1 397 . 3 1 1 A 42 42 GLY HA3 H 42 4.165 4.101 0.064 1
1 398 . 3 1 1 A 42 42 GLY HA2 H 42 4.109 4.101 0.008 1
1 399 . 3 1 1 A 43 43 PRO CA C 43 63.265 62.660 0.605 1
1 400 . 3 1 1 A 43 43 PRO HA H 43 4.478 4.577 -0.099 1
1 401 . 3 1 1 A 43 43 PRO CB C 43 32.223 33.127 -0.904 1
1 410 . 3 1 1 A 45 45 SER CA C 45 58.389 60.076 -1.687 1
1 411 . 3 1 1 A 45 45 SER HA H 45 4.498 4.186 0.312 1
1 412 . 3 1 1 A 45 45 SER CB C 45 63.929 62.673 1.256 1
1 414 . 3 1 1 A 45 45 SER C C 45 173.909 175.375 -1.466 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.938 60.788 1.150 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.380 4.494 -0.114 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.802 68.788 1.014 1
1 9 . 4 1 1 A 9 9 GLY N N 9 110.579 111.546 -0.967 1
1 10 . 4 1 1 A 9 9 GLY H H 9 8.211 8.224 -0.013 1
1 11 . 4 1 1 A 9 9 GLY CA C 9 45.481 44.490 0.991 1
1 12 . 4 1 1 A 9 9 GLY C C 9 174.663 174.014 0.649 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.996 4.087 -0.091 1
1 14 . 4 1 1 A 10 10 GLY N N 10 108.571 112.589 -4.018 1
1 15 . 4 1 1 A 10 10 GLY H H 10 8.251 8.437 -0.186 1
1 16 . 4 1 1 A 10 10 GLY CA C 10 45.221 44.309 0.912 1
1 17 . 4 1 1 A 10 10 GLY HA3 H 10 3.899 4.123 -0.224 1
1 18 . 4 1 1 A 10 10 GLY C C 10 173.838 173.321 0.517 1
1 19 . 4 1 1 A 10 10 GLY HA2 H 10 3.899 4.109 -0.210 1
1 20 . 4 1 1 A 11 11 LYS CA C 11 55.715 55.029 0.686 1
1 21 . 4 1 1 A 11 11 LYS HA H 11 4.248 4.571 -0.323 1
1 22 . 4 1 1 A 11 11 LYS CB C 11 32.944 32.425 0.519 1
1 30 . 4 1 1 A 11 11 LYS C C 11 175.376 175.255 0.121 1
1 35 . 4 1 1 A 12 12 HIS N N 12 119.464 119.834 -0.370 1
1 36 . 4 1 1 A 12 12 HIS H H 12 7.756 8.593 -0.837 1
1 37 . 4 1 1 A 12 12 HIS CA C 12 55.768 53.878 1.890 1
1 38 . 4 1 1 A 12 12 HIS HA H 12 4.590 5.594 -1.004 1
1 39 . 4 1 1 A 12 12 HIS CB C 12 31.837 32.060 -0.223 1
1 45 . 4 1 1 A 12 12 HIS C C 12 173.771 174.174 -0.403 1
1 47 . 4 1 1 A 13 13 PHE N N 13 121.351 119.903 1.448 1
1 48 . 4 1 1 A 13 13 PHE H H 13 8.608 9.142 -0.534 1
1 49 . 4 1 1 A 13 13 PHE CA C 13 57.043 56.858 0.185 1
1 50 . 4 1 1 A 13 13 PHE HA H 13 4.695 4.948 -0.253 1
1 51 . 4 1 1 A 13 13 PHE CB C 13 40.358 41.435 -1.077 1
1 63 . 4 1 1 A 13 13 PHE C C 13 174.660 174.733 -0.073 1
1 65 . 4 1 1 A 14 14 GLU N N 14 123.701 124.302 -0.601 1
1 66 . 4 1 1 A 14 14 GLU H H 14 8.703 9.065 -0.362 1
1 67 . 4 1 1 A 14 14 GLU CA C 14 55.192 55.128 0.064 1
1 68 . 4 1 1 A 14 14 GLU HA H 14 4.930 5.488 -0.558 1
1 69 . 4 1 1 A 14 14 GLU CB C 14 32.782 32.297 0.485 1
1 73 . 4 1 1 A 14 14 GLU C C 14 175.204 176.307 -1.103 1
1 76 . 4 1 1 A 15 15 CYS N N 15 126.235 125.310 0.925 1
1 77 . 4 1 1 A 15 15 CYS H H 15 9.225 9.355 -0.130 1
1 78 . 4 1 1 A 15 15 CYS CA C 15 59.373 59.347 0.026 1
1 79 . 4 1 1 A 15 15 CYS HA H 15 4.675 4.710 -0.035 1
1 80 . 4 1 1 A 15 15 CYS CB C 15 29.593 28.545 1.048 1
1 82 . 4 1 1 A 15 15 CYS C C 15 177.738 176.401 1.337 1
1 84 . 4 1 1 A 16 16 THR N N 16 111.509 121.389 -9.880 1
1 85 . 4 1 1 A 16 16 THR H H 16 8.979 8.640 0.339 1
1 86 . 4 1 1 A 16 16 THR CA C 16 64.511 65.126 -0.615 1
1 87 . 4 1 1 A 16 16 THR HA H 16 4.164 4.149 0.015 1
1 88 . 4 1 1 A 16 16 THR CB C 16 68.647 68.386 0.261 1
1 94 . 4 1 1 A 16 16 THR C C 16 175.013 176.088 -1.075 1
1 95 . 4 1 1 A 17 17 GLU N N 17 122.589 120.237 2.352 1
1 96 . 4 1 1 A 17 17 GLU H H 17 8.635 7.792 0.843 1
1 97 . 4 1 1 A 17 17 GLU CA C 17 58.162 58.618 -0.456 1
1 98 . 4 1 1 A 17 17 GLU HA H 17 4.239 3.992 0.247 1
1 99 . 4 1 1 A 17 17 GLU CB C 17 29.496 29.980 -0.484 1
1 103 . 4 1 1 A 17 17 GLU C C 17 177.246 178.030 -0.784 1
1 106 . 4 1 1 A 18 18 CYS N N 18 114.562 114.671 -0.109 1
1 107 . 4 1 1 A 18 18 CYS H H 18 7.910 8.014 -0.104 1
1 108 . 4 1 1 A 18 18 CYS CA C 18 58.391 59.490 -1.099 1
1 109 . 4 1 1 A 18 18 CYS HA H 18 5.164 4.618 0.546 1
1 110 . 4 1 1 A 18 18 CYS CB C 18 32.468 29.844 2.624 1
1 112 . 4 1 1 A 18 18 CYS C C 18 176.262 175.492 0.770 1
1 114 . 4 1 1 A 19 19 GLY N N 19 113.487 110.299 3.188 1
1 115 . 4 1 1 A 19 19 GLY H H 19 8.165 8.227 -0.062 1
1 116 . 4 1 1 A 19 19 GLY CA C 19 46.214 45.110 1.104 1
1 117 . 4 1 1 A 19 19 GLY HA3 H 19 3.886 4.081 -0.195 1
1 118 . 4 1 1 A 19 19 GLY C C 19 173.798 174.537 -0.739 1
1 119 . 4 1 1 A 19 19 GLY HA2 H 19 4.214 4.057 0.157 1
1 120 . 4 1 1 A 20 20 LYS N N 20 122.564 122.659 -0.095 1
1 121 . 4 1 1 A 20 20 LYS H H 20 7.884 7.720 0.164 1
1 122 . 4 1 1 A 20 20 LYS CA C 20 57.974 56.017 1.957 1
1 123 . 4 1 1 A 20 20 LYS HA H 20 3.962 4.179 -0.217 1
1 124 . 4 1 1 A 20 20 LYS CB C 20 33.877 33.148 0.729 1
1 132 . 4 1 1 A 20 20 LYS C C 20 173.740 175.538 -1.798 1
1 137 . 4 1 1 A 21 21 ALA N N 21 123.364 128.449 -5.085 1
1 138 . 4 1 1 A 21 21 ALA H H 21 7.839 8.421 -0.582 1
1 139 . 4 1 1 A 21 21 ALA CA C 21 50.556 50.118 0.438 1
1 140 . 4 1 1 A 21 21 ALA HA H 21 4.987 5.625 -0.638 1
1 141 . 4 1 1 A 21 21 ALA CB C 21 21.924 21.073 0.851 1
1 145 . 4 1 1 A 21 21 ALA C C 21 176.349 176.139 0.210 1
1 146 . 4 1 1 A 22 22 PHE N N 22 117.458 118.948 -1.490 1
1 147 . 4 1 1 A 22 22 PHE H H 22 8.633 9.521 -0.888 1
1 148 . 4 1 1 A 22 22 PHE CA C 22 57.005 56.863 0.142 1
1 149 . 4 1 1 A 22 22 PHE HA H 22 4.855 5.097 -0.242 1
1 150 . 4 1 1 A 22 22 PHE CB C 22 43.656 41.978 1.678 1
1 162 . 4 1 1 A 22 22 PHE C C 22 175.978 176.154 -0.176 1
1 164 . 4 1 1 A 23 23 THR CA C 23 62.840 63.198 -0.358 1
1 165 . 4 1 1 A 23 23 THR HA H 23 4.615 4.631 -0.016 1
1 166 . 4 1 1 A 23 23 THR CB C 23 69.738 69.073 0.665 1
1 172 . 4 1 1 A 23 23 THR C C 23 174.588 174.379 0.209 1
1 173 . 4 1 1 A 24 24 ARG N N 24 117.287 120.840 -3.553 1
1 174 . 4 1 1 A 24 24 ARG H H 24 7.306 7.687 -0.381 1
1 175 . 4 1 1 A 24 24 ARG CA C 24 54.452 54.347 0.105 1
1 176 . 4 1 1 A 24 24 ARG HA H 24 4.703 4.717 -0.014 1
1 177 . 4 1 1 A 24 24 ARG CB C 24 33.863 32.818 1.045 1
1 183 . 4 1 1 A 24 24 ARG C C 24 175.439 176.016 -0.577 1
1 187 . 4 1 1 A 25 25 LYS CA C 25 59.205 58.666 0.539 1
1 188 . 4 1 1 A 25 25 LYS HA H 25 3.150 3.368 -0.218 1
1 189 . 4 1 1 A 25 25 LYS CB C 25 31.728 31.685 0.043 1
1 200 . 4 1 1 A 26 26 SER CA C 26 60.817 61.208 -0.391 1
1 201 . 4 1 1 A 26 26 SER HA H 26 4.043 4.181 -0.138 1
1 202 . 4 1 1 A 26 26 SER CB C 26 61.472 62.645 -1.173 1
1 204 . 4 1 1 A 26 26 SER C C 26 177.205 177.273 -0.068 1
1 206 . 4 1 1 A 27 27 THR N N 27 117.923 117.902 0.021 1
1 207 . 4 1 1 A 27 27 THR H H 27 6.917 7.872 -0.955 1
1 208 . 4 1 1 A 27 27 THR CA C 27 65.095 66.855 -1.760 1
1 209 . 4 1 1 A 27 27 THR HA H 27 3.923 3.919 0.004 1
1 210 . 4 1 1 A 27 27 THR CB C 27 67.872 68.531 -0.659 1
1 216 . 4 1 1 A 27 27 THR C C 27 176.713 175.896 0.817 1
1 217 . 4 1 1 A 28 28 LEU N N 28 123.790 121.690 2.100 1
1 218 . 4 1 1 A 28 28 LEU H H 28 7.141 7.908 -0.767 1
1 219 . 4 1 1 A 28 28 LEU CA C 28 58.267 57.505 0.762 1
1 220 . 4 1 1 A 28 28 LEU HA H 28 3.229 2.856 0.373 1
1 221 . 4 1 1 A 28 28 LEU CB C 28 40.123 41.278 -1.155 1
1 233 . 4 1 1 A 28 28 LEU C C 28 177.782 178.310 -0.528 1
1 235 . 4 1 1 A 29 29 SER N N 29 114.756 115.805 -1.049 1
1 236 . 4 1 1 A 29 29 SER H H 29 8.465 7.565 0.900 1
1 237 . 4 1 1 A 29 29 SER CA C 29 61.832 61.923 -0.091 1
1 238 . 4 1 1 A 29 29 SER HA H 29 4.255 4.081 0.174 1
1 239 . 4 1 1 A 29 29 SER CB C 29 62.537 63.034 -0.497 1
1 241 . 4 1 1 A 29 29 SER C C 29 177.070 176.719 0.351 1
1 243 . 4 1 1 A 30 30 MET N N 30 119.297 119.957 -0.660 1
1 244 . 4 1 1 A 30 30 MET H H 30 7.502 7.672 -0.170 1
1 245 . 4 1 1 A 30 30 MET CA C 30 58.202 57.896 0.306 1
1 246 . 4 1 1 A 30 30 MET HA H 30 4.154 4.273 -0.119 1
1 247 . 4 1 1 A 30 30 MET CB C 30 32.390 32.014 0.376 1
1 255 . 4 1 1 A 30 30 MET C C 30 178.561 178.396 0.165 1
1 258 . 4 1 1 A 31 31 HIS N N 31 120.247 120.244 0.003 1
1 259 . 4 1 1 A 31 31 HIS H H 31 7.805 7.852 -0.047 1
1 260 . 4 1 1 A 31 31 HIS CA C 31 59.197 59.651 -0.454 1
1 261 . 4 1 1 A 31 31 HIS HA H 31 4.168 4.143 0.025 1
1 262 . 4 1 1 A 31 31 HIS CB C 31 28.173 29.884 -1.711 1
1 268 . 4 1 1 A 31 31 HIS C C 31 176.343 177.744 -1.401 1
1 270 . 4 1 1 A 32 32 GLN N N 32 115.288 118.484 -3.196 1
1 271 . 4 1 1 A 32 32 GLN H H 32 8.405 8.437 -0.032 1
1 272 . 4 1 1 A 32 32 GLN CA C 32 59.419 58.959 0.460 1
1 273 . 4 1 1 A 32 32 GLN HA H 32 3.692 3.896 -0.204 1
1 274 . 4 1 1 A 32 32 GLN CB C 32 28.474 28.303 0.171 1
1 281 . 4 1 1 A 32 32 GLN C C 32 177.514 178.077 -0.563 1
1 284 . 4 1 1 A 33 33 LYS N N 33 117.142 118.700 -1.558 1
1 285 . 4 1 1 A 33 33 LYS H H 33 7.103 7.740 -0.637 1
1 286 . 4 1 1 A 33 33 LYS CA C 33 58.467 58.152 0.315 1
1 287 . 4 1 1 A 33 33 LYS HA H 33 4.111 4.331 -0.220 1
1 288 . 4 1 1 A 33 33 LYS CB C 33 32.225 32.301 -0.076 1
1 296 . 4 1 1 A 33 33 LYS C C 33 178.784 179.059 -0.275 1
1 301 . 4 1 1 A 34 34 ILE N N 34 116.412 115.480 0.932 1
1 302 . 4 1 1 A 34 34 ILE H H 34 7.822 7.888 -0.066 1
1 303 . 4 1 1 A 34 34 ILE CA C 34 63.061 62.913 0.148 1
1 304 . 4 1 1 A 34 34 ILE HA H 34 3.975 3.862 0.113 1
1 305 . 4 1 1 A 34 34 ILE CB C 34 37.649 37.228 0.421 1
1 317 . 4 1 1 A 34 34 ILE C C 34 177.516 176.455 1.061 1
1 319 . 4 1 1 A 35 35 HIS N N 35 117.694 119.386 -1.692 1
1 320 . 4 1 1 A 35 35 HIS H H 35 7.194 7.575 -0.381 1
1 321 . 4 1 1 A 35 35 HIS CA C 35 55.301 57.070 -1.769 1
1 322 . 4 1 1 A 35 35 HIS HA H 35 4.846 4.619 0.227 1
1 323 . 4 1 1 A 35 35 HIS CB C 35 28.487 31.463 -2.976 1
1 329 . 4 1 1 A 35 35 HIS C C 35 175.812 177.176 -1.364 1
1 331 . 4 1 1 A 36 36 THR N N 36 111.822 113.094 -1.272 1
1 332 . 4 1 1 A 36 36 THR H H 36 7.763 8.000 -0.237 1
1 333 . 4 1 1 A 36 36 THR CA C 36 62.564 65.292 -2.728 1
1 334 . 4 1 1 A 36 36 THR HA H 36 4.350 4.053 0.297 1
1 335 . 4 1 1 A 36 36 THR CB C 36 69.813 68.156 1.657 1
1 341 . 4 1 1 A 36 36 THR C C 36 175.513 175.290 0.223 1
1 342 . 4 1 1 A 37 37 GLY N N 37 110.617 109.183 1.434 1
1 343 . 4 1 1 A 37 37 GLY H H 37 8.212 7.602 0.610 1
1 344 . 4 1 1 A 37 37 GLY CA C 37 45.405 46.525 -1.120 1
1 345 . 4 1 1 A 37 37 GLY HA3 H 37 4.024 3.886 0.138 1
1 346 . 4 1 1 A 37 37 GLY C C 37 174.041 172.800 1.241 1
1 347 . 4 1 1 A 37 37 GLY HA2 H 37 3.966 3.876 0.090 1
1 348 . 4 1 1 A 38 38 GLU N N 38 120.572 125.017 -4.445 1
1 349 . 4 1 1 A 38 38 GLU H H 38 8.097 8.333 -0.236 1
1 350 . 4 1 1 A 38 38 GLU CA C 38 56.480 54.352 2.128 1
1 351 . 4 1 1 A 38 38 GLU HA H 38 4.253 4.915 -0.662 1
1 352 . 4 1 1 A 38 38 GLU CB C 38 30.586 33.315 -2.729 1
1 356 . 4 1 1 A 38 38 GLU C C 38 176.244 175.070 1.174 1
1 359 . 4 1 1 A 39 39 LYS N N 39 123.658 124.023 -0.365 1
1 360 . 4 1 1 A 39 39 LYS H H 39 8.366 8.514 -0.148 1
1 361 . 4 1 1 A 39 39 LYS CA C 39 54.084 55.324 -1.240 1
1 362 . 4 1 1 A 39 39 LYS HA H 39 4.614 4.276 0.338 1
1 363 . 4 1 1 A 39 39 LYS CB C 39 32.557 32.079 0.478 1
1 371 . 4 1 1 A 39 39 LYS C C 39 174.505 176.931 -2.426 1
1 376 . 4 1 1 A 40 40 PRO CA C 40 63.210 64.573 -1.363 1
1 377 . 4 1 1 A 40 40 PRO HA H 40 4.466 4.383 0.083 1
1 378 . 4 1 1 A 40 40 PRO CB C 40 32.186 31.889 0.297 1
1 384 . 4 1 1 A 40 40 PRO C C 40 177.000 176.776 0.224 1
1 388 . 4 1 1 A 41 41 SER N N 41 116.449 113.618 2.831 1
1 389 . 4 1 1 A 41 41 SER H H 41 8.466 7.750 0.716 1
1 390 . 4 1 1 A 41 41 SER CA C 41 58.350 59.233 -0.883 1
1 391 . 4 1 1 A 41 41 SER HA H 41 4.472 4.291 0.181 1
1 392 . 4 1 1 A 41 41 SER CB C 41 64.016 63.439 0.577 1
1 394 . 4 1 1 A 41 41 SER C C 41 174.682 174.608 0.074 1
1 396 . 4 1 1 A 42 42 GLY CA C 42 44.670 43.935 0.735 1
1 397 . 4 1 1 A 42 42 GLY HA3 H 42 4.165 4.291 -0.126 1
1 398 . 4 1 1 A 42 42 GLY HA2 H 42 4.109 4.290 -0.181 1
1 399 . 4 1 1 A 43 43 PRO CA C 43 63.265 62.828 0.437 1
1 400 . 4 1 1 A 43 43 PRO HA H 43 4.478 4.772 -0.294 1
1 401 . 4 1 1 A 43 43 PRO CB C 43 32.223 32.177 0.046 1
1 410 . 4 1 1 A 45 45 SER CA C 45 58.389 59.294 -0.905 1
1 411 . 4 1 1 A 45 45 SER HA H 45 4.498 4.086 0.412 1
1 412 . 4 1 1 A 45 45 SER CB C 45 63.929 61.996 1.933 1
1 414 . 4 1 1 A 45 45 SER C C 45 173.909 173.718 0.191 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.938 60.829 1.109 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.380 5.049 -0.669 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.802 71.928 -2.126 1
1 9 . 5 1 1 A 9 9 GLY N N 9 110.579 111.629 -1.050 1
1 10 . 5 1 1 A 9 9 GLY H H 9 8.211 8.290 -0.079 1
1 11 . 5 1 1 A 9 9 GLY CA C 9 45.481 45.546 -0.065 1
1 12 . 5 1 1 A 9 9 GLY C C 9 174.663 172.395 2.268 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.996 4.255 -0.259 1
1 14 . 5 1 1 A 10 10 GLY N N 10 108.571 108.299 0.272 1
1 15 . 5 1 1 A 10 10 GLY H H 10 8.251 8.778 -0.527 1
1 16 . 5 1 1 A 10 10 GLY CA C 10 45.221 44.241 0.980 1
1 17 . 5 1 1 A 10 10 GLY HA3 H 10 3.899 4.164 -0.265 1
1 18 . 5 1 1 A 10 10 GLY C C 10 173.838 173.291 0.547 1
1 19 . 5 1 1 A 10 10 GLY HA2 H 10 3.899 4.154 -0.255 1
1 20 . 5 1 1 A 11 11 LYS CA C 11 55.715 56.305 -0.590 1
1 21 . 5 1 1 A 11 11 LYS HA H 11 4.248 4.186 0.062 1
1 22 . 5 1 1 A 11 11 LYS CB C 11 32.944 32.843 0.101 1
1 30 . 5 1 1 A 11 11 LYS C C 11 175.376 175.731 -0.355 1
1 35 . 5 1 1 A 12 12 HIS N N 12 119.464 122.255 -2.791 1
1 36 . 5 1 1 A 12 12 HIS H H 12 7.756 8.677 -0.921 1
1 37 . 5 1 1 A 12 12 HIS CA C 12 55.768 54.596 1.172 1
1 38 . 5 1 1 A 12 12 HIS HA H 12 4.590 5.596 -1.006 1
1 39 . 5 1 1 A 12 12 HIS CB C 12 31.837 34.440 -2.603 1
1 45 . 5 1 1 A 12 12 HIS C C 12 173.771 173.058 0.713 1
1 47 . 5 1 1 A 13 13 PHE N N 13 121.351 123.057 -1.706 1
1 48 . 5 1 1 A 13 13 PHE H H 13 8.608 8.946 -0.338 1
1 49 . 5 1 1 A 13 13 PHE CA C 13 57.043 56.478 0.565 1
1 50 . 5 1 1 A 13 13 PHE HA H 13 4.695 5.126 -0.431 1
1 51 . 5 1 1 A 13 13 PHE CB C 13 40.358 41.989 -1.631 1
1 63 . 5 1 1 A 13 13 PHE C C 13 174.660 174.581 0.079 1
1 65 . 5 1 1 A 14 14 GLU N N 14 123.701 124.458 -0.757 1
1 66 . 5 1 1 A 14 14 GLU H H 14 8.703 9.335 -0.632 1
1 67 . 5 1 1 A 14 14 GLU CA C 14 55.192 54.631 0.561 1
1 68 . 5 1 1 A 14 14 GLU HA H 14 4.930 5.522 -0.592 1
1 69 . 5 1 1 A 14 14 GLU CB C 14 32.782 33.378 -0.596 1
1 73 . 5 1 1 A 14 14 GLU C C 14 175.204 176.059 -0.855 1
1 76 . 5 1 1 A 15 15 CYS N N 15 126.235 124.792 1.443 1
1 77 . 5 1 1 A 15 15 CYS H H 15 9.225 9.146 0.079 1
1 78 . 5 1 1 A 15 15 CYS CA C 15 59.373 58.905 0.468 1
1 79 . 5 1 1 A 15 15 CYS HA H 15 4.675 4.770 -0.095 1
1 80 . 5 1 1 A 15 15 CYS CB C 15 29.593 28.258 1.335 1
1 82 . 5 1 1 A 15 15 CYS C C 15 177.738 176.017 1.721 1
1 84 . 5 1 1 A 16 16 THR N N 16 111.509 120.821 -9.312 1
1 85 . 5 1 1 A 16 16 THR H H 16 8.979 8.807 0.172 1
1 86 . 5 1 1 A 16 16 THR CA C 16 64.511 64.439 0.072 1
1 87 . 5 1 1 A 16 16 THR HA H 16 4.164 4.154 0.010 1
1 88 . 5 1 1 A 16 16 THR CB C 16 68.647 68.661 -0.014 1
1 94 . 5 1 1 A 16 16 THR C C 16 175.013 176.004 -0.991 1
1 95 . 5 1 1 A 17 17 GLU N N 17 122.589 121.918 0.671 1
1 96 . 5 1 1 A 17 17 GLU H H 17 8.635 7.823 0.812 1
1 97 . 5 1 1 A 17 17 GLU CA C 17 58.162 58.634 -0.472 1
1 98 . 5 1 1 A 17 17 GLU HA H 17 4.239 3.976 0.263 1
1 99 . 5 1 1 A 17 17 GLU CB C 17 29.496 29.507 -0.011 1
1 103 . 5 1 1 A 17 17 GLU C C 17 177.246 178.293 -1.047 1
1 106 . 5 1 1 A 18 18 CYS N N 18 114.562 114.752 -0.190 1
1 107 . 5 1 1 A 18 18 CYS H H 18 7.910 7.809 0.101 1
1 108 . 5 1 1 A 18 18 CYS CA C 18 58.391 59.714 -1.323 1
1 109 . 5 1 1 A 18 18 CYS HA H 18 5.164 4.583 0.581 1
1 110 . 5 1 1 A 18 18 CYS CB C 18 32.468 29.525 2.943 1
1 112 . 5 1 1 A 18 18 CYS C C 18 176.262 175.296 0.966 1
1 114 . 5 1 1 A 19 19 GLY N N 19 113.487 110.306 3.181 1
1 115 . 5 1 1 A 19 19 GLY H H 19 8.165 8.060 0.105 1
1 116 . 5 1 1 A 19 19 GLY CA C 19 46.214 45.185 1.029 1
1 117 . 5 1 1 A 19 19 GLY HA3 H 19 3.886 4.080 -0.194 1
1 118 . 5 1 1 A 19 19 GLY C C 19 173.798 174.362 -0.564 1
1 119 . 5 1 1 A 19 19 GLY HA2 H 19 4.214 4.058 0.156 1
1 120 . 5 1 1 A 20 20 LYS N N 20 122.564 122.140 0.424 1
1 121 . 5 1 1 A 20 20 LYS H H 20 7.884 7.639 0.245 1
1 122 . 5 1 1 A 20 20 LYS CA C 20 57.974 55.500 2.474 1
1 123 . 5 1 1 A 20 20 LYS HA H 20 3.962 4.348 -0.386 1
1 124 . 5 1 1 A 20 20 LYS CB C 20 33.877 33.306 0.571 1
1 132 . 5 1 1 A 20 20 LYS C C 20 173.740 175.563 -1.823 1
1 137 . 5 1 1 A 21 21 ALA N N 21 123.364 129.069 -5.705 1
1 138 . 5 1 1 A 21 21 ALA H H 21 7.839 8.651 -0.812 1
1 139 . 5 1 1 A 21 21 ALA CA C 21 50.556 50.283 0.273 1
1 140 . 5 1 1 A 21 21 ALA HA H 21 4.987 5.513 -0.526 1
1 141 . 5 1 1 A 21 21 ALA CB C 21 21.924 20.123 1.801 1
1 145 . 5 1 1 A 21 21 ALA C C 21 176.349 176.588 -0.239 1
1 146 . 5 1 1 A 22 22 PHE N N 22 117.458 121.932 -4.474 1
1 147 . 5 1 1 A 22 22 PHE H H 22 8.633 9.841 -1.208 1
1 148 . 5 1 1 A 22 22 PHE CA C 22 57.005 56.374 0.631 1
1 149 . 5 1 1 A 22 22 PHE HA H 22 4.855 5.312 -0.457 1
1 150 . 5 1 1 A 22 22 PHE CB C 22 43.656 42.113 1.543 1
1 162 . 5 1 1 A 22 22 PHE C C 22 175.978 175.926 0.052 1
1 164 . 5 1 1 A 23 23 THR CA C 23 62.840 62.547 0.293 1
1 165 . 5 1 1 A 23 23 THR HA H 23 4.615 3.986 0.629 1
1 166 . 5 1 1 A 23 23 THR CB C 23 69.738 69.553 0.185 1
1 172 . 5 1 1 A 23 23 THR C C 23 174.588 173.872 0.716 1
1 173 . 5 1 1 A 24 24 ARG N N 24 117.287 121.734 -4.447 1
1 174 . 5 1 1 A 24 24 ARG H H 24 7.306 7.516 -0.210 1
1 175 . 5 1 1 A 24 24 ARG CA C 24 54.452 54.332 0.120 1
1 176 . 5 1 1 A 24 24 ARG HA H 24 4.703 4.519 0.184 1
1 177 . 5 1 1 A 24 24 ARG CB C 24 33.863 31.672 2.191 1
1 183 . 5 1 1 A 24 24 ARG C C 24 175.439 175.771 -0.332 1
1 187 . 5 1 1 A 25 25 LYS CA C 25 59.205 59.346 -0.141 1
1 188 . 5 1 1 A 25 25 LYS HA H 25 3.150 3.072 0.078 1
1 189 . 5 1 1 A 25 25 LYS CB C 25 31.728 31.539 0.189 1
1 200 . 5 1 1 A 26 26 SER CA C 26 60.817 62.368 -1.551 1
1 201 . 5 1 1 A 26 26 SER HA H 26 4.043 4.080 -0.037 1
1 202 . 5 1 1 A 26 26 SER CB C 26 61.472 62.969 -1.497 1
1 204 . 5 1 1 A 26 26 SER C C 26 177.205 175.945 1.260 1
1 206 . 5 1 1 A 27 27 THR N N 27 117.923 117.565 0.358 1
1 207 . 5 1 1 A 27 27 THR H H 27 6.917 7.828 -0.911 1
1 208 . 5 1 1 A 27 27 THR CA C 27 65.095 67.309 -2.214 1
1 209 . 5 1 1 A 27 27 THR HA H 27 3.923 3.869 0.054 1
1 210 . 5 1 1 A 27 27 THR CB C 27 67.872 68.763 -0.891 1
1 216 . 5 1 1 A 27 27 THR C C 27 176.713 175.988 0.725 1
1 217 . 5 1 1 A 28 28 LEU N N 28 123.790 121.150 2.640 1
1 218 . 5 1 1 A 28 28 LEU H H 28 7.141 7.896 -0.755 1
1 219 . 5 1 1 A 28 28 LEU CA C 28 58.267 57.450 0.817 1
1 220 . 5 1 1 A 28 28 LEU HA H 28 3.229 2.926 0.303 1
1 221 . 5 1 1 A 28 28 LEU CB C 28 40.123 41.087 -0.964 1
1 233 . 5 1 1 A 28 28 LEU C C 28 177.782 178.380 -0.598 1
1 235 . 5 1 1 A 29 29 SER N N 29 114.756 115.803 -1.047 1
1 236 . 5 1 1 A 29 29 SER H H 29 8.465 7.630 0.835 1
1 237 . 5 1 1 A 29 29 SER CA C 29 61.832 61.838 -0.006 1
1 238 . 5 1 1 A 29 29 SER HA H 29 4.255 4.137 0.118 1
1 239 . 5 1 1 A 29 29 SER CB C 29 62.537 63.065 -0.528 1
1 241 . 5 1 1 A 29 29 SER C C 29 177.070 176.412 0.658 1
1 243 . 5 1 1 A 30 30 MET N N 30 119.297 119.745 -0.448 1
1 244 . 5 1 1 A 30 30 MET H H 30 7.502 7.749 -0.247 1
1 245 . 5 1 1 A 30 30 MET CA C 30 58.202 57.711 0.491 1
1 246 . 5 1 1 A 30 30 MET HA H 30 4.154 4.368 -0.214 1
1 247 . 5 1 1 A 30 30 MET CB C 30 32.390 32.138 0.252 1
1 255 . 5 1 1 A 30 30 MET C C 30 178.561 178.245 0.316 1
1 258 . 5 1 1 A 31 31 HIS N N 31 120.247 120.769 -0.522 1
1 259 . 5 1 1 A 31 31 HIS H H 31 7.805 7.918 -0.113 1
1 260 . 5 1 1 A 31 31 HIS CA C 31 59.197 59.439 -0.242 1
1 261 . 5 1 1 A 31 31 HIS HA H 31 4.168 4.170 -0.002 1
1 262 . 5 1 1 A 31 31 HIS CB C 31 28.173 29.819 -1.646 1
1 268 . 5 1 1 A 31 31 HIS C C 31 176.343 177.523 -1.180 1
1 270 . 5 1 1 A 32 32 GLN N N 32 115.288 118.581 -3.293 1
1 271 . 5 1 1 A 32 32 GLN H H 32 8.405 8.616 -0.211 1
1 272 . 5 1 1 A 32 32 GLN CA C 32 59.419 58.279 1.140 1
1 273 . 5 1 1 A 32 32 GLN HA H 32 3.692 3.935 -0.243 1
1 274 . 5 1 1 A 32 32 GLN CB C 32 28.474 28.450 0.024 1
1 281 . 5 1 1 A 32 32 GLN C C 32 177.514 177.517 -0.003 1
1 284 . 5 1 1 A 33 33 LYS N N 33 117.142 118.677 -1.535 1
1 285 . 5 1 1 A 33 33 LYS H H 33 7.103 7.862 -0.759 1
1 286 . 5 1 1 A 33 33 LYS CA C 33 58.467 57.873 0.594 1
1 287 . 5 1 1 A 33 33 LYS HA H 33 4.111 4.065 0.046 1
1 288 . 5 1 1 A 33 33 LYS CB C 33 32.225 32.346 -0.121 1
1 296 . 5 1 1 A 33 33 LYS C C 33 178.784 178.952 -0.168 1
1 301 . 5 1 1 A 34 34 ILE N N 34 116.412 115.232 1.180 1
1 302 . 5 1 1 A 34 34 ILE H H 34 7.822 7.852 -0.030 1
1 303 . 5 1 1 A 34 34 ILE CA C 34 63.061 63.591 -0.530 1
1 304 . 5 1 1 A 34 34 ILE HA H 34 3.975 3.894 0.081 1
1 305 . 5 1 1 A 34 34 ILE CB C 34 37.649 37.095 0.554 1
1 317 . 5 1 1 A 34 34 ILE C C 34 177.516 177.416 0.100 1
1 319 . 5 1 1 A 35 35 HIS N N 35 117.694 120.285 -2.591 1
1 320 . 5 1 1 A 35 35 HIS H H 35 7.194 7.302 -0.108 1
1 321 . 5 1 1 A 35 35 HIS CA C 35 55.301 58.917 -3.616 1
1 322 . 5 1 1 A 35 35 HIS HA H 35 4.846 4.452 0.394 1
1 323 . 5 1 1 A 35 35 HIS CB C 35 28.487 30.886 -2.399 1
1 329 . 5 1 1 A 35 35 HIS C C 35 175.812 177.406 -1.594 1
1 331 . 5 1 1 A 36 36 THR N N 36 111.822 113.143 -1.321 1
1 332 . 5 1 1 A 36 36 THR H H 36 7.763 7.427 0.336 1
1 333 . 5 1 1 A 36 36 THR CA C 36 62.564 63.905 -1.341 1
1 334 . 5 1 1 A 36 36 THR HA H 36 4.350 4.226 0.124 1
1 335 . 5 1 1 A 36 36 THR CB C 36 69.813 70.065 -0.252 1
1 341 . 5 1 1 A 36 36 THR C C 36 175.513 174.871 0.642 1
1 342 . 5 1 1 A 37 37 GLY N N 37 110.617 109.367 1.250 1
1 343 . 5 1 1 A 37 37 GLY H H 37 8.212 7.949 0.263 1
1 344 . 5 1 1 A 37 37 GLY CA C 37 45.405 47.224 -1.819 1
1 345 . 5 1 1 A 37 37 GLY HA3 H 37 4.024 3.949 0.075 1
1 346 . 5 1 1 A 37 37 GLY C C 37 174.041 173.924 0.117 1
1 347 . 5 1 1 A 37 37 GLY HA2 H 37 3.966 3.936 0.030 1
1 348 . 5 1 1 A 38 38 GLU N N 38 120.572 124.821 -4.249 1
1 349 . 5 1 1 A 38 38 GLU H H 38 8.097 7.870 0.227 1
1 350 . 5 1 1 A 38 38 GLU CA C 38 56.480 54.586 1.894 1
1 351 . 5 1 1 A 38 38 GLU HA H 38 4.253 4.757 -0.504 1
1 352 . 5 1 1 A 38 38 GLU CB C 38 30.586 32.023 -1.437 1
1 356 . 5 1 1 A 38 38 GLU C C 38 176.244 175.944 0.300 1
1 359 . 5 1 1 A 39 39 LYS N N 39 123.658 123.416 0.242 1
1 360 . 5 1 1 A 39 39 LYS H H 39 8.366 8.175 0.191 1
1 361 . 5 1 1 A 39 39 LYS CA C 39 54.084 55.278 -1.194 1
1 362 . 5 1 1 A 39 39 LYS HA H 39 4.614 4.370 0.244 1
1 363 . 5 1 1 A 39 39 LYS CB C 39 32.557 31.806 0.751 1
1 371 . 5 1 1 A 39 39 LYS C C 39 174.505 174.793 -0.288 1
1 376 . 5 1 1 A 40 40 PRO CA C 40 63.210 62.241 0.969 1
1 377 . 5 1 1 A 40 40 PRO HA H 40 4.466 4.554 -0.088 1
1 378 . 5 1 1 A 40 40 PRO CB C 40 32.186 32.618 -0.432 1
1 384 . 5 1 1 A 40 40 PRO C C 40 177.000 176.767 0.233 1
1 388 . 5 1 1 A 41 41 SER N N 41 116.449 116.140 0.309 1
1 389 . 5 1 1 A 41 41 SER H H 41 8.466 8.272 0.194 1
1 390 . 5 1 1 A 41 41 SER CA C 41 58.350 58.055 0.295 1
1 391 . 5 1 1 A 41 41 SER HA H 41 4.472 4.503 -0.031 1
1 392 . 5 1 1 A 41 41 SER CB C 41 64.016 64.305 -0.289 1
1 394 . 5 1 1 A 41 41 SER C C 41 174.682 175.664 -0.982 1
1 396 . 5 1 1 A 42 42 GLY CA C 42 44.670 48.109 -3.439 1
1 397 . 5 1 1 A 42 42 GLY HA3 H 42 4.165 3.839 0.326 1
1 398 . 5 1 1 A 42 42 GLY HA2 H 42 4.109 3.839 0.270 1
1 399 . 5 1 1 A 43 43 PRO CA C 43 63.265 62.497 0.768 1
1 400 . 5 1 1 A 43 43 PRO HA H 43 4.478 4.605 -0.127 1
1 401 . 5 1 1 A 43 43 PRO CB C 43 32.223 31.334 0.889 1
1 410 . 5 1 1 A 45 45 SER CA C 45 58.389 59.873 -1.484 1
1 411 . 5 1 1 A 45 45 SER HA H 45 4.498 4.220 0.278 1
1 412 . 5 1 1 A 45 45 SER CB C 45 63.929 63.732 0.197 1
1 414 . 5 1 1 A 45 45 SER C C 45 173.909 174.181 -0.272 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.938 61.193 0.745 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.380 4.512 -0.132 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.802 68.137 1.665 1
1 9 . 6 1 1 A 9 9 GLY N N 9 110.579 115.065 -4.486 1
1 10 . 6 1 1 A 9 9 GLY H H 9 8.211 8.888 -0.677 1
1 11 . 6 1 1 A 9 9 GLY CA C 9 45.481 45.222 0.259 1
1 12 . 6 1 1 A 9 9 GLY C C 9 174.663 174.568 0.095 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.996 3.975 0.021 1
1 14 . 6 1 1 A 10 10 GLY N N 10 108.571 107.864 0.707 1
1 15 . 6 1 1 A 10 10 GLY H H 10 8.251 7.679 0.572 1
1 16 . 6 1 1 A 10 10 GLY CA C 10 45.221 45.650 -0.429 1
1 17 . 6 1 1 A 10 10 GLY HA3 H 10 3.899 4.000 -0.101 1
1 18 . 6 1 1 A 10 10 GLY C C 10 173.838 172.896 0.942 1
1 19 . 6 1 1 A 10 10 GLY HA2 H 10 3.899 3.995 -0.096 1
1 20 . 6 1 1 A 11 11 LYS CA C 11 55.715 55.044 0.671 1
1 21 . 6 1 1 A 11 11 LYS HA H 11 4.248 4.756 -0.508 1
1 22 . 6 1 1 A 11 11 LYS CB C 11 32.944 33.323 -0.379 1
1 30 . 6 1 1 A 11 11 LYS C C 11 175.376 175.537 -0.161 1
1 35 . 6 1 1 A 12 12 HIS N N 12 119.464 122.983 -3.519 1
1 36 . 6 1 1 A 12 12 HIS H H 12 7.756 8.938 -1.182 1
1 37 . 6 1 1 A 12 12 HIS CA C 12 55.768 55.184 0.584 1
1 38 . 6 1 1 A 12 12 HIS HA H 12 4.590 5.146 -0.556 1
1 39 . 6 1 1 A 12 12 HIS CB C 12 31.837 30.977 0.860 1
1 45 . 6 1 1 A 12 12 HIS C C 12 173.771 174.775 -1.004 1
1 47 . 6 1 1 A 13 13 PHE N N 13 121.351 119.618 1.733 1
1 48 . 6 1 1 A 13 13 PHE H H 13 8.608 9.320 -0.712 1
1 49 . 6 1 1 A 13 13 PHE CA C 13 57.043 57.148 -0.105 1
1 50 . 6 1 1 A 13 13 PHE HA H 13 4.695 5.076 -0.381 1
1 51 . 6 1 1 A 13 13 PHE CB C 13 40.358 40.782 -0.424 1
1 63 . 6 1 1 A 13 13 PHE C C 13 174.660 174.781 -0.121 1
1 65 . 6 1 1 A 14 14 GLU N N 14 123.701 124.440 -0.739 1
1 66 . 6 1 1 A 14 14 GLU H H 14 8.703 9.005 -0.302 1
1 67 . 6 1 1 A 14 14 GLU CA C 14 55.192 54.862 0.330 1
1 68 . 6 1 1 A 14 14 GLU HA H 14 4.930 5.493 -0.563 1
1 69 . 6 1 1 A 14 14 GLU CB C 14 32.782 32.430 0.352 1
1 73 . 6 1 1 A 14 14 GLU C C 14 175.204 176.269 -1.065 1
1 76 . 6 1 1 A 15 15 CYS N N 15 126.235 125.443 0.792 1
1 77 . 6 1 1 A 15 15 CYS H H 15 9.225 9.241 -0.016 1
1 78 . 6 1 1 A 15 15 CYS CA C 15 59.373 59.441 -0.068 1
1 79 . 6 1 1 A 15 15 CYS HA H 15 4.675 4.736 -0.061 1
1 80 . 6 1 1 A 15 15 CYS CB C 15 29.593 28.603 0.990 1
1 82 . 6 1 1 A 15 15 CYS C C 15 177.738 176.385 1.353 1
1 84 . 6 1 1 A 16 16 THR N N 16 111.509 123.339 -11.830 1
1 85 . 6 1 1 A 16 16 THR H H 16 8.979 8.874 0.105 1
1 86 . 6 1 1 A 16 16 THR CA C 16 64.511 64.216 0.295 1
1 87 . 6 1 1 A 16 16 THR HA H 16 4.164 4.219 -0.055 1
1 88 . 6 1 1 A 16 16 THR CB C 16 68.647 68.821 -0.174 1
1 94 . 6 1 1 A 16 16 THR C C 16 175.013 175.946 -0.933 1
1 95 . 6 1 1 A 17 17 GLU N N 17 122.589 120.064 2.525 1
1 96 . 6 1 1 A 17 17 GLU H H 17 8.635 7.731 0.904 1
1 97 . 6 1 1 A 17 17 GLU CA C 17 58.162 58.636 -0.474 1
1 98 . 6 1 1 A 17 17 GLU HA H 17 4.239 4.046 0.193 1
1 99 . 6 1 1 A 17 17 GLU CB C 17 29.496 29.889 -0.393 1
1 103 . 6 1 1 A 17 17 GLU C C 17 177.246 178.239 -0.993 1
1 106 . 6 1 1 A 18 18 CYS N N 18 114.562 114.716 -0.154 1
1 107 . 6 1 1 A 18 18 CYS H H 18 7.910 7.938 -0.028 1
1 108 . 6 1 1 A 18 18 CYS CA C 18 58.391 59.694 -1.303 1
1 109 . 6 1 1 A 18 18 CYS HA H 18 5.164 4.562 0.602 1
1 110 . 6 1 1 A 18 18 CYS CB C 18 32.468 29.497 2.971 1
1 112 . 6 1 1 A 18 18 CYS C C 18 176.262 175.218 1.044 1
1 114 . 6 1 1 A 19 19 GLY N N 19 113.487 110.328 3.159 1
1 115 . 6 1 1 A 19 19 GLY H H 19 8.165 8.081 0.084 1
1 116 . 6 1 1 A 19 19 GLY CA C 19 46.214 45.053 1.161 1
1 117 . 6 1 1 A 19 19 GLY HA3 H 19 3.886 4.093 -0.207 1
1 118 . 6 1 1 A 19 19 GLY C C 19 173.798 174.566 -0.768 1
1 119 . 6 1 1 A 19 19 GLY HA2 H 19 4.214 4.074 0.140 1
1 120 . 6 1 1 A 20 20 LYS N N 20 122.564 122.462 0.102 1
1 121 . 6 1 1 A 20 20 LYS H H 20 7.884 7.650 0.234 1
1 122 . 6 1 1 A 20 20 LYS CA C 20 57.974 55.953 2.021 1
1 123 . 6 1 1 A 20 20 LYS HA H 20 3.962 4.210 -0.248 1
1 124 . 6 1 1 A 20 20 LYS CB C 20 33.877 33.348 0.529 1
1 132 . 6 1 1 A 20 20 LYS C C 20 173.740 175.588 -1.848 1
1 137 . 6 1 1 A 21 21 ALA N N 21 123.364 128.434 -5.070 1
1 138 . 6 1 1 A 21 21 ALA H H 21 7.839 8.459 -0.620 1
1 139 . 6 1 1 A 21 21 ALA CA C 21 50.556 50.211 0.345 1
1 140 . 6 1 1 A 21 21 ALA HA H 21 4.987 5.506 -0.519 1
1 141 . 6 1 1 A 21 21 ALA CB C 21 21.924 20.830 1.094 1
1 145 . 6 1 1 A 21 21 ALA C C 21 176.349 176.007 0.342 1
1 146 . 6 1 1 A 22 22 PHE N N 22 117.458 119.185 -1.727 1
1 147 . 6 1 1 A 22 22 PHE H H 22 8.633 9.350 -0.717 1
1 148 . 6 1 1 A 22 22 PHE CA C 22 57.005 56.399 0.606 1
1 149 . 6 1 1 A 22 22 PHE HA H 22 4.855 5.056 -0.201 1
1 150 . 6 1 1 A 22 22 PHE CB C 22 43.656 41.830 1.826 1
1 162 . 6 1 1 A 22 22 PHE C C 22 175.978 175.985 -0.007 1
1 164 . 6 1 1 A 23 23 THR CA C 23 62.840 63.577 -0.737 1
1 165 . 6 1 1 A 23 23 THR HA H 23 4.615 4.487 0.128 1
1 166 . 6 1 1 A 23 23 THR CB C 23 69.738 69.273 0.465 1
1 172 . 6 1 1 A 23 23 THR C C 23 174.588 174.112 0.476 1
1 173 . 6 1 1 A 24 24 ARG N N 24 117.287 120.797 -3.510 1
1 174 . 6 1 1 A 24 24 ARG H H 24 7.306 7.606 -0.300 1
1 175 . 6 1 1 A 24 24 ARG CA C 24 54.452 54.255 0.197 1
1 176 . 6 1 1 A 24 24 ARG HA H 24 4.703 4.723 -0.020 1
1 177 . 6 1 1 A 24 24 ARG CB C 24 33.863 33.452 0.411 1
1 183 . 6 1 1 A 24 24 ARG C C 24 175.439 175.979 -0.540 1
1 187 . 6 1 1 A 25 25 LYS CA C 25 59.205 57.970 1.235 1
1 188 . 6 1 1 A 25 25 LYS HA H 25 3.150 3.420 -0.270 1
1 189 . 6 1 1 A 25 25 LYS CB C 25 31.728 31.696 0.032 1
1 200 . 6 1 1 A 26 26 SER CA C 26 60.817 62.103 -1.286 1
1 201 . 6 1 1 A 26 26 SER HA H 26 4.043 4.084 -0.041 1
1 202 . 6 1 1 A 26 26 SER CB C 26 61.472 63.037 -1.565 1
1 204 . 6 1 1 A 26 26 SER C C 26 177.205 176.272 0.933 1
1 206 . 6 1 1 A 27 27 THR N N 27 117.923 118.232 -0.309 1
1 207 . 6 1 1 A 27 27 THR H H 27 6.917 7.701 -0.784 1
1 208 . 6 1 1 A 27 27 THR CA C 27 65.095 66.773 -1.678 1
1 209 . 6 1 1 A 27 27 THR HA H 27 3.923 3.932 -0.009 1
1 210 . 6 1 1 A 27 27 THR CB C 27 67.872 67.991 -0.119 1
1 216 . 6 1 1 A 27 27 THR C C 27 176.713 176.269 0.444 1
1 217 . 6 1 1 A 28 28 LEU N N 28 123.790 122.048 1.742 1
1 218 . 6 1 1 A 28 28 LEU H H 28 7.141 7.899 -0.758 1
1 219 . 6 1 1 A 28 28 LEU CA C 28 58.267 57.251 1.016 1
1 220 . 6 1 1 A 28 28 LEU HA H 28 3.229 3.134 0.095 1
1 221 . 6 1 1 A 28 28 LEU CB C 28 40.123 41.310 -1.187 1
1 233 . 6 1 1 A 28 28 LEU C C 28 177.782 178.488 -0.706 1
1 235 . 6 1 1 A 29 29 SER N N 29 114.756 115.682 -0.926 1
1 236 . 6 1 1 A 29 29 SER H H 29 8.465 7.647 0.818 1
1 237 . 6 1 1 A 29 29 SER CA C 29 61.832 61.870 -0.038 1
1 238 . 6 1 1 A 29 29 SER HA H 29 4.255 4.103 0.152 1
1 239 . 6 1 1 A 29 29 SER CB C 29 62.537 63.034 -0.497 1
1 241 . 6 1 1 A 29 29 SER C C 29 177.070 176.219 0.851 1
1 243 . 6 1 1 A 30 30 MET N N 30 119.297 119.810 -0.513 1
1 244 . 6 1 1 A 30 30 MET H H 30 7.502 7.522 -0.020 1
1 245 . 6 1 1 A 30 30 MET CA C 30 58.202 57.872 0.330 1
1 246 . 6 1 1 A 30 30 MET HA H 30 4.154 4.310 -0.156 1
1 247 . 6 1 1 A 30 30 MET CB C 30 32.390 32.335 0.055 1
1 255 . 6 1 1 A 30 30 MET C C 30 178.561 178.339 0.222 1
1 258 . 6 1 1 A 31 31 HIS N N 31 120.247 120.401 -0.154 1
1 259 . 6 1 1 A 31 31 HIS H H 31 7.805 8.042 -0.237 1
1 260 . 6 1 1 A 31 31 HIS CA C 31 59.197 59.900 -0.703 1
1 261 . 6 1 1 A 31 31 HIS HA H 31 4.168 4.140 0.028 1
1 262 . 6 1 1 A 31 31 HIS CB C 31 28.173 29.661 -1.488 1
1 268 . 6 1 1 A 31 31 HIS C C 31 176.343 177.398 -1.055 1
1 270 . 6 1 1 A 32 32 GLN N N 32 115.288 118.552 -3.264 1
1 271 . 6 1 1 A 32 32 GLN H H 32 8.405 8.571 -0.166 1
1 272 . 6 1 1 A 32 32 GLN CA C 32 59.419 58.746 0.673 1
1 273 . 6 1 1 A 32 32 GLN HA H 32 3.692 4.177 -0.485 1
1 274 . 6 1 1 A 32 32 GLN CB C 32 28.474 28.341 0.133 1
1 281 . 6 1 1 A 32 32 GLN C C 32 177.514 177.600 -0.086 1
1 284 . 6 1 1 A 33 33 LYS N N 33 117.142 118.684 -1.542 1
1 285 . 6 1 1 A 33 33 LYS H H 33 7.103 7.835 -0.732 1
1 286 . 6 1 1 A 33 33 LYS CA C 33 58.467 57.893 0.574 1
1 287 . 6 1 1 A 33 33 LYS HA H 33 4.111 4.399 -0.288 1
1 288 . 6 1 1 A 33 33 LYS CB C 33 32.225 32.286 -0.061 1
1 296 . 6 1 1 A 33 33 LYS C C 33 178.784 179.030 -0.246 1
1 301 . 6 1 1 A 34 34 ILE N N 34 116.412 115.556 0.856 1
1 302 . 6 1 1 A 34 34 ILE H H 34 7.822 7.748 0.074 1
1 303 . 6 1 1 A 34 34 ILE CA C 34 63.061 63.045 0.016 1
1 304 . 6 1 1 A 34 34 ILE HA H 34 3.975 3.799 0.176 1
1 305 . 6 1 1 A 34 34 ILE CB C 34 37.649 37.172 0.477 1
1 317 . 6 1 1 A 34 34 ILE C C 34 177.516 176.417 1.099 1
1 319 . 6 1 1 A 35 35 HIS N N 35 117.694 119.373 -1.679 1
1 320 . 6 1 1 A 35 35 HIS H H 35 7.194 7.311 -0.117 1
1 321 . 6 1 1 A 35 35 HIS CA C 35 55.301 57.112 -1.811 1
1 322 . 6 1 1 A 35 35 HIS HA H 35 4.846 4.599 0.247 1
1 323 . 6 1 1 A 35 35 HIS CB C 35 28.487 31.392 -2.905 1
1 329 . 6 1 1 A 35 35 HIS C C 35 175.812 177.357 -1.545 1
1 331 . 6 1 1 A 36 36 THR N N 36 111.822 113.729 -1.907 1
1 332 . 6 1 1 A 36 36 THR H H 36 7.763 7.896 -0.133 1
1 333 . 6 1 1 A 36 36 THR CA C 36 62.564 65.067 -2.503 1
1 334 . 6 1 1 A 36 36 THR HA H 36 4.350 4.007 0.343 1
1 335 . 6 1 1 A 36 36 THR CB C 36 69.813 68.072 1.741 1
1 341 . 6 1 1 A 36 36 THR C C 36 175.513 175.311 0.202 1
1 342 . 6 1 1 A 37 37 GLY N N 37 110.617 110.439 0.178 1
1 343 . 6 1 1 A 37 37 GLY H H 37 8.212 7.351 0.861 1
1 344 . 6 1 1 A 37 37 GLY CA C 37 45.405 43.913 1.492 1
1 345 . 6 1 1 A 37 37 GLY HA3 H 37 4.024 4.112 -0.088 1
1 346 . 6 1 1 A 37 37 GLY C C 37 174.041 173.767 0.274 1
1 347 . 6 1 1 A 37 37 GLY HA2 H 37 3.966 4.101 -0.135 1
1 348 . 6 1 1 A 38 38 GLU N N 38 120.572 117.431 3.141 1
1 349 . 6 1 1 A 38 38 GLU H H 38 8.097 8.795 -0.698 1
1 350 . 6 1 1 A 38 38 GLU CA C 38 56.480 57.490 -1.010 1
1 351 . 6 1 1 A 38 38 GLU HA H 38 4.253 3.828 0.425 1
1 352 . 6 1 1 A 38 38 GLU CB C 38 30.586 28.004 2.582 1
1 356 . 6 1 1 A 38 38 GLU C C 38 176.244 174.490 1.754 1
1 359 . 6 1 1 A 39 39 LYS N N 39 123.658 119.182 4.476 1
1 360 . 6 1 1 A 39 39 LYS H H 39 8.366 7.737 0.629 1
1 361 . 6 1 1 A 39 39 LYS CA C 39 54.084 53.205 0.879 1
1 362 . 6 1 1 A 39 39 LYS HA H 39 4.614 4.780 -0.166 1
1 363 . 6 1 1 A 39 39 LYS CB C 39 32.557 34.750 -2.193 1
1 371 . 6 1 1 A 39 39 LYS C C 39 174.505 174.868 -0.363 1
1 376 . 6 1 1 A 40 40 PRO CA C 40 63.210 62.854 0.356 1
1 377 . 6 1 1 A 40 40 PRO HA H 40 4.466 4.379 0.087 1
1 378 . 6 1 1 A 40 40 PRO CB C 40 32.186 32.613 -0.427 1
1 384 . 6 1 1 A 40 40 PRO C C 40 177.000 176.677 0.323 1
1 388 . 6 1 1 A 41 41 SER N N 41 116.449 112.005 4.444 1
1 389 . 6 1 1 A 41 41 SER H H 41 8.466 8.644 -0.178 1
1 390 . 6 1 1 A 41 41 SER CA C 41 58.350 59.428 -1.078 1
1 391 . 6 1 1 A 41 41 SER HA H 41 4.472 4.121 0.351 1
1 392 . 6 1 1 A 41 41 SER CB C 41 64.016 61.876 2.140 1
1 394 . 6 1 1 A 41 41 SER C C 41 174.682 175.034 -0.352 1
1 396 . 6 1 1 A 42 42 GLY CA C 42 44.670 47.989 -3.319 1
1 397 . 6 1 1 A 42 42 GLY HA3 H 42 4.165 3.839 0.326 1
1 398 . 6 1 1 A 42 42 GLY HA2 H 42 4.109 3.839 0.270 1
1 399 . 6 1 1 A 43 43 PRO CA C 43 63.265 62.456 0.809 1
1 400 . 6 1 1 A 43 43 PRO HA H 43 4.478 4.679 -0.201 1
1 401 . 6 1 1 A 43 43 PRO CB C 43 32.223 29.670 2.553 1
1 410 . 6 1 1 A 45 45 SER CA C 45 58.389 57.240 1.149 1
1 411 . 6 1 1 A 45 45 SER HA H 45 4.498 4.864 -0.366 1
1 412 . 6 1 1 A 45 45 SER CB C 45 63.929 65.476 -1.547 1
1 414 . 6 1 1 A 45 45 SER C C 45 173.909 173.755 0.154 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.938 61.347 0.591 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.380 4.835 -0.455 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.802 69.138 0.664 1
1 9 . 7 1 1 A 9 9 GLY N N 9 110.579 114.330 -3.751 1
1 10 . 7 1 1 A 9 9 GLY H H 9 8.211 8.579 -0.368 1
1 11 . 7 1 1 A 9 9 GLY CA C 9 45.481 45.109 0.372 1
1 12 . 7 1 1 A 9 9 GLY C C 9 174.663 173.296 1.367 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.996 4.176 -0.180 1
1 14 . 7 1 1 A 10 10 GLY N N 10 108.571 108.079 0.492 1
1 15 . 7 1 1 A 10 10 GLY H H 10 8.251 8.438 -0.187 1
1 16 . 7 1 1 A 10 10 GLY CA C 10 45.221 44.248 0.973 1
1 17 . 7 1 1 A 10 10 GLY HA3 H 10 3.899 4.120 -0.221 1
1 18 . 7 1 1 A 10 10 GLY C C 10 173.838 172.689 1.149 1
1 19 . 7 1 1 A 10 10 GLY HA2 H 10 3.899 4.101 -0.202 1
1 20 . 7 1 1 A 11 11 LYS CA C 11 55.715 55.051 0.664 1
1 21 . 7 1 1 A 11 11 LYS HA H 11 4.248 4.660 -0.412 1
1 22 . 7 1 1 A 11 11 LYS CB C 11 32.944 33.154 -0.210 1
1 30 . 7 1 1 A 11 11 LYS C C 11 175.376 174.855 0.521 1
1 35 . 7 1 1 A 12 12 HIS N N 12 119.464 119.177 0.287 1
1 36 . 7 1 1 A 12 12 HIS H H 12 7.756 8.589 -0.833 1
1 37 . 7 1 1 A 12 12 HIS CA C 12 55.768 53.657 2.111 1
1 38 . 7 1 1 A 12 12 HIS HA H 12 4.590 5.730 -1.140 1
1 39 . 7 1 1 A 12 12 HIS CB C 12 31.837 32.351 -0.514 1
1 45 . 7 1 1 A 12 12 HIS C C 12 173.771 173.535 0.236 1
1 47 . 7 1 1 A 13 13 PHE N N 13 121.351 122.256 -0.905 1
1 48 . 7 1 1 A 13 13 PHE H H 13 8.608 8.938 -0.330 1
1 49 . 7 1 1 A 13 13 PHE CA C 13 57.043 57.365 -0.322 1
1 50 . 7 1 1 A 13 13 PHE HA H 13 4.695 4.935 -0.240 1
1 51 . 7 1 1 A 13 13 PHE CB C 13 40.358 40.066 0.292 1
1 63 . 7 1 1 A 13 13 PHE C C 13 174.660 175.103 -0.443 1
1 65 . 7 1 1 A 14 14 GLU N N 14 123.701 125.076 -1.375 1
1 66 . 7 1 1 A 14 14 GLU H H 14 8.703 8.790 -0.087 1
1 67 . 7 1 1 A 14 14 GLU CA C 14 55.192 55.465 -0.273 1
1 68 . 7 1 1 A 14 14 GLU HA H 14 4.930 5.282 -0.352 1
1 69 . 7 1 1 A 14 14 GLU CB C 14 32.782 31.308 1.474 1
1 73 . 7 1 1 A 14 14 GLU C C 14 175.204 176.865 -1.661 1
1 76 . 7 1 1 A 15 15 CYS N N 15 126.235 125.405 0.830 1
1 77 . 7 1 1 A 15 15 CYS H H 15 9.225 9.386 -0.161 1
1 78 . 7 1 1 A 15 15 CYS CA C 15 59.373 60.284 -0.911 1
1 79 . 7 1 1 A 15 15 CYS HA H 15 4.675 4.671 0.004 1
1 80 . 7 1 1 A 15 15 CYS CB C 15 29.593 28.448 1.145 1
1 82 . 7 1 1 A 15 15 CYS C C 15 177.738 176.080 1.658 1
1 84 . 7 1 1 A 16 16 THR N N 16 111.509 121.604 -10.095 1
1 85 . 7 1 1 A 16 16 THR H H 16 8.979 8.833 0.146 1
1 86 . 7 1 1 A 16 16 THR CA C 16 64.511 62.065 2.446 1
1 87 . 7 1 1 A 16 16 THR HA H 16 4.164 4.507 -0.343 1
1 88 . 7 1 1 A 16 16 THR CB C 16 68.647 68.244 0.403 1
1 94 . 7 1 1 A 16 16 THR C C 16 175.013 174.707 0.306 1
1 95 . 7 1 1 A 17 17 GLU N N 17 122.589 120.515 2.074 1
1 96 . 7 1 1 A 17 17 GLU H H 17 8.635 8.012 0.623 1
1 97 . 7 1 1 A 17 17 GLU CA C 17 58.162 57.046 1.116 1
1 98 . 7 1 1 A 17 17 GLU HA H 17 4.239 4.350 -0.111 1
1 99 . 7 1 1 A 17 17 GLU CB C 17 29.496 31.099 -1.603 1
1 103 . 7 1 1 A 17 17 GLU C C 17 177.246 177.654 -0.408 1
1 106 . 7 1 1 A 18 18 CYS N N 18 114.562 114.668 -0.106 1
1 107 . 7 1 1 A 18 18 CYS H H 18 7.910 8.086 -0.176 1
1 108 . 7 1 1 A 18 18 CYS CA C 18 58.391 59.556 -1.165 1
1 109 . 7 1 1 A 18 18 CYS HA H 18 5.164 4.660 0.504 1
1 110 . 7 1 1 A 18 18 CYS CB C 18 32.468 29.859 2.609 1
1 112 . 7 1 1 A 18 18 CYS C C 18 176.262 175.417 0.845 1
1 114 . 7 1 1 A 19 19 GLY N N 19 113.487 110.356 3.131 1
1 115 . 7 1 1 A 19 19 GLY H H 19 8.165 8.246 -0.081 1
1 116 . 7 1 1 A 19 19 GLY CA C 19 46.214 45.242 0.972 1
1 117 . 7 1 1 A 19 19 GLY HA3 H 19 3.886 4.093 -0.207 1
1 118 . 7 1 1 A 19 19 GLY C C 19 173.798 174.406 -0.608 1
1 119 . 7 1 1 A 19 19 GLY HA2 H 19 4.214 4.070 0.144 1
1 120 . 7 1 1 A 20 20 LYS N N 20 122.564 122.028 0.536 1
1 121 . 7 1 1 A 20 20 LYS H H 20 7.884 8.096 -0.212 1
1 122 . 7 1 1 A 20 20 LYS CA C 20 57.974 55.566 2.408 1
1 123 . 7 1 1 A 20 20 LYS HA H 20 3.962 4.362 -0.400 1
1 124 . 7 1 1 A 20 20 LYS CB C 20 33.877 33.199 0.678 1
1 132 . 7 1 1 A 20 20 LYS C C 20 173.740 175.742 -2.002 1
1 137 . 7 1 1 A 21 21 ALA N N 21 123.364 129.020 -5.656 1
1 138 . 7 1 1 A 21 21 ALA H H 21 7.839 8.603 -0.764 1
1 139 . 7 1 1 A 21 21 ALA CA C 21 50.556 50.708 -0.152 1
1 140 . 7 1 1 A 21 21 ALA HA H 21 4.987 5.046 -0.059 1
1 141 . 7 1 1 A 21 21 ALA CB C 21 21.924 20.308 1.616 1
1 145 . 7 1 1 A 21 21 ALA C C 21 176.349 176.784 -0.435 1
1 146 . 7 1 1 A 22 22 PHE N N 22 117.458 120.741 -3.283 1
1 147 . 7 1 1 A 22 22 PHE H H 22 8.633 9.723 -1.090 1
1 148 . 7 1 1 A 22 22 PHE CA C 22 57.005 56.459 0.546 1
1 149 . 7 1 1 A 22 22 PHE HA H 22 4.855 5.099 -0.244 1
1 150 . 7 1 1 A 22 22 PHE CB C 22 43.656 42.448 1.208 1
1 162 . 7 1 1 A 22 22 PHE C C 22 175.978 175.997 -0.019 1
1 164 . 7 1 1 A 23 23 THR CA C 23 62.840 62.097 0.743 1
1 165 . 7 1 1 A 23 23 THR HA H 23 4.615 4.812 -0.197 1
1 166 . 7 1 1 A 23 23 THR CB C 23 69.738 69.455 0.283 1
1 172 . 7 1 1 A 23 23 THR C C 23 174.588 173.969 0.619 1
1 173 . 7 1 1 A 24 24 ARG N N 24 117.287 120.817 -3.530 1
1 174 . 7 1 1 A 24 24 ARG H H 24 7.306 7.724 -0.418 1
1 175 . 7 1 1 A 24 24 ARG CA C 24 54.452 54.454 -0.002 1
1 176 . 7 1 1 A 24 24 ARG HA H 24 4.703 4.689 0.014 1
1 177 . 7 1 1 A 24 24 ARG CB C 24 33.863 32.662 1.201 1
1 183 . 7 1 1 A 24 24 ARG C C 24 175.439 175.900 -0.461 1
1 187 . 7 1 1 A 25 25 LYS CA C 25 59.205 59.212 -0.007 1
1 188 . 7 1 1 A 25 25 LYS HA H 25 3.150 3.038 0.112 1
1 189 . 7 1 1 A 25 25 LYS CB C 25 31.728 31.191 0.537 1
1 200 . 7 1 1 A 26 26 SER CA C 26 60.817 62.285 -1.468 1
1 201 . 7 1 1 A 26 26 SER HA H 26 4.043 4.022 0.021 1
1 202 . 7 1 1 A 26 26 SER CB C 26 61.472 63.027 -1.555 1
1 204 . 7 1 1 A 26 26 SER C C 26 177.205 175.943 1.262 1
1 206 . 7 1 1 A 27 27 THR N N 27 117.923 117.423 0.500 1
1 207 . 7 1 1 A 27 27 THR H H 27 6.917 7.957 -1.040 1
1 208 . 7 1 1 A 27 27 THR CA C 27 65.095 67.282 -2.187 1
1 209 . 7 1 1 A 27 27 THR HA H 27 3.923 3.893 0.030 1
1 210 . 7 1 1 A 27 27 THR CB C 27 67.872 68.782 -0.910 1
1 216 . 7 1 1 A 27 27 THR C C 27 176.713 176.073 0.640 1
1 217 . 7 1 1 A 28 28 LEU N N 28 123.790 121.160 2.630 1
1 218 . 7 1 1 A 28 28 LEU H H 28 7.141 7.709 -0.568 1
1 219 . 7 1 1 A 28 28 LEU CA C 28 58.267 57.434 0.833 1
1 220 . 7 1 1 A 28 28 LEU HA H 28 3.229 2.938 0.291 1
1 221 . 7 1 1 A 28 28 LEU CB C 28 40.123 41.006 -0.883 1
1 233 . 7 1 1 A 28 28 LEU C C 28 177.782 178.139 -0.357 1
1 235 . 7 1 1 A 29 29 SER N N 29 114.756 114.273 0.483 1
1 236 . 7 1 1 A 29 29 SER H H 29 8.465 8.093 0.372 1
1 237 . 7 1 1 A 29 29 SER CA C 29 61.832 61.412 0.420 1
1 238 . 7 1 1 A 29 29 SER HA H 29 4.255 4.008 0.247 1
1 239 . 7 1 1 A 29 29 SER CB C 29 62.537 62.980 -0.443 1
1 241 . 7 1 1 A 29 29 SER C C 29 177.070 176.564 0.506 1
1 243 . 7 1 1 A 30 30 MET N N 30 119.297 119.333 -0.036 1
1 244 . 7 1 1 A 30 30 MET H H 30 7.502 7.715 -0.213 1
1 245 . 7 1 1 A 30 30 MET CA C 30 58.202 57.952 0.250 1
1 246 . 7 1 1 A 30 30 MET HA H 30 4.154 4.325 -0.171 1
1 247 . 7 1 1 A 30 30 MET CB C 30 32.390 31.989 0.401 1
1 255 . 7 1 1 A 30 30 MET C C 30 178.561 178.378 0.183 1
1 258 . 7 1 1 A 31 31 HIS N N 31 120.247 120.569 -0.322 1
1 259 . 7 1 1 A 31 31 HIS H H 31 7.805 8.080 -0.275 1
1 260 . 7 1 1 A 31 31 HIS CA C 31 59.197 59.831 -0.634 1
1 261 . 7 1 1 A 31 31 HIS HA H 31 4.168 4.219 -0.051 1
1 262 . 7 1 1 A 31 31 HIS CB C 31 28.173 29.747 -1.574 1
1 268 . 7 1 1 A 31 31 HIS C C 31 176.343 177.312 -0.969 1
1 270 . 7 1 1 A 32 32 GLN N N 32 115.288 118.237 -2.949 1
1 271 . 7 1 1 A 32 32 GLN H H 32 8.405 8.555 -0.150 1
1 272 . 7 1 1 A 32 32 GLN CA C 32 59.419 58.935 0.484 1
1 273 . 7 1 1 A 32 32 GLN HA H 32 3.692 3.833 -0.141 1
1 274 . 7 1 1 A 32 32 GLN CB C 32 28.474 28.284 0.190 1
1 281 . 7 1 1 A 32 32 GLN C C 32 177.514 178.496 -0.982 1
1 284 . 7 1 1 A 33 33 LYS N N 33 117.142 118.975 -1.833 1
1 285 . 7 1 1 A 33 33 LYS H H 33 7.103 7.814 -0.711 1
1 286 . 7 1 1 A 33 33 LYS CA C 33 58.467 58.164 0.303 1
1 287 . 7 1 1 A 33 33 LYS HA H 33 4.111 4.029 0.082 1
1 288 . 7 1 1 A 33 33 LYS CB C 33 32.225 32.319 -0.094 1
1 296 . 7 1 1 A 33 33 LYS C C 33 178.784 178.561 0.223 1
1 301 . 7 1 1 A 34 34 ILE N N 34 116.412 115.484 0.928 1
1 302 . 7 1 1 A 34 34 ILE H H 34 7.822 7.862 -0.040 1
1 303 . 7 1 1 A 34 34 ILE CA C 34 63.061 63.803 -0.742 1
1 304 . 7 1 1 A 34 34 ILE HA H 34 3.975 3.801 0.174 1
1 305 . 7 1 1 A 34 34 ILE CB C 34 37.649 36.967 0.682 1
1 317 . 7 1 1 A 34 34 ILE C C 34 177.516 177.721 -0.205 1
1 319 . 7 1 1 A 35 35 HIS N N 35 117.694 120.143 -2.449 1
1 320 . 7 1 1 A 35 35 HIS H H 35 7.194 7.875 -0.681 1
1 321 . 7 1 1 A 35 35 HIS CA C 35 55.301 58.923 -3.622 1
1 322 . 7 1 1 A 35 35 HIS HA H 35 4.846 4.463 0.383 1
1 323 . 7 1 1 A 35 35 HIS CB C 35 28.487 30.968 -2.481 1
1 329 . 7 1 1 A 35 35 HIS C C 35 175.812 177.192 -1.380 1
1 331 . 7 1 1 A 36 36 THR N N 36 111.822 111.737 0.085 1
1 332 . 7 1 1 A 36 36 THR H H 36 7.763 7.684 0.079 1
1 333 . 7 1 1 A 36 36 THR CA C 36 62.564 63.492 -0.928 1
1 334 . 7 1 1 A 36 36 THR HA H 36 4.350 4.220 0.130 1
1 335 . 7 1 1 A 36 36 THR CB C 36 69.813 70.021 -0.208 1
1 341 . 7 1 1 A 36 36 THR C C 36 175.513 174.556 0.957 1
1 342 . 7 1 1 A 37 37 GLY N N 37 110.617 107.976 2.641 1
1 343 . 7 1 1 A 37 37 GLY H H 37 8.212 7.419 0.793 1
1 344 . 7 1 1 A 37 37 GLY CA C 37 45.405 43.995 1.410 1
1 345 . 7 1 1 A 37 37 GLY HA3 H 37 4.024 4.046 -0.022 1
1 346 . 7 1 1 A 37 37 GLY C C 37 174.041 171.457 2.584 1
1 347 . 7 1 1 A 37 37 GLY HA2 H 37 3.966 4.034 -0.068 1
1 348 . 7 1 1 A 38 38 GLU N N 38 120.572 120.230 0.342 1
1 349 . 7 1 1 A 38 38 GLU H H 38 8.097 8.562 -0.465 1
1 350 . 7 1 1 A 38 38 GLU CA C 38 56.480 54.755 1.725 1
1 351 . 7 1 1 A 38 38 GLU HA H 38 4.253 4.960 -0.707 1
1 352 . 7 1 1 A 38 38 GLU CB C 38 30.586 33.482 -2.896 1
1 356 . 7 1 1 A 38 38 GLU C C 38 176.244 175.332 0.912 1
1 359 . 7 1 1 A 39 39 LYS N N 39 123.658 126.235 -2.577 1
1 360 . 7 1 1 A 39 39 LYS H H 39 8.366 8.357 0.009 1
1 361 . 7 1 1 A 39 39 LYS CA C 39 54.084 55.160 -1.076 1
1 362 . 7 1 1 A 39 39 LYS HA H 39 4.614 4.350 0.264 1
1 363 . 7 1 1 A 39 39 LYS CB C 39 32.557 31.578 0.979 1
1 371 . 7 1 1 A 39 39 LYS C C 39 174.505 174.790 -0.285 1
1 376 . 7 1 1 A 40 40 PRO CA C 40 63.210 62.889 0.321 1
1 377 . 7 1 1 A 40 40 PRO HA H 40 4.466 4.674 -0.208 1
1 378 . 7 1 1 A 40 40 PRO CB C 40 32.186 31.646 0.540 1
1 384 . 7 1 1 A 40 40 PRO C C 40 177.000 176.330 0.670 1
1 388 . 7 1 1 A 41 41 SER N N 41 116.449 113.958 2.491 1
1 389 . 7 1 1 A 41 41 SER H H 41 8.466 8.215 0.251 1
1 390 . 7 1 1 A 41 41 SER CA C 41 58.350 57.138 1.212 1
1 391 . 7 1 1 A 41 41 SER HA H 41 4.472 5.077 -0.605 1
1 392 . 7 1 1 A 41 41 SER CB C 41 64.016 66.226 -2.210 1
1 394 . 7 1 1 A 41 41 SER C C 41 174.682 174.400 0.282 1
1 396 . 7 1 1 A 42 42 GLY CA C 42 44.670 47.381 -2.711 1
1 397 . 7 1 1 A 42 42 GLY HA3 H 42 4.165 3.877 0.288 1
1 398 . 7 1 1 A 42 42 GLY HA2 H 42 4.109 3.877 0.232 1
1 399 . 7 1 1 A 43 43 PRO CA C 43 63.265 63.018 0.247 1
1 400 . 7 1 1 A 43 43 PRO HA H 43 4.478 4.506 -0.028 1
1 401 . 7 1 1 A 43 43 PRO CB C 43 32.223 31.927 0.296 1
1 410 . 7 1 1 A 45 45 SER CA C 45 58.389 57.541 0.848 1
1 411 . 7 1 1 A 45 45 SER HA H 45 4.498 4.671 -0.173 1
1 412 . 7 1 1 A 45 45 SER CB C 45 63.929 63.626 0.303 1
1 414 . 7 1 1 A 45 45 SER C C 45 173.909 174.309 -0.400 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.938 61.980 -0.042 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.380 4.355 0.025 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.802 70.458 -0.656 1
1 9 . 8 1 1 A 9 9 GLY N N 9 110.579 109.439 1.140 1
1 10 . 8 1 1 A 9 9 GLY H H 9 8.211 8.470 -0.259 1
1 11 . 8 1 1 A 9 9 GLY CA C 9 45.481 46.065 -0.584 1
1 12 . 8 1 1 A 9 9 GLY C C 9 174.663 173.853 0.810 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.996 4.037 -0.041 1
1 14 . 8 1 1 A 10 10 GLY N N 10 108.571 111.789 -3.218 1
1 15 . 8 1 1 A 10 10 GLY H H 10 8.251 8.582 -0.331 1
1 16 . 8 1 1 A 10 10 GLY CA C 10 45.221 44.763 0.458 1
1 17 . 8 1 1 A 10 10 GLY HA3 H 10 3.899 4.085 -0.186 1
1 18 . 8 1 1 A 10 10 GLY C C 10 173.838 172.899 0.939 1
1 19 . 8 1 1 A 10 10 GLY HA2 H 10 3.899 4.077 -0.178 1
1 20 . 8 1 1 A 11 11 LYS CA C 11 55.715 54.996 0.719 1
1 21 . 8 1 1 A 11 11 LYS HA H 11 4.248 4.342 -0.094 1
1 22 . 8 1 1 A 11 11 LYS CB C 11 32.944 32.605 0.339 1
1 30 . 8 1 1 A 11 11 LYS C C 11 175.376 175.392 -0.016 1
1 35 . 8 1 1 A 12 12 HIS N N 12 119.464 120.979 -1.515 1
1 36 . 8 1 1 A 12 12 HIS H H 12 7.756 7.771 -0.015 1
1 37 . 8 1 1 A 12 12 HIS CA C 12 55.768 57.507 -1.739 1
1 38 . 8 1 1 A 12 12 HIS HA H 12 4.590 4.513 0.077 1
1 39 . 8 1 1 A 12 12 HIS CB C 12 31.837 30.670 1.167 1
1 45 . 8 1 1 A 12 12 HIS C C 12 173.771 174.452 -0.681 1
1 47 . 8 1 1 A 13 13 PHE N N 13 121.351 126.034 -4.683 1
1 48 . 8 1 1 A 13 13 PHE H H 13 8.608 9.097 -0.489 1
1 49 . 8 1 1 A 13 13 PHE CA C 13 57.043 57.094 -0.051 1
1 50 . 8 1 1 A 13 13 PHE HA H 13 4.695 5.255 -0.560 1
1 51 . 8 1 1 A 13 13 PHE CB C 13 40.358 40.692 -0.334 1
1 63 . 8 1 1 A 13 13 PHE C C 13 174.660 174.953 -0.293 1
1 65 . 8 1 1 A 14 14 GLU N N 14 123.701 124.876 -1.175 1
1 66 . 8 1 1 A 14 14 GLU H H 14 8.703 9.122 -0.419 1
1 67 . 8 1 1 A 14 14 GLU CA C 14 55.192 55.215 -0.023 1
1 68 . 8 1 1 A 14 14 GLU HA H 14 4.930 5.401 -0.471 1
1 69 . 8 1 1 A 14 14 GLU CB C 14 32.782 31.865 0.917 1
1 73 . 8 1 1 A 14 14 GLU C C 14 175.204 176.533 -1.329 1
1 76 . 8 1 1 A 15 15 CYS N N 15 126.235 124.428 1.807 1
1 77 . 8 1 1 A 15 15 CYS H H 15 9.225 9.249 -0.024 1
1 78 . 8 1 1 A 15 15 CYS CA C 15 59.373 59.461 -0.088 1
1 79 . 8 1 1 A 15 15 CYS HA H 15 4.675 4.753 -0.078 1
1 80 . 8 1 1 A 15 15 CYS CB C 15 29.593 28.524 1.069 1
1 82 . 8 1 1 A 15 15 CYS C C 15 177.738 176.484 1.254 1
1 84 . 8 1 1 A 16 16 THR N N 16 111.509 121.901 -10.392 1
1 85 . 8 1 1 A 16 16 THR H H 16 8.979 8.751 0.228 1
1 86 . 8 1 1 A 16 16 THR CA C 16 64.511 65.307 -0.796 1
1 87 . 8 1 1 A 16 16 THR HA H 16 4.164 4.146 0.018 1
1 88 . 8 1 1 A 16 16 THR CB C 16 68.647 68.588 0.059 1
1 94 . 8 1 1 A 16 16 THR C C 16 175.013 176.072 -1.059 1
1 95 . 8 1 1 A 17 17 GLU N N 17 122.589 120.206 2.383 1
1 96 . 8 1 1 A 17 17 GLU H H 17 8.635 7.357 1.278 1
1 97 . 8 1 1 A 17 17 GLU CA C 17 58.162 58.779 -0.617 1
1 98 . 8 1 1 A 17 17 GLU HA H 17 4.239 3.983 0.256 1
1 99 . 8 1 1 A 17 17 GLU CB C 17 29.496 29.546 -0.050 1
1 103 . 8 1 1 A 17 17 GLU C C 17 177.246 178.255 -1.009 1
1 106 . 8 1 1 A 18 18 CYS N N 18 114.562 114.733 -0.171 1
1 107 . 8 1 1 A 18 18 CYS H H 18 7.910 7.746 0.164 1
1 108 . 8 1 1 A 18 18 CYS CA C 18 58.391 59.629 -1.238 1
1 109 . 8 1 1 A 18 18 CYS HA H 18 5.164 4.534 0.630 1
1 110 . 8 1 1 A 18 18 CYS CB C 18 32.468 29.455 3.013 1
1 112 . 8 1 1 A 18 18 CYS C C 18 176.262 175.243 1.019 1
1 114 . 8 1 1 A 19 19 GLY N N 19 113.487 110.287 3.200 1
1 115 . 8 1 1 A 19 19 GLY H H 19 8.165 8.073 0.092 1
1 116 . 8 1 1 A 19 19 GLY CA C 19 46.214 44.984 1.230 1
1 117 . 8 1 1 A 19 19 GLY HA3 H 19 3.886 4.102 -0.216 1
1 118 . 8 1 1 A 19 19 GLY C C 19 173.798 174.570 -0.772 1
1 119 . 8 1 1 A 19 19 GLY HA2 H 19 4.214 4.077 0.137 1
1 120 . 8 1 1 A 20 20 LYS N N 20 122.564 122.726 -0.162 1
1 121 . 8 1 1 A 20 20 LYS H H 20 7.884 7.675 0.209 1
1 122 . 8 1 1 A 20 20 LYS CA C 20 57.974 56.063 1.911 1
1 123 . 8 1 1 A 20 20 LYS HA H 20 3.962 4.128 -0.166 1
1 124 . 8 1 1 A 20 20 LYS CB C 20 33.877 32.868 1.009 1
1 132 . 8 1 1 A 20 20 LYS C C 20 173.740 175.988 -2.248 1
1 137 . 8 1 1 A 21 21 ALA N N 21 123.364 128.634 -5.270 1
1 138 . 8 1 1 A 21 21 ALA H H 21 7.839 8.295 -0.456 1
1 139 . 8 1 1 A 21 21 ALA CA C 21 50.556 50.520 0.036 1
1 140 . 8 1 1 A 21 21 ALA HA H 21 4.987 5.216 -0.229 1
1 141 . 8 1 1 A 21 21 ALA CB C 21 21.924 20.499 1.425 1
1 145 . 8 1 1 A 21 21 ALA C C 21 176.349 176.619 -0.270 1
1 146 . 8 1 1 A 22 22 PHE N N 22 117.458 119.515 -2.057 1
1 147 . 8 1 1 A 22 22 PHE H H 22 8.633 9.648 -1.015 1
1 148 . 8 1 1 A 22 22 PHE CA C 22 57.005 56.804 0.201 1
1 149 . 8 1 1 A 22 22 PHE HA H 22 4.855 5.062 -0.207 1
1 150 . 8 1 1 A 22 22 PHE CB C 22 43.656 42.502 1.154 1
1 162 . 8 1 1 A 22 22 PHE C C 22 175.978 175.894 0.084 1
1 164 . 8 1 1 A 23 23 THR CA C 23 62.840 62.989 -0.149 1
1 165 . 8 1 1 A 23 23 THR HA H 23 4.615 3.973 0.642 1
1 166 . 8 1 1 A 23 23 THR CB C 23 69.738 69.085 0.653 1
1 172 . 8 1 1 A 23 23 THR C C 23 174.588 174.435 0.153 1
1 173 . 8 1 1 A 24 24 ARG N N 24 117.287 120.190 -2.903 1
1 174 . 8 1 1 A 24 24 ARG H H 24 7.306 7.611 -0.305 1
1 175 . 8 1 1 A 24 24 ARG CA C 24 54.452 54.170 0.282 1
1 176 . 8 1 1 A 24 24 ARG HA H 24 4.703 4.806 -0.103 1
1 177 . 8 1 1 A 24 24 ARG CB C 24 33.863 33.586 0.277 1
1 183 . 8 1 1 A 24 24 ARG C C 24 175.439 176.114 -0.675 1
1 187 . 8 1 1 A 25 25 LYS CA C 25 59.205 57.935 1.270 1
1 188 . 8 1 1 A 25 25 LYS HA H 25 3.150 3.442 -0.292 1
1 189 . 8 1 1 A 25 25 LYS CB C 25 31.728 31.571 0.157 1
1 200 . 8 1 1 A 26 26 SER CA C 26 60.817 62.309 -1.492 1
1 201 . 8 1 1 A 26 26 SER HA H 26 4.043 4.029 0.014 1
1 202 . 8 1 1 A 26 26 SER CB C 26 61.472 63.071 -1.599 1
1 204 . 8 1 1 A 26 26 SER C C 26 177.205 176.104 1.101 1
1 206 . 8 1 1 A 27 27 THR N N 27 117.923 117.379 0.544 1
1 207 . 8 1 1 A 27 27 THR H H 27 6.917 7.885 -0.968 1
1 208 . 8 1 1 A 27 27 THR CA C 27 65.095 66.941 -1.846 1
1 209 . 8 1 1 A 27 27 THR HA H 27 3.923 3.914 0.009 1
1 210 . 8 1 1 A 27 27 THR CB C 27 67.872 68.573 -0.701 1
1 216 . 8 1 1 A 27 27 THR C C 27 176.713 175.904 0.809 1
1 217 . 8 1 1 A 28 28 LEU N N 28 123.790 121.717 2.073 1
1 218 . 8 1 1 A 28 28 LEU H H 28 7.141 7.512 -0.371 1
1 219 . 8 1 1 A 28 28 LEU CA C 28 58.267 57.468 0.799 1
1 220 . 8 1 1 A 28 28 LEU HA H 28 3.229 2.862 0.367 1
1 221 . 8 1 1 A 28 28 LEU CB C 28 40.123 41.200 -1.077 1
1 233 . 8 1 1 A 28 28 LEU C C 28 177.782 178.373 -0.591 1
1 235 . 8 1 1 A 29 29 SER N N 29 114.756 115.030 -0.274 1
1 236 . 8 1 1 A 29 29 SER H H 29 8.465 7.653 0.812 1
1 237 . 8 1 1 A 29 29 SER CA C 29 61.832 61.955 -0.123 1
1 238 . 8 1 1 A 29 29 SER HA H 29 4.255 4.085 0.170 1
1 239 . 8 1 1 A 29 29 SER CB C 29 62.537 63.035 -0.498 1
1 241 . 8 1 1 A 29 29 SER C C 29 177.070 176.178 0.892 1
1 243 . 8 1 1 A 30 30 MET N N 30 119.297 119.798 -0.501 1
1 244 . 8 1 1 A 30 30 MET H H 30 7.502 7.599 -0.097 1
1 245 . 8 1 1 A 30 30 MET CA C 30 58.202 57.721 0.481 1
1 246 . 8 1 1 A 30 30 MET HA H 30 4.154 4.319 -0.165 1
1 247 . 8 1 1 A 30 30 MET CB C 30 32.390 32.103 0.287 1
1 255 . 8 1 1 A 30 30 MET C C 30 178.561 178.427 0.134 1
1 258 . 8 1 1 A 31 31 HIS N N 31 120.247 120.513 -0.266 1
1 259 . 8 1 1 A 31 31 HIS H H 31 7.805 8.084 -0.279 1
1 260 . 8 1 1 A 31 31 HIS CA C 31 59.197 59.731 -0.534 1
1 261 . 8 1 1 A 31 31 HIS HA H 31 4.168 4.170 -0.002 1
1 262 . 8 1 1 A 31 31 HIS CB C 31 28.173 29.910 -1.737 1
1 268 . 8 1 1 A 31 31 HIS C C 31 176.343 177.531 -1.188 1
1 270 . 8 1 1 A 32 32 GLN N N 32 115.288 118.505 -3.217 1
1 271 . 8 1 1 A 32 32 GLN H H 32 8.405 8.584 -0.179 1
1 272 . 8 1 1 A 32 32 GLN CA C 32 59.419 58.656 0.763 1
1 273 . 8 1 1 A 32 32 GLN HA H 32 3.692 4.005 -0.313 1
1 274 . 8 1 1 A 32 32 GLN CB C 32 28.474 28.318 0.156 1
1 281 . 8 1 1 A 32 32 GLN C C 32 177.514 177.585 -0.071 1
1 284 . 8 1 1 A 33 33 LYS N N 33 117.142 118.565 -1.423 1
1 285 . 8 1 1 A 33 33 LYS H H 33 7.103 7.877 -0.774 1
1 286 . 8 1 1 A 33 33 LYS CA C 33 58.467 57.757 0.710 1
1 287 . 8 1 1 A 33 33 LYS HA H 33 4.111 4.444 -0.333 1
1 288 . 8 1 1 A 33 33 LYS CB C 33 32.225 32.245 -0.020 1
1 296 . 8 1 1 A 33 33 LYS C C 33 178.784 178.957 -0.173 1
1 301 . 8 1 1 A 34 34 ILE N N 34 116.412 115.404 1.008 1
1 302 . 8 1 1 A 34 34 ILE H H 34 7.822 7.898 -0.076 1
1 303 . 8 1 1 A 34 34 ILE CA C 34 63.061 62.973 0.088 1
1 304 . 8 1 1 A 34 34 ILE HA H 34 3.975 3.833 0.142 1
1 305 . 8 1 1 A 34 34 ILE CB C 34 37.649 37.187 0.462 1
1 317 . 8 1 1 A 34 34 ILE C C 34 177.516 176.303 1.213 1
1 319 . 8 1 1 A 35 35 HIS N N 35 117.694 119.358 -1.664 1
1 320 . 8 1 1 A 35 35 HIS H H 35 7.194 7.311 -0.117 1
1 321 . 8 1 1 A 35 35 HIS CA C 35 55.301 57.125 -1.824 1
1 322 . 8 1 1 A 35 35 HIS HA H 35 4.846 4.586 0.260 1
1 323 . 8 1 1 A 35 35 HIS CB C 35 28.487 31.445 -2.958 1
1 329 . 8 1 1 A 35 35 HIS C C 35 175.812 177.278 -1.466 1
1 331 . 8 1 1 A 36 36 THR N N 36 111.822 113.070 -1.248 1
1 332 . 8 1 1 A 36 36 THR H H 36 7.763 8.064 -0.301 1
1 333 . 8 1 1 A 36 36 THR CA C 36 62.564 65.343 -2.779 1
1 334 . 8 1 1 A 36 36 THR HA H 36 4.350 4.013 0.337 1
1 335 . 8 1 1 A 36 36 THR CB C 36 69.813 67.954 1.859 1
1 341 . 8 1 1 A 36 36 THR C C 36 175.513 176.786 -1.273 1
1 342 . 8 1 1 A 37 37 GLY N N 37 110.617 110.668 -0.051 1
1 343 . 8 1 1 A 37 37 GLY H H 37 8.212 7.989 0.223 1
1 344 . 8 1 1 A 37 37 GLY CA C 37 45.405 47.355 -1.950 1
1 345 . 8 1 1 A 37 37 GLY HA3 H 37 4.024 3.706 0.318 1
1 346 . 8 1 1 A 37 37 GLY C C 37 174.041 174.400 -0.359 1
1 347 . 8 1 1 A 37 37 GLY HA2 H 37 3.966 3.698 0.268 1
1 348 . 8 1 1 A 38 38 GLU N N 38 120.572 119.709 0.863 1
1 349 . 8 1 1 A 38 38 GLU H H 38 8.097 8.095 0.002 1
1 350 . 8 1 1 A 38 38 GLU CA C 38 56.480 55.167 1.313 1
1 351 . 8 1 1 A 38 38 GLU HA H 38 4.253 4.758 -0.505 1
1 352 . 8 1 1 A 38 38 GLU CB C 38 30.586 32.514 -1.928 1
1 356 . 8 1 1 A 38 38 GLU C C 38 176.244 175.366 0.878 1
1 359 . 8 1 1 A 39 39 LYS N N 39 123.658 121.878 1.780 1
1 360 . 8 1 1 A 39 39 LYS H H 39 8.366 8.990 -0.624 1
1 361 . 8 1 1 A 39 39 LYS CA C 39 54.084 54.260 -0.176 1
1 362 . 8 1 1 A 39 39 LYS HA H 39 4.614 4.943 -0.329 1
1 363 . 8 1 1 A 39 39 LYS CB C 39 32.557 36.193 -3.636 1
1 371 . 8 1 1 A 39 39 LYS C C 39 174.505 173.492 1.013 1
1 376 . 8 1 1 A 40 40 PRO CA C 40 63.210 62.826 0.384 1
1 377 . 8 1 1 A 40 40 PRO HA H 40 4.466 4.432 0.034 1
1 378 . 8 1 1 A 40 40 PRO CB C 40 32.186 32.095 0.091 1
1 384 . 8 1 1 A 40 40 PRO C C 40 177.000 176.870 0.130 1
1 388 . 8 1 1 A 41 41 SER N N 41 116.449 117.982 -1.533 1
1 389 . 8 1 1 A 41 41 SER H H 41 8.466 8.536 -0.070 1
1 390 . 8 1 1 A 41 41 SER CA C 41 58.350 59.262 -0.912 1
1 391 . 8 1 1 A 41 41 SER HA H 41 4.472 4.219 0.253 1
1 392 . 8 1 1 A 41 41 SER CB C 41 64.016 63.506 0.510 1
1 394 . 8 1 1 A 41 41 SER C C 41 174.682 174.454 0.228 1
1 396 . 8 1 1 A 42 42 GLY CA C 42 44.670 45.243 -0.573 1
1 397 . 8 1 1 A 42 42 GLY HA3 H 42 4.165 4.240 -0.075 1
1 398 . 8 1 1 A 42 42 GLY HA2 H 42 4.109 4.239 -0.130 1
1 399 . 8 1 1 A 43 43 PRO CA C 43 63.265 63.852 -0.587 1
1 400 . 8 1 1 A 43 43 PRO HA H 43 4.478 4.600 -0.122 1
1 401 . 8 1 1 A 43 43 PRO CB C 43 32.223 31.615 0.608 1
1 410 . 8 1 1 A 45 45 SER CA C 45 58.389 56.720 1.669 1
1 411 . 8 1 1 A 45 45 SER HA H 45 4.498 5.383 -0.885 1
1 412 . 8 1 1 A 45 45 SER CB C 45 63.929 65.061 -1.132 1
1 414 . 8 1 1 A 45 45 SER C C 45 173.909 173.969 -0.060 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.938 59.551 2.387 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.380 4.874 -0.494 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.802 71.860 -2.058 1
1 9 . 9 1 1 A 9 9 GLY N N 9 110.579 113.607 -3.028 1
1 10 . 9 1 1 A 9 9 GLY H H 9 8.211 8.901 -0.690 1
1 11 . 9 1 1 A 9 9 GLY CA C 9 45.481 45.086 0.395 1
1 12 . 9 1 1 A 9 9 GLY C C 9 174.663 174.877 -0.214 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.996 4.167 -0.171 1
1 14 . 9 1 1 A 10 10 GLY N N 10 108.571 116.252 -7.681 1
1 15 . 9 1 1 A 10 10 GLY H H 10 8.251 8.916 -0.665 1
1 16 . 9 1 1 A 10 10 GLY CA C 10 45.221 47.115 -1.894 1
1 17 . 9 1 1 A 10 10 GLY HA3 H 10 3.899 3.841 0.058 1
1 18 . 9 1 1 A 10 10 GLY C C 10 173.838 174.125 -0.287 1
1 19 . 9 1 1 A 10 10 GLY HA2 H 10 3.899 3.839 0.060 1
1 20 . 9 1 1 A 11 11 LYS CA C 11 55.715 55.064 0.651 1
1 21 . 9 1 1 A 11 11 LYS HA H 11 4.248 4.375 -0.127 1
1 22 . 9 1 1 A 11 11 LYS CB C 11 32.944 32.925 0.019 1
1 30 . 9 1 1 A 11 11 LYS C C 11 175.376 174.765 0.611 1
1 35 . 9 1 1 A 12 12 HIS N N 12 119.464 122.413 -2.949 1
1 36 . 9 1 1 A 12 12 HIS H H 12 7.756 8.098 -0.342 1
1 37 . 9 1 1 A 12 12 HIS CA C 12 55.768 56.515 -0.747 1
1 38 . 9 1 1 A 12 12 HIS HA H 12 4.590 4.552 0.038 1
1 39 . 9 1 1 A 12 12 HIS CB C 12 31.837 30.720 1.117 1
1 45 . 9 1 1 A 12 12 HIS C C 12 173.771 173.401 0.370 1
1 47 . 9 1 1 A 13 13 PHE N N 13 121.351 125.954 -4.603 1
1 48 . 9 1 1 A 13 13 PHE H H 13 8.608 8.924 -0.316 1
1 49 . 9 1 1 A 13 13 PHE CA C 13 57.043 57.343 -0.300 1
1 50 . 9 1 1 A 13 13 PHE HA H 13 4.695 5.219 -0.524 1
1 51 . 9 1 1 A 13 13 PHE CB C 13 40.358 40.786 -0.428 1
1 63 . 9 1 1 A 13 13 PHE C C 13 174.660 174.882 -0.222 1
1 65 . 9 1 1 A 14 14 GLU N N 14 123.701 124.813 -1.112 1
1 66 . 9 1 1 A 14 14 GLU H H 14 8.703 9.178 -0.475 1
1 67 . 9 1 1 A 14 14 GLU CA C 14 55.192 54.791 0.401 1
1 68 . 9 1 1 A 14 14 GLU HA H 14 4.930 5.487 -0.557 1
1 69 . 9 1 1 A 14 14 GLU CB C 14 32.782 32.868 -0.086 1
1 73 . 9 1 1 A 14 14 GLU C C 14 175.204 176.171 -0.967 1
1 76 . 9 1 1 A 15 15 CYS N N 15 126.235 124.841 1.394 1
1 77 . 9 1 1 A 15 15 CYS H H 15 9.225 9.148 0.077 1
1 78 . 9 1 1 A 15 15 CYS CA C 15 59.373 59.422 -0.049 1
1 79 . 9 1 1 A 15 15 CYS HA H 15 4.675 4.718 -0.043 1
1 80 . 9 1 1 A 15 15 CYS CB C 15 29.593 28.631 0.962 1
1 82 . 9 1 1 A 15 15 CYS C C 15 177.738 176.483 1.255 1
1 84 . 9 1 1 A 16 16 THR N N 16 111.509 121.869 -10.360 1
1 85 . 9 1 1 A 16 16 THR H H 16 8.979 8.727 0.252 1
1 86 . 9 1 1 A 16 16 THR CA C 16 64.511 65.353 -0.842 1
1 87 . 9 1 1 A 16 16 THR HA H 16 4.164 4.102 0.062 1
1 88 . 9 1 1 A 16 16 THR CB C 16 68.647 68.739 -0.092 1
1 94 . 9 1 1 A 16 16 THR C C 16 175.013 176.428 -1.415 1
1 95 . 9 1 1 A 17 17 GLU N N 17 122.589 120.044 2.545 1
1 96 . 9 1 1 A 17 17 GLU H H 17 8.635 7.735 0.900 1
1 97 . 9 1 1 A 17 17 GLU CA C 17 58.162 59.002 -0.840 1
1 98 . 9 1 1 A 17 17 GLU HA H 17 4.239 3.978 0.261 1
1 99 . 9 1 1 A 17 17 GLU CB C 17 29.496 29.441 0.055 1
1 103 . 9 1 1 A 17 17 GLU C C 17 177.246 178.178 -0.932 1
1 106 . 9 1 1 A 18 18 CYS N N 18 114.562 114.757 -0.195 1
1 107 . 9 1 1 A 18 18 CYS H H 18 7.910 7.725 0.185 1
1 108 . 9 1 1 A 18 18 CYS CA C 18 58.391 59.788 -1.397 1
1 109 . 9 1 1 A 18 18 CYS HA H 18 5.164 4.533 0.631 1
1 110 . 9 1 1 A 18 18 CYS CB C 18 32.468 29.457 3.011 1
1 112 . 9 1 1 A 18 18 CYS C C 18 176.262 175.163 1.099 1
1 114 . 9 1 1 A 19 19 GLY N N 19 113.487 110.411 3.076 1
1 115 . 9 1 1 A 19 19 GLY H H 19 8.165 8.153 0.012 1
1 116 . 9 1 1 A 19 19 GLY CA C 19 46.214 45.158 1.056 1
1 117 . 9 1 1 A 19 19 GLY HA3 H 19 3.886 4.078 -0.192 1
1 118 . 9 1 1 A 19 19 GLY C C 19 173.798 174.482 -0.684 1
1 119 . 9 1 1 A 19 19 GLY HA2 H 19 4.214 4.055 0.159 1
1 120 . 9 1 1 A 20 20 LYS N N 20 122.564 122.120 0.444 1
1 121 . 9 1 1 A 20 20 LYS H H 20 7.884 7.559 0.325 1
1 122 . 9 1 1 A 20 20 LYS CA C 20 57.974 55.617 2.357 1
1 123 . 9 1 1 A 20 20 LYS HA H 20 3.962 4.281 -0.319 1
1 124 . 9 1 1 A 20 20 LYS CB C 20 33.877 33.290 0.587 1
1 132 . 9 1 1 A 20 20 LYS C C 20 173.740 175.988 -2.248 1
1 137 . 9 1 1 A 21 21 ALA N N 21 123.364 128.757 -5.393 1
1 138 . 9 1 1 A 21 21 ALA H H 21 7.839 8.572 -0.733 1
1 139 . 9 1 1 A 21 21 ALA CA C 21 50.556 50.400 0.156 1
1 140 . 9 1 1 A 21 21 ALA HA H 21 4.987 5.270 -0.283 1
1 141 . 9 1 1 A 21 21 ALA CB C 21 21.924 20.076 1.848 1
1 145 . 9 1 1 A 21 21 ALA C C 21 176.349 176.488 -0.139 1
1 146 . 9 1 1 A 22 22 PHE N N 22 117.458 120.155 -2.697 1
1 147 . 9 1 1 A 22 22 PHE H H 22 8.633 9.837 -1.204 1
1 148 . 9 1 1 A 22 22 PHE CA C 22 57.005 56.308 0.697 1
1 149 . 9 1 1 A 22 22 PHE HA H 22 4.855 5.266 -0.411 1
1 150 . 9 1 1 A 22 22 PHE CB C 22 43.656 42.024 1.632 1
1 162 . 9 1 1 A 22 22 PHE C C 22 175.978 176.308 -0.330 1
1 164 . 9 1 1 A 23 23 THR CA C 23 62.840 62.307 0.533 1
1 165 . 9 1 1 A 23 23 THR HA H 23 4.615 3.795 0.820 1
1 166 . 9 1 1 A 23 23 THR CB C 23 69.738 68.899 0.839 1
1 172 . 9 1 1 A 23 23 THR C C 23 174.588 174.015 0.573 1
1 173 . 9 1 1 A 24 24 ARG N N 24 117.287 120.774 -3.487 1
1 174 . 9 1 1 A 24 24 ARG H H 24 7.306 7.670 -0.364 1
1 175 . 9 1 1 A 24 24 ARG CA C 24 54.452 54.594 -0.142 1
1 176 . 9 1 1 A 24 24 ARG HA H 24 4.703 4.798 -0.095 1
1 177 . 9 1 1 A 24 24 ARG CB C 24 33.863 33.119 0.744 1
1 183 . 9 1 1 A 24 24 ARG C C 24 175.439 176.045 -0.606 1
1 187 . 9 1 1 A 25 25 LYS CA C 25 59.205 58.973 0.232 1
1 188 . 9 1 1 A 25 25 LYS HA H 25 3.150 3.160 -0.010 1
1 189 . 9 1 1 A 25 25 LYS CB C 25 31.728 31.377 0.351 1
1 200 . 9 1 1 A 26 26 SER CA C 26 60.817 62.343 -1.526 1
1 201 . 9 1 1 A 26 26 SER HA H 26 4.043 4.055 -0.012 1
1 202 . 9 1 1 A 26 26 SER CB C 26 61.472 63.013 -1.541 1
1 204 . 9 1 1 A 26 26 SER C C 26 177.205 175.829 1.376 1
1 206 . 9 1 1 A 27 27 THR N N 27 117.923 117.402 0.521 1
1 207 . 9 1 1 A 27 27 THR H H 27 6.917 7.931 -1.014 1
1 208 . 9 1 1 A 27 27 THR CA C 27 65.095 67.120 -2.025 1
1 209 . 9 1 1 A 27 27 THR HA H 27 3.923 3.909 0.014 1
1 210 . 9 1 1 A 27 27 THR CB C 27 67.872 68.570 -0.698 1
1 216 . 9 1 1 A 27 27 THR C C 27 176.713 175.986 0.727 1
1 217 . 9 1 1 A 28 28 LEU N N 28 123.790 121.752 2.038 1
1 218 . 9 1 1 A 28 28 LEU H H 28 7.141 7.714 -0.573 1
1 219 . 9 1 1 A 28 28 LEU CA C 28 58.267 57.565 0.702 1
1 220 . 9 1 1 A 28 28 LEU HA H 28 3.229 2.954 0.275 1
1 221 . 9 1 1 A 28 28 LEU CB C 28 40.123 41.471 -1.348 1
1 233 . 9 1 1 A 28 28 LEU C C 28 177.782 178.424 -0.642 1
1 235 . 9 1 1 A 29 29 SER N N 29 114.756 114.886 -0.130 1
1 236 . 9 1 1 A 29 29 SER H H 29 8.465 7.960 0.505 1
1 237 . 9 1 1 A 29 29 SER CA C 29 61.832 61.822 0.010 1
1 238 . 9 1 1 A 29 29 SER HA H 29 4.255 4.081 0.174 1
1 239 . 9 1 1 A 29 29 SER CB C 29 62.537 62.946 -0.409 1
1 241 . 9 1 1 A 29 29 SER C C 29 177.070 176.476 0.594 1
1 243 . 9 1 1 A 30 30 MET N N 30 119.297 119.750 -0.453 1
1 244 . 9 1 1 A 30 30 MET H H 30 7.502 7.634 -0.132 1
1 245 . 9 1 1 A 30 30 MET CA C 30 58.202 57.763 0.439 1
1 246 . 9 1 1 A 30 30 MET HA H 30 4.154 4.309 -0.155 1
1 247 . 9 1 1 A 30 30 MET CB C 30 32.390 32.087 0.303 1
1 255 . 9 1 1 A 30 30 MET C C 30 178.561 178.338 0.223 1
1 258 . 9 1 1 A 31 31 HIS N N 31 120.247 120.373 -0.126 1
1 259 . 9 1 1 A 31 31 HIS H H 31 7.805 8.168 -0.363 1
1 260 . 9 1 1 A 31 31 HIS CA C 31 59.197 59.899 -0.702 1
1 261 . 9 1 1 A 31 31 HIS HA H 31 4.168 4.141 0.027 1
1 262 . 9 1 1 A 31 31 HIS CB C 31 28.173 29.742 -1.569 1
1 268 . 9 1 1 A 31 31 HIS C C 31 176.343 177.396 -1.053 1
1 270 . 9 1 1 A 32 32 GLN N N 32 115.288 118.413 -3.125 1
1 271 . 9 1 1 A 32 32 GLN H H 32 8.405 8.534 -0.129 1
1 272 . 9 1 1 A 32 32 GLN CA C 32 59.419 58.671 0.748 1
1 273 . 9 1 1 A 32 32 GLN HA H 32 3.692 4.044 -0.352 1
1 274 . 9 1 1 A 32 32 GLN CB C 32 28.474 28.334 0.140 1
1 281 . 9 1 1 A 32 32 GLN C C 32 177.514 177.581 -0.067 1
1 284 . 9 1 1 A 33 33 LYS N N 33 117.142 118.671 -1.529 1
1 285 . 9 1 1 A 33 33 LYS H H 33 7.103 7.863 -0.760 1
1 286 . 9 1 1 A 33 33 LYS CA C 33 58.467 58.077 0.390 1
1 287 . 9 1 1 A 33 33 LYS HA H 33 4.111 4.299 -0.188 1
1 288 . 9 1 1 A 33 33 LYS CB C 33 32.225 32.367 -0.142 1
1 296 . 9 1 1 A 33 33 LYS C C 33 178.784 179.156 -0.372 1
1 301 . 9 1 1 A 34 34 ILE N N 34 116.412 115.527 0.885 1
1 302 . 9 1 1 A 34 34 ILE H H 34 7.822 7.876 -0.054 1
1 303 . 9 1 1 A 34 34 ILE CA C 34 63.061 62.815 0.246 1
1 304 . 9 1 1 A 34 34 ILE HA H 34 3.975 3.878 0.097 1
1 305 . 9 1 1 A 34 34 ILE CB C 34 37.649 37.172 0.477 1
1 317 . 9 1 1 A 34 34 ILE C C 34 177.516 176.359 1.157 1
1 319 . 9 1 1 A 35 35 HIS N N 35 117.694 119.185 -1.491 1
1 320 . 9 1 1 A 35 35 HIS H H 35 7.194 7.302 -0.108 1
1 321 . 9 1 1 A 35 35 HIS CA C 35 55.301 57.235 -1.934 1
1 322 . 9 1 1 A 35 35 HIS HA H 35 4.846 4.561 0.285 1
1 323 . 9 1 1 A 35 35 HIS CB C 35 28.487 31.392 -2.905 1
1 329 . 9 1 1 A 35 35 HIS C C 35 175.812 177.510 -1.698 1
1 331 . 9 1 1 A 36 36 THR N N 36 111.822 110.901 0.921 1
1 332 . 9 1 1 A 36 36 THR H H 36 7.763 7.493 0.270 1
1 333 . 9 1 1 A 36 36 THR CA C 36 62.564 63.404 -0.840 1
1 334 . 9 1 1 A 36 36 THR HA H 36 4.350 4.149 0.201 1
1 335 . 9 1 1 A 36 36 THR CB C 36 69.813 69.807 0.006 1
1 341 . 9 1 1 A 36 36 THR C C 36 175.513 174.698 0.815 1
1 342 . 9 1 1 A 37 37 GLY N N 37 110.617 109.200 1.417 1
1 343 . 9 1 1 A 37 37 GLY H H 37 8.212 7.013 1.199 1
1 344 . 9 1 1 A 37 37 GLY CA C 37 45.405 45.202 0.203 1
1 345 . 9 1 1 A 37 37 GLY HA3 H 37 4.024 4.050 -0.026 1
1 346 . 9 1 1 A 37 37 GLY C C 37 174.041 172.255 1.786 1
1 347 . 9 1 1 A 37 37 GLY HA2 H 37 3.966 4.045 -0.079 1
1 348 . 9 1 1 A 38 38 GLU N N 38 120.572 124.128 -3.556 1
1 349 . 9 1 1 A 38 38 GLU H H 38 8.097 8.674 -0.577 1
1 350 . 9 1 1 A 38 38 GLU CA C 38 56.480 56.973 -0.493 1
1 351 . 9 1 1 A 38 38 GLU HA H 38 4.253 4.335 -0.082 1
1 352 . 9 1 1 A 38 38 GLU CB C 38 30.586 30.252 0.334 1
1 356 . 9 1 1 A 38 38 GLU C C 38 176.244 175.633 0.611 1
1 359 . 9 1 1 A 39 39 LYS N N 39 123.658 126.882 -3.224 1
1 360 . 9 1 1 A 39 39 LYS H H 39 8.366 8.200 0.166 1
1 361 . 9 1 1 A 39 39 LYS CA C 39 54.084 53.062 1.022 1
1 362 . 9 1 1 A 39 39 LYS HA H 39 4.614 4.750 -0.136 1
1 363 . 9 1 1 A 39 39 LYS CB C 39 32.557 34.911 -2.354 1
1 371 . 9 1 1 A 39 39 LYS C C 39 174.505 176.191 -1.686 1
1 376 . 9 1 1 A 40 40 PRO CA C 40 63.210 63.697 -0.487 1
1 377 . 9 1 1 A 40 40 PRO HA H 40 4.466 4.527 -0.061 1
1 378 . 9 1 1 A 40 40 PRO CB C 40 32.186 31.721 0.465 1
1 384 . 9 1 1 A 40 40 PRO C C 40 177.000 176.414 0.586 1
1 388 . 9 1 1 A 41 41 SER N N 41 116.449 115.682 0.767 1
1 389 . 9 1 1 A 41 41 SER H H 41 8.466 7.866 0.600 1
1 390 . 9 1 1 A 41 41 SER CA C 41 58.350 58.461 -0.111 1
1 391 . 9 1 1 A 41 41 SER HA H 41 4.472 4.657 -0.185 1
1 392 . 9 1 1 A 41 41 SER CB C 41 64.016 65.108 -1.092 1
1 394 . 9 1 1 A 41 41 SER C C 41 174.682 174.799 -0.117 1
1 396 . 9 1 1 A 42 42 GLY CA C 42 44.670 44.356 0.314 1
1 397 . 9 1 1 A 42 42 GLY HA3 H 42 4.165 4.070 0.095 1
1 398 . 9 1 1 A 42 42 GLY HA2 H 42 4.109 4.068 0.041 1
1 399 . 9 1 1 A 43 43 PRO CA C 43 63.265 64.722 -1.457 1
1 400 . 9 1 1 A 43 43 PRO HA H 43 4.478 4.417 0.061 1
1 401 . 9 1 1 A 43 43 PRO CB C 43 32.223 32.067 0.156 1
1 410 . 9 1 1 A 45 45 SER CA C 45 58.389 57.285 1.104 1
1 411 . 9 1 1 A 45 45 SER HA H 45 4.498 4.845 -0.347 1
1 412 . 9 1 1 A 45 45 SER CB C 45 63.929 66.115 -2.186 1
1 414 . 9 1 1 A 45 45 SER C C 45 173.909 173.323 0.586 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.938 61.390 0.548 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.380 4.878 -0.498 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.802 71.603 -1.801 1
1 9 . 10 1 1 A 9 9 GLY N N 9 110.579 113.907 -3.328 1
1 10 . 10 1 1 A 9 9 GLY H H 9 8.211 8.680 -0.469 1
1 11 . 10 1 1 A 9 9 GLY CA C 9 45.481 44.720 0.761 1
1 12 . 10 1 1 A 9 9 GLY C C 9 174.663 174.761 -0.098 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.996 4.115 -0.119 1
1 14 . 10 1 1 A 10 10 GLY N N 10 108.571 108.074 0.497 1
1 15 . 10 1 1 A 10 10 GLY H H 10 8.251 8.428 -0.177 1
1 16 . 10 1 1 A 10 10 GLY CA C 10 45.221 46.243 -1.022 1
1 17 . 10 1 1 A 10 10 GLY HA3 H 10 3.899 3.968 -0.069 1
1 18 . 10 1 1 A 10 10 GLY C C 10 173.838 174.311 -0.473 1
1 19 . 10 1 1 A 10 10 GLY HA2 H 10 3.899 3.949 -0.050 1
1 20 . 10 1 1 A 11 11 LYS CA C 11 55.715 56.938 -1.223 1
1 21 . 10 1 1 A 11 11 LYS HA H 11 4.248 3.613 0.635 1
1 22 . 10 1 1 A 11 11 LYS CB C 11 32.944 29.924 3.020 1
1 30 . 10 1 1 A 11 11 LYS C C 11 175.376 174.819 0.557 1
1 35 . 10 1 1 A 12 12 HIS N N 12 119.464 114.987 4.477 1
1 36 . 10 1 1 A 12 12 HIS H H 12 7.756 7.626 0.130 1
1 37 . 10 1 1 A 12 12 HIS CA C 12 55.768 55.785 -0.017 1
1 38 . 10 1 1 A 12 12 HIS HA H 12 4.590 4.975 -0.385 1
1 39 . 10 1 1 A 12 12 HIS CB C 12 31.837 30.501 1.336 1
1 45 . 10 1 1 A 12 12 HIS C C 12 173.771 174.599 -0.828 1
1 47 . 10 1 1 A 13 13 PHE N N 13 121.351 121.609 -0.258 1
1 48 . 10 1 1 A 13 13 PHE H H 13 8.608 9.621 -1.013 1
1 49 . 10 1 1 A 13 13 PHE CA C 13 57.043 57.234 -0.191 1
1 50 . 10 1 1 A 13 13 PHE HA H 13 4.695 4.959 -0.264 1
1 51 . 10 1 1 A 13 13 PHE CB C 13 40.358 40.908 -0.550 1
1 63 . 10 1 1 A 13 13 PHE C C 13 174.660 175.044 -0.384 1
1 65 . 10 1 1 A 14 14 GLU N N 14 123.701 124.394 -0.693 1
1 66 . 10 1 1 A 14 14 GLU H H 14 8.703 8.926 -0.223 1
1 67 . 10 1 1 A 14 14 GLU CA C 14 55.192 55.327 -0.135 1
1 68 . 10 1 1 A 14 14 GLU HA H 14 4.930 5.358 -0.428 1
1 69 . 10 1 1 A 14 14 GLU CB C 14 32.782 31.344 1.438 1
1 73 . 10 1 1 A 14 14 GLU C C 14 175.204 176.791 -1.587 1
1 76 . 10 1 1 A 15 15 CYS N N 15 126.235 125.243 0.992 1
1 77 . 10 1 1 A 15 15 CYS H H 15 9.225 9.371 -0.146 1
1 78 . 10 1 1 A 15 15 CYS CA C 15 59.373 59.531 -0.158 1
1 79 . 10 1 1 A 15 15 CYS HA H 15 4.675 4.730 -0.055 1
1 80 . 10 1 1 A 15 15 CYS CB C 15 29.593 28.729 0.864 1
1 82 . 10 1 1 A 15 15 CYS C C 15 177.738 176.703 1.035 1
1 84 . 10 1 1 A 16 16 THR N N 16 111.509 121.242 -9.733 1
1 85 . 10 1 1 A 16 16 THR H H 16 8.979 8.828 0.151 1
1 86 . 10 1 1 A 16 16 THR CA C 16 64.511 64.417 0.094 1
1 87 . 10 1 1 A 16 16 THR HA H 16 4.164 4.302 -0.138 1
1 88 . 10 1 1 A 16 16 THR CB C 16 68.647 68.828 -0.181 1
1 94 . 10 1 1 A 16 16 THR C C 16 175.013 175.791 -0.778 1
1 95 . 10 1 1 A 17 17 GLU N N 17 122.589 122.106 0.483 1
1 96 . 10 1 1 A 17 17 GLU H H 17 8.635 7.401 1.234 1
1 97 . 10 1 1 A 17 17 GLU CA C 17 58.162 58.548 -0.386 1
1 98 . 10 1 1 A 17 17 GLU HA H 17 4.239 4.040 0.199 1
1 99 . 10 1 1 A 17 17 GLU CB C 17 29.496 29.704 -0.208 1
1 103 . 10 1 1 A 17 17 GLU C C 17 177.246 178.206 -0.960 1
1 106 . 10 1 1 A 18 18 CYS N N 18 114.562 114.783 -0.221 1
1 107 . 10 1 1 A 18 18 CYS H H 18 7.910 7.874 0.036 1
1 108 . 10 1 1 A 18 18 CYS CA C 18 58.391 59.643 -1.252 1
1 109 . 10 1 1 A 18 18 CYS HA H 18 5.164 4.553 0.611 1
1 110 . 10 1 1 A 18 18 CYS CB C 18 32.468 29.505 2.963 1
1 112 . 10 1 1 A 18 18 CYS C C 18 176.262 175.260 1.002 1
1 114 . 10 1 1 A 19 19 GLY N N 19 113.487 110.318 3.169 1
1 115 . 10 1 1 A 19 19 GLY H H 19 8.165 8.088 0.077 1
1 116 . 10 1 1 A 19 19 GLY CA C 19 46.214 45.003 1.211 1
1 117 . 10 1 1 A 19 19 GLY HA3 H 19 3.886 4.112 -0.226 1
1 118 . 10 1 1 A 19 19 GLY C C 19 173.798 174.624 -0.826 1
1 119 . 10 1 1 A 19 19 GLY HA2 H 19 4.214 4.087 0.127 1
1 120 . 10 1 1 A 20 20 LYS N N 20 122.564 122.645 -0.081 1
1 121 . 10 1 1 A 20 20 LYS H H 20 7.884 7.651 0.233 1
1 122 . 10 1 1 A 20 20 LYS CA C 20 57.974 56.096 1.878 1
1 123 . 10 1 1 A 20 20 LYS HA H 20 3.962 4.129 -0.167 1
1 124 . 10 1 1 A 20 20 LYS CB C 20 33.877 32.963 0.914 1
1 132 . 10 1 1 A 20 20 LYS C C 20 173.740 175.907 -2.167 1
1 137 . 10 1 1 A 21 21 ALA N N 21 123.364 128.219 -4.855 1
1 138 . 10 1 1 A 21 21 ALA H H 21 7.839 8.374 -0.535 1
1 139 . 10 1 1 A 21 21 ALA CA C 21 50.556 50.245 0.311 1
1 140 . 10 1 1 A 21 21 ALA HA H 21 4.987 5.386 -0.399 1
1 141 . 10 1 1 A 21 21 ALA CB C 21 21.924 20.956 0.968 1
1 145 . 10 1 1 A 21 21 ALA C C 21 176.349 176.233 0.116 1
1 146 . 10 1 1 A 22 22 PHE N N 22 117.458 118.770 -1.312 1
1 147 . 10 1 1 A 22 22 PHE H H 22 8.633 9.409 -0.776 1
1 148 . 10 1 1 A 22 22 PHE CA C 22 57.005 56.885 0.120 1
1 149 . 10 1 1 A 22 22 PHE HA H 22 4.855 5.005 -0.150 1
1 150 . 10 1 1 A 22 22 PHE CB C 22 43.656 42.755 0.901 1
1 162 . 10 1 1 A 22 22 PHE C C 22 175.978 176.031 -0.053 1
1 164 . 10 1 1 A 23 23 THR CA C 23 62.840 63.457 -0.617 1
1 165 . 10 1 1 A 23 23 THR HA H 23 4.615 4.583 0.032 1
1 166 . 10 1 1 A 23 23 THR CB C 23 69.738 69.244 0.494 1
1 172 . 10 1 1 A 23 23 THR C C 23 174.588 174.141 0.447 1
1 173 . 10 1 1 A 24 24 ARG N N 24 117.287 120.778 -3.491 1
1 174 . 10 1 1 A 24 24 ARG H H 24 7.306 7.722 -0.416 1
1 175 . 10 1 1 A 24 24 ARG CA C 24 54.452 54.577 -0.125 1
1 176 . 10 1 1 A 24 24 ARG HA H 24 4.703 4.886 -0.183 1
1 177 . 10 1 1 A 24 24 ARG CB C 24 33.863 33.315 0.548 1
1 183 . 10 1 1 A 24 24 ARG C C 24 175.439 176.109 -0.670 1
1 187 . 10 1 1 A 25 25 LYS CA C 25 59.205 58.812 0.393 1
1 188 . 10 1 1 A 25 25 LYS HA H 25 3.150 3.245 -0.095 1
1 189 . 10 1 1 A 25 25 LYS CB C 25 31.728 31.521 0.207 1
1 200 . 10 1 1 A 26 26 SER CA C 26 60.817 61.290 -0.473 1
1 201 . 10 1 1 A 26 26 SER HA H 26 4.043 4.092 -0.049 1
1 202 . 10 1 1 A 26 26 SER CB C 26 61.472 62.489 -1.017 1
1 204 . 10 1 1 A 26 26 SER C C 26 177.205 176.887 0.318 1
1 206 . 10 1 1 A 27 27 THR N N 27 117.923 117.363 0.560 1
1 207 . 10 1 1 A 27 27 THR H H 27 6.917 7.901 -0.984 1
1 208 . 10 1 1 A 27 27 THR CA C 27 65.095 67.250 -2.155 1
1 209 . 10 1 1 A 27 27 THR HA H 27 3.923 3.945 -0.022 1
1 210 . 10 1 1 A 27 27 THR CB C 27 67.872 68.702 -0.830 1
1 216 . 10 1 1 A 27 27 THR C C 27 176.713 175.889 0.824 1
1 217 . 10 1 1 A 28 28 LEU N N 28 123.790 121.602 2.188 1
1 218 . 10 1 1 A 28 28 LEU H H 28 7.141 7.690 -0.549 1
1 219 . 10 1 1 A 28 28 LEU CA C 28 58.267 57.522 0.745 1
1 220 . 10 1 1 A 28 28 LEU HA H 28 3.229 2.975 0.254 1
1 221 . 10 1 1 A 28 28 LEU CB C 28 40.123 41.254 -1.131 1
1 233 . 10 1 1 A 28 28 LEU C C 28 177.782 178.096 -0.314 1
1 235 . 10 1 1 A 29 29 SER N N 29 114.756 114.276 0.480 1
1 236 . 10 1 1 A 29 29 SER H H 29 8.465 7.935 0.530 1
1 237 . 10 1 1 A 29 29 SER CA C 29 61.832 61.287 0.545 1
1 238 . 10 1 1 A 29 29 SER HA H 29 4.255 4.005 0.250 1
1 239 . 10 1 1 A 29 29 SER CB C 29 62.537 62.835 -0.298 1
1 241 . 10 1 1 A 29 29 SER C C 29 177.070 176.367 0.703 1
1 243 . 10 1 1 A 30 30 MET N N 30 119.297 119.292 0.005 1
1 244 . 10 1 1 A 30 30 MET H H 30 7.502 7.603 -0.101 1
1 245 . 10 1 1 A 30 30 MET CA C 30 58.202 57.875 0.327 1
1 246 . 10 1 1 A 30 30 MET HA H 30 4.154 4.330 -0.176 1
1 247 . 10 1 1 A 30 30 MET CB C 30 32.390 32.047 0.343 1
1 255 . 10 1 1 A 30 30 MET C C 30 178.561 178.344 0.217 1
1 258 . 10 1 1 A 31 31 HIS N N 31 120.247 120.425 -0.178 1
1 259 . 10 1 1 A 31 31 HIS H H 31 7.805 8.209 -0.404 1
1 260 . 10 1 1 A 31 31 HIS CA C 31 59.197 59.906 -0.709 1
1 261 . 10 1 1 A 31 31 HIS HA H 31 4.168 4.150 0.018 1
1 262 . 10 1 1 A 31 31 HIS CB C 31 28.173 29.857 -1.684 1
1 268 . 10 1 1 A 31 31 HIS C C 31 176.343 177.513 -1.170 1
1 270 . 10 1 1 A 32 32 GLN N N 32 115.288 118.550 -3.262 1
1 271 . 10 1 1 A 32 32 GLN H H 32 8.405 8.431 -0.026 1
1 272 . 10 1 1 A 32 32 GLN CA C 32 59.419 58.724 0.695 1
1 273 . 10 1 1 A 32 32 GLN HA H 32 3.692 3.970 -0.278 1
1 274 . 10 1 1 A 32 32 GLN CB C 32 28.474 28.415 0.059 1
1 281 . 10 1 1 A 32 32 GLN C C 32 177.514 177.823 -0.309 1
1 284 . 10 1 1 A 33 33 LYS N N 33 117.142 118.806 -1.664 1
1 285 . 10 1 1 A 33 33 LYS H H 33 7.103 7.849 -0.746 1
1 286 . 10 1 1 A 33 33 LYS CA C 33 58.467 58.022 0.445 1
1 287 . 10 1 1 A 33 33 LYS HA H 33 4.111 4.382 -0.271 1
1 288 . 10 1 1 A 33 33 LYS CB C 33 32.225 32.395 -0.170 1
1 296 . 10 1 1 A 33 33 LYS C C 33 178.784 179.081 -0.297 1
1 301 . 10 1 1 A 34 34 ILE N N 34 116.412 115.532 0.880 1
1 302 . 10 1 1 A 34 34 ILE H H 34 7.822 7.802 0.020 1
1 303 . 10 1 1 A 34 34 ILE CA C 34 63.061 62.925 0.136 1
1 304 . 10 1 1 A 34 34 ILE HA H 34 3.975 3.853 0.122 1
1 305 . 10 1 1 A 34 34 ILE CB C 34 37.649 37.213 0.436 1
1 317 . 10 1 1 A 34 34 ILE C C 34 177.516 176.512 1.004 1
1 319 . 10 1 1 A 35 35 HIS N N 35 117.694 119.745 -2.051 1
1 320 . 10 1 1 A 35 35 HIS H H 35 7.194 7.403 -0.209 1
1 321 . 10 1 1 A 35 35 HIS CA C 35 55.301 57.324 -2.023 1
1 322 . 10 1 1 A 35 35 HIS HA H 35 4.846 4.555 0.291 1
1 323 . 10 1 1 A 35 35 HIS CB C 35 28.487 31.402 -2.915 1
1 329 . 10 1 1 A 35 35 HIS C C 35 175.812 177.457 -1.645 1
1 331 . 10 1 1 A 36 36 THR N N 36 111.822 110.197 1.625 1
1 332 . 10 1 1 A 36 36 THR H H 36 7.763 7.599 0.164 1
1 333 . 10 1 1 A 36 36 THR CA C 36 62.564 63.499 -0.935 1
1 334 . 10 1 1 A 36 36 THR HA H 36 4.350 4.107 0.243 1
1 335 . 10 1 1 A 36 36 THR CB C 36 69.813 70.019 -0.206 1
1 341 . 10 1 1 A 36 36 THR C C 36 175.513 174.750 0.763 1
1 342 . 10 1 1 A 37 37 GLY N N 37 110.617 109.723 0.894 1
1 343 . 10 1 1 A 37 37 GLY H H 37 8.212 7.358 0.854 1
1 344 . 10 1 1 A 37 37 GLY CA C 37 45.405 44.687 0.718 1
1 345 . 10 1 1 A 37 37 GLY HA3 H 37 4.024 4.047 -0.023 1
1 346 . 10 1 1 A 37 37 GLY C C 37 174.041 174.776 -0.735 1
1 347 . 10 1 1 A 37 37 GLY HA2 H 37 3.966 4.036 -0.070 1
1 348 . 10 1 1 A 38 38 GLU N N 38 120.572 121.186 -0.614 1
1 349 . 10 1 1 A 38 38 GLU H H 38 8.097 8.938 -0.841 1
1 350 . 10 1 1 A 38 38 GLU CA C 38 56.480 57.330 -0.850 1
1 351 . 10 1 1 A 38 38 GLU HA H 38 4.253 4.441 -0.188 1
1 352 . 10 1 1 A 38 38 GLU CB C 38 30.586 31.249 -0.663 1
1 356 . 10 1 1 A 38 38 GLU C C 38 176.244 176.755 -0.511 1
1 359 . 10 1 1 A 39 39 LYS N N 39 123.658 119.820 3.838 1
1 360 . 10 1 1 A 39 39 LYS H H 39 8.366 8.027 0.339 1
1 361 . 10 1 1 A 39 39 LYS CA C 39 54.084 57.254 -3.170 1
1 362 . 10 1 1 A 39 39 LYS HA H 39 4.614 3.940 0.674 1
1 363 . 10 1 1 A 39 39 LYS CB C 39 32.557 30.985 1.572 1
1 371 . 10 1 1 A 39 39 LYS C C 39 174.505 176.078 -1.573 1
1 376 . 10 1 1 A 40 40 PRO CA C 40 63.210 63.557 -0.347 1
1 377 . 10 1 1 A 40 40 PRO HA H 40 4.466 4.389 0.077 1
1 378 . 10 1 1 A 40 40 PRO CB C 40 32.186 31.511 0.675 1
1 384 . 10 1 1 A 40 40 PRO C C 40 177.000 177.062 -0.062 1
1 388 . 10 1 1 A 41 41 SER N N 41 116.449 112.413 4.036 1
1 389 . 10 1 1 A 41 41 SER H H 41 8.466 8.547 -0.081 1
1 390 . 10 1 1 A 41 41 SER CA C 41 58.350 59.002 -0.652 1
1 391 . 10 1 1 A 41 41 SER HA H 41 4.472 3.914 0.558 1
1 392 . 10 1 1 A 41 41 SER CB C 41 64.016 61.784 2.232 1
1 394 . 10 1 1 A 41 41 SER C C 41 174.682 173.753 0.929 1
1 396 . 10 1 1 A 42 42 GLY CA C 42 44.670 43.982 0.688 1
1 397 . 10 1 1 A 42 42 GLY HA3 H 42 4.165 4.094 0.071 1
1 398 . 10 1 1 A 42 42 GLY HA2 H 42 4.109 4.093 0.016 1
1 399 . 10 1 1 A 43 43 PRO CA C 43 63.265 63.890 -0.625 1
1 400 . 10 1 1 A 43 43 PRO HA H 43 4.478 4.481 -0.003 1
1 401 . 10 1 1 A 43 43 PRO CB C 43 32.223 31.690 0.533 1
1 410 . 10 1 1 A 45 45 SER CA C 45 58.389 58.504 -0.115 1
1 411 . 10 1 1 A 45 45 SER HA H 45 4.498 4.307 0.191 1
1 412 . 10 1 1 A 45 45 SER CB C 45 63.929 63.747 0.182 1
1 414 . 10 1 1 A 45 45 SER C C 45 173.909 176.037 -2.128 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.938 60.651 1.287 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.380 5.084 -0.704 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.802 71.728 -1.926 1
1 9 . 11 1 1 A 9 9 GLY N N 9 110.579 112.797 -2.218 1
1 10 . 11 1 1 A 9 9 GLY H H 9 8.211 8.666 -0.455 1
1 11 . 11 1 1 A 9 9 GLY CA C 9 45.481 45.020 0.461 1
1 12 . 11 1 1 A 9 9 GLY C C 9 174.663 173.946 0.717 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.996 4.048 -0.052 1
1 14 . 11 1 1 A 10 10 GLY N N 10 108.571 109.984 -1.413 1
1 15 . 11 1 1 A 10 10 GLY H H 10 8.251 7.931 0.320 1
1 16 . 11 1 1 A 10 10 GLY CA C 10 45.221 45.438 -0.217 1
1 17 . 11 1 1 A 10 10 GLY HA3 H 10 3.899 4.148 -0.249 1
1 18 . 11 1 1 A 10 10 GLY C C 10 173.838 173.637 0.201 1
1 19 . 11 1 1 A 10 10 GLY HA2 H 10 3.899 4.139 -0.240 1
1 20 . 11 1 1 A 11 11 LYS CA C 11 55.715 55.783 -0.068 1
1 21 . 11 1 1 A 11 11 LYS HA H 11 4.248 4.193 0.055 1
1 22 . 11 1 1 A 11 11 LYS CB C 11 32.944 31.316 1.628 1
1 30 . 11 1 1 A 11 11 LYS C C 11 175.376 175.829 -0.453 1
1 35 . 11 1 1 A 12 12 HIS N N 12 119.464 117.967 1.497 1
1 36 . 11 1 1 A 12 12 HIS H H 12 7.756 8.483 -0.727 1
1 37 . 11 1 1 A 12 12 HIS CA C 12 55.768 53.405 2.363 1
1 38 . 11 1 1 A 12 12 HIS HA H 12 4.590 5.654 -1.064 1
1 39 . 11 1 1 A 12 12 HIS CB C 12 31.837 32.821 -0.984 1
1 45 . 11 1 1 A 12 12 HIS C C 12 173.771 173.805 -0.034 1
1 47 . 11 1 1 A 13 13 PHE N N 13 121.351 120.384 0.967 1
1 48 . 11 1 1 A 13 13 PHE H H 13 8.608 9.098 -0.490 1
1 49 . 11 1 1 A 13 13 PHE CA C 13 57.043 56.904 0.139 1
1 50 . 11 1 1 A 13 13 PHE HA H 13 4.695 5.164 -0.469 1
1 51 . 11 1 1 A 13 13 PHE CB C 13 40.358 40.569 -0.211 1
1 63 . 11 1 1 A 13 13 PHE C C 13 174.660 174.978 -0.318 1
1 65 . 11 1 1 A 14 14 GLU N N 14 123.701 124.890 -1.189 1
1 66 . 11 1 1 A 14 14 GLU H H 14 8.703 9.069 -0.366 1
1 67 . 11 1 1 A 14 14 GLU CA C 14 55.192 55.386 -0.194 1
1 68 . 11 1 1 A 14 14 GLU HA H 14 4.930 5.360 -0.430 1
1 69 . 11 1 1 A 14 14 GLU CB C 14 32.782 31.491 1.291 1
1 73 . 11 1 1 A 14 14 GLU C C 14 175.204 176.593 -1.389 1
1 76 . 11 1 1 A 15 15 CYS N N 15 126.235 123.995 2.240 1
1 77 . 11 1 1 A 15 15 CYS H H 15 9.225 9.269 -0.044 1
1 78 . 11 1 1 A 15 15 CYS CA C 15 59.373 59.140 0.233 1
1 79 . 11 1 1 A 15 15 CYS HA H 15 4.675 4.702 -0.027 1
1 80 . 11 1 1 A 15 15 CYS CB C 15 29.593 29.334 0.259 1
1 82 . 11 1 1 A 15 15 CYS C C 15 177.738 176.049 1.689 1
1 84 . 11 1 1 A 16 16 THR N N 16 111.509 122.383 -10.874 1
1 85 . 11 1 1 A 16 16 THR H H 16 8.979 8.970 0.009 1
1 86 . 11 1 1 A 16 16 THR CA C 16 64.511 63.513 0.998 1
1 87 . 11 1 1 A 16 16 THR HA H 16 4.164 4.350 -0.186 1
1 88 . 11 1 1 A 16 16 THR CB C 16 68.647 69.286 -0.639 1
1 94 . 11 1 1 A 16 16 THR C C 16 175.013 175.845 -0.832 1
1 95 . 11 1 1 A 17 17 GLU N N 17 122.589 119.890 2.699 1
1 96 . 11 1 1 A 17 17 GLU H H 17 8.635 7.373 1.262 1
1 97 . 11 1 1 A 17 17 GLU CA C 17 58.162 58.411 -0.249 1
1 98 . 11 1 1 A 17 17 GLU HA H 17 4.239 4.113 0.126 1
1 99 . 11 1 1 A 17 17 GLU CB C 17 29.496 29.966 -0.470 1
1 103 . 11 1 1 A 17 17 GLU C C 17 177.246 178.043 -0.797 1
1 106 . 11 1 1 A 18 18 CYS N N 18 114.562 114.639 -0.077 1
1 107 . 11 1 1 A 18 18 CYS H H 18 7.910 8.096 -0.186 1
1 108 . 11 1 1 A 18 18 CYS CA C 18 58.391 59.536 -1.145 1
1 109 . 11 1 1 A 18 18 CYS HA H 18 5.164 4.593 0.571 1
1 110 . 11 1 1 A 18 18 CYS CB C 18 32.468 29.826 2.642 1
1 112 . 11 1 1 A 18 18 CYS C C 18 176.262 175.424 0.838 1
1 114 . 11 1 1 A 19 19 GLY N N 19 113.487 110.354 3.133 1
1 115 . 11 1 1 A 19 19 GLY H H 19 8.165 8.177 -0.012 1
1 116 . 11 1 1 A 19 19 GLY CA C 19 46.214 45.122 1.092 1
1 117 . 11 1 1 A 19 19 GLY HA3 H 19 3.886 4.091 -0.205 1
1 118 . 11 1 1 A 19 19 GLY C C 19 173.798 174.573 -0.775 1
1 119 . 11 1 1 A 19 19 GLY HA2 H 19 4.214 4.065 0.149 1
1 120 . 11 1 1 A 20 20 LYS N N 20 122.564 122.453 0.111 1
1 121 . 11 1 1 A 20 20 LYS H H 20 7.884 7.611 0.273 1
1 122 . 11 1 1 A 20 20 LYS CA C 20 57.974 55.828 2.146 1
1 123 . 11 1 1 A 20 20 LYS HA H 20 3.962 4.179 -0.217 1
1 124 . 11 1 1 A 20 20 LYS CB C 20 33.877 33.013 0.864 1
1 132 . 11 1 1 A 20 20 LYS C C 20 173.740 175.843 -2.103 1
1 137 . 11 1 1 A 21 21 ALA N N 21 123.364 128.755 -5.391 1
1 138 . 11 1 1 A 21 21 ALA H H 21 7.839 8.448 -0.609 1
1 139 . 11 1 1 A 21 21 ALA CA C 21 50.556 50.225 0.331 1
1 140 . 11 1 1 A 21 21 ALA HA H 21 4.987 5.235 -0.248 1
1 141 . 11 1 1 A 21 21 ALA CB C 21 21.924 20.638 1.286 1
1 145 . 11 1 1 A 21 21 ALA C C 21 176.349 176.304 0.045 1
1 146 . 11 1 1 A 22 22 PHE N N 22 117.458 119.579 -2.121 1
1 147 . 11 1 1 A 22 22 PHE H H 22 8.633 9.566 -0.933 1
1 148 . 11 1 1 A 22 22 PHE CA C 22 57.005 56.597 0.408 1
1 149 . 11 1 1 A 22 22 PHE HA H 22 4.855 5.170 -0.315 1
1 150 . 11 1 1 A 22 22 PHE CB C 22 43.656 42.730 0.926 1
1 162 . 11 1 1 A 22 22 PHE C C 22 175.978 176.104 -0.126 1
1 164 . 11 1 1 A 23 23 THR CA C 23 62.840 62.952 -0.112 1
1 165 . 11 1 1 A 23 23 THR HA H 23 4.615 4.645 -0.030 1
1 166 . 11 1 1 A 23 23 THR CB C 23 69.738 69.859 -0.121 1
1 172 . 11 1 1 A 23 23 THR C C 23 174.588 174.210 0.378 1
1 173 . 11 1 1 A 24 24 ARG N N 24 117.287 120.961 -3.674 1
1 174 . 11 1 1 A 24 24 ARG H H 24 7.306 7.760 -0.454 1
1 175 . 11 1 1 A 24 24 ARG CA C 24 54.452 54.590 -0.138 1
1 176 . 11 1 1 A 24 24 ARG HA H 24 4.703 4.778 -0.075 1
1 177 . 11 1 1 A 24 24 ARG CB C 24 33.863 32.917 0.946 1
1 183 . 11 1 1 A 24 24 ARG C C 24 175.439 175.995 -0.556 1
1 187 . 11 1 1 A 25 25 LYS CA C 25 59.205 59.108 0.097 1
1 188 . 11 1 1 A 25 25 LYS HA H 25 3.150 3.052 0.098 1
1 189 . 11 1 1 A 25 25 LYS CB C 25 31.728 31.254 0.474 1
1 200 . 11 1 1 A 26 26 SER CA C 26 60.817 62.188 -1.371 1
1 201 . 11 1 1 A 26 26 SER HA H 26 4.043 4.029 0.014 1
1 202 . 11 1 1 A 26 26 SER CB C 26 61.472 62.939 -1.467 1
1 204 . 11 1 1 A 26 26 SER C C 26 177.205 176.040 1.165 1
1 206 . 11 1 1 A 27 27 THR N N 27 117.923 116.868 1.055 1
1 207 . 11 1 1 A 27 27 THR H H 27 6.917 8.052 -1.135 1
1 208 . 11 1 1 A 27 27 THR CA C 27 65.095 67.072 -1.977 1
1 209 . 11 1 1 A 27 27 THR HA H 27 3.923 3.903 0.020 1
1 210 . 11 1 1 A 27 27 THR CB C 27 67.872 68.474 -0.602 1
1 216 . 11 1 1 A 27 27 THR C C 27 176.713 175.798 0.915 1
1 217 . 11 1 1 A 28 28 LEU N N 28 123.790 121.508 2.282 1
1 218 . 11 1 1 A 28 28 LEU H H 28 7.141 7.783 -0.642 1
1 219 . 11 1 1 A 28 28 LEU CA C 28 58.267 57.494 0.773 1
1 220 . 11 1 1 A 28 28 LEU HA H 28 3.229 2.882 0.347 1
1 221 . 11 1 1 A 28 28 LEU CB C 28 40.123 41.377 -1.254 1
1 233 . 11 1 1 A 28 28 LEU C C 28 177.782 177.984 -0.202 1
1 235 . 11 1 1 A 29 29 SER N N 29 114.756 114.371 0.385 1
1 236 . 11 1 1 A 29 29 SER H H 29 8.465 7.957 0.508 1
1 237 . 11 1 1 A 29 29 SER CA C 29 61.832 61.468 0.364 1
1 238 . 11 1 1 A 29 29 SER HA H 29 4.255 4.020 0.235 1
1 239 . 11 1 1 A 29 29 SER CB C 29 62.537 62.903 -0.366 1
1 241 . 11 1 1 A 29 29 SER C C 29 177.070 176.587 0.483 1
1 243 . 11 1 1 A 30 30 MET N N 30 119.297 119.286 0.011 1
1 244 . 11 1 1 A 30 30 MET H H 30 7.502 7.808 -0.306 1
1 245 . 11 1 1 A 30 30 MET CA C 30 58.202 57.675 0.527 1
1 246 . 11 1 1 A 30 30 MET HA H 30 4.154 4.316 -0.162 1
1 247 . 11 1 1 A 30 30 MET CB C 30 32.390 31.884 0.506 1
1 255 . 11 1 1 A 30 30 MET C C 30 178.561 178.429 0.132 1
1 258 . 11 1 1 A 31 31 HIS N N 31 120.247 120.542 -0.295 1
1 259 . 11 1 1 A 31 31 HIS H H 31 7.805 8.114 -0.309 1
1 260 . 11 1 1 A 31 31 HIS CA C 31 59.197 59.514 -0.317 1
1 261 . 11 1 1 A 31 31 HIS HA H 31 4.168 4.163 0.005 1
1 262 . 11 1 1 A 31 31 HIS CB C 31 28.173 29.946 -1.773 1
1 268 . 11 1 1 A 31 31 HIS C C 31 176.343 177.498 -1.155 1
1 270 . 11 1 1 A 32 32 GLN N N 32 115.288 118.550 -3.262 1
1 271 . 11 1 1 A 32 32 GLN H H 32 8.405 8.540 -0.135 1
1 272 . 11 1 1 A 32 32 GLN CA C 32 59.419 58.984 0.435 1
1 273 . 11 1 1 A 32 32 GLN HA H 32 3.692 3.846 -0.154 1
1 274 . 11 1 1 A 32 32 GLN CB C 32 28.474 28.247 0.227 1
1 281 . 11 1 1 A 32 32 GLN C C 32 177.514 178.266 -0.752 1
1 284 . 11 1 1 A 33 33 LYS N N 33 117.142 118.357 -1.215 1
1 285 . 11 1 1 A 33 33 LYS H H 33 7.103 7.734 -0.631 1
1 286 . 11 1 1 A 33 33 LYS CA C 33 58.467 58.205 0.262 1
1 287 . 11 1 1 A 33 33 LYS HA H 33 4.111 4.021 0.090 1
1 288 . 11 1 1 A 33 33 LYS CB C 33 32.225 32.288 -0.063 1
1 296 . 11 1 1 A 33 33 LYS C C 33 178.784 178.314 0.470 1
1 301 . 11 1 1 A 34 34 ILE N N 34 116.412 115.368 1.044 1
1 302 . 11 1 1 A 34 34 ILE H H 34 7.822 7.806 0.016 1
1 303 . 11 1 1 A 34 34 ILE CA C 34 63.061 63.618 -0.557 1
1 304 . 11 1 1 A 34 34 ILE HA H 34 3.975 3.857 0.118 1
1 305 . 11 1 1 A 34 34 ILE CB C 34 37.649 37.023 0.626 1
1 317 . 11 1 1 A 34 34 ILE C C 34 177.516 177.427 0.089 1
1 319 . 11 1 1 A 35 35 HIS N N 35 117.694 120.303 -2.609 1
1 320 . 11 1 1 A 35 35 HIS H H 35 7.194 7.786 -0.592 1
1 321 . 11 1 1 A 35 35 HIS CA C 35 55.301 58.749 -3.448 1
1 322 . 11 1 1 A 35 35 HIS HA H 35 4.846 4.471 0.375 1
1 323 . 11 1 1 A 35 35 HIS CB C 35 28.487 30.919 -2.432 1
1 329 . 11 1 1 A 35 35 HIS C C 35 175.812 177.715 -1.903 1
1 331 . 11 1 1 A 36 36 THR N N 36 111.822 114.806 -2.984 1
1 332 . 11 1 1 A 36 36 THR H H 36 7.763 7.571 0.192 1
1 333 . 11 1 1 A 36 36 THR CA C 36 62.564 65.237 -2.673 1
1 334 . 11 1 1 A 36 36 THR HA H 36 4.350 3.935 0.415 1
1 335 . 11 1 1 A 36 36 THR CB C 36 69.813 68.680 1.133 1
1 341 . 11 1 1 A 36 36 THR C C 36 175.513 176.739 -1.226 1
1 342 . 11 1 1 A 37 37 GLY N N 37 110.617 108.196 2.421 1
1 343 . 11 1 1 A 37 37 GLY H H 37 8.212 8.063 0.149 1
1 344 . 11 1 1 A 37 37 GLY CA C 37 45.405 47.233 -1.828 1
1 345 . 11 1 1 A 37 37 GLY HA3 H 37 4.024 3.735 0.289 1
1 346 . 11 1 1 A 37 37 GLY C C 37 174.041 175.040 -0.999 1
1 347 . 11 1 1 A 37 37 GLY HA2 H 37 3.966 3.724 0.242 1
1 348 . 11 1 1 A 38 38 GLU N N 38 120.572 118.404 2.168 1
1 349 . 11 1 1 A 38 38 GLU H H 38 8.097 7.855 0.242 1
1 350 . 11 1 1 A 38 38 GLU CA C 38 56.480 55.736 0.744 1
1 351 . 11 1 1 A 38 38 GLU HA H 38 4.253 4.471 -0.218 1
1 352 . 11 1 1 A 38 38 GLU CB C 38 30.586 30.846 -0.260 1
1 356 . 11 1 1 A 38 38 GLU C C 38 176.244 175.353 0.891 1
1 359 . 11 1 1 A 39 39 LYS N N 39 123.658 119.726 3.932 1
1 360 . 11 1 1 A 39 39 LYS H H 39 8.366 8.637 -0.271 1
1 361 . 11 1 1 A 39 39 LYS CA C 39 54.084 53.377 0.707 1
1 362 . 11 1 1 A 39 39 LYS HA H 39 4.614 4.782 -0.168 1
1 363 . 11 1 1 A 39 39 LYS CB C 39 32.557 32.691 -0.134 1
1 371 . 11 1 1 A 39 39 LYS C C 39 174.505 176.399 -1.894 1
1 376 . 11 1 1 A 40 40 PRO CA C 40 63.210 64.896 -1.686 1
1 377 . 11 1 1 A 40 40 PRO HA H 40 4.466 4.408 0.058 1
1 378 . 11 1 1 A 40 40 PRO CB C 40 32.186 32.178 0.008 1
1 384 . 11 1 1 A 40 40 PRO C C 40 177.000 176.370 0.630 1
1 388 . 11 1 1 A 41 41 SER N N 41 116.449 111.957 4.492 1
1 389 . 11 1 1 A 41 41 SER H H 41 8.466 7.640 0.826 1
1 390 . 11 1 1 A 41 41 SER CA C 41 58.350 57.039 1.311 1
1 391 . 11 1 1 A 41 41 SER HA H 41 4.472 4.777 -0.305 1
1 392 . 11 1 1 A 41 41 SER CB C 41 64.016 65.538 -1.522 1
1 394 . 11 1 1 A 41 41 SER C C 41 174.682 172.891 1.791 1
1 396 . 11 1 1 A 42 42 GLY CA C 42 44.670 44.133 0.537 1
1 397 . 11 1 1 A 42 42 GLY HA3 H 42 4.165 4.139 0.026 1
1 398 . 11 1 1 A 42 42 GLY HA2 H 42 4.109 4.138 -0.029 1
1 399 . 11 1 1 A 43 43 PRO CA C 43 63.265 62.759 0.506 1
1 400 . 11 1 1 A 43 43 PRO HA H 43 4.478 4.301 0.177 1
1 401 . 11 1 1 A 43 43 PRO CB C 43 32.223 32.684 -0.461 1
1 410 . 11 1 1 A 45 45 SER CA C 45 58.389 62.645 -4.256 1
1 411 . 11 1 1 A 45 45 SER HA H 45 4.498 4.086 0.412 1
1 412 . 11 1 1 A 45 45 SER CB C 45 63.929 62.460 1.469 1
1 414 . 11 1 1 A 45 45 SER C C 45 173.909 175.791 -1.882 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.938 64.948 -3.010 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.380 4.128 0.252 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.802 68.588 1.214 1
1 9 . 12 1 1 A 9 9 GLY N N 9 110.579 109.475 1.104 1
1 10 . 12 1 1 A 9 9 GLY H H 9 8.211 7.862 0.349 1
1 11 . 12 1 1 A 9 9 GLY CA C 9 45.481 44.988 0.493 1
1 12 . 12 1 1 A 9 9 GLY C C 9 174.663 174.856 -0.193 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.996 4.071 -0.075 1
1 14 . 12 1 1 A 10 10 GLY N N 10 108.571 112.016 -3.445 1
1 15 . 12 1 1 A 10 10 GLY H H 10 8.251 8.376 -0.125 1
1 16 . 12 1 1 A 10 10 GLY CA C 10 45.221 46.167 -0.946 1
1 17 . 12 1 1 A 10 10 GLY HA3 H 10 3.899 4.133 -0.234 1
1 18 . 12 1 1 A 10 10 GLY C C 10 173.838 174.804 -0.966 1
1 19 . 12 1 1 A 10 10 GLY HA2 H 10 3.899 4.093 -0.194 1
1 20 . 12 1 1 A 11 11 LYS CA C 11 55.715 55.569 0.146 1
1 21 . 12 1 1 A 11 11 LYS HA H 11 4.248 4.316 -0.068 1
1 22 . 12 1 1 A 11 11 LYS CB C 11 32.944 31.558 1.386 1
1 30 . 12 1 1 A 11 11 LYS C C 11 175.376 175.638 -0.262 1
1 35 . 12 1 1 A 12 12 HIS N N 12 119.464 116.586 2.878 1
1 36 . 12 1 1 A 12 12 HIS H H 12 7.756 7.498 0.258 1
1 37 . 12 1 1 A 12 12 HIS CA C 12 55.768 54.943 0.825 1
1 38 . 12 1 1 A 12 12 HIS HA H 12 4.590 5.490 -0.900 1
1 39 . 12 1 1 A 12 12 HIS CB C 12 31.837 31.032 0.805 1
1 45 . 12 1 1 A 12 12 HIS C C 12 173.771 174.486 -0.715 1
1 47 . 12 1 1 A 13 13 PHE N N 13 121.351 121.597 -0.246 1
1 48 . 12 1 1 A 13 13 PHE H H 13 8.608 9.353 -0.745 1
1 49 . 12 1 1 A 13 13 PHE CA C 13 57.043 56.953 0.090 1
1 50 . 12 1 1 A 13 13 PHE HA H 13 4.695 4.972 -0.277 1
1 51 . 12 1 1 A 13 13 PHE CB C 13 40.358 40.887 -0.529 1
1 63 . 12 1 1 A 13 13 PHE C C 13 174.660 174.914 -0.254 1
1 65 . 12 1 1 A 14 14 GLU N N 14 123.701 124.073 -0.372 1
1 66 . 12 1 1 A 14 14 GLU H H 14 8.703 8.972 -0.269 1
1 67 . 12 1 1 A 14 14 GLU CA C 14 55.192 55.062 0.130 1
1 68 . 12 1 1 A 14 14 GLU HA H 14 4.930 5.449 -0.519 1
1 69 . 12 1 1 A 14 14 GLU CB C 14 32.782 31.878 0.904 1
1 73 . 12 1 1 A 14 14 GLU C C 14 175.204 176.409 -1.205 1
1 76 . 12 1 1 A 15 15 CYS N N 15 126.235 125.419 0.816 1
1 77 . 12 1 1 A 15 15 CYS H H 15 9.225 9.074 0.151 1
1 78 . 12 1 1 A 15 15 CYS CA C 15 59.373 59.302 0.071 1
1 79 . 12 1 1 A 15 15 CYS HA H 15 4.675 4.694 -0.019 1
1 80 . 12 1 1 A 15 15 CYS CB C 15 29.593 28.502 1.091 1
1 82 . 12 1 1 A 15 15 CYS C C 15 177.738 176.383 1.355 1
1 84 . 12 1 1 A 16 16 THR N N 16 111.509 121.350 -9.841 1
1 85 . 12 1 1 A 16 16 THR H H 16 8.979 8.585 0.394 1
1 86 . 12 1 1 A 16 16 THR CA C 16 64.511 65.407 -0.896 1
1 87 . 12 1 1 A 16 16 THR HA H 16 4.164 4.136 0.028 1
1 88 . 12 1 1 A 16 16 THR CB C 16 68.647 68.809 -0.162 1
1 94 . 12 1 1 A 16 16 THR C C 16 175.013 176.322 -1.309 1
1 95 . 12 1 1 A 17 17 GLU N N 17 122.589 119.977 2.612 1
1 96 . 12 1 1 A 17 17 GLU H H 17 8.635 7.637 0.998 1
1 97 . 12 1 1 A 17 17 GLU CA C 17 58.162 58.898 -0.736 1
1 98 . 12 1 1 A 17 17 GLU HA H 17 4.239 3.987 0.252 1
1 99 . 12 1 1 A 17 17 GLU CB C 17 29.496 29.329 0.167 1
1 103 . 12 1 1 A 17 17 GLU C C 17 177.246 178.183 -0.937 1
1 106 . 12 1 1 A 18 18 CYS N N 18 114.562 114.445 0.117 1
1 107 . 12 1 1 A 18 18 CYS H H 18 7.910 7.647 0.263 1
1 108 . 12 1 1 A 18 18 CYS CA C 18 58.391 59.681 -1.290 1
1 109 . 12 1 1 A 18 18 CYS HA H 18 5.164 4.547 0.617 1
1 110 . 12 1 1 A 18 18 CYS CB C 18 32.468 29.499 2.969 1
1 112 . 12 1 1 A 18 18 CYS C C 18 176.262 175.191 1.071 1
1 114 . 12 1 1 A 19 19 GLY N N 19 113.487 110.283 3.204 1
1 115 . 12 1 1 A 19 19 GLY H H 19 8.165 7.981 0.184 1
1 116 . 12 1 1 A 19 19 GLY CA C 19 46.214 45.130 1.084 1
1 117 . 12 1 1 A 19 19 GLY HA3 H 19 3.886 4.087 -0.201 1
1 118 . 12 1 1 A 19 19 GLY C C 19 173.798 174.600 -0.802 1
1 119 . 12 1 1 A 19 19 GLY HA2 H 19 4.214 4.065 0.149 1
1 120 . 12 1 1 A 20 20 LYS N N 20 122.564 122.440 0.124 1
1 121 . 12 1 1 A 20 20 LYS H H 20 7.884 7.666 0.218 1
1 122 . 12 1 1 A 20 20 LYS CA C 20 57.974 55.831 2.143 1
1 123 . 12 1 1 A 20 20 LYS HA H 20 3.962 4.233 -0.271 1
1 124 . 12 1 1 A 20 20 LYS CB C 20 33.877 32.981 0.896 1
1 132 . 12 1 1 A 20 20 LYS C C 20 173.740 175.869 -2.129 1
1 137 . 12 1 1 A 21 21 ALA N N 21 123.364 128.849 -5.485 1
1 138 . 12 1 1 A 21 21 ALA H H 21 7.839 8.537 -0.698 1
1 139 . 12 1 1 A 21 21 ALA CA C 21 50.556 50.407 0.149 1
1 140 . 12 1 1 A 21 21 ALA HA H 21 4.987 5.288 -0.301 1
1 141 . 12 1 1 A 21 21 ALA CB C 21 21.924 20.174 1.750 1
1 145 . 12 1 1 A 21 21 ALA C C 21 176.349 176.565 -0.216 1
1 146 . 12 1 1 A 22 22 PHE N N 22 117.458 120.357 -2.899 1
1 147 . 12 1 1 A 22 22 PHE H H 22 8.633 9.639 -1.006 1
1 148 . 12 1 1 A 22 22 PHE CA C 22 57.005 56.279 0.726 1
1 149 . 12 1 1 A 22 22 PHE HA H 22 4.855 5.106 -0.251 1
1 150 . 12 1 1 A 22 22 PHE CB C 22 43.656 41.839 1.817 1
1 162 . 12 1 1 A 22 22 PHE C C 22 175.978 176.401 -0.423 1
1 164 . 12 1 1 A 23 23 THR CA C 23 62.840 62.939 -0.099 1
1 165 . 12 1 1 A 23 23 THR HA H 23 4.615 4.620 -0.005 1
1 166 . 12 1 1 A 23 23 THR CB C 23 69.738 69.767 -0.029 1
1 172 . 12 1 1 A 23 23 THR C C 23 174.588 174.101 0.487 1
1 173 . 12 1 1 A 24 24 ARG N N 24 117.287 120.732 -3.445 1
1 174 . 12 1 1 A 24 24 ARG H H 24 7.306 7.603 -0.297 1
1 175 . 12 1 1 A 24 24 ARG CA C 24 54.452 54.459 -0.007 1
1 176 . 12 1 1 A 24 24 ARG HA H 24 4.703 4.745 -0.042 1
1 177 . 12 1 1 A 24 24 ARG CB C 24 33.863 33.148 0.715 1
1 183 . 12 1 1 A 24 24 ARG C C 24 175.439 175.992 -0.553 1
1 187 . 12 1 1 A 25 25 LYS CA C 25 59.205 59.032 0.173 1
1 188 . 12 1 1 A 25 25 LYS HA H 25 3.150 3.172 -0.022 1
1 189 . 12 1 1 A 25 25 LYS CB C 25 31.728 31.753 -0.025 1
1 200 . 12 1 1 A 26 26 SER CA C 26 60.817 62.474 -1.657 1
1 201 . 12 1 1 A 26 26 SER HA H 26 4.043 4.069 -0.026 1
1 202 . 12 1 1 A 26 26 SER CB C 26 61.472 62.833 -1.361 1
1 204 . 12 1 1 A 26 26 SER C C 26 177.205 176.107 1.098 1
1 206 . 12 1 1 A 27 27 THR N N 27 117.923 118.117 -0.194 1
1 207 . 12 1 1 A 27 27 THR H H 27 6.917 7.807 -0.890 1
1 208 . 12 1 1 A 27 27 THR CA C 27 65.095 67.124 -2.029 1
1 209 . 12 1 1 A 27 27 THR HA H 27 3.923 3.897 0.026 1
1 210 . 12 1 1 A 27 27 THR CB C 27 67.872 68.701 -0.829 1
1 216 . 12 1 1 A 27 27 THR C C 27 176.713 176.044 0.669 1
1 217 . 12 1 1 A 28 28 LEU N N 28 123.790 121.434 2.356 1
1 218 . 12 1 1 A 28 28 LEU H H 28 7.141 7.834 -0.693 1
1 219 . 12 1 1 A 28 28 LEU CA C 28 58.267 57.488 0.779 1
1 220 . 12 1 1 A 28 28 LEU HA H 28 3.229 2.965 0.264 1
1 221 . 12 1 1 A 28 28 LEU CB C 28 40.123 41.327 -1.204 1
1 233 . 12 1 1 A 28 28 LEU C C 28 177.782 178.368 -0.586 1
1 235 . 12 1 1 A 29 29 SER N N 29 114.756 115.188 -0.432 1
1 236 . 12 1 1 A 29 29 SER H H 29 8.465 7.672 0.793 1
1 237 . 12 1 1 A 29 29 SER CA C 29 61.832 61.974 -0.142 1
1 238 . 12 1 1 A 29 29 SER HA H 29 4.255 4.028 0.227 1
1 239 . 12 1 1 A 29 29 SER CB C 29 62.537 62.698 -0.161 1
1 241 . 12 1 1 A 29 29 SER C C 29 177.070 176.728 0.342 1
1 243 . 12 1 1 A 30 30 MET N N 30 119.297 119.899 -0.602 1
1 244 . 12 1 1 A 30 30 MET H H 30 7.502 7.553 -0.051 1
1 245 . 12 1 1 A 30 30 MET CA C 30 58.202 57.944 0.258 1
1 246 . 12 1 1 A 30 30 MET HA H 30 4.154 4.257 -0.103 1
1 247 . 12 1 1 A 30 30 MET CB C 30 32.390 31.993 0.397 1
1 255 . 12 1 1 A 30 30 MET C C 30 178.561 178.335 0.226 1
1 258 . 12 1 1 A 31 31 HIS N N 31 120.247 120.213 0.034 1
1 259 . 12 1 1 A 31 31 HIS H H 31 7.805 8.108 -0.303 1
1 260 . 12 1 1 A 31 31 HIS CA C 31 59.197 59.734 -0.537 1
1 261 . 12 1 1 A 31 31 HIS HA H 31 4.168 4.176 -0.008 1
1 262 . 12 1 1 A 31 31 HIS CB C 31 28.173 29.908 -1.735 1
1 268 . 12 1 1 A 31 31 HIS C C 31 176.343 177.650 -1.307 1
1 270 . 12 1 1 A 32 32 GLN N N 32 115.288 118.611 -3.323 1
1 271 . 12 1 1 A 32 32 GLN H H 32 8.405 8.650 -0.245 1
1 272 . 12 1 1 A 32 32 GLN CA C 32 59.419 58.716 0.703 1
1 273 . 12 1 1 A 32 32 GLN HA H 32 3.692 3.965 -0.273 1
1 274 . 12 1 1 A 32 32 GLN CB C 32 28.474 28.449 0.025 1
1 281 . 12 1 1 A 32 32 GLN C C 32 177.514 177.811 -0.297 1
1 284 . 12 1 1 A 33 33 LYS N N 33 117.142 118.777 -1.635 1
1 285 . 12 1 1 A 33 33 LYS H H 33 7.103 7.858 -0.755 1
1 286 . 12 1 1 A 33 33 LYS CA C 33 58.467 57.897 0.570 1
1 287 . 12 1 1 A 33 33 LYS HA H 33 4.111 4.383 -0.272 1
1 288 . 12 1 1 A 33 33 LYS CB C 33 32.225 32.290 -0.065 1
1 296 . 12 1 1 A 33 33 LYS C C 33 178.784 178.449 0.335 1
1 301 . 12 1 1 A 34 34 ILE N N 34 116.412 114.591 1.821 1
1 302 . 12 1 1 A 34 34 ILE H H 34 7.822 7.924 -0.102 1
1 303 . 12 1 1 A 34 34 ILE CA C 34 63.061 62.999 0.062 1
1 304 . 12 1 1 A 34 34 ILE HA H 34 3.975 3.903 0.072 1
1 305 . 12 1 1 A 34 34 ILE CB C 34 37.649 37.228 0.421 1
1 317 . 12 1 1 A 34 34 ILE C C 34 177.516 176.311 1.205 1
1 319 . 12 1 1 A 35 35 HIS N N 35 117.694 119.469 -1.775 1
1 320 . 12 1 1 A 35 35 HIS H H 35 7.194 7.838 -0.644 1
1 321 . 12 1 1 A 35 35 HIS CA C 35 55.301 56.993 -1.692 1
1 322 . 12 1 1 A 35 35 HIS HA H 35 4.846 4.623 0.223 1
1 323 . 12 1 1 A 35 35 HIS CB C 35 28.487 31.573 -3.086 1
1 329 . 12 1 1 A 35 35 HIS C C 35 175.812 175.972 -0.160 1
1 331 . 12 1 1 A 36 36 THR N N 36 111.822 110.344 1.478 1
1 332 . 12 1 1 A 36 36 THR H H 36 7.763 7.368 0.395 1
1 333 . 12 1 1 A 36 36 THR CA C 36 62.564 62.210 0.354 1
1 334 . 12 1 1 A 36 36 THR HA H 36 4.350 4.302 0.048 1
1 335 . 12 1 1 A 36 36 THR CB C 36 69.813 69.131 0.682 1
1 341 . 12 1 1 A 36 36 THR C C 36 175.513 175.257 0.256 1
1 342 . 12 1 1 A 37 37 GLY N N 37 110.617 109.152 1.465 1
1 343 . 12 1 1 A 37 37 GLY H H 37 8.212 7.909 0.303 1
1 344 . 12 1 1 A 37 37 GLY CA C 37 45.405 46.237 -0.832 1
1 345 . 12 1 1 A 37 37 GLY HA3 H 37 4.024 4.036 -0.012 1
1 346 . 12 1 1 A 37 37 GLY C C 37 174.041 172.872 1.169 1
1 347 . 12 1 1 A 37 37 GLY HA2 H 37 3.966 4.024 -0.058 1
1 348 . 12 1 1 A 38 38 GLU N N 38 120.572 122.363 -1.791 1
1 349 . 12 1 1 A 38 38 GLU H H 38 8.097 7.929 0.168 1
1 350 . 12 1 1 A 38 38 GLU CA C 38 56.480 55.111 1.369 1
1 351 . 12 1 1 A 38 38 GLU HA H 38 4.253 4.820 -0.567 1
1 352 . 12 1 1 A 38 38 GLU CB C 38 30.586 33.921 -3.335 1
1 356 . 12 1 1 A 38 38 GLU C C 38 176.244 174.255 1.989 1
1 359 . 12 1 1 A 39 39 LYS N N 39 123.658 121.556 2.102 1
1 360 . 12 1 1 A 39 39 LYS H H 39 8.366 8.297 0.069 1
1 361 . 12 1 1 A 39 39 LYS CA C 39 54.084 55.075 -0.991 1
1 362 . 12 1 1 A 39 39 LYS HA H 39 4.614 4.385 0.229 1
1 363 . 12 1 1 A 39 39 LYS CB C 39 32.557 32.502 0.055 1
1 371 . 12 1 1 A 39 39 LYS C C 39 174.505 175.765 -1.260 1
1 376 . 12 1 1 A 40 40 PRO CA C 40 63.210 62.815 0.395 1
1 377 . 12 1 1 A 40 40 PRO HA H 40 4.466 4.775 -0.309 1
1 378 . 12 1 1 A 40 40 PRO CB C 40 32.186 33.066 -0.880 1
1 384 . 12 1 1 A 40 40 PRO C C 40 177.000 175.587 1.413 1
1 388 . 12 1 1 A 41 41 SER N N 41 116.449 115.690 0.759 1
1 389 . 12 1 1 A 41 41 SER H H 41 8.466 8.508 -0.042 1
1 390 . 12 1 1 A 41 41 SER CA C 41 58.350 57.962 0.388 1
1 391 . 12 1 1 A 41 41 SER HA H 41 4.472 5.162 -0.690 1
1 392 . 12 1 1 A 41 41 SER CB C 41 64.016 66.984 -2.968 1
1 394 . 12 1 1 A 41 41 SER C C 41 174.682 173.447 1.235 1
1 396 . 12 1 1 A 42 42 GLY CA C 42 44.670 46.129 -1.459 1
1 397 . 12 1 1 A 42 42 GLY HA3 H 42 4.165 4.230 -0.065 1
1 398 . 12 1 1 A 42 42 GLY HA2 H 42 4.109 4.230 -0.121 1
1 399 . 12 1 1 A 43 43 PRO CA C 43 63.265 62.721 0.544 1
1 400 . 12 1 1 A 43 43 PRO HA H 43 4.478 4.661 -0.183 1
1 401 . 12 1 1 A 43 43 PRO CB C 43 32.223 32.051 0.172 1
1 410 . 12 1 1 A 45 45 SER CA C 45 58.389 57.318 1.071 1
1 411 . 12 1 1 A 45 45 SER HA H 45 4.498 4.898 -0.400 1
1 412 . 12 1 1 A 45 45 SER CB C 45 63.929 62.949 0.980 1
1 414 . 12 1 1 A 45 45 SER C C 45 173.909 174.444 -0.535 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.938 61.000 0.938 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.380 4.603 -0.223 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.802 69.368 0.434 1
1 9 . 13 1 1 A 9 9 GLY N N 9 110.579 112.049 -1.470 1
1 10 . 13 1 1 A 9 9 GLY H H 9 8.211 8.254 -0.043 1
1 11 . 13 1 1 A 9 9 GLY CA C 9 45.481 44.790 0.691 1
1 12 . 13 1 1 A 9 9 GLY C C 9 174.663 174.367 0.296 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.996 4.059 -0.063 1
1 14 . 13 1 1 A 10 10 GLY N N 10 108.571 110.172 -1.601 1
1 15 . 13 1 1 A 10 10 GLY H H 10 8.251 8.706 -0.455 1
1 16 . 13 1 1 A 10 10 GLY CA C 10 45.221 45.096 0.125 1
1 17 . 13 1 1 A 10 10 GLY HA3 H 10 3.899 3.996 -0.097 1
1 18 . 13 1 1 A 10 10 GLY C C 10 173.838 173.240 0.598 1
1 19 . 13 1 1 A 10 10 GLY HA2 H 10 3.899 3.984 -0.085 1
1 20 . 13 1 1 A 11 11 LYS CA C 11 55.715 55.359 0.356 1
1 21 . 13 1 1 A 11 11 LYS HA H 11 4.248 4.631 -0.383 1
1 22 . 13 1 1 A 11 11 LYS CB C 11 32.944 32.709 0.235 1
1 30 . 13 1 1 A 11 11 LYS C C 11 175.376 175.871 -0.495 1
1 35 . 13 1 1 A 12 12 HIS N N 12 119.464 121.657 -2.193 1
1 36 . 13 1 1 A 12 12 HIS H H 12 7.756 8.819 -1.063 1
1 37 . 13 1 1 A 12 12 HIS CA C 12 55.768 54.081 1.687 1
1 38 . 13 1 1 A 12 12 HIS HA H 12 4.590 5.577 -0.987 1
1 39 . 13 1 1 A 12 12 HIS CB C 12 31.837 31.579 0.258 1
1 45 . 13 1 1 A 12 12 HIS C C 12 173.771 174.316 -0.545 1
1 47 . 13 1 1 A 13 13 PHE N N 13 121.351 120.450 0.901 1
1 48 . 13 1 1 A 13 13 PHE H H 13 8.608 9.145 -0.537 1
1 49 . 13 1 1 A 13 13 PHE CA C 13 57.043 56.556 0.487 1
1 50 . 13 1 1 A 13 13 PHE HA H 13 4.695 4.973 -0.278 1
1 51 . 13 1 1 A 13 13 PHE CB C 13 40.358 41.225 -0.867 1
1 63 . 13 1 1 A 13 13 PHE C C 13 174.660 174.835 -0.175 1
1 65 . 13 1 1 A 14 14 GLU N N 14 123.701 123.096 0.605 1
1 66 . 13 1 1 A 14 14 GLU H H 14 8.703 9.014 -0.311 1
1 67 . 13 1 1 A 14 14 GLU CA C 14 55.192 54.714 0.478 1
1 68 . 13 1 1 A 14 14 GLU HA H 14 4.930 5.488 -0.558 1
1 69 . 13 1 1 A 14 14 GLU CB C 14 32.782 32.960 -0.178 1
1 73 . 13 1 1 A 14 14 GLU C C 14 175.204 176.273 -1.069 1
1 76 . 13 1 1 A 15 15 CYS N N 15 126.235 125.552 0.683 1
1 77 . 13 1 1 A 15 15 CYS H H 15 9.225 9.427 -0.202 1
1 78 . 13 1 1 A 15 15 CYS CA C 15 59.373 60.274 -0.901 1
1 79 . 13 1 1 A 15 15 CYS HA H 15 4.675 4.657 0.018 1
1 80 . 13 1 1 A 15 15 CYS CB C 15 29.593 28.596 0.997 1
1 82 . 13 1 1 A 15 15 CYS C C 15 177.738 176.059 1.679 1
1 84 . 13 1 1 A 16 16 THR N N 16 111.509 121.789 -10.280 1
1 85 . 13 1 1 A 16 16 THR H H 16 8.979 8.812 0.167 1
1 86 . 13 1 1 A 16 16 THR CA C 16 64.511 62.263 2.248 1
1 87 . 13 1 1 A 16 16 THR HA H 16 4.164 4.493 -0.329 1
1 88 . 13 1 1 A 16 16 THR CB C 16 68.647 68.365 0.282 1
1 94 . 13 1 1 A 16 16 THR C C 16 175.013 174.723 0.290 1
1 95 . 13 1 1 A 17 17 GLU N N 17 122.589 120.433 2.156 1
1 96 . 13 1 1 A 17 17 GLU H H 17 8.635 7.960 0.675 1
1 97 . 13 1 1 A 17 17 GLU CA C 17 58.162 57.040 1.122 1
1 98 . 13 1 1 A 17 17 GLU HA H 17 4.239 4.397 -0.158 1
1 99 . 13 1 1 A 17 17 GLU CB C 17 29.496 31.185 -1.689 1
1 103 . 13 1 1 A 17 17 GLU C C 17 177.246 177.645 -0.399 1
1 106 . 13 1 1 A 18 18 CYS N N 18 114.562 114.622 -0.060 1
1 107 . 13 1 1 A 18 18 CYS H H 18 7.910 8.000 -0.090 1
1 108 . 13 1 1 A 18 18 CYS CA C 18 58.391 59.489 -1.098 1
1 109 . 13 1 1 A 18 18 CYS HA H 18 5.164 4.607 0.557 1
1 110 . 13 1 1 A 18 18 CYS CB C 18 32.468 29.803 2.665 1
1 112 . 13 1 1 A 18 18 CYS C C 18 176.262 175.409 0.853 1
1 114 . 13 1 1 A 19 19 GLY N N 19 113.487 110.278 3.209 1
1 115 . 13 1 1 A 19 19 GLY H H 19 8.165 8.251 -0.086 1
1 116 . 13 1 1 A 19 19 GLY CA C 19 46.214 45.264 0.950 1
1 117 . 13 1 1 A 19 19 GLY HA3 H 19 3.886 4.071 -0.185 1
1 118 . 13 1 1 A 19 19 GLY C C 19 173.798 174.613 -0.815 1
1 119 . 13 1 1 A 19 19 GLY HA2 H 19 4.214 4.049 0.165 1
1 120 . 13 1 1 A 20 20 LYS N N 20 122.564 122.213 0.351 1
1 121 . 13 1 1 A 20 20 LYS H H 20 7.884 7.607 0.277 1
1 122 . 13 1 1 A 20 20 LYS CA C 20 57.974 55.738 2.236 1
1 123 . 13 1 1 A 20 20 LYS HA H 20 3.962 4.286 -0.324 1
1 124 . 13 1 1 A 20 20 LYS CB C 20 33.877 33.400 0.477 1
1 132 . 13 1 1 A 20 20 LYS C C 20 173.740 175.853 -2.113 1
1 137 . 13 1 1 A 21 21 ALA N N 21 123.364 128.715 -5.351 1
1 138 . 13 1 1 A 21 21 ALA H H 21 7.839 8.534 -0.695 1
1 139 . 13 1 1 A 21 21 ALA CA C 21 50.556 50.363 0.193 1
1 140 . 13 1 1 A 21 21 ALA HA H 21 4.987 5.596 -0.609 1
1 141 . 13 1 1 A 21 21 ALA CB C 21 21.924 20.961 0.963 1
1 145 . 13 1 1 A 21 21 ALA C C 21 176.349 176.231 0.118 1
1 146 . 13 1 1 A 22 22 PHE N N 22 117.458 119.105 -1.647 1
1 147 . 13 1 1 A 22 22 PHE H H 22 8.633 9.652 -1.019 1
1 148 . 13 1 1 A 22 22 PHE CA C 22 57.005 56.581 0.424 1
1 149 . 13 1 1 A 22 22 PHE HA H 22 4.855 5.115 -0.260 1
1 150 . 13 1 1 A 22 22 PHE CB C 22 43.656 41.800 1.856 1
1 162 . 13 1 1 A 22 22 PHE C C 22 175.978 176.185 -0.207 1
1 164 . 13 1 1 A 23 23 THR CA C 23 62.840 63.117 -0.277 1
1 165 . 13 1 1 A 23 23 THR HA H 23 4.615 4.663 -0.048 1
1 166 . 13 1 1 A 23 23 THR CB C 23 69.738 69.132 0.606 1
1 172 . 13 1 1 A 23 23 THR C C 23 174.588 174.283 0.305 1
1 173 . 13 1 1 A 24 24 ARG N N 24 117.287 120.976 -3.689 1
1 174 . 13 1 1 A 24 24 ARG H H 24 7.306 7.649 -0.343 1
1 175 . 13 1 1 A 24 24 ARG CA C 24 54.452 54.297 0.155 1
1 176 . 13 1 1 A 24 24 ARG HA H 24 4.703 4.650 0.053 1
1 177 . 13 1 1 A 24 24 ARG CB C 24 33.863 32.297 1.566 1
1 183 . 13 1 1 A 24 24 ARG C C 24 175.439 175.881 -0.442 1
1 187 . 13 1 1 A 25 25 LYS CA C 25 59.205 59.082 0.123 1
1 188 . 13 1 1 A 25 25 LYS HA H 25 3.150 3.263 -0.113 1
1 189 . 13 1 1 A 25 25 LYS CB C 25 31.728 31.730 -0.002 1
1 200 . 13 1 1 A 26 26 SER CA C 26 60.817 62.417 -1.600 1
1 201 . 13 1 1 A 26 26 SER HA H 26 4.043 4.056 -0.013 1
1 202 . 13 1 1 A 26 26 SER CB C 26 61.472 62.973 -1.501 1
1 204 . 13 1 1 A 26 26 SER C C 26 177.205 175.959 1.246 1
1 206 . 13 1 1 A 27 27 THR N N 27 117.923 117.594 0.329 1
1 207 . 13 1 1 A 27 27 THR H H 27 6.917 7.861 -0.944 1
1 208 . 13 1 1 A 27 27 THR CA C 27 65.095 67.282 -2.187 1
1 209 . 13 1 1 A 27 27 THR HA H 27 3.923 3.922 0.001 1
1 210 . 13 1 1 A 27 27 THR CB C 27 67.872 68.714 -0.842 1
1 216 . 13 1 1 A 27 27 THR C C 27 176.713 175.962 0.751 1
1 217 . 13 1 1 A 28 28 LEU N N 28 123.790 121.132 2.658 1
1 218 . 13 1 1 A 28 28 LEU H H 28 7.141 7.907 -0.766 1
1 219 . 13 1 1 A 28 28 LEU CA C 28 58.267 57.415 0.852 1
1 220 . 13 1 1 A 28 28 LEU HA H 28 3.229 2.829 0.400 1
1 221 . 13 1 1 A 28 28 LEU CB C 28 40.123 40.990 -0.867 1
1 233 . 13 1 1 A 28 28 LEU C C 28 177.782 178.221 -0.439 1
1 235 . 13 1 1 A 29 29 SER N N 29 114.756 114.176 0.580 1
1 236 . 13 1 1 A 29 29 SER H H 29 8.465 7.747 0.718 1
1 237 . 13 1 1 A 29 29 SER CA C 29 61.832 61.455 0.377 1
1 238 . 13 1 1 A 29 29 SER HA H 29 4.255 3.976 0.279 1
1 239 . 13 1 1 A 29 29 SER CB C 29 62.537 62.922 -0.385 1
1 241 . 13 1 1 A 29 29 SER C C 29 177.070 176.714 0.356 1
1 243 . 13 1 1 A 30 30 MET N N 30 119.297 119.294 0.003 1
1 244 . 13 1 1 A 30 30 MET H H 30 7.502 7.811 -0.309 1
1 245 . 13 1 1 A 30 30 MET CA C 30 58.202 57.937 0.265 1
1 246 . 13 1 1 A 30 30 MET HA H 30 4.154 4.282 -0.128 1
1 247 . 13 1 1 A 30 30 MET CB C 30 32.390 31.917 0.473 1
1 255 . 13 1 1 A 30 30 MET C C 30 178.561 178.349 0.212 1
1 258 . 13 1 1 A 31 31 HIS N N 31 120.247 120.293 -0.046 1
1 259 . 13 1 1 A 31 31 HIS H H 31 7.805 7.941 -0.136 1
1 260 . 13 1 1 A 31 31 HIS CA C 31 59.197 59.708 -0.511 1
1 261 . 13 1 1 A 31 31 HIS HA H 31 4.168 4.147 0.021 1
1 262 . 13 1 1 A 31 31 HIS CB C 31 28.173 29.777 -1.604 1
1 268 . 13 1 1 A 31 31 HIS C C 31 176.343 177.502 -1.159 1
1 270 . 13 1 1 A 32 32 GLN N N 32 115.288 118.171 -2.883 1
1 271 . 13 1 1 A 32 32 GLN H H 32 8.405 8.524 -0.119 1
1 272 . 13 1 1 A 32 32 GLN CA C 32 59.419 58.714 0.705 1
1 273 . 13 1 1 A 32 32 GLN HA H 32 3.692 3.976 -0.284 1
1 274 . 13 1 1 A 32 32 GLN CB C 32 28.474 28.273 0.201 1
1 281 . 13 1 1 A 32 32 GLN C C 32 177.514 177.780 -0.266 1
1 284 . 13 1 1 A 33 33 LYS N N 33 117.142 118.639 -1.497 1
1 285 . 13 1 1 A 33 33 LYS H H 33 7.103 7.838 -0.735 1
1 286 . 13 1 1 A 33 33 LYS CA C 33 58.467 58.007 0.460 1
1 287 . 13 1 1 A 33 33 LYS HA H 33 4.111 4.385 -0.274 1
1 288 . 13 1 1 A 33 33 LYS CB C 33 32.225 32.221 0.004 1
1 296 . 13 1 1 A 33 33 LYS C C 33 178.784 178.210 0.574 1
1 301 . 13 1 1 A 34 34 ILE N N 34 116.412 114.590 1.822 1
1 302 . 13 1 1 A 34 34 ILE H H 34 7.822 7.902 -0.080 1
1 303 . 13 1 1 A 34 34 ILE CA C 34 63.061 63.154 -0.093 1
1 304 . 13 1 1 A 34 34 ILE HA H 34 3.975 3.870 0.105 1
1 305 . 13 1 1 A 34 34 ILE CB C 34 37.649 37.172 0.477 1
1 317 . 13 1 1 A 34 34 ILE C C 34 177.516 176.381 1.135 1
1 319 . 13 1 1 A 35 35 HIS N N 35 117.694 119.210 -1.516 1
1 320 . 13 1 1 A 35 35 HIS H H 35 7.194 7.641 -0.447 1
1 321 . 13 1 1 A 35 35 HIS CA C 35 55.301 56.992 -1.691 1
1 322 . 13 1 1 A 35 35 HIS HA H 35 4.846 4.607 0.239 1
1 323 . 13 1 1 A 35 35 HIS CB C 35 28.487 31.620 -3.133 1
1 329 . 13 1 1 A 35 35 HIS C C 35 175.812 176.405 -0.593 1
1 331 . 13 1 1 A 36 36 THR N N 36 111.822 108.205 3.617 1
1 332 . 13 1 1 A 36 36 THR H H 36 7.763 7.378 0.385 1
1 333 . 13 1 1 A 36 36 THR CA C 36 62.564 62.122 0.442 1
1 334 . 13 1 1 A 36 36 THR HA H 36 4.350 4.307 0.043 1
1 335 . 13 1 1 A 36 36 THR CB C 36 69.813 69.077 0.736 1
1 341 . 13 1 1 A 36 36 THR C C 36 175.513 175.278 0.235 1
1 342 . 13 1 1 A 37 37 GLY N N 37 110.617 110.924 -0.307 1
1 343 . 13 1 1 A 37 37 GLY H H 37 8.212 8.227 -0.015 1
1 344 . 13 1 1 A 37 37 GLY CA C 37 45.405 45.758 -0.353 1
1 345 . 13 1 1 A 37 37 GLY HA3 H 37 4.024 4.006 0.018 1
1 346 . 13 1 1 A 37 37 GLY C C 37 174.041 174.508 -0.467 1
1 347 . 13 1 1 A 37 37 GLY HA2 H 37 3.966 4.006 -0.040 1
1 348 . 13 1 1 A 38 38 GLU N N 38 120.572 122.852 -2.280 1
1 349 . 13 1 1 A 38 38 GLU H H 38 8.097 8.810 -0.713 1
1 350 . 13 1 1 A 38 38 GLU CA C 38 56.480 58.174 -1.694 1
1 351 . 13 1 1 A 38 38 GLU HA H 38 4.253 4.444 -0.191 1
1 352 . 13 1 1 A 38 38 GLU CB C 38 30.586 30.758 -0.172 1
1 356 . 13 1 1 A 38 38 GLU C C 38 176.244 176.836 -0.592 1
1 359 . 13 1 1 A 39 39 LYS N N 39 123.658 119.099 4.559 1
1 360 . 13 1 1 A 39 39 LYS H H 39 8.366 7.876 0.490 1
1 361 . 13 1 1 A 39 39 LYS CA C 39 54.084 52.818 1.266 1
1 362 . 13 1 1 A 39 39 LYS HA H 39 4.614 4.594 0.020 1
1 363 . 13 1 1 A 39 39 LYS CB C 39 32.557 33.259 -0.702 1
1 371 . 13 1 1 A 39 39 LYS C C 39 174.505 175.164 -0.659 1
1 376 . 13 1 1 A 40 40 PRO CA C 40 63.210 64.474 -1.264 1
1 377 . 13 1 1 A 40 40 PRO HA H 40 4.466 4.516 -0.050 1
1 378 . 13 1 1 A 40 40 PRO CB C 40 32.186 31.712 0.474 1
1 384 . 13 1 1 A 40 40 PRO C C 40 177.000 176.690 0.310 1
1 388 . 13 1 1 A 41 41 SER N N 41 116.449 115.674 0.775 1
1 389 . 13 1 1 A 41 41 SER H H 41 8.466 7.787 0.679 1
1 390 . 13 1 1 A 41 41 SER CA C 41 58.350 59.374 -1.024 1
1 391 . 13 1 1 A 41 41 SER HA H 41 4.472 4.292 0.180 1
1 392 . 13 1 1 A 41 41 SER CB C 41 64.016 63.472 0.544 1
1 394 . 13 1 1 A 41 41 SER C C 41 174.682 174.305 0.377 1
1 396 . 13 1 1 A 42 42 GLY CA C 42 44.670 45.759 -1.089 1
1 397 . 13 1 1 A 42 42 GLY HA3 H 42 4.165 4.209 -0.044 1
1 398 . 13 1 1 A 42 42 GLY HA2 H 42 4.109 4.209 -0.100 1
1 399 . 13 1 1 A 43 43 PRO CA C 43 63.265 62.431 0.834 1
1 400 . 13 1 1 A 43 43 PRO HA H 43 4.478 4.507 -0.029 1
1 401 . 13 1 1 A 43 43 PRO CB C 43 32.223 33.197 -0.974 1
1 410 . 13 1 1 A 45 45 SER CA C 45 58.389 59.029 -0.640 1
1 411 . 13 1 1 A 45 45 SER HA H 45 4.498 4.192 0.306 1
1 412 . 13 1 1 A 45 45 SER CB C 45 63.929 61.236 2.693 1
1 414 . 13 1 1 A 45 45 SER C C 45 173.909 174.031 -0.122 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.938 63.603 -1.665 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.380 4.119 0.261 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.802 69.907 -0.105 1
1 9 . 14 1 1 A 9 9 GLY N N 9 110.579 110.369 0.210 1
1 10 . 14 1 1 A 9 9 GLY H H 9 8.211 8.708 -0.497 1
1 11 . 14 1 1 A 9 9 GLY CA C 9 45.481 46.984 -1.503 1
1 12 . 14 1 1 A 9 9 GLY C C 9 174.663 173.916 0.747 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.996 3.922 0.074 1
1 14 . 14 1 1 A 10 10 GLY N N 10 108.571 106.828 1.743 1
1 15 . 14 1 1 A 10 10 GLY H H 10 8.251 8.321 -0.070 1
1 16 . 14 1 1 A 10 10 GLY CA C 10 45.221 43.951 1.270 1
1 17 . 14 1 1 A 10 10 GLY HA3 H 10 3.899 4.112 -0.213 1
1 18 . 14 1 1 A 10 10 GLY C C 10 173.838 172.553 1.285 1
1 19 . 14 1 1 A 10 10 GLY HA2 H 10 3.899 4.100 -0.201 1
1 20 . 14 1 1 A 11 11 LYS CA C 11 55.715 54.990 0.725 1
1 21 . 14 1 1 A 11 11 LYS HA H 11 4.248 5.007 -0.759 1
1 22 . 14 1 1 A 11 11 LYS CB C 11 32.944 34.940 -1.996 1
1 30 . 14 1 1 A 11 11 LYS C C 11 175.376 175.271 0.105 1
1 35 . 14 1 1 A 12 12 HIS N N 12 119.464 120.054 -0.590 1
1 36 . 14 1 1 A 12 12 HIS H H 12 7.756 8.796 -1.040 1
1 37 . 14 1 1 A 12 12 HIS CA C 12 55.768 53.685 2.083 1
1 38 . 14 1 1 A 12 12 HIS HA H 12 4.590 6.091 -1.501 1
1 39 . 14 1 1 A 12 12 HIS CB C 12 31.837 32.836 -0.999 1
1 45 . 14 1 1 A 12 12 HIS C C 12 173.771 173.673 0.098 1
1 47 . 14 1 1 A 13 13 PHE N N 13 121.351 120.774 0.577 1
1 48 . 14 1 1 A 13 13 PHE H H 13 8.608 9.380 -0.772 1
1 49 . 14 1 1 A 13 13 PHE CA C 13 57.043 56.853 0.190 1
1 50 . 14 1 1 A 13 13 PHE HA H 13 4.695 4.918 -0.223 1
1 51 . 14 1 1 A 13 13 PHE CB C 13 40.358 40.878 -0.520 1
1 63 . 14 1 1 A 13 13 PHE C C 13 174.660 174.922 -0.262 1
1 65 . 14 1 1 A 14 14 GLU N N 14 123.701 124.607 -0.906 1
1 66 . 14 1 1 A 14 14 GLU H H 14 8.703 8.839 -0.136 1
1 67 . 14 1 1 A 14 14 GLU CA C 14 55.192 55.453 -0.261 1
1 68 . 14 1 1 A 14 14 GLU HA H 14 4.930 5.211 -0.281 1
1 69 . 14 1 1 A 14 14 GLU CB C 14 32.782 31.472 1.310 1
1 73 . 14 1 1 A 14 14 GLU C C 14 175.204 176.813 -1.609 1
1 76 . 14 1 1 A 15 15 CYS N N 15 126.235 124.878 1.357 1
1 77 . 14 1 1 A 15 15 CYS H H 15 9.225 9.303 -0.078 1
1 78 . 14 1 1 A 15 15 CYS CA C 15 59.373 59.888 -0.515 1
1 79 . 14 1 1 A 15 15 CYS HA H 15 4.675 4.735 -0.060 1
1 80 . 14 1 1 A 15 15 CYS CB C 15 29.593 28.397 1.196 1
1 82 . 14 1 1 A 15 15 CYS C C 15 177.738 176.077 1.661 1
1 84 . 14 1 1 A 16 16 THR N N 16 111.509 121.650 -10.141 1
1 85 . 14 1 1 A 16 16 THR H H 16 8.979 8.642 0.337 1
1 86 . 14 1 1 A 16 16 THR CA C 16 64.511 62.019 2.492 1
1 87 . 14 1 1 A 16 16 THR HA H 16 4.164 4.480 -0.316 1
1 88 . 14 1 1 A 16 16 THR CB C 16 68.647 68.256 0.391 1
1 94 . 14 1 1 A 16 16 THR C C 16 175.013 174.541 0.472 1
1 95 . 14 1 1 A 17 17 GLU N N 17 122.589 120.582 2.007 1
1 96 . 14 1 1 A 17 17 GLU H H 17 8.635 8.068 0.567 1
1 97 . 14 1 1 A 17 17 GLU CA C 17 58.162 57.139 1.023 1
1 98 . 14 1 1 A 17 17 GLU HA H 17 4.239 4.392 -0.153 1
1 99 . 14 1 1 A 17 17 GLU CB C 17 29.496 31.363 -1.867 1
1 103 . 14 1 1 A 17 17 GLU C C 17 177.246 177.520 -0.274 1
1 106 . 14 1 1 A 18 18 CYS N N 18 114.562 114.631 -0.069 1
1 107 . 14 1 1 A 18 18 CYS H H 18 7.910 8.021 -0.111 1
1 108 . 14 1 1 A 18 18 CYS CA C 18 58.391 59.469 -1.078 1
1 109 . 14 1 1 A 18 18 CYS HA H 18 5.164 4.573 0.591 1
1 110 . 14 1 1 A 18 18 CYS CB C 18 32.468 29.872 2.596 1
1 112 . 14 1 1 A 18 18 CYS C C 18 176.262 175.425 0.837 1
1 114 . 14 1 1 A 19 19 GLY N N 19 113.487 110.327 3.160 1
1 115 . 14 1 1 A 19 19 GLY H H 19 8.165 8.284 -0.119 1
1 116 . 14 1 1 A 19 19 GLY CA C 19 46.214 45.389 0.825 1
1 117 . 14 1 1 A 19 19 GLY HA3 H 19 3.886 4.068 -0.182 1
1 118 . 14 1 1 A 19 19 GLY C C 19 173.798 174.415 -0.617 1
1 119 . 14 1 1 A 19 19 GLY HA2 H 19 4.214 4.042 0.172 1
1 120 . 14 1 1 A 20 20 LYS N N 20 122.564 122.139 0.425 1
1 121 . 14 1 1 A 20 20 LYS H H 20 7.884 7.622 0.262 1
1 122 . 14 1 1 A 20 20 LYS CA C 20 57.974 55.557 2.417 1
1 123 . 14 1 1 A 20 20 LYS HA H 20 3.962 4.333 -0.371 1
1 124 . 14 1 1 A 20 20 LYS CB C 20 33.877 33.199 0.678 1
1 132 . 14 1 1 A 20 20 LYS C C 20 173.740 175.864 -2.124 1
1 137 . 14 1 1 A 21 21 ALA N N 21 123.364 128.794 -5.430 1
1 138 . 14 1 1 A 21 21 ALA H H 21 7.839 8.502 -0.663 1
1 139 . 14 1 1 A 21 21 ALA CA C 21 50.556 50.662 -0.106 1
1 140 . 14 1 1 A 21 21 ALA HA H 21 4.987 5.269 -0.282 1
1 141 . 14 1 1 A 21 21 ALA CB C 21 21.924 20.735 1.189 1
1 145 . 14 1 1 A 21 21 ALA C C 21 176.349 176.470 -0.121 1
1 146 . 14 1 1 A 22 22 PHE N N 22 117.458 119.273 -1.815 1
1 147 . 14 1 1 A 22 22 PHE H H 22 8.633 9.535 -0.902 1
1 148 . 14 1 1 A 22 22 PHE CA C 22 57.005 56.573 0.432 1
1 149 . 14 1 1 A 22 22 PHE HA H 22 4.855 5.052 -0.197 1
1 150 . 14 1 1 A 22 22 PHE CB C 22 43.656 42.695 0.961 1
1 162 . 14 1 1 A 22 22 PHE C C 22 175.978 175.965 0.013 1
1 164 . 14 1 1 A 23 23 THR CA C 23 62.840 63.370 -0.530 1
1 165 . 14 1 1 A 23 23 THR HA H 23 4.615 4.592 0.023 1
1 166 . 14 1 1 A 23 23 THR CB C 23 69.738 69.505 0.233 1
1 172 . 14 1 1 A 23 23 THR C C 23 174.588 173.975 0.613 1
1 173 . 14 1 1 A 24 24 ARG N N 24 117.287 120.838 -3.551 1
1 174 . 14 1 1 A 24 24 ARG H H 24 7.306 7.698 -0.392 1
1 175 . 14 1 1 A 24 24 ARG CA C 24 54.452 54.369 0.083 1
1 176 . 14 1 1 A 24 24 ARG HA H 24 4.703 4.583 0.120 1
1 177 . 14 1 1 A 24 24 ARG CB C 24 33.863 31.413 2.450 1
1 183 . 14 1 1 A 24 24 ARG C C 24 175.439 175.891 -0.452 1
1 187 . 14 1 1 A 25 25 LYS CA C 25 59.205 59.279 -0.074 1
1 188 . 14 1 1 A 25 25 LYS HA H 25 3.150 3.323 -0.173 1
1 189 . 14 1 1 A 25 25 LYS CB C 25 31.728 31.310 0.418 1
1 200 . 14 1 1 A 26 26 SER CA C 26 60.817 61.351 -0.534 1
1 201 . 14 1 1 A 26 26 SER HA H 26 4.043 4.087 -0.044 1
1 202 . 14 1 1 A 26 26 SER CB C 26 61.472 63.023 -1.551 1
1 204 . 14 1 1 A 26 26 SER C C 26 177.205 177.271 -0.066 1
1 206 . 14 1 1 A 27 27 THR N N 27 117.923 117.887 0.036 1
1 207 . 14 1 1 A 27 27 THR H H 27 6.917 7.666 -0.749 1
1 208 . 14 1 1 A 27 27 THR CA C 27 65.095 67.137 -2.042 1
1 209 . 14 1 1 A 27 27 THR HA H 27 3.923 3.911 0.012 1
1 210 . 14 1 1 A 27 27 THR CB C 27 67.872 68.819 -0.947 1
1 216 . 14 1 1 A 27 27 THR C C 27 176.713 176.007 0.706 1
1 217 . 14 1 1 A 28 28 LEU N N 28 123.790 121.089 2.701 1
1 218 . 14 1 1 A 28 28 LEU H H 28 7.141 7.883 -0.742 1
1 219 . 14 1 1 A 28 28 LEU CA C 28 58.267 57.422 0.845 1
1 220 . 14 1 1 A 28 28 LEU HA H 28 3.229 2.933 0.296 1
1 221 . 14 1 1 A 28 28 LEU CB C 28 40.123 41.168 -1.045 1
1 233 . 14 1 1 A 28 28 LEU C C 28 177.782 178.156 -0.374 1
1 235 . 14 1 1 A 29 29 SER N N 29 114.756 114.071 0.685 1
1 236 . 14 1 1 A 29 29 SER H H 29 8.465 7.968 0.497 1
1 237 . 14 1 1 A 29 29 SER CA C 29 61.832 61.142 0.690 1
1 238 . 14 1 1 A 29 29 SER HA H 29 4.255 3.997 0.258 1
1 239 . 14 1 1 A 29 29 SER CB C 29 62.537 62.791 -0.254 1
1 241 . 14 1 1 A 29 29 SER C C 29 177.070 176.413 0.657 1
1 243 . 14 1 1 A 30 30 MET N N 30 119.297 119.208 0.089 1
1 244 . 14 1 1 A 30 30 MET H H 30 7.502 7.997 -0.495 1
1 245 . 14 1 1 A 30 30 MET CA C 30 58.202 57.867 0.335 1
1 246 . 14 1 1 A 30 30 MET HA H 30 4.154 4.337 -0.183 1
1 247 . 14 1 1 A 30 30 MET CB C 30 32.390 32.492 -0.102 1
1 255 . 14 1 1 A 30 30 MET C C 30 178.561 178.347 0.214 1
1 258 . 14 1 1 A 31 31 HIS N N 31 120.247 120.342 -0.095 1
1 259 . 14 1 1 A 31 31 HIS H H 31 7.805 7.996 -0.191 1
1 260 . 14 1 1 A 31 31 HIS CA C 31 59.197 59.623 -0.426 1
1 261 . 14 1 1 A 31 31 HIS HA H 31 4.168 4.149 0.019 1
1 262 . 14 1 1 A 31 31 HIS CB C 31 28.173 29.914 -1.741 1
1 268 . 14 1 1 A 31 31 HIS C C 31 176.343 177.755 -1.412 1
1 270 . 14 1 1 A 32 32 GLN N N 32 115.288 118.820 -3.532 1
1 271 . 14 1 1 A 32 32 GLN H H 32 8.405 8.618 -0.213 1
1 272 . 14 1 1 A 32 32 GLN CA C 32 59.419 58.843 0.576 1
1 273 . 14 1 1 A 32 32 GLN HA H 32 3.692 3.943 -0.251 1
1 274 . 14 1 1 A 32 32 GLN CB C 32 28.474 28.468 0.006 1
1 281 . 14 1 1 A 32 32 GLN C C 32 177.514 177.971 -0.457 1
1 284 . 14 1 1 A 33 33 LYS N N 33 117.142 118.759 -1.617 1
1 285 . 14 1 1 A 33 33 LYS H H 33 7.103 7.725 -0.622 1
1 286 . 14 1 1 A 33 33 LYS CA C 33 58.467 57.998 0.469 1
1 287 . 14 1 1 A 33 33 LYS HA H 33 4.111 4.367 -0.256 1
1 288 . 14 1 1 A 33 33 LYS CB C 33 32.225 32.330 -0.105 1
1 296 . 14 1 1 A 33 33 LYS C C 33 178.784 178.956 -0.172 1
1 301 . 14 1 1 A 34 34 ILE N N 34 116.412 115.501 0.911 1
1 302 . 14 1 1 A 34 34 ILE H H 34 7.822 7.780 0.042 1
1 303 . 14 1 1 A 34 34 ILE CA C 34 63.061 62.999 0.062 1
1 304 . 14 1 1 A 34 34 ILE HA H 34 3.975 3.853 0.122 1
1 305 . 14 1 1 A 34 34 ILE CB C 34 37.649 37.185 0.464 1
1 317 . 14 1 1 A 34 34 ILE C C 34 177.516 176.274 1.242 1
1 319 . 14 1 1 A 35 35 HIS N N 35 117.694 119.361 -1.667 1
1 320 . 14 1 1 A 35 35 HIS H H 35 7.194 7.455 -0.261 1
1 321 . 14 1 1 A 35 35 HIS CA C 35 55.301 57.176 -1.875 1
1 322 . 14 1 1 A 35 35 HIS HA H 35 4.846 4.617 0.229 1
1 323 . 14 1 1 A 35 35 HIS CB C 35 28.487 31.488 -3.001 1
1 329 . 14 1 1 A 35 35 HIS C C 35 175.812 177.271 -1.459 1
1 331 . 14 1 1 A 36 36 THR N N 36 111.822 112.944 -1.122 1
1 332 . 14 1 1 A 36 36 THR H H 36 7.763 7.974 -0.211 1
1 333 . 14 1 1 A 36 36 THR CA C 36 62.564 65.305 -2.741 1
1 334 . 14 1 1 A 36 36 THR HA H 36 4.350 4.018 0.332 1
1 335 . 14 1 1 A 36 36 THR CB C 36 69.813 67.975 1.838 1
1 341 . 14 1 1 A 36 36 THR C C 36 175.513 177.293 -1.780 1
1 342 . 14 1 1 A 37 37 GLY N N 37 110.617 110.302 0.315 1
1 343 . 14 1 1 A 37 37 GLY H H 37 8.212 7.977 0.235 1
1 344 . 14 1 1 A 37 37 GLY CA C 37 45.405 47.127 -1.722 1
1 345 . 14 1 1 A 37 37 GLY HA3 H 37 4.024 3.715 0.309 1
1 346 . 14 1 1 A 37 37 GLY C C 37 174.041 175.807 -1.766 1
1 347 . 14 1 1 A 37 37 GLY HA2 H 37 3.966 3.704 0.262 1
1 348 . 14 1 1 A 38 38 GLU N N 38 120.572 121.827 -1.255 1
1 349 . 14 1 1 A 38 38 GLU H H 38 8.097 8.545 -0.448 1
1 350 . 14 1 1 A 38 38 GLU CA C 38 56.480 58.997 -2.517 1
1 351 . 14 1 1 A 38 38 GLU HA H 38 4.253 4.182 0.071 1
1 352 . 14 1 1 A 38 38 GLU CB C 38 30.586 28.878 1.708 1
1 356 . 14 1 1 A 38 38 GLU C C 38 176.244 176.709 -0.465 1
1 359 . 14 1 1 A 39 39 LYS N N 39 123.658 121.157 2.501 1
1 360 . 14 1 1 A 39 39 LYS H H 39 8.366 7.483 0.883 1
1 361 . 14 1 1 A 39 39 LYS CA C 39 54.084 54.329 -0.245 1
1 362 . 14 1 1 A 39 39 LYS HA H 39 4.614 4.465 0.149 1
1 363 . 14 1 1 A 39 39 LYS CB C 39 32.557 33.998 -1.441 1
1 371 . 14 1 1 A 39 39 LYS C C 39 174.505 176.353 -1.848 1
1 376 . 14 1 1 A 40 40 PRO CA C 40 63.210 65.219 -2.009 1
1 377 . 14 1 1 A 40 40 PRO HA H 40 4.466 4.345 0.121 1
1 378 . 14 1 1 A 40 40 PRO CB C 40 32.186 31.946 0.240 1
1 384 . 14 1 1 A 40 40 PRO C C 40 177.000 176.809 0.191 1
1 388 . 14 1 1 A 41 41 SER N N 41 116.449 113.700 2.749 1
1 389 . 14 1 1 A 41 41 SER H H 41 8.466 7.612 0.854 1
1 390 . 14 1 1 A 41 41 SER CA C 41 58.350 58.672 -0.322 1
1 391 . 14 1 1 A 41 41 SER HA H 41 4.472 4.502 -0.030 1
1 392 . 14 1 1 A 41 41 SER CB C 41 64.016 64.034 -0.018 1
1 394 . 14 1 1 A 41 41 SER C C 41 174.682 174.457 0.225 1
1 396 . 14 1 1 A 42 42 GLY CA C 42 44.670 44.319 0.351 1
1 397 . 14 1 1 A 42 42 GLY HA3 H 42 4.165 4.380 -0.215 1
1 398 . 14 1 1 A 42 42 GLY HA2 H 42 4.109 4.379 -0.270 1
1 399 . 14 1 1 A 43 43 PRO CA C 43 63.265 62.505 0.760 1
1 400 . 14 1 1 A 43 43 PRO HA H 43 4.478 4.588 -0.110 1
1 401 . 14 1 1 A 43 43 PRO CB C 43 32.223 33.273 -1.050 1
1 410 . 14 1 1 A 45 45 SER CA C 45 58.389 56.823 1.566 1
1 411 . 14 1 1 A 45 45 SER HA H 45 4.498 5.148 -0.650 1
1 412 . 14 1 1 A 45 45 SER CB C 45 63.929 66.073 -2.144 1
1 414 . 14 1 1 A 45 45 SER C C 45 173.909 172.957 0.952 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.938 59.838 2.100 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.380 4.909 -0.529 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.802 70.680 -0.878 1
1 9 . 15 1 1 A 9 9 GLY N N 9 110.579 112.348 -1.769 1
1 10 . 15 1 1 A 9 9 GLY H H 9 8.211 8.254 -0.043 1
1 11 . 15 1 1 A 9 9 GLY CA C 9 45.481 46.123 -0.642 1
1 12 . 15 1 1 A 9 9 GLY C C 9 174.663 174.382 0.281 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.996 4.184 -0.188 1
1 14 . 15 1 1 A 10 10 GLY N N 10 108.571 106.853 1.718 1
1 15 . 15 1 1 A 10 10 GLY H H 10 8.251 7.959 0.292 1
1 16 . 15 1 1 A 10 10 GLY CA C 10 45.221 44.908 0.313 1
1 17 . 15 1 1 A 10 10 GLY HA3 H 10 3.899 4.044 -0.145 1
1 18 . 15 1 1 A 10 10 GLY C C 10 173.838 172.990 0.848 1
1 19 . 15 1 1 A 10 10 GLY HA2 H 10 3.899 4.029 -0.130 1
1 20 . 15 1 1 A 11 11 LYS CA C 11 55.715 54.899 0.816 1
1 21 . 15 1 1 A 11 11 LYS HA H 11 4.248 4.679 -0.431 1
1 22 . 15 1 1 A 11 11 LYS CB C 11 32.944 32.231 0.713 1
1 30 . 15 1 1 A 11 11 LYS C C 11 175.376 174.688 0.688 1
1 35 . 15 1 1 A 12 12 HIS N N 12 119.464 124.806 -5.342 1
1 36 . 15 1 1 A 12 12 HIS H H 12 7.756 8.958 -1.202 1
1 37 . 15 1 1 A 12 12 HIS CA C 12 55.768 54.500 1.268 1
1 38 . 15 1 1 A 12 12 HIS HA H 12 4.590 5.360 -0.770 1
1 39 . 15 1 1 A 12 12 HIS CB C 12 31.837 33.248 -1.411 1
1 45 . 15 1 1 A 12 12 HIS C C 12 173.771 173.081 0.690 1
1 47 . 15 1 1 A 13 13 PHE N N 13 121.351 125.459 -4.108 1
1 48 . 15 1 1 A 13 13 PHE H H 13 8.608 8.937 -0.329 1
1 49 . 15 1 1 A 13 13 PHE CA C 13 57.043 57.255 -0.212 1
1 50 . 15 1 1 A 13 13 PHE HA H 13 4.695 5.239 -0.544 1
1 51 . 15 1 1 A 13 13 PHE CB C 13 40.358 40.489 -0.131 1
1 63 . 15 1 1 A 13 13 PHE C C 13 174.660 174.912 -0.252 1
1 65 . 15 1 1 A 14 14 GLU N N 14 123.701 125.223 -1.522 1
1 66 . 15 1 1 A 14 14 GLU H H 14 8.703 9.073 -0.370 1
1 67 . 15 1 1 A 14 14 GLU CA C 14 55.192 55.200 -0.008 1
1 68 . 15 1 1 A 14 14 GLU HA H 14 4.930 5.284 -0.354 1
1 69 . 15 1 1 A 14 14 GLU CB C 14 32.782 31.565 1.217 1
1 73 . 15 1 1 A 14 14 GLU C C 14 175.204 176.609 -1.405 1
1 76 . 15 1 1 A 15 15 CYS N N 15 126.235 125.107 1.128 1
1 77 . 15 1 1 A 15 15 CYS H H 15 9.225 9.331 -0.106 1
1 78 . 15 1 1 A 15 15 CYS CA C 15 59.373 59.463 -0.090 1
1 79 . 15 1 1 A 15 15 CYS HA H 15 4.675 4.707 -0.032 1
1 80 . 15 1 1 A 15 15 CYS CB C 15 29.593 28.766 0.827 1
1 82 . 15 1 1 A 15 15 CYS C C 15 177.738 176.360 1.378 1
1 84 . 15 1 1 A 16 16 THR N N 16 111.509 120.651 -9.142 1
1 85 . 15 1 1 A 16 16 THR H H 16 8.979 8.796 0.183 1
1 86 . 15 1 1 A 16 16 THR CA C 16 64.511 64.420 0.091 1
1 87 . 15 1 1 A 16 16 THR HA H 16 4.164 4.267 -0.103 1
1 88 . 15 1 1 A 16 16 THR CB C 16 68.647 68.706 -0.059 1
1 94 . 15 1 1 A 16 16 THR C C 16 175.013 175.536 -0.523 1
1 95 . 15 1 1 A 17 17 GLU N N 17 122.589 121.724 0.865 1
1 96 . 15 1 1 A 17 17 GLU H H 17 8.635 7.867 0.768 1
1 97 . 15 1 1 A 17 17 GLU CA C 17 58.162 58.481 -0.319 1
1 98 . 15 1 1 A 17 17 GLU HA H 17 4.239 4.111 0.128 1
1 99 . 15 1 1 A 17 17 GLU CB C 17 29.496 30.072 -0.576 1
1 103 . 15 1 1 A 17 17 GLU C C 17 177.246 178.235 -0.989 1
1 106 . 15 1 1 A 18 18 CYS N N 18 114.562 114.682 -0.120 1
1 107 . 15 1 1 A 18 18 CYS H H 18 7.910 7.957 -0.047 1
1 108 . 15 1 1 A 18 18 CYS CA C 18 58.391 59.596 -1.205 1
1 109 . 15 1 1 A 18 18 CYS HA H 18 5.164 4.518 0.646 1
1 110 . 15 1 1 A 18 18 CYS CB C 18 32.468 29.481 2.987 1
1 112 . 15 1 1 A 18 18 CYS C C 18 176.262 175.198 1.064 1
1 114 . 15 1 1 A 19 19 GLY N N 19 113.487 110.295 3.192 1
1 115 . 15 1 1 A 19 19 GLY H H 19 8.165 8.118 0.047 1
1 116 . 15 1 1 A 19 19 GLY CA C 19 46.214 45.100 1.114 1
1 117 . 15 1 1 A 19 19 GLY HA3 H 19 3.886 4.073 -0.187 1
1 118 . 15 1 1 A 19 19 GLY C C 19 173.798 174.515 -0.717 1
1 119 . 15 1 1 A 19 19 GLY HA2 H 19 4.214 4.053 0.161 1
1 120 . 15 1 1 A 20 20 LYS N N 20 122.564 122.395 0.169 1
1 121 . 15 1 1 A 20 20 LYS H H 20 7.884 7.608 0.276 1
1 122 . 15 1 1 A 20 20 LYS CA C 20 57.974 55.608 2.366 1
1 123 . 15 1 1 A 20 20 LYS HA H 20 3.962 4.248 -0.286 1
1 124 . 15 1 1 A 20 20 LYS CB C 20 33.877 33.261 0.616 1
1 132 . 15 1 1 A 20 20 LYS C C 20 173.740 175.892 -2.152 1
1 137 . 15 1 1 A 21 21 ALA N N 21 123.364 128.502 -5.138 1
1 138 . 15 1 1 A 21 21 ALA H H 21 7.839 8.447 -0.608 1
1 139 . 15 1 1 A 21 21 ALA CA C 21 50.556 50.512 0.044 1
1 140 . 15 1 1 A 21 21 ALA HA H 21 4.987 5.224 -0.237 1
1 141 . 15 1 1 A 21 21 ALA CB C 21 21.924 20.492 1.432 1
1 145 . 15 1 1 A 21 21 ALA C C 21 176.349 176.576 -0.227 1
1 146 . 15 1 1 A 22 22 PHE N N 22 117.458 119.521 -2.063 1
1 147 . 15 1 1 A 22 22 PHE H H 22 8.633 9.650 -1.017 1
1 148 . 15 1 1 A 22 22 PHE CA C 22 57.005 57.015 -0.010 1
1 149 . 15 1 1 A 22 22 PHE HA H 22 4.855 5.211 -0.356 1
1 150 . 15 1 1 A 22 22 PHE CB C 22 43.656 42.425 1.231 1
1 162 . 15 1 1 A 22 22 PHE C C 22 175.978 175.791 0.187 1
1 164 . 15 1 1 A 23 23 THR CA C 23 62.840 63.109 -0.269 1
1 165 . 15 1 1 A 23 23 THR HA H 23 4.615 3.972 0.643 1
1 166 . 15 1 1 A 23 23 THR CB C 23 69.738 69.361 0.377 1
1 172 . 15 1 1 A 23 23 THR C C 23 174.588 173.857 0.731 1
1 173 . 15 1 1 A 24 24 ARG N N 24 117.287 120.939 -3.652 1
1 174 . 15 1 1 A 24 24 ARG H H 24 7.306 7.524 -0.218 1
1 175 . 15 1 1 A 24 24 ARG CA C 24 54.452 54.293 0.159 1
1 176 . 15 1 1 A 24 24 ARG HA H 24 4.703 4.614 0.089 1
1 177 . 15 1 1 A 24 24 ARG CB C 24 33.863 32.281 1.582 1
1 183 . 15 1 1 A 24 24 ARG C C 24 175.439 175.965 -0.526 1
1 187 . 15 1 1 A 25 25 LYS CA C 25 59.205 59.098 0.107 1
1 188 . 15 1 1 A 25 25 LYS HA H 25 3.150 3.237 -0.087 1
1 189 . 15 1 1 A 25 25 LYS CB C 25 31.728 31.841 -0.113 1
1 200 . 15 1 1 A 26 26 SER CA C 26 60.817 62.566 -1.749 1
1 201 . 15 1 1 A 26 26 SER HA H 26 4.043 4.089 -0.046 1
1 202 . 15 1 1 A 26 26 SER CB C 26 61.472 62.920 -1.448 1
1 204 . 15 1 1 A 26 26 SER C C 26 177.205 176.290 0.915 1
1 206 . 15 1 1 A 27 27 THR N N 27 117.923 118.303 -0.380 1
1 207 . 15 1 1 A 27 27 THR H H 27 6.917 7.773 -0.856 1
1 208 . 15 1 1 A 27 27 THR CA C 27 65.095 66.888 -1.793 1
1 209 . 15 1 1 A 27 27 THR HA H 27 3.923 3.877 0.046 1
1 210 . 15 1 1 A 27 27 THR CB C 27 67.872 68.564 -0.692 1
1 216 . 15 1 1 A 27 27 THR C C 27 176.713 175.891 0.822 1
1 217 . 15 1 1 A 28 28 LEU N N 28 123.790 121.494 2.296 1
1 218 . 15 1 1 A 28 28 LEU H H 28 7.141 7.944 -0.803 1
1 219 . 15 1 1 A 28 28 LEU CA C 28 58.267 57.522 0.745 1
1 220 . 15 1 1 A 28 28 LEU HA H 28 3.229 2.954 0.275 1
1 221 . 15 1 1 A 28 28 LEU CB C 28 40.123 41.285 -1.162 1
1 233 . 15 1 1 A 28 28 LEU C C 28 177.782 178.381 -0.599 1
1 235 . 15 1 1 A 29 29 SER N N 29 114.756 115.811 -1.055 1
1 236 . 15 1 1 A 29 29 SER H H 29 8.465 7.591 0.874 1
1 237 . 15 1 1 A 29 29 SER CA C 29 61.832 61.819 0.013 1
1 238 . 15 1 1 A 29 29 SER HA H 29 4.255 4.087 0.168 1
1 239 . 15 1 1 A 29 29 SER CB C 29 62.537 63.025 -0.488 1
1 241 . 15 1 1 A 29 29 SER C C 29 177.070 176.454 0.616 1
1 243 . 15 1 1 A 30 30 MET N N 30 119.297 119.706 -0.409 1
1 244 . 15 1 1 A 30 30 MET H H 30 7.502 7.558 -0.056 1
1 245 . 15 1 1 A 30 30 MET CA C 30 58.202 57.711 0.491 1
1 246 . 15 1 1 A 30 30 MET HA H 30 4.154 4.309 -0.155 1
1 247 . 15 1 1 A 30 30 MET CB C 30 32.390 32.092 0.298 1
1 255 . 15 1 1 A 30 30 MET C C 30 178.561 178.407 0.154 1
1 258 . 15 1 1 A 31 31 HIS N N 31 120.247 120.497 -0.250 1
1 259 . 15 1 1 A 31 31 HIS H H 31 7.805 7.810 -0.005 1
1 260 . 15 1 1 A 31 31 HIS CA C 31 59.197 59.634 -0.437 1
1 261 . 15 1 1 A 31 31 HIS HA H 31 4.168 4.129 0.039 1
1 262 . 15 1 1 A 31 31 HIS CB C 31 28.173 29.840 -1.667 1
1 268 . 15 1 1 A 31 31 HIS C C 31 176.343 177.619 -1.276 1
1 270 . 15 1 1 A 32 32 GLN N N 32 115.288 118.216 -2.928 1
1 271 . 15 1 1 A 32 32 GLN H H 32 8.405 8.648 -0.243 1
1 272 . 15 1 1 A 32 32 GLN CA C 32 59.419 58.701 0.718 1
1 273 . 15 1 1 A 32 32 GLN HA H 32 3.692 3.999 -0.307 1
1 274 . 15 1 1 A 32 32 GLN CB C 32 28.474 28.454 0.020 1
1 281 . 15 1 1 A 32 32 GLN C C 32 177.514 177.874 -0.360 1
1 284 . 15 1 1 A 33 33 LYS N N 33 117.142 118.685 -1.543 1
1 285 . 15 1 1 A 33 33 LYS H H 33 7.103 7.788 -0.685 1
1 286 . 15 1 1 A 33 33 LYS CA C 33 58.467 57.933 0.534 1
1 287 . 15 1 1 A 33 33 LYS HA H 33 4.111 4.407 -0.296 1
1 288 . 15 1 1 A 33 33 LYS CB C 33 32.225 32.196 0.029 1
1 296 . 15 1 1 A 33 33 LYS C C 33 178.784 178.772 0.012 1
1 301 . 15 1 1 A 34 34 ILE N N 34 116.412 114.979 1.433 1
1 302 . 15 1 1 A 34 34 ILE H H 34 7.822 7.894 -0.072 1
1 303 . 15 1 1 A 34 34 ILE CA C 34 63.061 63.031 0.030 1
1 304 . 15 1 1 A 34 34 ILE HA H 34 3.975 3.854 0.121 1
1 305 . 15 1 1 A 34 34 ILE CB C 34 37.649 37.178 0.471 1
1 317 . 15 1 1 A 34 34 ILE C C 34 177.516 176.195 1.321 1
1 319 . 15 1 1 A 35 35 HIS N N 35 117.694 119.384 -1.690 1
1 320 . 15 1 1 A 35 35 HIS H H 35 7.194 7.408 -0.214 1
1 321 . 15 1 1 A 35 35 HIS CA C 35 55.301 56.755 -1.454 1
1 322 . 15 1 1 A 35 35 HIS HA H 35 4.846 4.652 0.194 1
1 323 . 15 1 1 A 35 35 HIS CB C 35 28.487 31.533 -3.046 1
1 329 . 15 1 1 A 35 35 HIS C C 35 175.812 176.730 -0.918 1
1 331 . 15 1 1 A 36 36 THR N N 36 111.822 112.724 -0.902 1
1 332 . 15 1 1 A 36 36 THR H H 36 7.763 7.772 -0.009 1
1 333 . 15 1 1 A 36 36 THR CA C 36 62.564 64.986 -2.422 1
1 334 . 15 1 1 A 36 36 THR HA H 36 4.350 4.109 0.241 1
1 335 . 15 1 1 A 36 36 THR CB C 36 69.813 68.599 1.214 1
1 341 . 15 1 1 A 36 36 THR C C 36 175.513 175.483 0.030 1
1 342 . 15 1 1 A 37 37 GLY N N 37 110.617 108.719 1.898 1
1 343 . 15 1 1 A 37 37 GLY H H 37 8.212 8.031 0.181 1
1 344 . 15 1 1 A 37 37 GLY CA C 37 45.405 47.110 -1.705 1
1 345 . 15 1 1 A 37 37 GLY HA3 H 37 4.024 3.899 0.125 1
1 346 . 15 1 1 A 37 37 GLY C C 37 174.041 173.580 0.461 1
1 347 . 15 1 1 A 37 37 GLY HA2 H 37 3.966 3.888 0.078 1
1 348 . 15 1 1 A 38 38 GLU N N 38 120.572 118.180 2.392 1
1 349 . 15 1 1 A 38 38 GLU H H 38 8.097 7.978 0.119 1
1 350 . 15 1 1 A 38 38 GLU CA C 38 56.480 54.310 2.170 1
1 351 . 15 1 1 A 38 38 GLU HA H 38 4.253 4.919 -0.666 1
1 352 . 15 1 1 A 38 38 GLU CB C 38 30.586 33.395 -2.809 1
1 356 . 15 1 1 A 38 38 GLU C C 38 176.244 175.382 0.862 1
1 359 . 15 1 1 A 39 39 LYS N N 39 123.658 121.740 1.918 1
1 360 . 15 1 1 A 39 39 LYS H H 39 8.366 8.340 0.026 1
1 361 . 15 1 1 A 39 39 LYS CA C 39 54.084 55.373 -1.289 1
1 362 . 15 1 1 A 39 39 LYS HA H 39 4.614 4.093 0.521 1
1 363 . 15 1 1 A 39 39 LYS CB C 39 32.557 32.053 0.504 1
1 371 . 15 1 1 A 39 39 LYS C C 39 174.505 175.351 -0.846 1
1 376 . 15 1 1 A 40 40 PRO CA C 40 63.210 62.700 0.510 1
1 377 . 15 1 1 A 40 40 PRO HA H 40 4.466 4.523 -0.057 1
1 378 . 15 1 1 A 40 40 PRO CB C 40 32.186 32.187 -0.001 1
1 384 . 15 1 1 A 40 40 PRO C C 40 177.000 175.712 1.288 1
1 388 . 15 1 1 A 41 41 SER N N 41 116.449 118.311 -1.862 1
1 389 . 15 1 1 A 41 41 SER H H 41 8.466 8.556 -0.090 1
1 390 . 15 1 1 A 41 41 SER CA C 41 58.350 57.712 0.638 1
1 391 . 15 1 1 A 41 41 SER HA H 41 4.472 4.852 -0.380 1
1 392 . 15 1 1 A 41 41 SER CB C 41 64.016 62.225 1.791 1
1 394 . 15 1 1 A 41 41 SER C C 41 174.682 174.035 0.647 1
1 396 . 15 1 1 A 42 42 GLY CA C 42 44.670 45.293 -0.623 1
1 397 . 15 1 1 A 42 42 GLY HA3 H 42 4.165 4.183 -0.018 1
1 398 . 15 1 1 A 42 42 GLY HA2 H 42 4.109 4.183 -0.074 1
1 399 . 15 1 1 A 43 43 PRO CA C 43 63.265 64.553 -1.288 1
1 400 . 15 1 1 A 43 43 PRO HA H 43 4.478 4.394 0.084 1
1 401 . 15 1 1 A 43 43 PRO CB C 43 32.223 32.270 -0.047 1
1 410 . 15 1 1 A 45 45 SER CA C 45 58.389 57.958 0.431 1
1 411 . 15 1 1 A 45 45 SER HA H 45 4.498 4.897 -0.399 1
1 412 . 15 1 1 A 45 45 SER CB C 45 63.929 62.400 1.529 1
1 414 . 15 1 1 A 45 45 SER C C 45 173.909 173.814 0.095 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.938 59.444 2.494 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.380 5.113 -0.733 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.802 71.295 -1.493 1
1 9 . 16 1 1 A 9 9 GLY N N 9 110.579 114.026 -3.447 1
1 10 . 16 1 1 A 9 9 GLY H H 9 8.211 8.473 -0.262 1
1 11 . 16 1 1 A 9 9 GLY CA C 9 45.481 45.384 0.097 1
1 12 . 16 1 1 A 9 9 GLY C C 9 174.663 174.832 -0.169 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.996 4.103 -0.107 1
1 14 . 16 1 1 A 10 10 GLY N N 10 108.571 115.702 -7.131 1
1 15 . 16 1 1 A 10 10 GLY H H 10 8.251 8.935 -0.684 1
1 16 . 16 1 1 A 10 10 GLY CA C 10 45.221 45.088 0.133 1
1 17 . 16 1 1 A 10 10 GLY HA3 H 10 3.899 3.948 -0.049 1
1 18 . 16 1 1 A 10 10 GLY C C 10 173.838 172.609 1.229 1
1 19 . 16 1 1 A 10 10 GLY HA2 H 10 3.899 3.942 -0.043 1
1 20 . 16 1 1 A 11 11 LYS CA C 11 55.715 54.802 0.913 1
1 21 . 16 1 1 A 11 11 LYS HA H 11 4.248 4.925 -0.677 1
1 22 . 16 1 1 A 11 11 LYS CB C 11 32.944 34.812 -1.868 1
1 30 . 16 1 1 A 11 11 LYS C C 11 175.376 174.303 1.073 1
1 35 . 16 1 1 A 12 12 HIS N N 12 119.464 124.169 -4.705 1
1 36 . 16 1 1 A 12 12 HIS H H 12 7.756 8.847 -1.091 1
1 37 . 16 1 1 A 12 12 HIS CA C 12 55.768 54.490 1.278 1
1 38 . 16 1 1 A 12 12 HIS HA H 12 4.590 5.395 -0.805 1
1 39 . 16 1 1 A 12 12 HIS CB C 12 31.837 32.966 -1.129 1
1 45 . 16 1 1 A 12 12 HIS C C 12 173.771 173.119 0.652 1
1 47 . 16 1 1 A 13 13 PHE N N 13 121.351 125.699 -4.348 1
1 48 . 16 1 1 A 13 13 PHE H H 13 8.608 8.953 -0.345 1
1 49 . 16 1 1 A 13 13 PHE CA C 13 57.043 57.322 -0.279 1
1 50 . 16 1 1 A 13 13 PHE HA H 13 4.695 5.218 -0.523 1
1 51 . 16 1 1 A 13 13 PHE CB C 13 40.358 40.838 -0.480 1
1 63 . 16 1 1 A 13 13 PHE C C 13 174.660 174.912 -0.252 1
1 65 . 16 1 1 A 14 14 GLU N N 14 123.701 124.825 -1.124 1
1 66 . 16 1 1 A 14 14 GLU H H 14 8.703 9.074 -0.371 1
1 67 . 16 1 1 A 14 14 GLU CA C 14 55.192 55.090 0.102 1
1 68 . 16 1 1 A 14 14 GLU HA H 14 4.930 5.365 -0.435 1
1 69 . 16 1 1 A 14 14 GLU CB C 14 32.782 31.985 0.797 1
1 73 . 16 1 1 A 14 14 GLU C C 14 175.204 176.311 -1.107 1
1 76 . 16 1 1 A 15 15 CYS N N 15 126.235 124.444 1.791 1
1 77 . 16 1 1 A 15 15 CYS H H 15 9.225 9.172 0.053 1
1 78 . 16 1 1 A 15 15 CYS CA C 15 59.373 58.847 0.526 1
1 79 . 16 1 1 A 15 15 CYS HA H 15 4.675 4.774 -0.099 1
1 80 . 16 1 1 A 15 15 CYS CB C 15 29.593 28.398 1.195 1
1 82 . 16 1 1 A 15 15 CYS C C 15 177.738 175.983 1.755 1
1 84 . 16 1 1 A 16 16 THR N N 16 111.509 123.152 -11.643 1
1 85 . 16 1 1 A 16 16 THR H H 16 8.979 8.891 0.088 1
1 86 . 16 1 1 A 16 16 THR CA C 16 64.511 64.352 0.159 1
1 87 . 16 1 1 A 16 16 THR HA H 16 4.164 4.148 0.016 1
1 88 . 16 1 1 A 16 16 THR CB C 16 68.647 68.821 -0.174 1
1 94 . 16 1 1 A 16 16 THR C C 16 175.013 175.956 -0.943 1
1 95 . 16 1 1 A 17 17 GLU N N 17 122.589 119.759 2.830 1
1 96 . 16 1 1 A 17 17 GLU H H 17 8.635 7.845 0.790 1
1 97 . 16 1 1 A 17 17 GLU CA C 17 58.162 58.611 -0.449 1
1 98 . 16 1 1 A 17 17 GLU HA H 17 4.239 3.982 0.257 1
1 99 . 16 1 1 A 17 17 GLU CB C 17 29.496 29.670 -0.174 1
1 103 . 16 1 1 A 17 17 GLU C C 17 177.246 178.265 -1.019 1
1 106 . 16 1 1 A 18 18 CYS N N 18 114.562 114.778 -0.216 1
1 107 . 16 1 1 A 18 18 CYS H H 18 7.910 7.872 0.038 1
1 108 . 16 1 1 A 18 18 CYS CA C 18 58.391 59.653 -1.262 1
1 109 . 16 1 1 A 18 18 CYS HA H 18 5.164 4.576 0.588 1
1 110 . 16 1 1 A 18 18 CYS CB C 18 32.468 29.554 2.914 1
1 112 . 16 1 1 A 18 18 CYS C C 18 176.262 175.286 0.976 1
1 114 . 16 1 1 A 19 19 GLY N N 19 113.487 110.298 3.189 1
1 115 . 16 1 1 A 19 19 GLY H H 19 8.165 8.038 0.127 1
1 116 . 16 1 1 A 19 19 GLY CA C 19 46.214 45.178 1.036 1
1 117 . 16 1 1 A 19 19 GLY HA3 H 19 3.886 4.080 -0.194 1
1 118 . 16 1 1 A 19 19 GLY C C 19 173.798 174.449 -0.651 1
1 119 . 16 1 1 A 19 19 GLY HA2 H 19 4.214 4.059 0.155 1
1 120 . 16 1 1 A 20 20 LYS N N 20 122.564 122.149 0.415 1
1 121 . 16 1 1 A 20 20 LYS H H 20 7.884 7.616 0.268 1
1 122 . 16 1 1 A 20 20 LYS CA C 20 57.974 55.642 2.332 1
1 123 . 16 1 1 A 20 20 LYS HA H 20 3.962 4.358 -0.396 1
1 124 . 16 1 1 A 20 20 LYS CB C 20 33.877 33.232 0.645 1
1 132 . 16 1 1 A 20 20 LYS C C 20 173.740 175.754 -2.014 1
1 137 . 16 1 1 A 21 21 ALA N N 21 123.364 129.080 -5.716 1
1 138 . 16 1 1 A 21 21 ALA H H 21 7.839 8.633 -0.794 1
1 139 . 16 1 1 A 21 21 ALA CA C 21 50.556 50.366 0.190 1
1 140 . 16 1 1 A 21 21 ALA HA H 21 4.987 5.295 -0.308 1
1 141 . 16 1 1 A 21 21 ALA CB C 21 21.924 20.037 1.887 1
1 145 . 16 1 1 A 21 21 ALA C C 21 176.349 176.663 -0.314 1
1 146 . 16 1 1 A 22 22 PHE N N 22 117.458 120.891 -3.433 1
1 147 . 16 1 1 A 22 22 PHE H H 22 8.633 9.828 -1.195 1
1 148 . 16 1 1 A 22 22 PHE CA C 22 57.005 56.360 0.645 1
1 149 . 16 1 1 A 22 22 PHE HA H 22 4.855 5.312 -0.457 1
1 150 . 16 1 1 A 22 22 PHE CB C 22 43.656 42.106 1.550 1
1 162 . 16 1 1 A 22 22 PHE C C 22 175.978 176.033 -0.055 1
1 164 . 16 1 1 A 23 23 THR CA C 23 62.840 62.869 -0.029 1
1 165 . 16 1 1 A 23 23 THR HA H 23 4.615 4.031 0.584 1
1 166 . 16 1 1 A 23 23 THR CB C 23 69.738 69.187 0.551 1
1 172 . 16 1 1 A 23 23 THR C C 23 174.588 174.298 0.290 1
1 173 . 16 1 1 A 24 24 ARG N N 24 117.287 120.639 -3.352 1
1 174 . 16 1 1 A 24 24 ARG H H 24 7.306 7.533 -0.227 1
1 175 . 16 1 1 A 24 24 ARG CA C 24 54.452 54.321 0.131 1
1 176 . 16 1 1 A 24 24 ARG HA H 24 4.703 4.590 0.113 1
1 177 . 16 1 1 A 24 24 ARG CB C 24 33.863 31.717 2.146 1
1 183 . 16 1 1 A 24 24 ARG C C 24 175.439 176.004 -0.565 1
1 187 . 16 1 1 A 25 25 LYS CA C 25 59.205 59.312 -0.107 1
1 188 . 16 1 1 A 25 25 LYS HA H 25 3.150 3.217 -0.067 1
1 189 . 16 1 1 A 25 25 LYS CB C 25 31.728 31.588 0.140 1
1 200 . 16 1 1 A 26 26 SER CA C 26 60.817 61.256 -0.439 1
1 201 . 16 1 1 A 26 26 SER HA H 26 4.043 4.144 -0.101 1
1 202 . 16 1 1 A 26 26 SER CB C 26 61.472 62.861 -1.389 1
1 204 . 16 1 1 A 26 26 SER C C 26 177.205 177.237 -0.032 1
1 206 . 16 1 1 A 27 27 THR N N 27 117.923 117.819 0.104 1
1 207 . 16 1 1 A 27 27 THR H H 27 6.917 7.866 -0.949 1
1 208 . 16 1 1 A 27 27 THR CA C 27 65.095 67.269 -2.174 1
1 209 . 16 1 1 A 27 27 THR HA H 27 3.923 3.918 0.005 1
1 210 . 16 1 1 A 27 27 THR CB C 27 67.872 68.672 -0.800 1
1 216 . 16 1 1 A 27 27 THR C C 27 176.713 176.038 0.675 1
1 217 . 16 1 1 A 28 28 LEU N N 28 123.790 121.309 2.481 1
1 218 . 16 1 1 A 28 28 LEU H H 28 7.141 7.878 -0.737 1
1 219 . 16 1 1 A 28 28 LEU CA C 28 58.267 57.508 0.759 1
1 220 . 16 1 1 A 28 28 LEU HA H 28 3.229 2.899 0.330 1
1 221 . 16 1 1 A 28 28 LEU CB C 28 40.123 41.226 -1.103 1
1 233 . 16 1 1 A 28 28 LEU C C 28 177.782 178.267 -0.485 1
1 235 . 16 1 1 A 29 29 SER N N 29 114.756 115.130 -0.374 1
1 236 . 16 1 1 A 29 29 SER H H 29 8.465 7.748 0.717 1
1 237 . 16 1 1 A 29 29 SER CA C 29 61.832 61.686 0.146 1
1 238 . 16 1 1 A 29 29 SER HA H 29 4.255 4.124 0.131 1
1 239 . 16 1 1 A 29 29 SER CB C 29 62.537 63.095 -0.558 1
1 241 . 16 1 1 A 29 29 SER C C 29 177.070 176.128 0.942 1
1 243 . 16 1 1 A 30 30 MET N N 30 119.297 119.724 -0.427 1
1 244 . 16 1 1 A 30 30 MET H H 30 7.502 7.561 -0.059 1
1 245 . 16 1 1 A 30 30 MET CA C 30 58.202 57.731 0.471 1
1 246 . 16 1 1 A 30 30 MET HA H 30 4.154 4.369 -0.215 1
1 247 . 16 1 1 A 30 30 MET CB C 30 32.390 32.262 0.128 1
1 255 . 16 1 1 A 30 30 MET C C 30 178.561 178.368 0.193 1
1 258 . 16 1 1 A 31 31 HIS N N 31 120.247 120.525 -0.278 1
1 259 . 16 1 1 A 31 31 HIS H H 31 7.805 8.013 -0.208 1
1 260 . 16 1 1 A 31 31 HIS CA C 31 59.197 59.491 -0.294 1
1 261 . 16 1 1 A 31 31 HIS HA H 31 4.168 4.150 0.018 1
1 262 . 16 1 1 A 31 31 HIS CB C 31 28.173 29.934 -1.761 1
1 268 . 16 1 1 A 31 31 HIS C C 31 176.343 177.624 -1.281 1
1 270 . 16 1 1 A 32 32 GLN N N 32 115.288 118.469 -3.181 1
1 271 . 16 1 1 A 32 32 GLN H H 32 8.405 8.453 -0.048 1
1 272 . 16 1 1 A 32 32 GLN CA C 32 59.419 58.906 0.513 1
1 273 . 16 1 1 A 32 32 GLN HA H 32 3.692 3.817 -0.125 1
1 274 . 16 1 1 A 32 32 GLN CB C 32 28.474 28.410 0.064 1
1 281 . 16 1 1 A 32 32 GLN C C 32 177.514 177.860 -0.346 1
1 284 . 16 1 1 A 33 33 LYS N N 33 117.142 118.409 -1.267 1
1 285 . 16 1 1 A 33 33 LYS H H 33 7.103 7.773 -0.670 1
1 286 . 16 1 1 A 33 33 LYS CA C 33 58.467 58.066 0.401 1
1 287 . 16 1 1 A 33 33 LYS HA H 33 4.111 4.023 0.088 1
1 288 . 16 1 1 A 33 33 LYS CB C 33 32.225 32.297 -0.072 1
1 296 . 16 1 1 A 33 33 LYS C C 33 178.784 178.042 0.742 1
1 301 . 16 1 1 A 34 34 ILE N N 34 116.412 114.901 1.511 1
1 302 . 16 1 1 A 34 34 ILE H H 34 7.822 7.801 0.021 1
1 303 . 16 1 1 A 34 34 ILE CA C 34 63.061 63.637 -0.576 1
1 304 . 16 1 1 A 34 34 ILE HA H 34 3.975 3.874 0.101 1
1 305 . 16 1 1 A 34 34 ILE CB C 34 37.649 37.269 0.380 1
1 317 . 16 1 1 A 34 34 ILE C C 34 177.516 177.676 -0.160 1
1 319 . 16 1 1 A 35 35 HIS N N 35 117.694 120.403 -2.709 1
1 320 . 16 1 1 A 35 35 HIS H H 35 7.194 7.532 -0.338 1
1 321 . 16 1 1 A 35 35 HIS CA C 35 55.301 59.270 -3.969 1
1 322 . 16 1 1 A 35 35 HIS HA H 35 4.846 4.403 0.443 1
1 323 . 16 1 1 A 35 35 HIS CB C 35 28.487 30.868 -2.381 1
1 329 . 16 1 1 A 35 35 HIS C C 35 175.812 177.635 -1.823 1
1 331 . 16 1 1 A 36 36 THR N N 36 111.822 114.550 -2.728 1
1 332 . 16 1 1 A 36 36 THR H H 36 7.763 7.441 0.322 1
1 333 . 16 1 1 A 36 36 THR CA C 36 62.564 65.170 -2.606 1
1 334 . 16 1 1 A 36 36 THR HA H 36 4.350 4.020 0.330 1
1 335 . 16 1 1 A 36 36 THR CB C 36 69.813 69.018 0.795 1
1 341 . 16 1 1 A 36 36 THR C C 36 175.513 175.665 -0.152 1
1 342 . 16 1 1 A 37 37 GLY N N 37 110.617 108.039 2.578 1
1 343 . 16 1 1 A 37 37 GLY H H 37 8.212 7.701 0.511 1
1 344 . 16 1 1 A 37 37 GLY CA C 37 45.405 46.028 -0.623 1
1 345 . 16 1 1 A 37 37 GLY HA3 H 37 4.024 3.834 0.190 1
1 346 . 16 1 1 A 37 37 GLY C C 37 174.041 174.225 -0.184 1
1 347 . 16 1 1 A 37 37 GLY HA2 H 37 3.966 3.824 0.142 1
1 348 . 16 1 1 A 38 38 GLU N N 38 120.572 124.294 -3.722 1
1 349 . 16 1 1 A 38 38 GLU H H 38 8.097 8.537 -0.440 1
1 350 . 16 1 1 A 38 38 GLU CA C 38 56.480 56.682 -0.202 1
1 351 . 16 1 1 A 38 38 GLU HA H 38 4.253 4.316 -0.063 1
1 352 . 16 1 1 A 38 38 GLU CB C 38 30.586 29.843 0.743 1
1 356 . 16 1 1 A 38 38 GLU C C 38 176.244 175.592 0.652 1
1 359 . 16 1 1 A 39 39 LYS N N 39 123.658 126.006 -2.348 1
1 360 . 16 1 1 A 39 39 LYS H H 39 8.366 8.686 -0.320 1
1 361 . 16 1 1 A 39 39 LYS CA C 39 54.084 52.758 1.326 1
1 362 . 16 1 1 A 39 39 LYS HA H 39 4.614 4.964 -0.350 1
1 363 . 16 1 1 A 39 39 LYS CB C 39 32.557 34.002 -1.445 1
1 371 . 16 1 1 A 39 39 LYS C C 39 174.505 174.361 0.144 1
1 376 . 16 1 1 A 40 40 PRO CA C 40 63.210 62.322 0.888 1
1 377 . 16 1 1 A 40 40 PRO HA H 40 4.466 4.715 -0.249 1
1 378 . 16 1 1 A 40 40 PRO CB C 40 32.186 29.659 2.527 1
1 384 . 16 1 1 A 40 40 PRO C C 40 177.000 176.738 0.262 1
1 388 . 16 1 1 A 41 41 SER N N 41 116.449 118.359 -1.910 1
1 389 . 16 1 1 A 41 41 SER H H 41 8.466 8.329 0.137 1
1 390 . 16 1 1 A 41 41 SER CA C 41 58.350 57.694 0.656 1
1 391 . 16 1 1 A 41 41 SER HA H 41 4.472 4.605 -0.133 1
1 392 . 16 1 1 A 41 41 SER CB C 41 64.016 62.396 1.620 1
1 394 . 16 1 1 A 41 41 SER C C 41 174.682 174.426 0.256 1
1 396 . 16 1 1 A 42 42 GLY CA C 42 44.670 46.573 -1.903 1
1 397 . 16 1 1 A 42 42 GLY HA3 H 42 4.165 3.928 0.237 1
1 398 . 16 1 1 A 42 42 GLY HA2 H 42 4.109 3.927 0.182 1
1 399 . 16 1 1 A 43 43 PRO CA C 43 63.265 64.431 -1.166 1
1 400 . 16 1 1 A 43 43 PRO HA H 43 4.478 4.360 0.118 1
1 401 . 16 1 1 A 43 43 PRO CB C 43 32.223 31.423 0.800 1
1 410 . 16 1 1 A 45 45 SER CA C 45 58.389 57.935 0.454 1
1 411 . 16 1 1 A 45 45 SER HA H 45 4.498 4.934 -0.436 1
1 412 . 16 1 1 A 45 45 SER CB C 45 63.929 66.426 -2.497 1
1 414 . 16 1 1 A 45 45 SER C C 45 173.909 172.802 1.107 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.938 62.239 -0.301 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.380 4.529 -0.149 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.802 67.542 2.260 1
1 9 . 17 1 1 A 9 9 GLY N N 9 110.579 112.483 -1.904 1
1 10 . 17 1 1 A 9 9 GLY H H 9 8.211 7.901 0.310 1
1 11 . 17 1 1 A 9 9 GLY CA C 9 45.481 45.865 -0.384 1
1 12 . 17 1 1 A 9 9 GLY C C 9 174.663 172.648 2.015 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.996 4.133 -0.137 1
1 14 . 17 1 1 A 10 10 GLY N N 10 108.571 109.865 -1.294 1
1 15 . 17 1 1 A 10 10 GLY H H 10 8.251 8.548 -0.297 1
1 16 . 17 1 1 A 10 10 GLY CA C 10 45.221 45.271 -0.050 1
1 17 . 17 1 1 A 10 10 GLY HA3 H 10 3.899 4.227 -0.328 1
1 18 . 17 1 1 A 10 10 GLY C C 10 173.838 173.596 0.242 1
1 19 . 17 1 1 A 10 10 GLY HA2 H 10 3.899 4.214 -0.315 1
1 20 . 17 1 1 A 11 11 LYS CA C 11 55.715 55.851 -0.136 1
1 21 . 17 1 1 A 11 11 LYS HA H 11 4.248 4.334 -0.086 1
1 22 . 17 1 1 A 11 11 LYS CB C 11 32.944 32.666 0.278 1
1 30 . 17 1 1 A 11 11 LYS C C 11 175.376 176.171 -0.795 1
1 35 . 17 1 1 A 12 12 HIS N N 12 119.464 124.982 -5.518 1
1 36 . 17 1 1 A 12 12 HIS H H 12 7.756 8.745 -0.989 1
1 37 . 17 1 1 A 12 12 HIS CA C 12 55.768 56.196 -0.428 1
1 38 . 17 1 1 A 12 12 HIS HA H 12 4.590 4.843 -0.253 1
1 39 . 17 1 1 A 12 12 HIS CB C 12 31.837 30.888 0.949 1
1 45 . 17 1 1 A 12 12 HIS C C 12 173.771 173.697 0.074 1
1 47 . 17 1 1 A 13 13 PHE N N 13 121.351 126.639 -5.288 1
1 48 . 17 1 1 A 13 13 PHE H H 13 8.608 9.072 -0.464 1
1 49 . 17 1 1 A 13 13 PHE CA C 13 57.043 57.322 -0.279 1
1 50 . 17 1 1 A 13 13 PHE HA H 13 4.695 5.149 -0.454 1
1 51 . 17 1 1 A 13 13 PHE CB C 13 40.358 40.641 -0.283 1
1 63 . 17 1 1 A 13 13 PHE C C 13 174.660 174.959 -0.299 1
1 65 . 17 1 1 A 14 14 GLU N N 14 123.701 124.843 -1.142 1
1 66 . 17 1 1 A 14 14 GLU H H 14 8.703 9.053 -0.350 1
1 67 . 17 1 1 A 14 14 GLU CA C 14 55.192 55.150 0.042 1
1 68 . 17 1 1 A 14 14 GLU HA H 14 4.930 5.363 -0.433 1
1 69 . 17 1 1 A 14 14 GLU CB C 14 32.782 31.803 0.979 1
1 73 . 17 1 1 A 14 14 GLU C C 14 175.204 176.486 -1.282 1
1 76 . 17 1 1 A 15 15 CYS N N 15 126.235 124.085 2.150 1
1 77 . 17 1 1 A 15 15 CYS H H 15 9.225 9.048 0.177 1
1 78 . 17 1 1 A 15 15 CYS CA C 15 59.373 58.816 0.557 1
1 79 . 17 1 1 A 15 15 CYS HA H 15 4.675 4.751 -0.076 1
1 80 . 17 1 1 A 15 15 CYS CB C 15 29.593 28.634 0.959 1
1 82 . 17 1 1 A 15 15 CYS C C 15 177.738 175.959 1.779 1
1 84 . 17 1 1 A 16 16 THR N N 16 111.509 123.029 -11.520 1
1 85 . 17 1 1 A 16 16 THR H H 16 8.979 8.880 0.099 1
1 86 . 17 1 1 A 16 16 THR CA C 16 64.511 64.235 0.276 1
1 87 . 17 1 1 A 16 16 THR HA H 16 4.164 4.176 -0.012 1
1 88 . 17 1 1 A 16 16 THR CB C 16 68.647 68.928 -0.281 1
1 94 . 17 1 1 A 16 16 THR C C 16 175.013 175.955 -0.942 1
1 95 . 17 1 1 A 17 17 GLU N N 17 122.589 119.792 2.797 1
1 96 . 17 1 1 A 17 17 GLU H H 17 8.635 7.445 1.190 1
1 97 . 17 1 1 A 17 17 GLU CA C 17 58.162 58.711 -0.549 1
1 98 . 17 1 1 A 17 17 GLU HA H 17 4.239 3.994 0.245 1
1 99 . 17 1 1 A 17 17 GLU CB C 17 29.496 29.604 -0.108 1
1 103 . 17 1 1 A 17 17 GLU C C 17 177.246 178.320 -1.074 1
1 106 . 17 1 1 A 18 18 CYS N N 18 114.562 114.786 -0.224 1
1 107 . 17 1 1 A 18 18 CYS H H 18 7.910 7.846 0.064 1
1 108 . 17 1 1 A 18 18 CYS CA C 18 58.391 59.653 -1.262 1
1 109 . 17 1 1 A 18 18 CYS HA H 18 5.164 4.559 0.605 1
1 110 . 17 1 1 A 18 18 CYS CB C 18 32.468 29.518 2.950 1
1 112 . 17 1 1 A 18 18 CYS C C 18 176.262 175.279 0.983 1
1 114 . 17 1 1 A 19 19 GLY N N 19 113.487 110.288 3.199 1
1 115 . 17 1 1 A 19 19 GLY H H 19 8.165 8.174 -0.009 1
1 116 . 17 1 1 A 19 19 GLY CA C 19 46.214 45.115 1.099 1
1 117 . 17 1 1 A 19 19 GLY HA3 H 19 3.886 4.078 -0.192 1
1 118 . 17 1 1 A 19 19 GLY C C 19 173.798 174.448 -0.650 1
1 119 . 17 1 1 A 19 19 GLY HA2 H 19 4.214 4.056 0.158 1
1 120 . 17 1 1 A 20 20 LYS N N 20 122.564 122.165 0.399 1
1 121 . 17 1 1 A 20 20 LYS H H 20 7.884 7.596 0.288 1
1 122 . 17 1 1 A 20 20 LYS CA C 20 57.974 55.660 2.314 1
1 123 . 17 1 1 A 20 20 LYS HA H 20 3.962 4.244 -0.282 1
1 124 . 17 1 1 A 20 20 LYS CB C 20 33.877 33.122 0.755 1
1 132 . 17 1 1 A 20 20 LYS C C 20 173.740 175.889 -2.149 1
1 137 . 17 1 1 A 21 21 ALA N N 21 123.364 128.727 -5.363 1
1 138 . 17 1 1 A 21 21 ALA H H 21 7.839 8.442 -0.603 1
1 139 . 17 1 1 A 21 21 ALA CA C 21 50.556 50.632 -0.076 1
1 140 . 17 1 1 A 21 21 ALA HA H 21 4.987 5.124 -0.137 1
1 141 . 17 1 1 A 21 21 ALA CB C 21 21.924 20.349 1.575 1
1 145 . 17 1 1 A 21 21 ALA C C 21 176.349 176.592 -0.243 1
1 146 . 17 1 1 A 22 22 PHE N N 22 117.458 119.671 -2.213 1
1 147 . 17 1 1 A 22 22 PHE H H 22 8.633 9.688 -1.055 1
1 148 . 17 1 1 A 22 22 PHE CA C 22 57.005 56.868 0.137 1
1 149 . 17 1 1 A 22 22 PHE HA H 22 4.855 5.206 -0.351 1
1 150 . 17 1 1 A 22 22 PHE CB C 22 43.656 42.176 1.480 1
1 162 . 17 1 1 A 22 22 PHE C C 22 175.978 176.016 -0.038 1
1 164 . 17 1 1 A 23 23 THR CA C 23 62.840 62.906 -0.066 1
1 165 . 17 1 1 A 23 23 THR HA H 23 4.615 4.075 0.540 1
1 166 . 17 1 1 A 23 23 THR CB C 23 69.738 69.260 0.478 1
1 172 . 17 1 1 A 23 23 THR C C 23 174.588 173.890 0.698 1
1 173 . 17 1 1 A 24 24 ARG N N 24 117.287 121.416 -4.129 1
1 174 . 17 1 1 A 24 24 ARG H H 24 7.306 7.611 -0.305 1
1 175 . 17 1 1 A 24 24 ARG CA C 24 54.452 54.262 0.190 1
1 176 . 17 1 1 A 24 24 ARG HA H 24 4.703 4.598 0.105 1
1 177 . 17 1 1 A 24 24 ARG CB C 24 33.863 32.434 1.429 1
1 183 . 17 1 1 A 24 24 ARG C C 24 175.439 175.890 -0.451 1
1 187 . 17 1 1 A 25 25 LYS CA C 25 59.205 59.471 -0.266 1
1 188 . 17 1 1 A 25 25 LYS HA H 25 3.150 3.301 -0.151 1
1 189 . 17 1 1 A 25 25 LYS CB C 25 31.728 31.778 -0.050 1
1 200 . 17 1 1 A 26 26 SER CA C 26 60.817 61.132 -0.315 1
1 201 . 17 1 1 A 26 26 SER HA H 26 4.043 4.163 -0.120 1
1 202 . 17 1 1 A 26 26 SER CB C 26 61.472 62.759 -1.287 1
1 204 . 17 1 1 A 26 26 SER C C 26 177.205 177.285 -0.080 1
1 206 . 17 1 1 A 27 27 THR N N 27 117.923 117.769 0.154 1
1 207 . 17 1 1 A 27 27 THR H H 27 6.917 7.869 -0.952 1
1 208 . 17 1 1 A 27 27 THR CA C 27 65.095 67.226 -2.131 1
1 209 . 17 1 1 A 27 27 THR HA H 27 3.923 3.928 -0.005 1
1 210 . 17 1 1 A 27 27 THR CB C 27 67.872 68.664 -0.792 1
1 216 . 17 1 1 A 27 27 THR C C 27 176.713 175.983 0.730 1
1 217 . 17 1 1 A 28 28 LEU N N 28 123.790 121.611 2.179 1
1 218 . 17 1 1 A 28 28 LEU H H 28 7.141 7.942 -0.801 1
1 219 . 17 1 1 A 28 28 LEU CA C 28 58.267 57.598 0.669 1
1 220 . 17 1 1 A 28 28 LEU HA H 28 3.229 2.925 0.304 1
1 221 . 17 1 1 A 28 28 LEU CB C 28 40.123 41.438 -1.315 1
1 233 . 17 1 1 A 28 28 LEU C C 28 177.782 178.080 -0.298 1
1 235 . 17 1 1 A 29 29 SER N N 29 114.756 114.322 0.434 1
1 236 . 17 1 1 A 29 29 SER H H 29 8.465 7.864 0.601 1
1 237 . 17 1 1 A 29 29 SER CA C 29 61.832 61.455 0.377 1
1 238 . 17 1 1 A 29 29 SER HA H 29 4.255 3.995 0.260 1
1 239 . 17 1 1 A 29 29 SER CB C 29 62.537 62.898 -0.361 1
1 241 . 17 1 1 A 29 29 SER C C 29 177.070 176.572 0.498 1
1 243 . 17 1 1 A 30 30 MET N N 30 119.297 119.319 -0.022 1
1 244 . 17 1 1 A 30 30 MET H H 30 7.502 7.653 -0.151 1
1 245 . 17 1 1 A 30 30 MET CA C 30 58.202 57.932 0.270 1
1 246 . 17 1 1 A 30 30 MET HA H 30 4.154 4.307 -0.153 1
1 247 . 17 1 1 A 30 30 MET CB C 30 32.390 32.013 0.377 1
1 255 . 17 1 1 A 30 30 MET C C 30 178.561 178.341 0.220 1
1 258 . 17 1 1 A 31 31 HIS N N 31 120.247 120.135 0.112 1
1 259 . 17 1 1 A 31 31 HIS H H 31 7.805 8.154 -0.349 1
1 260 . 17 1 1 A 31 31 HIS CA C 31 59.197 59.888 -0.691 1
1 261 . 17 1 1 A 31 31 HIS HA H 31 4.168 4.130 0.038 1
1 262 . 17 1 1 A 31 31 HIS CB C 31 28.173 29.633 -1.460 1
1 268 . 17 1 1 A 31 31 HIS C C 31 176.343 177.484 -1.141 1
1 270 . 17 1 1 A 32 32 GLN N N 32 115.288 118.519 -3.231 1
1 271 . 17 1 1 A 32 32 GLN H H 32 8.405 8.456 -0.051 1
1 272 . 17 1 1 A 32 32 GLN CA C 32 59.419 58.785 0.634 1
1 273 . 17 1 1 A 32 32 GLN HA H 32 3.692 3.929 -0.237 1
1 274 . 17 1 1 A 32 32 GLN CB C 32 28.474 28.456 0.018 1
1 281 . 17 1 1 A 32 32 GLN C C 32 177.514 177.948 -0.434 1
1 284 . 17 1 1 A 33 33 LYS N N 33 117.142 118.762 -1.620 1
1 285 . 17 1 1 A 33 33 LYS H H 33 7.103 7.743 -0.640 1
1 286 . 17 1 1 A 33 33 LYS CA C 33 58.467 57.948 0.519 1
1 287 . 17 1 1 A 33 33 LYS HA H 33 4.111 4.367 -0.256 1
1 288 . 17 1 1 A 33 33 LYS CB C 33 32.225 32.307 -0.082 1
1 296 . 17 1 1 A 33 33 LYS C C 33 178.784 178.946 -0.162 1
1 301 . 17 1 1 A 34 34 ILE N N 34 116.412 115.353 1.059 1
1 302 . 17 1 1 A 34 34 ILE H H 34 7.822 7.841 -0.019 1
1 303 . 17 1 1 A 34 34 ILE CA C 34 63.061 63.007 0.054 1
1 304 . 17 1 1 A 34 34 ILE HA H 34 3.975 3.877 0.098 1
1 305 . 17 1 1 A 34 34 ILE CB C 34 37.649 37.133 0.516 1
1 317 . 17 1 1 A 34 34 ILE C C 34 177.516 176.295 1.221 1
1 319 . 17 1 1 A 35 35 HIS N N 35 117.694 119.187 -1.493 1
1 320 . 17 1 1 A 35 35 HIS H H 35 7.194 7.478 -0.284 1
1 321 . 17 1 1 A 35 35 HIS CA C 35 55.301 57.067 -1.766 1
1 322 . 17 1 1 A 35 35 HIS HA H 35 4.846 4.576 0.270 1
1 323 . 17 1 1 A 35 35 HIS CB C 35 28.487 31.526 -3.039 1
1 329 . 17 1 1 A 35 35 HIS C C 35 175.812 177.139 -1.327 1
1 331 . 17 1 1 A 36 36 THR N N 36 111.822 112.956 -1.134 1
1 332 . 17 1 1 A 36 36 THR H H 36 7.763 8.138 -0.375 1
1 333 . 17 1 1 A 36 36 THR CA C 36 62.564 65.385 -2.821 1
1 334 . 17 1 1 A 36 36 THR HA H 36 4.350 3.964 0.386 1
1 335 . 17 1 1 A 36 36 THR CB C 36 69.813 68.025 1.788 1
1 341 . 17 1 1 A 36 36 THR C C 36 175.513 176.915 -1.402 1
1 342 . 17 1 1 A 37 37 GLY N N 37 110.617 110.569 0.048 1
1 343 . 17 1 1 A 37 37 GLY H H 37 8.212 7.826 0.386 1
1 344 . 17 1 1 A 37 37 GLY CA C 37 45.405 46.884 -1.479 1
1 345 . 17 1 1 A 37 37 GLY HA3 H 37 4.024 3.690 0.334 1
1 346 . 17 1 1 A 37 37 GLY C C 37 174.041 174.415 -0.374 1
1 347 . 17 1 1 A 37 37 GLY HA2 H 37 3.966 3.678 0.288 1
1 348 . 17 1 1 A 38 38 GLU N N 38 120.572 122.077 -1.505 1
1 349 . 17 1 1 A 38 38 GLU H H 38 8.097 8.088 0.009 1
1 350 . 17 1 1 A 38 38 GLU CA C 38 56.480 56.533 -0.053 1
1 351 . 17 1 1 A 38 38 GLU HA H 38 4.253 4.313 -0.060 1
1 352 . 17 1 1 A 38 38 GLU CB C 38 30.586 30.250 0.336 1
1 356 . 17 1 1 A 38 38 GLU C C 38 176.244 176.489 -0.245 1
1 359 . 17 1 1 A 39 39 LYS N N 39 123.658 125.044 -1.386 1
1 360 . 17 1 1 A 39 39 LYS H H 39 8.366 8.485 -0.119 1
1 361 . 17 1 1 A 39 39 LYS CA C 39 54.084 53.600 0.484 1
1 362 . 17 1 1 A 39 39 LYS HA H 39 4.614 4.734 -0.120 1
1 363 . 17 1 1 A 39 39 LYS CB C 39 32.557 32.035 0.522 1
1 371 . 17 1 1 A 39 39 LYS C C 39 174.505 174.324 0.181 1
1 376 . 17 1 1 A 40 40 PRO CA C 40 63.210 62.703 0.507 1
1 377 . 17 1 1 A 40 40 PRO HA H 40 4.466 4.699 -0.233 1
1 378 . 17 1 1 A 40 40 PRO CB C 40 32.186 32.925 -0.739 1
1 384 . 17 1 1 A 40 40 PRO C C 40 177.000 175.580 1.420 1
1 388 . 17 1 1 A 41 41 SER N N 41 116.449 116.882 -0.433 1
1 389 . 17 1 1 A 41 41 SER H H 41 8.466 8.539 -0.073 1
1 390 . 17 1 1 A 41 41 SER CA C 41 58.350 57.191 1.159 1
1 391 . 17 1 1 A 41 41 SER HA H 41 4.472 4.918 -0.446 1
1 392 . 17 1 1 A 41 41 SER CB C 41 64.016 64.303 -0.287 1
1 394 . 17 1 1 A 41 41 SER C C 41 174.682 173.767 0.915 1
1 396 . 17 1 1 A 42 42 GLY CA C 42 44.670 45.255 -0.585 1
1 397 . 17 1 1 A 42 42 GLY HA3 H 42 4.165 4.159 0.006 1
1 398 . 17 1 1 A 42 42 GLY HA2 H 42 4.109 4.158 -0.049 1
1 399 . 17 1 1 A 43 43 PRO CA C 43 63.265 62.716 0.549 1
1 400 . 17 1 1 A 43 43 PRO HA H 43 4.478 4.627 -0.149 1
1 401 . 17 1 1 A 43 43 PRO CB C 43 32.223 32.807 -0.584 1
1 410 . 17 1 1 A 45 45 SER CA C 45 58.389 61.428 -3.039 1
1 411 . 17 1 1 A 45 45 SER HA H 45 4.498 4.295 0.203 1
1 412 . 17 1 1 A 45 45 SER CB C 45 63.929 62.912 1.017 1
1 414 . 17 1 1 A 45 45 SER C C 45 173.909 176.983 -3.074 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.938 61.598 0.340 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.380 4.405 -0.025 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.802 69.712 0.090 1
1 9 . 18 1 1 A 9 9 GLY N N 9 110.579 108.989 1.590 1
1 10 . 18 1 1 A 9 9 GLY H H 9 8.211 8.594 -0.383 1
1 11 . 18 1 1 A 9 9 GLY CA C 9 45.481 46.128 -0.647 1
1 12 . 18 1 1 A 9 9 GLY C C 9 174.663 175.351 -0.688 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.996 3.910 0.086 1
1 14 . 18 1 1 A 10 10 GLY N N 10 108.571 113.467 -4.896 1
1 15 . 18 1 1 A 10 10 GLY H H 10 8.251 8.658 -0.407 1
1 16 . 18 1 1 A 10 10 GLY CA C 10 45.221 45.125 0.096 1
1 17 . 18 1 1 A 10 10 GLY HA3 H 10 3.899 4.018 -0.119 1
1 18 . 18 1 1 A 10 10 GLY C C 10 173.838 174.906 -1.068 1
1 19 . 18 1 1 A 10 10 GLY HA2 H 10 3.899 4.003 -0.104 1
1 20 . 18 1 1 A 11 11 LYS CA C 11 55.715 56.923 -1.208 1
1 21 . 18 1 1 A 11 11 LYS HA H 11 4.248 3.531 0.717 1
1 22 . 18 1 1 A 11 11 LYS CB C 11 32.944 29.491 3.453 1
1 30 . 18 1 1 A 11 11 LYS C C 11 175.376 174.834 0.542 1
1 35 . 18 1 1 A 12 12 HIS N N 12 119.464 115.634 3.830 1
1 36 . 18 1 1 A 12 12 HIS H H 12 7.756 7.503 0.253 1
1 37 . 18 1 1 A 12 12 HIS CA C 12 55.768 55.745 0.023 1
1 38 . 18 1 1 A 12 12 HIS HA H 12 4.590 4.640 -0.050 1
1 39 . 18 1 1 A 12 12 HIS CB C 12 31.837 30.802 1.035 1
1 45 . 18 1 1 A 12 12 HIS C C 12 173.771 174.036 -0.265 1
1 47 . 18 1 1 A 13 13 PHE N N 13 121.351 120.350 1.001 1
1 48 . 18 1 1 A 13 13 PHE H H 13 8.608 9.288 -0.680 1
1 49 . 18 1 1 A 13 13 PHE CA C 13 57.043 57.050 -0.007 1
1 50 . 18 1 1 A 13 13 PHE HA H 13 4.695 5.065 -0.370 1
1 51 . 18 1 1 A 13 13 PHE CB C 13 40.358 40.817 -0.459 1
1 63 . 18 1 1 A 13 13 PHE C C 13 174.660 174.967 -0.307 1
1 65 . 18 1 1 A 14 14 GLU N N 14 123.701 124.421 -0.720 1
1 66 . 18 1 1 A 14 14 GLU H H 14 8.703 9.089 -0.386 1
1 67 . 18 1 1 A 14 14 GLU CA C 14 55.192 55.337 -0.145 1
1 68 . 18 1 1 A 14 14 GLU HA H 14 4.930 5.405 -0.475 1
1 69 . 18 1 1 A 14 14 GLU CB C 14 32.782 31.601 1.181 1
1 73 . 18 1 1 A 14 14 GLU C C 14 175.204 176.575 -1.371 1
1 76 . 18 1 1 A 15 15 CYS N N 15 126.235 124.158 2.077 1
1 77 . 18 1 1 A 15 15 CYS H H 15 9.225 9.188 0.037 1
1 78 . 18 1 1 A 15 15 CYS CA C 15 59.373 58.914 0.459 1
1 79 . 18 1 1 A 15 15 CYS HA H 15 4.675 4.763 -0.088 1
1 80 . 18 1 1 A 15 15 CYS CB C 15 29.593 28.343 1.250 1
1 82 . 18 1 1 A 15 15 CYS C C 15 177.738 176.458 1.280 1
1 84 . 18 1 1 A 16 16 THR N N 16 111.509 121.461 -9.952 1
1 85 . 18 1 1 A 16 16 THR H H 16 8.979 8.606 0.373 1
1 86 . 18 1 1 A 16 16 THR CA C 16 64.511 65.529 -1.018 1
1 87 . 18 1 1 A 16 16 THR HA H 16 4.164 4.095 0.069 1
1 88 . 18 1 1 A 16 16 THR CB C 16 68.647 68.828 -0.181 1
1 94 . 18 1 1 A 16 16 THR C C 16 175.013 176.497 -1.484 1
1 95 . 18 1 1 A 17 17 GLU N N 17 122.589 120.005 2.584 1
1 96 . 18 1 1 A 17 17 GLU H H 17 8.635 7.743 0.892 1
1 97 . 18 1 1 A 17 17 GLU CA C 17 58.162 59.058 -0.896 1
1 98 . 18 1 1 A 17 17 GLU HA H 17 4.239 4.002 0.237 1
1 99 . 18 1 1 A 17 17 GLU CB C 17 29.496 29.523 -0.027 1
1 103 . 18 1 1 A 17 17 GLU C C 17 177.246 178.166 -0.920 1
1 106 . 18 1 1 A 18 18 CYS N N 18 114.562 114.725 -0.163 1
1 107 . 18 1 1 A 18 18 CYS H H 18 7.910 7.697 0.213 1
1 108 . 18 1 1 A 18 18 CYS CA C 18 58.391 59.652 -1.261 1
1 109 . 18 1 1 A 18 18 CYS HA H 18 5.164 4.519 0.645 1
1 110 . 18 1 1 A 18 18 CYS CB C 18 32.468 29.450 3.018 1
1 112 . 18 1 1 A 18 18 CYS C C 18 176.262 175.155 1.107 1
1 114 . 18 1 1 A 19 19 GLY N N 19 113.487 110.323 3.164 1
1 115 . 18 1 1 A 19 19 GLY H H 19 8.165 8.142 0.023 1
1 116 . 18 1 1 A 19 19 GLY CA C 19 46.214 45.059 1.155 1
1 117 . 18 1 1 A 19 19 GLY HA3 H 19 3.886 4.086 -0.200 1
1 118 . 18 1 1 A 19 19 GLY C C 19 173.798 174.555 -0.757 1
1 119 . 18 1 1 A 19 19 GLY HA2 H 19 4.214 4.062 0.152 1
1 120 . 18 1 1 A 20 20 LYS N N 20 122.564 122.588 -0.024 1
1 121 . 18 1 1 A 20 20 LYS H H 20 7.884 7.688 0.196 1
1 122 . 18 1 1 A 20 20 LYS CA C 20 57.974 55.957 2.017 1
1 123 . 18 1 1 A 20 20 LYS HA H 20 3.962 4.209 -0.247 1
1 124 . 18 1 1 A 20 20 LYS CB C 20 33.877 33.035 0.842 1
1 132 . 18 1 1 A 20 20 LYS C C 20 173.740 175.931 -2.191 1
1 137 . 18 1 1 A 21 21 ALA N N 21 123.364 128.408 -5.044 1
1 138 . 18 1 1 A 21 21 ALA H H 21 7.839 8.485 -0.646 1
1 139 . 18 1 1 A 21 21 ALA CA C 21 50.556 50.376 0.180 1
1 140 . 18 1 1 A 21 21 ALA HA H 21 4.987 5.344 -0.357 1
1 141 . 18 1 1 A 21 21 ALA CB C 21 21.924 20.709 1.215 1
1 145 . 18 1 1 A 21 21 ALA C C 21 176.349 176.337 0.012 1
1 146 . 18 1 1 A 22 22 PHE N N 22 117.458 119.506 -2.048 1
1 147 . 18 1 1 A 22 22 PHE H H 22 8.633 9.640 -1.007 1
1 148 . 18 1 1 A 22 22 PHE CA C 22 57.005 56.550 0.455 1
1 149 . 18 1 1 A 22 22 PHE HA H 22 4.855 5.055 -0.200 1
1 150 . 18 1 1 A 22 22 PHE CB C 22 43.656 42.451 1.205 1
1 162 . 18 1 1 A 22 22 PHE C C 22 175.978 176.175 -0.197 1
1 164 . 18 1 1 A 23 23 THR CA C 23 62.840 63.032 -0.192 1
1 165 . 18 1 1 A 23 23 THR HA H 23 4.615 4.600 0.015 1
1 166 . 18 1 1 A 23 23 THR CB C 23 69.738 69.512 0.226 1
1 172 . 18 1 1 A 23 23 THR C C 23 174.588 174.115 0.473 1
1 173 . 18 1 1 A 24 24 ARG N N 24 117.287 121.001 -3.714 1
1 174 . 18 1 1 A 24 24 ARG H H 24 7.306 7.678 -0.372 1
1 175 . 18 1 1 A 24 24 ARG CA C 24 54.452 54.570 -0.118 1
1 176 . 18 1 1 A 24 24 ARG HA H 24 4.703 4.780 -0.077 1
1 177 . 18 1 1 A 24 24 ARG CB C 24 33.863 33.193 0.670 1
1 183 . 18 1 1 A 24 24 ARG C C 24 175.439 176.031 -0.592 1
1 187 . 18 1 1 A 25 25 LYS CA C 25 59.205 58.879 0.326 1
1 188 . 18 1 1 A 25 25 LYS HA H 25 3.150 3.291 -0.141 1
1 189 . 18 1 1 A 25 25 LYS CB C 25 31.728 31.626 0.102 1
1 200 . 18 1 1 A 26 26 SER CA C 26 60.817 61.386 -0.569 1
1 201 . 18 1 1 A 26 26 SER HA H 26 4.043 4.128 -0.085 1
1 202 . 18 1 1 A 26 26 SER CB C 26 61.472 62.383 -0.911 1
1 204 . 18 1 1 A 26 26 SER C C 26 177.205 177.286 -0.081 1
1 206 . 18 1 1 A 27 27 THR N N 27 117.923 116.958 0.965 1
1 207 . 18 1 1 A 27 27 THR H H 27 6.917 7.764 -0.847 1
1 208 . 18 1 1 A 27 27 THR CA C 27 65.095 67.016 -1.921 1
1 209 . 18 1 1 A 27 27 THR HA H 27 3.923 3.906 0.017 1
1 210 . 18 1 1 A 27 27 THR CB C 27 67.872 68.645 -0.773 1
1 216 . 18 1 1 A 27 27 THR C C 27 176.713 175.954 0.759 1
1 217 . 18 1 1 A 28 28 LEU N N 28 123.790 121.292 2.498 1
1 218 . 18 1 1 A 28 28 LEU H H 28 7.141 7.883 -0.742 1
1 219 . 18 1 1 A 28 28 LEU CA C 28 58.267 57.445 0.822 1
1 220 . 18 1 1 A 28 28 LEU HA H 28 3.229 3.002 0.227 1
1 221 . 18 1 1 A 28 28 LEU CB C 28 40.123 41.075 -0.952 1
1 233 . 18 1 1 A 28 28 LEU C C 28 177.782 178.358 -0.576 1
1 235 . 18 1 1 A 29 29 SER N N 29 114.756 115.524 -0.768 1
1 236 . 18 1 1 A 29 29 SER H H 29 8.465 7.548 0.917 1
1 237 . 18 1 1 A 29 29 SER CA C 29 61.832 61.707 0.125 1
1 238 . 18 1 1 A 29 29 SER HA H 29 4.255 4.165 0.090 1
1 239 . 18 1 1 A 29 29 SER CB C 29 62.537 63.119 -0.582 1
1 241 . 18 1 1 A 29 29 SER C C 29 177.070 176.133 0.937 1
1 243 . 18 1 1 A 30 30 MET N N 30 119.297 119.724 -0.427 1
1 244 . 18 1 1 A 30 30 MET H H 30 7.502 7.647 -0.145 1
1 245 . 18 1 1 A 30 30 MET CA C 30 58.202 57.611 0.591 1
1 246 . 18 1 1 A 30 30 MET HA H 30 4.154 4.371 -0.217 1
1 247 . 18 1 1 A 30 30 MET CB C 30 32.390 32.599 -0.209 1
1 255 . 18 1 1 A 30 30 MET C C 30 178.561 178.274 0.287 1
1 258 . 18 1 1 A 31 31 HIS N N 31 120.247 120.523 -0.276 1
1 259 . 18 1 1 A 31 31 HIS H H 31 7.805 8.042 -0.237 1
1 260 . 18 1 1 A 31 31 HIS CA C 31 59.197 59.646 -0.449 1
1 261 . 18 1 1 A 31 31 HIS HA H 31 4.168 4.138 0.030 1
1 262 . 18 1 1 A 31 31 HIS CB C 31 28.173 29.869 -1.696 1
1 268 . 18 1 1 A 31 31 HIS C C 31 176.343 177.647 -1.304 1
1 270 . 18 1 1 A 32 32 GLN N N 32 115.288 118.372 -3.084 1
1 271 . 18 1 1 A 32 32 GLN H H 32 8.405 8.667 -0.262 1
1 272 . 18 1 1 A 32 32 GLN CA C 32 59.419 58.692 0.727 1
1 273 . 18 1 1 A 32 32 GLN HA H 32 3.692 4.066 -0.374 1
1 274 . 18 1 1 A 32 32 GLN CB C 32 28.474 28.425 0.049 1
1 281 . 18 1 1 A 32 32 GLN C C 32 177.514 177.589 -0.075 1
1 284 . 18 1 1 A 33 33 LYS N N 33 117.142 118.457 -1.315 1
1 285 . 18 1 1 A 33 33 LYS H H 33 7.103 7.863 -0.760 1
1 286 . 18 1 1 A 33 33 LYS CA C 33 58.467 57.821 0.646 1
1 287 . 18 1 1 A 33 33 LYS HA H 33 4.111 4.059 0.052 1
1 288 . 18 1 1 A 33 33 LYS CB C 33 32.225 32.224 0.001 1
1 296 . 18 1 1 A 33 33 LYS C C 33 178.784 178.945 -0.161 1
1 301 . 18 1 1 A 34 34 ILE N N 34 116.412 115.129 1.283 1
1 302 . 18 1 1 A 34 34 ILE H H 34 7.822 7.962 -0.140 1
1 303 . 18 1 1 A 34 34 ILE CA C 34 63.061 62.855 0.206 1
1 304 . 18 1 1 A 34 34 ILE HA H 34 3.975 3.854 0.121 1
1 305 . 18 1 1 A 34 34 ILE CB C 34 37.649 37.126 0.523 1
1 317 . 18 1 1 A 34 34 ILE C C 34 177.516 176.219 1.297 1
1 319 . 18 1 1 A 35 35 HIS N N 35 117.694 119.779 -2.085 1
1 320 . 18 1 1 A 35 35 HIS H H 35 7.194 7.666 -0.472 1
1 321 . 18 1 1 A 35 35 HIS CA C 35 55.301 55.324 -0.023 1
1 322 . 18 1 1 A 35 35 HIS HA H 35 4.846 4.769 0.077 1
1 323 . 18 1 1 A 35 35 HIS CB C 35 28.487 29.706 -1.219 1
1 329 . 18 1 1 A 35 35 HIS C C 35 175.812 175.405 0.407 1
1 331 . 18 1 1 A 36 36 THR N N 36 111.822 109.225 2.597 1
1 332 . 18 1 1 A 36 36 THR H H 36 7.763 7.358 0.405 1
1 333 . 18 1 1 A 36 36 THR CA C 36 62.564 61.539 1.025 1
1 334 . 18 1 1 A 36 36 THR HA H 36 4.350 4.548 -0.198 1
1 335 . 18 1 1 A 36 36 THR CB C 36 69.813 69.309 0.504 1
1 341 . 18 1 1 A 36 36 THR C C 36 175.513 175.203 0.310 1
1 342 . 18 1 1 A 37 37 GLY N N 37 110.617 109.800 0.817 1
1 343 . 18 1 1 A 37 37 GLY H H 37 8.212 7.886 0.326 1
1 344 . 18 1 1 A 37 37 GLY CA C 37 45.405 45.839 -0.434 1
1 345 . 18 1 1 A 37 37 GLY HA3 H 37 4.024 4.010 0.014 1
1 346 . 18 1 1 A 37 37 GLY C C 37 174.041 174.087 -0.046 1
1 347 . 18 1 1 A 37 37 GLY HA2 H 37 3.966 4.001 -0.035 1
1 348 . 18 1 1 A 38 38 GLU N N 38 120.572 120.481 0.091 1
1 349 . 18 1 1 A 38 38 GLU H H 38 8.097 7.713 0.384 1
1 350 . 18 1 1 A 38 38 GLU CA C 38 56.480 56.772 -0.292 1
1 351 . 18 1 1 A 38 38 GLU HA H 38 4.253 4.306 -0.053 1
1 352 . 18 1 1 A 38 38 GLU CB C 38 30.586 30.932 -0.346 1
1 356 . 18 1 1 A 38 38 GLU C C 38 176.244 175.836 0.408 1
1 359 . 18 1 1 A 39 39 LYS N N 39 123.658 121.254 2.404 1
1 360 . 18 1 1 A 39 39 LYS H H 39 8.366 8.472 -0.106 1
1 361 . 18 1 1 A 39 39 LYS CA C 39 54.084 53.598 0.486 1
1 362 . 18 1 1 A 39 39 LYS HA H 39 4.614 5.035 -0.421 1
1 363 . 18 1 1 A 39 39 LYS CB C 39 32.557 33.126 -0.569 1
1 371 . 18 1 1 A 39 39 LYS C C 39 174.505 175.172 -0.667 1
1 376 . 18 1 1 A 40 40 PRO CA C 40 63.210 64.163 -0.953 1
1 377 . 18 1 1 A 40 40 PRO HA H 40 4.466 4.446 0.020 1
1 378 . 18 1 1 A 40 40 PRO CB C 40 32.186 31.905 0.281 1
1 384 . 18 1 1 A 40 40 PRO C C 40 177.000 177.411 -0.411 1
1 388 . 18 1 1 A 41 41 SER N N 41 116.449 113.072 3.377 1
1 389 . 18 1 1 A 41 41 SER H H 41 8.466 8.150 0.316 1
1 390 . 18 1 1 A 41 41 SER CA C 41 58.350 61.087 -2.737 1
1 391 . 18 1 1 A 41 41 SER HA H 41 4.472 4.209 0.263 1
1 392 . 18 1 1 A 41 41 SER CB C 41 64.016 63.161 0.855 1
1 394 . 18 1 1 A 41 41 SER C C 41 174.682 175.551 -0.869 1
1 396 . 18 1 1 A 42 42 GLY CA C 42 44.670 44.075 0.595 1
1 397 . 18 1 1 A 42 42 GLY HA3 H 42 4.165 4.048 0.117 1
1 398 . 18 1 1 A 42 42 GLY HA2 H 42 4.109 4.047 0.062 1
1 399 . 18 1 1 A 43 43 PRO CA C 43 63.265 62.695 0.570 1
1 400 . 18 1 1 A 43 43 PRO HA H 43 4.478 4.615 -0.137 1
1 401 . 18 1 1 A 43 43 PRO CB C 43 32.223 33.408 -1.185 1
1 410 . 18 1 1 A 45 45 SER CA C 45 58.389 59.537 -1.148 1
1 411 . 18 1 1 A 45 45 SER HA H 45 4.498 4.325 0.173 1
1 412 . 18 1 1 A 45 45 SER CB C 45 63.929 62.942 0.987 1
1 414 . 18 1 1 A 45 45 SER C C 45 173.909 174.971 -1.062 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.938 61.022 0.916 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.380 4.453 -0.073 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.802 68.161 1.641 1
1 9 . 19 1 1 A 9 9 GLY N N 9 110.579 110.074 0.505 1
1 10 . 19 1 1 A 9 9 GLY H H 9 8.211 7.926 0.285 1
1 11 . 19 1 1 A 9 9 GLY CA C 9 45.481 44.574 0.907 1
1 12 . 19 1 1 A 9 9 GLY C C 9 174.663 173.109 1.554 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.996 4.186 -0.190 1
1 14 . 19 1 1 A 10 10 GLY N N 10 108.571 107.706 0.865 1
1 15 . 19 1 1 A 10 10 GLY H H 10 8.251 8.636 -0.385 1
1 16 . 19 1 1 A 10 10 GLY CA C 10 45.221 45.508 -0.287 1
1 17 . 19 1 1 A 10 10 GLY HA3 H 10 3.899 4.266 -0.367 1
1 18 . 19 1 1 A 10 10 GLY C C 10 173.838 174.541 -0.703 1
1 19 . 19 1 1 A 10 10 GLY HA2 H 10 3.899 4.266 -0.367 1
1 20 . 19 1 1 A 11 11 LYS CA C 11 55.715 55.642 0.073 1
1 21 . 19 1 1 A 11 11 LYS HA H 11 4.248 4.272 -0.024 1
1 22 . 19 1 1 A 11 11 LYS CB C 11 32.944 31.965 0.979 1
1 30 . 19 1 1 A 11 11 LYS C C 11 175.376 175.569 -0.193 1
1 35 . 19 1 1 A 12 12 HIS N N 12 119.464 116.948 2.516 1
1 36 . 19 1 1 A 12 12 HIS H H 12 7.756 7.613 0.143 1
1 37 . 19 1 1 A 12 12 HIS CA C 12 55.768 55.809 -0.041 1
1 38 . 19 1 1 A 12 12 HIS HA H 12 4.590 4.726 -0.136 1
1 39 . 19 1 1 A 12 12 HIS CB C 12 31.837 30.604 1.233 1
1 45 . 19 1 1 A 12 12 HIS C C 12 173.771 174.977 -1.206 1
1 47 . 19 1 1 A 13 13 PHE N N 13 121.351 121.995 -0.644 1
1 48 . 19 1 1 A 13 13 PHE H H 13 8.608 9.184 -0.576 1
1 49 . 19 1 1 A 13 13 PHE CA C 13 57.043 57.337 -0.294 1
1 50 . 19 1 1 A 13 13 PHE HA H 13 4.695 4.983 -0.288 1
1 51 . 19 1 1 A 13 13 PHE CB C 13 40.358 40.695 -0.337 1
1 63 . 19 1 1 A 13 13 PHE C C 13 174.660 174.932 -0.272 1
1 65 . 19 1 1 A 14 14 GLU N N 14 123.701 124.685 -0.984 1
1 66 . 19 1 1 A 14 14 GLU H H 14 8.703 9.006 -0.303 1
1 67 . 19 1 1 A 14 14 GLU CA C 14 55.192 55.111 0.081 1
1 68 . 19 1 1 A 14 14 GLU HA H 14 4.930 5.224 -0.294 1
1 69 . 19 1 1 A 14 14 GLU CB C 14 32.782 32.046 0.736 1
1 73 . 19 1 1 A 14 14 GLU C C 14 175.204 176.594 -1.390 1
1 76 . 19 1 1 A 15 15 CYS N N 15 126.235 125.461 0.774 1
1 77 . 19 1 1 A 15 15 CYS H H 15 9.225 9.393 -0.168 1
1 78 . 19 1 1 A 15 15 CYS CA C 15 59.373 60.431 -1.058 1
1 79 . 19 1 1 A 15 15 CYS HA H 15 4.675 4.615 0.060 1
1 80 . 19 1 1 A 15 15 CYS CB C 15 29.593 29.046 0.547 1
1 82 . 19 1 1 A 15 15 CYS C C 15 177.738 176.040 1.698 1
1 84 . 19 1 1 A 16 16 THR N N 16 111.509 122.048 -10.539 1
1 85 . 19 1 1 A 16 16 THR H H 16 8.979 8.873 0.106 1
1 86 . 19 1 1 A 16 16 THR CA C 16 64.511 62.290 2.221 1
1 87 . 19 1 1 A 16 16 THR HA H 16 4.164 4.513 -0.349 1
1 88 . 19 1 1 A 16 16 THR CB C 16 68.647 68.373 0.274 1
1 94 . 19 1 1 A 16 16 THR C C 16 175.013 174.793 0.220 1
1 95 . 19 1 1 A 17 17 GLU N N 17 122.589 120.466 2.123 1
1 96 . 19 1 1 A 17 17 GLU H H 17 8.635 8.098 0.537 1
1 97 . 19 1 1 A 17 17 GLU CA C 17 58.162 57.106 1.056 1
1 98 . 19 1 1 A 17 17 GLU HA H 17 4.239 4.421 -0.182 1
1 99 . 19 1 1 A 17 17 GLU CB C 17 29.496 31.555 -2.059 1
1 103 . 19 1 1 A 17 17 GLU C C 17 177.246 177.688 -0.442 1
1 106 . 19 1 1 A 18 18 CYS N N 18 114.562 114.509 0.053 1
1 107 . 19 1 1 A 18 18 CYS H H 18 7.910 8.152 -0.242 1
1 108 . 19 1 1 A 18 18 CYS CA C 18 58.391 59.523 -1.132 1
1 109 . 19 1 1 A 18 18 CYS HA H 18 5.164 4.664 0.500 1
1 110 . 19 1 1 A 18 18 CYS CB C 18 32.468 30.001 2.467 1
1 112 . 19 1 1 A 18 18 CYS C C 18 176.262 175.452 0.810 1
1 114 . 19 1 1 A 19 19 GLY N N 19 113.487 110.303 3.184 1
1 115 . 19 1 1 A 19 19 GLY H H 19 8.165 8.292 -0.127 1
1 116 . 19 1 1 A 19 19 GLY CA C 19 46.214 45.294 0.920 1
1 117 . 19 1 1 A 19 19 GLY HA3 H 19 3.886 4.081 -0.195 1
1 118 . 19 1 1 A 19 19 GLY C C 19 173.798 174.439 -0.641 1
1 119 . 19 1 1 A 19 19 GLY HA2 H 19 4.214 4.057 0.157 1
1 120 . 19 1 1 A 20 20 LYS N N 20 122.564 122.223 0.341 1
1 121 . 19 1 1 A 20 20 LYS H H 20 7.884 7.697 0.187 1
1 122 . 19 1 1 A 20 20 LYS CA C 20 57.974 55.554 2.420 1
1 123 . 19 1 1 A 20 20 LYS HA H 20 3.962 4.296 -0.334 1
1 124 . 19 1 1 A 20 20 LYS CB C 20 33.877 32.962 0.915 1
1 132 . 19 1 1 A 20 20 LYS C C 20 173.740 175.870 -2.130 1
1 137 . 19 1 1 A 21 21 ALA N N 21 123.364 128.872 -5.508 1
1 138 . 19 1 1 A 21 21 ALA H H 21 7.839 8.468 -0.629 1
1 139 . 19 1 1 A 21 21 ALA CA C 21 50.556 50.777 -0.221 1
1 140 . 19 1 1 A 21 21 ALA HA H 21 4.987 5.269 -0.282 1
1 141 . 19 1 1 A 21 21 ALA CB C 21 21.924 20.642 1.282 1
1 145 . 19 1 1 A 21 21 ALA C C 21 176.349 176.474 -0.125 1
1 146 . 19 1 1 A 22 22 PHE N N 22 117.458 119.151 -1.693 1
1 147 . 19 1 1 A 22 22 PHE H H 22 8.633 9.490 -0.857 1
1 148 . 19 1 1 A 22 22 PHE CA C 22 57.005 56.783 0.222 1
1 149 . 19 1 1 A 22 22 PHE HA H 22 4.855 5.089 -0.234 1
1 150 . 19 1 1 A 22 22 PHE CB C 22 43.656 42.136 1.520 1
1 162 . 19 1 1 A 22 22 PHE C C 22 175.978 176.094 -0.116 1
1 164 . 19 1 1 A 23 23 THR CA C 23 62.840 63.460 -0.620 1
1 165 . 19 1 1 A 23 23 THR HA H 23 4.615 4.603 0.012 1
1 166 . 19 1 1 A 23 23 THR CB C 23 69.738 69.144 0.594 1
1 172 . 19 1 1 A 23 23 THR C C 23 174.588 174.127 0.461 1
1 173 . 19 1 1 A 24 24 ARG N N 24 117.287 121.273 -3.986 1
1 174 . 19 1 1 A 24 24 ARG H H 24 7.306 7.725 -0.419 1
1 175 . 19 1 1 A 24 24 ARG CA C 24 54.452 54.405 0.047 1
1 176 . 19 1 1 A 24 24 ARG HA H 24 4.703 4.691 0.012 1
1 177 . 19 1 1 A 24 24 ARG CB C 24 33.863 32.039 1.824 1
1 183 . 19 1 1 A 24 24 ARG C C 24 175.439 175.945 -0.506 1
1 187 . 19 1 1 A 25 25 LYS CA C 25 59.205 59.533 -0.328 1
1 188 . 19 1 1 A 25 25 LYS HA H 25 3.150 3.321 -0.171 1
1 189 . 19 1 1 A 25 25 LYS CB C 25 31.728 31.527 0.201 1
1 200 . 19 1 1 A 26 26 SER CA C 26 60.817 61.369 -0.552 1
1 201 . 19 1 1 A 26 26 SER HA H 26 4.043 4.094 -0.051 1
1 202 . 19 1 1 A 26 26 SER CB C 26 61.472 62.294 -0.822 1
1 204 . 19 1 1 A 26 26 SER C C 26 177.205 177.026 0.179 1
1 206 . 19 1 1 A 27 27 THR N N 27 117.923 117.126 0.797 1
1 207 . 19 1 1 A 27 27 THR H H 27 6.917 7.840 -0.923 1
1 208 . 19 1 1 A 27 27 THR CA C 27 65.095 67.250 -2.155 1
1 209 . 19 1 1 A 27 27 THR HA H 27 3.923 3.860 0.063 1
1 210 . 19 1 1 A 27 27 THR CB C 27 67.872 69.004 -1.132 1
1 216 . 19 1 1 A 27 27 THR C C 27 176.713 176.063 0.650 1
1 217 . 19 1 1 A 28 28 LEU N N 28 123.790 121.154 2.636 1
1 218 . 19 1 1 A 28 28 LEU H H 28 7.141 7.907 -0.766 1
1 219 . 19 1 1 A 28 28 LEU CA C 28 58.267 57.456 0.811 1
1 220 . 19 1 1 A 28 28 LEU HA H 28 3.229 2.739 0.490 1
1 221 . 19 1 1 A 28 28 LEU CB C 28 40.123 41.245 -1.122 1
1 233 . 19 1 1 A 28 28 LEU C C 28 177.782 178.174 -0.392 1
1 235 . 19 1 1 A 29 29 SER N N 29 114.756 114.163 0.593 1
1 236 . 19 1 1 A 29 29 SER H H 29 8.465 7.835 0.630 1
1 237 . 19 1 1 A 29 29 SER CA C 29 61.832 61.283 0.549 1
1 238 . 19 1 1 A 29 29 SER HA H 29 4.255 4.018 0.237 1
1 239 . 19 1 1 A 29 29 SER CB C 29 62.537 62.941 -0.404 1
1 241 . 19 1 1 A 29 29 SER C C 29 177.070 176.431 0.639 1
1 243 . 19 1 1 A 30 30 MET N N 30 119.297 119.303 -0.006 1
1 244 . 19 1 1 A 30 30 MET H H 30 7.502 7.901 -0.399 1
1 245 . 19 1 1 A 30 30 MET CA C 30 58.202 57.739 0.463 1
1 246 . 19 1 1 A 30 30 MET HA H 30 4.154 4.315 -0.161 1
1 247 . 19 1 1 A 30 30 MET CB C 30 32.390 32.011 0.379 1
1 255 . 19 1 1 A 30 30 MET C C 30 178.561 178.334 0.227 1
1 258 . 19 1 1 A 31 31 HIS N N 31 120.247 120.616 -0.369 1
1 259 . 19 1 1 A 31 31 HIS H H 31 7.805 8.104 -0.299 1
1 260 . 19 1 1 A 31 31 HIS CA C 31 59.197 59.611 -0.414 1
1 261 . 19 1 1 A 31 31 HIS HA H 31 4.168 4.179 -0.011 1
1 262 . 19 1 1 A 31 31 HIS CB C 31 28.173 29.817 -1.644 1
1 268 . 19 1 1 A 31 31 HIS C C 31 176.343 177.264 -0.921 1
1 270 . 19 1 1 A 32 32 GLN N N 32 115.288 117.908 -2.620 1
1 271 . 19 1 1 A 32 32 GLN H H 32 8.405 8.400 0.005 1
1 272 . 19 1 1 A 32 32 GLN CA C 32 59.419 58.918 0.501 1
1 273 . 19 1 1 A 32 32 GLN HA H 32 3.692 3.846 -0.154 1
1 274 . 19 1 1 A 32 32 GLN CB C 32 28.474 28.263 0.211 1
1 281 . 19 1 1 A 32 32 GLN C C 32 177.514 178.564 -1.050 1
1 284 . 19 1 1 A 33 33 LYS N N 33 117.142 119.370 -2.228 1
1 285 . 19 1 1 A 33 33 LYS H H 33 7.103 7.799 -0.696 1
1 286 . 19 1 1 A 33 33 LYS CA C 33 58.467 58.766 -0.299 1
1 287 . 19 1 1 A 33 33 LYS HA H 33 4.111 4.003 0.108 1
1 288 . 19 1 1 A 33 33 LYS CB C 33 32.225 32.090 0.135 1
1 296 . 19 1 1 A 33 33 LYS C C 33 178.784 179.232 -0.448 1
1 301 . 19 1 1 A 34 34 ILE N N 34 116.412 116.980 -0.568 1
1 302 . 19 1 1 A 34 34 ILE H H 34 7.822 7.777 0.045 1
1 303 . 19 1 1 A 34 34 ILE CA C 34 63.061 64.085 -1.024 1
1 304 . 19 1 1 A 34 34 ILE HA H 34 3.975 3.719 0.256 1
1 305 . 19 1 1 A 34 34 ILE CB C 34 37.649 37.028 0.621 1
1 317 . 19 1 1 A 34 34 ILE C C 34 177.516 177.711 -0.195 1
1 319 . 19 1 1 A 35 35 HIS N N 35 117.694 120.337 -2.643 1
1 320 . 19 1 1 A 35 35 HIS H H 35 7.194 7.797 -0.603 1
1 321 . 19 1 1 A 35 35 HIS CA C 35 55.301 59.370 -4.069 1
1 322 . 19 1 1 A 35 35 HIS HA H 35 4.846 4.372 0.474 1
1 323 . 19 1 1 A 35 35 HIS CB C 35 28.487 31.374 -2.887 1
1 329 . 19 1 1 A 35 35 HIS C C 35 175.812 176.227 -0.415 1
1 331 . 19 1 1 A 36 36 THR N N 36 111.822 113.935 -2.113 1
1 332 . 19 1 1 A 36 36 THR H H 36 7.763 7.564 0.199 1
1 333 . 19 1 1 A 36 36 THR CA C 36 62.564 62.673 -0.109 1
1 334 . 19 1 1 A 36 36 THR HA H 36 4.350 4.335 0.015 1
1 335 . 19 1 1 A 36 36 THR CB C 36 69.813 69.300 0.513 1
1 341 . 19 1 1 A 36 36 THR C C 36 175.513 175.666 -0.153 1
1 342 . 19 1 1 A 37 37 GLY N N 37 110.617 110.043 0.574 1
1 343 . 19 1 1 A 37 37 GLY H H 37 8.212 7.886 0.326 1
1 344 . 19 1 1 A 37 37 GLY CA C 37 45.405 45.511 -0.106 1
1 345 . 19 1 1 A 37 37 GLY HA3 H 37 4.024 4.052 -0.028 1
1 346 . 19 1 1 A 37 37 GLY C C 37 174.041 173.799 0.242 1
1 347 . 19 1 1 A 37 37 GLY HA2 H 37 3.966 4.038 -0.072 1
1 348 . 19 1 1 A 38 38 GLU N N 38 120.572 118.383 2.189 1
1 349 . 19 1 1 A 38 38 GLU H H 38 8.097 8.065 0.032 1
1 350 . 19 1 1 A 38 38 GLU CA C 38 56.480 55.855 0.625 1
1 351 . 19 1 1 A 38 38 GLU HA H 38 4.253 4.843 -0.590 1
1 352 . 19 1 1 A 38 38 GLU CB C 38 30.586 31.173 -0.587 1
1 356 . 19 1 1 A 38 38 GLU C C 38 176.244 175.775 0.469 1
1 359 . 19 1 1 A 39 39 LYS N N 39 123.658 121.056 2.602 1
1 360 . 19 1 1 A 39 39 LYS H H 39 8.366 9.038 -0.672 1
1 361 . 19 1 1 A 39 39 LYS CA C 39 54.084 53.843 0.241 1
1 362 . 19 1 1 A 39 39 LYS HA H 39 4.614 4.980 -0.366 1
1 363 . 19 1 1 A 39 39 LYS CB C 39 32.557 35.723 -3.166 1
1 371 . 19 1 1 A 39 39 LYS C C 39 174.505 173.788 0.717 1
1 376 . 19 1 1 A 40 40 PRO CA C 40 63.210 62.290 0.920 1
1 377 . 19 1 1 A 40 40 PRO HA H 40 4.466 4.555 -0.089 1
1 378 . 19 1 1 A 40 40 PRO CB C 40 32.186 32.643 -0.457 1
1 384 . 19 1 1 A 40 40 PRO C C 40 177.000 177.616 -0.616 1
1 388 . 19 1 1 A 41 41 SER N N 41 116.449 117.187 -0.738 1
1 389 . 19 1 1 A 41 41 SER H H 41 8.466 8.751 -0.285 1
1 390 . 19 1 1 A 41 41 SER CA C 41 58.350 62.112 -3.762 1
1 391 . 19 1 1 A 41 41 SER HA H 41 4.472 4.102 0.370 1
1 392 . 19 1 1 A 41 41 SER CB C 41 64.016 63.045 0.971 1
1 394 . 19 1 1 A 41 41 SER C C 41 174.682 175.965 -1.283 1
1 396 . 19 1 1 A 42 42 GLY CA C 42 44.670 43.965 0.705 1
1 397 . 19 1 1 A 42 42 GLY HA3 H 42 4.165 4.058 0.107 1
1 398 . 19 1 1 A 42 42 GLY HA2 H 42 4.109 4.058 0.051 1
1 399 . 19 1 1 A 43 43 PRO CA C 43 63.265 62.771 0.494 1
1 400 . 19 1 1 A 43 43 PRO HA H 43 4.478 4.626 -0.148 1
1 401 . 19 1 1 A 43 43 PRO CB C 43 32.223 32.691 -0.468 1
1 410 . 19 1 1 A 45 45 SER CA C 45 58.389 56.807 1.582 1
1 411 . 19 1 1 A 45 45 SER HA H 45 4.498 5.516 -1.018 1
1 412 . 19 1 1 A 45 45 SER CB C 45 63.929 66.710 -2.781 1
1 414 . 19 1 1 A 45 45 SER C C 45 173.909 172.879 1.030 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.938 60.807 1.131 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.380 4.528 -0.148 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.802 69.513 0.289 1
1 9 . 20 1 1 A 9 9 GLY N N 9 110.579 110.529 0.050 1
1 10 . 20 1 1 A 9 9 GLY H H 9 8.211 7.873 0.338 1
1 11 . 20 1 1 A 9 9 GLY CA C 9 45.481 45.021 0.460 1
1 12 . 20 1 1 A 9 9 GLY C C 9 174.663 172.681 1.982 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.996 4.154 -0.158 1
1 14 . 20 1 1 A 10 10 GLY N N 10 108.571 108.899 -0.328 1
1 15 . 20 1 1 A 10 10 GLY H H 10 8.251 8.728 -0.477 1
1 16 . 20 1 1 A 10 10 GLY CA C 10 45.221 45.278 -0.057 1
1 17 . 20 1 1 A 10 10 GLY HA3 H 10 3.899 4.097 -0.198 1
1 18 . 20 1 1 A 10 10 GLY C C 10 173.838 173.264 0.574 1
1 19 . 20 1 1 A 10 10 GLY HA2 H 10 3.899 4.087 -0.188 1
1 20 . 20 1 1 A 11 11 LYS CA C 11 55.715 55.958 -0.243 1
1 21 . 20 1 1 A 11 11 LYS HA H 11 4.248 4.458 -0.210 1
1 22 . 20 1 1 A 11 11 LYS CB C 11 32.944 32.744 0.200 1
1 30 . 20 1 1 A 11 11 LYS C C 11 175.376 175.530 -0.154 1
1 35 . 20 1 1 A 12 12 HIS N N 12 119.464 123.792 -4.328 1
1 36 . 20 1 1 A 12 12 HIS H H 12 7.756 8.780 -1.024 1
1 37 . 20 1 1 A 12 12 HIS CA C 12 55.768 54.556 1.212 1
1 38 . 20 1 1 A 12 12 HIS HA H 12 4.590 5.516 -0.926 1
1 39 . 20 1 1 A 12 12 HIS CB C 12 31.837 33.672 -1.835 1
1 45 . 20 1 1 A 12 12 HIS C C 12 173.771 172.971 0.800 1
1 47 . 20 1 1 A 13 13 PHE N N 13 121.351 125.118 -3.767 1
1 48 . 20 1 1 A 13 13 PHE H H 13 8.608 8.933 -0.325 1
1 49 . 20 1 1 A 13 13 PHE CA C 13 57.043 56.996 0.047 1
1 50 . 20 1 1 A 13 13 PHE HA H 13 4.695 5.140 -0.445 1
1 51 . 20 1 1 A 13 13 PHE CB C 13 40.358 40.952 -0.594 1
1 63 . 20 1 1 A 13 13 PHE C C 13 174.660 174.852 -0.192 1
1 65 . 20 1 1 A 14 14 GLU N N 14 123.701 124.724 -1.023 1
1 66 . 20 1 1 A 14 14 GLU H H 14 8.703 9.195 -0.492 1
1 67 . 20 1 1 A 14 14 GLU CA C 14 55.192 54.909 0.283 1
1 68 . 20 1 1 A 14 14 GLU HA H 14 4.930 5.522 -0.592 1
1 69 . 20 1 1 A 14 14 GLU CB C 14 32.782 32.556 0.226 1
1 73 . 20 1 1 A 14 14 GLU C C 14 175.204 176.260 -1.056 1
1 76 . 20 1 1 A 15 15 CYS N N 15 126.235 124.867 1.368 1
1 77 . 20 1 1 A 15 15 CYS H H 15 9.225 9.185 0.040 1
1 78 . 20 1 1 A 15 15 CYS CA C 15 59.373 59.386 -0.013 1
1 79 . 20 1 1 A 15 15 CYS HA H 15 4.675 4.711 -0.036 1
1 80 . 20 1 1 A 15 15 CYS CB C 15 29.593 28.654 0.939 1
1 82 . 20 1 1 A 15 15 CYS C C 15 177.738 176.515 1.223 1
1 84 . 20 1 1 A 16 16 THR N N 16 111.509 121.838 -10.329 1
1 85 . 20 1 1 A 16 16 THR H H 16 8.979 8.668 0.311 1
1 86 . 20 1 1 A 16 16 THR CA C 16 64.511 65.150 -0.639 1
1 87 . 20 1 1 A 16 16 THR HA H 16 4.164 4.167 -0.003 1
1 88 . 20 1 1 A 16 16 THR CB C 16 68.647 68.205 0.442 1
1 94 . 20 1 1 A 16 16 THR C C 16 175.013 175.746 -0.733 1
1 95 . 20 1 1 A 17 17 GLU N N 17 122.589 120.353 2.236 1
1 96 . 20 1 1 A 17 17 GLU H H 17 8.635 7.755 0.880 1
1 97 . 20 1 1 A 17 17 GLU CA C 17 58.162 58.642 -0.480 1
1 98 . 20 1 1 A 17 17 GLU HA H 17 4.239 4.020 0.219 1
1 99 . 20 1 1 A 17 17 GLU CB C 17 29.496 29.924 -0.428 1
1 103 . 20 1 1 A 17 17 GLU C C 17 177.246 178.220 -0.974 1
1 106 . 20 1 1 A 18 18 CYS N N 18 114.562 114.762 -0.200 1
1 107 . 20 1 1 A 18 18 CYS H H 18 7.910 7.865 0.045 1
1 108 . 20 1 1 A 18 18 CYS CA C 18 58.391 59.646 -1.255 1
1 109 . 20 1 1 A 18 18 CYS HA H 18 5.164 4.543 0.621 1
1 110 . 20 1 1 A 18 18 CYS CB C 18 32.468 29.614 2.854 1
1 112 . 20 1 1 A 18 18 CYS C C 18 176.262 175.293 0.969 1
1 114 . 20 1 1 A 19 19 GLY N N 19 113.487 110.349 3.138 1
1 115 . 20 1 1 A 19 19 GLY H H 19 8.165 8.081 0.084 1
1 116 . 20 1 1 A 19 19 GLY CA C 19 46.214 45.223 0.991 1
1 117 . 20 1 1 A 19 19 GLY HA3 H 19 3.886 4.061 -0.175 1
1 118 . 20 1 1 A 19 19 GLY C C 19 173.798 174.398 -0.600 1
1 119 . 20 1 1 A 19 19 GLY HA2 H 19 4.214 4.041 0.173 1
1 120 . 20 1 1 A 20 20 LYS N N 20 122.564 122.148 0.416 1
1 121 . 20 1 1 A 20 20 LYS H H 20 7.884 7.631 0.253 1
1 122 . 20 1 1 A 20 20 LYS CA C 20 57.974 55.543 2.431 1
1 123 . 20 1 1 A 20 20 LYS HA H 20 3.962 4.380 -0.418 1
1 124 . 20 1 1 A 20 20 LYS CB C 20 33.877 33.351 0.526 1
1 132 . 20 1 1 A 20 20 LYS C C 20 173.740 175.869 -2.129 1
1 137 . 20 1 1 A 21 21 ALA N N 21 123.364 128.926 -5.562 1
1 138 . 20 1 1 A 21 21 ALA H H 21 7.839 8.644 -0.805 1
1 139 . 20 1 1 A 21 21 ALA CA C 21 50.556 50.366 0.190 1
1 140 . 20 1 1 A 21 21 ALA HA H 21 4.987 5.484 -0.497 1
1 141 . 20 1 1 A 21 21 ALA CB C 21 21.924 20.462 1.462 1
1 145 . 20 1 1 A 21 21 ALA C C 21 176.349 176.411 -0.062 1
1 146 . 20 1 1 A 22 22 PHE N N 22 117.458 119.756 -2.298 1
1 147 . 20 1 1 A 22 22 PHE H H 22 8.633 9.782 -1.149 1
1 148 . 20 1 1 A 22 22 PHE CA C 22 57.005 56.455 0.550 1
1 149 . 20 1 1 A 22 22 PHE HA H 22 4.855 5.150 -0.295 1
1 150 . 20 1 1 A 22 22 PHE CB C 22 43.656 41.903 1.753 1
1 162 . 20 1 1 A 22 22 PHE C C 22 175.978 176.185 -0.207 1
1 164 . 20 1 1 A 23 23 THR CA C 23 62.840 63.517 -0.677 1
1 165 . 20 1 1 A 23 23 THR HA H 23 4.615 3.864 0.751 1
1 166 . 20 1 1 A 23 23 THR CB C 23 69.738 68.863 0.875 1
1 172 . 20 1 1 A 23 23 THR C C 23 174.588 174.540 0.048 1
1 173 . 20 1 1 A 24 24 ARG N N 24 117.287 119.602 -2.315 1
1 174 . 20 1 1 A 24 24 ARG H H 24 7.306 7.732 -0.426 1
1 175 . 20 1 1 A 24 24 ARG CA C 24 54.452 54.537 -0.085 1
1 176 . 20 1 1 A 24 24 ARG HA H 24 4.703 4.634 0.069 1
1 177 . 20 1 1 A 24 24 ARG CB C 24 33.863 33.335 0.528 1
1 183 . 20 1 1 A 24 24 ARG C C 24 175.439 175.895 -0.456 1
1 187 . 20 1 1 A 25 25 LYS CA C 25 59.205 58.358 0.847 1
1 188 . 20 1 1 A 25 25 LYS HA H 25 3.150 3.386 -0.236 1
1 189 . 20 1 1 A 25 25 LYS CB C 25 31.728 30.896 0.832 1
1 200 . 20 1 1 A 26 26 SER CA C 26 60.817 61.297 -0.480 1
1 201 . 20 1 1 A 26 26 SER HA H 26 4.043 4.067 -0.024 1
1 202 . 20 1 1 A 26 26 SER CB C 26 61.472 62.322 -0.850 1
1 204 . 20 1 1 A 26 26 SER C C 26 177.205 177.218 -0.013 1
1 206 . 20 1 1 A 27 27 THR N N 27 117.923 116.906 1.017 1
1 207 . 20 1 1 A 27 27 THR H H 27 6.917 7.717 -0.800 1
1 208 . 20 1 1 A 27 27 THR CA C 27 65.095 66.611 -1.516 1
1 209 . 20 1 1 A 27 27 THR HA H 27 3.923 3.943 -0.020 1
1 210 . 20 1 1 A 27 27 THR CB C 27 67.872 68.131 -0.259 1
1 216 . 20 1 1 A 27 27 THR C C 27 176.713 176.383 0.330 1
1 217 . 20 1 1 A 28 28 LEU N N 28 123.790 122.199 1.591 1
1 218 . 20 1 1 A 28 28 LEU H H 28 7.141 7.474 -0.333 1
1 219 . 20 1 1 A 28 28 LEU CA C 28 58.267 57.119 1.148 1
1 220 . 20 1 1 A 28 28 LEU HA H 28 3.229 3.029 0.200 1
1 221 . 20 1 1 A 28 28 LEU CB C 28 40.123 41.327 -1.204 1
1 233 . 20 1 1 A 28 28 LEU C C 28 177.782 178.019 -0.237 1
1 235 . 20 1 1 A 29 29 SER N N 29 114.756 114.774 -0.018 1
1 236 . 20 1 1 A 29 29 SER H H 29 8.465 8.049 0.416 1
1 237 . 20 1 1 A 29 29 SER CA C 29 61.832 61.280 0.552 1
1 238 . 20 1 1 A 29 29 SER HA H 29 4.255 4.029 0.226 1
1 239 . 20 1 1 A 29 29 SER CB C 29 62.537 62.903 -0.366 1
1 241 . 20 1 1 A 29 29 SER C C 29 177.070 176.375 0.695 1
1 243 . 20 1 1 A 30 30 MET N N 30 119.297 119.298 -0.001 1
1 244 . 20 1 1 A 30 30 MET H H 30 7.502 7.950 -0.448 1
1 245 . 20 1 1 A 30 30 MET CA C 30 58.202 57.762 0.440 1
1 246 . 20 1 1 A 30 30 MET HA H 30 4.154 4.317 -0.163 1
1 247 . 20 1 1 A 30 30 MET CB C 30 32.390 32.078 0.312 1
1 255 . 20 1 1 A 30 30 MET C C 30 178.561 178.356 0.205 1
1 258 . 20 1 1 A 31 31 HIS N N 31 120.247 120.515 -0.268 1
1 259 . 20 1 1 A 31 31 HIS H H 31 7.805 8.232 -0.427 1
1 260 . 20 1 1 A 31 31 HIS CA C 31 59.197 59.916 -0.719 1
1 261 . 20 1 1 A 31 31 HIS HA H 31 4.168 4.154 0.014 1
1 262 . 20 1 1 A 31 31 HIS CB C 31 28.173 29.740 -1.567 1
1 268 . 20 1 1 A 31 31 HIS C C 31 176.343 177.386 -1.043 1
1 270 . 20 1 1 A 32 32 GLN N N 32 115.288 118.778 -3.490 1
1 271 . 20 1 1 A 32 32 GLN H H 32 8.405 8.252 0.153 1
1 272 . 20 1 1 A 32 32 GLN CA C 32 59.419 59.084 0.335 1
1 273 . 20 1 1 A 32 32 GLN HA H 32 3.692 3.957 -0.265 1
1 274 . 20 1 1 A 32 32 GLN CB C 32 28.474 28.376 0.098 1
1 281 . 20 1 1 A 32 32 GLN C C 32 177.514 178.844 -1.330 1
1 284 . 20 1 1 A 33 33 LYS N N 33 117.142 118.922 -1.780 1
1 285 . 20 1 1 A 33 33 LYS H H 33 7.103 7.815 -0.712 1
1 286 . 20 1 1 A 33 33 LYS CA C 33 58.467 58.338 0.129 1
1 287 . 20 1 1 A 33 33 LYS HA H 33 4.111 4.346 -0.235 1
1 288 . 20 1 1 A 33 33 LYS CB C 33 32.225 31.891 0.334 1
1 296 . 20 1 1 A 33 33 LYS C C 33 178.784 179.300 -0.516 1
1 301 . 20 1 1 A 34 34 ILE N N 34 116.412 115.720 0.692 1
1 302 . 20 1 1 A 34 34 ILE H H 34 7.822 7.864 -0.042 1
1 303 . 20 1 1 A 34 34 ILE CA C 34 63.061 62.806 0.255 1
1 304 . 20 1 1 A 34 34 ILE HA H 34 3.975 3.853 0.122 1
1 305 . 20 1 1 A 34 34 ILE CB C 34 37.649 37.245 0.404 1
1 317 . 20 1 1 A 34 34 ILE C C 34 177.516 176.560 0.956 1
1 319 . 20 1 1 A 35 35 HIS N N 35 117.694 119.725 -2.031 1
1 320 . 20 1 1 A 35 35 HIS H H 35 7.194 7.587 -0.393 1
1 321 . 20 1 1 A 35 35 HIS CA C 35 55.301 57.336 -2.035 1
1 322 . 20 1 1 A 35 35 HIS HA H 35 4.846 4.558 0.288 1
1 323 . 20 1 1 A 35 35 HIS CB C 35 28.487 31.389 -2.902 1
1 329 . 20 1 1 A 35 35 HIS C C 35 175.812 177.473 -1.661 1
1 331 . 20 1 1 A 36 36 THR N N 36 111.822 111.353 0.469 1
1 332 . 20 1 1 A 36 36 THR H H 36 7.763 7.560 0.203 1
1 333 . 20 1 1 A 36 36 THR CA C 36 62.564 63.491 -0.927 1
1 334 . 20 1 1 A 36 36 THR HA H 36 4.350 4.120 0.230 1
1 335 . 20 1 1 A 36 36 THR CB C 36 69.813 69.956 -0.143 1
1 341 . 20 1 1 A 36 36 THR C C 36 175.513 174.282 1.231 1
1 342 . 20 1 1 A 37 37 GLY N N 37 110.617 109.113 1.504 1
1 343 . 20 1 1 A 37 37 GLY H H 37 8.212 7.296 0.916 1
1 344 . 20 1 1 A 37 37 GLY CA C 37 45.405 43.764 1.641 1
1 345 . 20 1 1 A 37 37 GLY HA3 H 37 4.024 4.049 -0.025 1
1 346 . 20 1 1 A 37 37 GLY C C 37 174.041 172.584 1.457 1
1 347 . 20 1 1 A 37 37 GLY HA2 H 37 3.966 4.040 -0.074 1
1 348 . 20 1 1 A 38 38 GLU N N 38 120.572 121.360 -0.788 1
1 349 . 20 1 1 A 38 38 GLU H H 38 8.097 8.396 -0.299 1
1 350 . 20 1 1 A 38 38 GLU CA C 38 56.480 55.017 1.463 1
1 351 . 20 1 1 A 38 38 GLU HA H 38 4.253 4.922 -0.669 1
1 352 . 20 1 1 A 38 38 GLU CB C 38 30.586 32.005 -1.419 1
1 356 . 20 1 1 A 38 38 GLU C C 38 176.244 175.867 0.377 1
1 359 . 20 1 1 A 39 39 LYS N N 39 123.658 123.892 -0.234 1
1 360 . 20 1 1 A 39 39 LYS H H 39 8.366 8.757 -0.391 1
1 361 . 20 1 1 A 39 39 LYS CA C 39 54.084 53.794 0.290 1
1 362 . 20 1 1 A 39 39 LYS HA H 39 4.614 4.605 0.009 1
1 363 . 20 1 1 A 39 39 LYS CB C 39 32.557 31.918 0.639 1
1 371 . 20 1 1 A 39 39 LYS C C 39 174.505 176.352 -1.847 1
1 376 . 20 1 1 A 40 40 PRO CA C 40 63.210 64.305 -1.095 1
1 377 . 20 1 1 A 40 40 PRO HA H 40 4.466 4.437 0.029 1
1 378 . 20 1 1 A 40 40 PRO CB C 40 32.186 31.804 0.382 1
1 384 . 20 1 1 A 40 40 PRO C C 40 177.000 176.448 0.552 1
1 388 . 20 1 1 A 41 41 SER N N 41 116.449 113.302 3.147 1
1 389 . 20 1 1 A 41 41 SER H H 41 8.466 7.880 0.586 1
1 390 . 20 1 1 A 41 41 SER CA C 41 58.350 59.105 -0.755 1
1 391 . 20 1 1 A 41 41 SER HA H 41 4.472 4.276 0.196 1
1 392 . 20 1 1 A 41 41 SER CB C 41 64.016 63.644 0.372 1
1 394 . 20 1 1 A 41 41 SER C C 41 174.682 175.332 -0.650 1
1 396 . 20 1 1 A 42 42 GLY CA C 42 44.670 45.411 -0.741 1
1 397 . 20 1 1 A 42 42 GLY HA3 H 42 4.165 4.082 0.083 1
1 398 . 20 1 1 A 42 42 GLY HA2 H 42 4.109 4.081 0.028 1
1 399 . 20 1 1 A 43 43 PRO CA C 43 63.265 63.985 -0.720 1
1 400 . 20 1 1 A 43 43 PRO HA H 43 4.478 4.593 -0.115 1
1 401 . 20 1 1 A 43 43 PRO CB C 43 32.223 31.802 0.421 1
1 410 . 20 1 1 A 45 45 SER CA C 45 58.389 56.717 1.672 1
1 411 . 20 1 1 A 45 45 SER HA H 45 4.498 5.052 -0.554 1
1 412 . 20 1 1 A 45 45 SER CB C 45 63.929 63.835 0.094 1
1 414 . 20 1 1 A 45 45 SER C C 45 173.909 173.223 0.686 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 0.771 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.196 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.293 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.493 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.261 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.790 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.898 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.159 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.387 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.567 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.367 1
12 1 2 1 "RMS(OBS, PRED)" N 28 3.232 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.881 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.103 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.437 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.525 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.255 1
18 1 3 1 "RMS(OBS, PRED)" N 28 2.925 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.899 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.070 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.228 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.517 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.314 1
24 1 4 1 "RMS(OBS, PRED)" N 28 2.909 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.898 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.329 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.301 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.534 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.344 1
30 1 5 1 "RMS(OBS, PRED)" N 28 2.956 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.851 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.136 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.418 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.572 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.287 1
36 1 6 1 "RMS(OBS, PRED)" N 28 3.381 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.982 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.318 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.250 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.510 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.326 1
42 1 7 1 "RMS(OBS, PRED)" N 28 2.955 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.910 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.087 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.354 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.498 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.308 1
48 1 8 1 "RMS(OBS, PRED)" N 28 2.943 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.970 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.046 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.288 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.581 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.277 1
54 1 9 1 "RMS(OBS, PRED)" N 28 3.440 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.960 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 0.994 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.305 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.542 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.280 1
60 1 10 1 "RMS(OBS, PRED)" N 28 2.944 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.052 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.397 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.152 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.549 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.312 1
66 1 11 1 "RMS(OBS, PRED)" N 28 3.224 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.983 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.046 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.413 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.512 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.298 1
72 1 12 1 "RMS(OBS, PRED)" N 28 2.889 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.762 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.070 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.219 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.551 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.287 1
78 1 13 1 "RMS(OBS, PRED)" N 28 2.983 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.001 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.307 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.376 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.539 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.360 1
84 1 14 1 "RMS(OBS, PRED)" N 28 2.803 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.875 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.105 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.308 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.499 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.325 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.941 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.875 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.243 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.407 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.547 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.335 1
96 1 16 1 "RMS(OBS, PRED)" N 28 3.766 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.099 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.066 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.216 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.526 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.266 1
102 1 17 1 "RMS(OBS, PRED)" N 28 3.324 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.867 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 0.908 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.146 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.516 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.242 1
108 1 18 1 "RMS(OBS, PRED)" N 28 3.079 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.847 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.297 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.389 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.472 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.300 1
114 1 19 1 "RMS(OBS, PRED)" N 28 2.908 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.985 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 0.977 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.094 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.554 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.332 1
120 1 20 1 "RMS(OBS, PRED)" N 28 2.956 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR CA C 8 61.938 61.408 0.530 2
1 2 . 1 1 A 8 8 THR HA H 8 4.380 4.615 -0.235 2
1 3 . 1 1 A 8 8 THR CB C 8 69.802 69.763 0.039 2
1 9 . 1 1 A 9 9 GLY N N 9 110.579 111.773 -1.194 2
1 10 . 1 1 A 9 9 GLY H H 9 8.211 8.355 -0.144 2
1 11 . 1 1 A 9 9 GLY CA C 9 45.481 45.433 0.048 2
1 12 . 1 1 A 9 9 GLY C C 9 174.663 174.054 0.609 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.996 4.080 -0.084 2
1 14 . 1 1 A 10 10 GLY N N 10 108.571 110.060 -1.489 2
1 15 . 1 1 A 10 10 GLY H H 10 8.251 8.432 -0.181 2
1 16 . 1 1 A 10 10 GLY CA C 10 45.221 45.190 0.031 2
1 17 . 1 1 A 10 10 GLY HA3 H 10 3.899 4.076 -0.177 2
1 18 . 1 1 A 10 10 GLY C C 10 173.838 173.464 0.374 2
1 19 . 1 1 A 10 10 GLY HA2 H 10 3.899 4.064 -0.165 2
1 20 . 1 1 A 11 11 LYS CA C 11 55.715 55.465 0.250 2
1 21 . 1 1 A 11 11 LYS HA H 11 4.248 4.436 -0.188 2
1 22 . 1 1 A 11 11 LYS CB C 11 32.944 32.440 0.504 2
1 30 . 1 1 A 11 11 LYS C C 11 175.376 175.313 0.063 2
1 35 . 1 1 A 12 12 HIS N N 12 119.464 120.535 -1.071 2
1 36 . 1 1 A 12 12 HIS H H 12 7.756 8.355 -0.599 2
1 37 . 1 1 A 12 12 HIS CA C 12 55.768 54.845 0.923 2
1 38 . 1 1 A 12 12 HIS HA H 12 4.590 5.285 -0.695 2
1 39 . 1 1 A 12 12 HIS CB C 12 31.837 31.894 -0.057 2
1 45 . 1 1 A 12 12 HIS C C 12 173.771 173.939 -0.168 2
1 47 . 1 1 A 13 13 PHE N N 13 121.351 122.479 -1.128 2
1 48 . 1 1 A 13 13 PHE H H 13 8.608 9.116 -0.508 2
1 49 . 1 1 A 13 13 PHE CA C 13 57.043 57.071 -0.028 2
1 50 . 1 1 A 13 13 PHE HA H 13 4.695 5.060 -0.365 2
1 51 . 1 1 A 13 13 PHE CB C 13 40.358 40.816 -0.458 2
1 63 . 1 1 A 13 13 PHE C C 13 174.660 174.914 -0.254 2
1 65 . 1 1 A 14 14 GLU N N 14 123.701 124.603 -0.902 2
1 66 . 1 1 A 14 14 GLU H H 14 8.703 9.020 -0.317 2
1 67 . 1 1 A 14 14 GLU CA C 14 55.192 55.166 0.026 2
1 68 . 1 1 A 14 14 GLU HA H 14 4.930 5.370 -0.440 2
1 69 . 1 1 A 14 14 GLU CB C 14 32.782 31.933 0.849 2
1 73 . 1 1 A 14 14 GLU C C 14 175.204 176.486 -1.282 2
1 76 . 1 1 A 15 15 CYS N N 15 126.235 124.823 1.412 2
1 77 . 1 1 A 15 15 CYS H H 15 9.225 9.229 -0.004 2
1 78 . 1 1 A 15 15 CYS CA C 15 59.373 59.394 -0.021 2
1 79 . 1 1 A 15 15 CYS HA H 15 4.675 4.726 -0.051 2
1 80 . 1 1 A 15 15 CYS CB C 15 29.593 28.635 0.958 2
1 82 . 1 1 A 15 15 CYS C C 15 177.738 176.255 1.483 2
1 84 . 1 1 A 16 16 THR N N 16 111.509 121.862 -10.353 2
1 85 . 1 1 A 16 16 THR H H 16 8.979 8.780 0.199 2
1 86 . 1 1 A 16 16 THR CA C 16 64.511 64.224 0.287 2
1 87 . 1 1 A 16 16 THR HA H 16 4.164 4.248 -0.084 2
1 88 . 1 1 A 16 16 THR CB C 16 68.647 68.631 0.016 2
1 94 . 1 1 A 16 16 THR C C 16 175.013 175.736 -0.723 2
1 95 . 1 1 A 17 17 GLU N N 17 122.589 120.541 2.048 2
1 96 . 1 1 A 17 17 GLU H H 17 8.635 7.702 0.933 2
1 97 . 1 1 A 17 17 GLU CA C 17 58.162 58.399 -0.237 2
1 98 . 1 1 A 17 17 GLU HA H 17 4.239 4.088 0.151 2
1 99 . 1 1 A 17 17 GLU CB C 17 29.496 30.000 -0.504 2
1 103 . 1 1 A 17 17 GLU C C 17 177.246 178.083 -0.837 2
1 106 . 1 1 A 18 18 CYS N N 18 114.562 114.697 -0.135 2
1 107 . 1 1 A 18 18 CYS H H 18 7.910 7.880 0.030 2
1 108 . 1 1 A 18 18 CYS CA C 18 58.391 59.631 -1.240 2
1 109 . 1 1 A 18 18 CYS HA H 18 5.164 4.571 0.593 2
1 110 . 1 1 A 18 18 CYS CB C 18 32.468 29.613 2.854 2
1 112 . 1 1 A 18 18 CYS C C 18 176.262 175.291 0.971 2
1 114 . 1 1 A 19 19 GLY N N 19 113.487 110.328 3.159 2
1 115 . 1 1 A 19 19 GLY H H 19 8.165 8.145 0.021 2
1 116 . 1 1 A 19 19 GLY CA C 19 46.214 45.140 1.074 2
1 117 . 1 1 A 19 19 GLY HA3 H 19 3.886 4.086 -0.200 2
1 118 . 1 1 A 19 19 GLY C C 19 173.798 174.513 -0.715 2
1 119 . 1 1 A 19 19 GLY HA2 H 19 4.214 4.063 0.151 2
1 120 . 1 1 A 20 20 LYS N N 20 122.564 122.360 0.204 2
1 121 . 1 1 A 20 20 LYS H H 20 7.884 7.669 0.215 2
1 122 . 1 1 A 20 20 LYS CA C 20 57.974 55.760 2.214 2
1 123 . 1 1 A 20 20 LYS HA H 20 3.962 4.250 -0.288 2
1 124 . 1 1 A 20 20 LYS CB C 20 33.877 33.120 0.757 2
1 132 . 1 1 A 20 20 LYS C C 20 173.740 175.822 -2.082 2
1 137 . 1 1 A 21 21 ALA N N 21 123.364 128.753 -5.389 2
1 138 . 1 1 A 21 21 ALA H H 21 7.839 8.501 -0.662 2
1 139 . 1 1 A 21 21 ALA CA C 21 50.556 50.419 0.137 2
1 140 . 1 1 A 21 21 ALA HA H 21 4.987 5.329 -0.342 2
1 141 . 1 1 A 21 21 ALA CB C 21 21.924 20.539 1.385 2
1 145 . 1 1 A 21 21 ALA C C 21 176.349 176.412 -0.063 2
1 146 . 1 1 A 22 22 PHE N N 22 117.458 119.766 -2.308 2
1 147 . 1 1 A 22 22 PHE H H 22 8.633 9.620 -0.987 2
1 148 . 1 1 A 22 22 PHE CA C 22 57.005 56.556 0.449 2
1 149 . 1 1 A 22 22 PHE HA H 22 4.855 5.141 -0.286 2
1 150 . 1 1 A 22 22 PHE CB C 22 43.656 42.214 1.442 2
1 162 . 1 1 A 22 22 PHE C C 22 175.978 176.082 -0.104 2
1 164 . 1 1 A 23 23 THR CA C 23 62.840 63.045 -0.205 2
1 165 . 1 1 A 23 23 THR HA H 23 4.615 4.379 0.236 2
1 166 . 1 1 A 23 23 THR CB C 23 69.738 69.316 0.422 2
1 172 . 1 1 A 23 23 THR C C 23 174.588 174.121 0.467 2
1 173 . 1 1 A 24 24 ARG N N 24 117.287 120.910 -3.623 2
1 174 . 1 1 A 24 24 ARG H H 24 7.306 7.656 -0.350 2
1 175 . 1 1 A 24 24 ARG CA C 24 54.452 54.411 0.041 2
1 176 . 1 1 A 24 24 ARG HA H 24 4.703 4.709 -0.006 2
1 177 . 1 1 A 24 24 ARG CB C 24 33.863 32.699 1.165 2
1 183 . 1 1 A 24 24 ARG C C 24 175.439 175.985 -0.546 2
1 187 . 1 1 A 25 25 LYS CA C 25 59.205 58.972 0.233 2
1 188 . 1 1 A 25 25 LYS HA H 25 3.150 3.284 -0.134 2
1 189 . 1 1 A 25 25 LYS CB C 25 31.728 31.554 0.174 2
1 200 . 1 1 A 26 26 SER CA C 26 60.817 61.767 -0.950 2
1 201 . 1 1 A 26 26 SER HA H 26 4.043 4.096 -0.053 2
1 202 . 1 1 A 26 26 SER CB C 26 61.472 62.781 -1.309 2
1 204 . 1 1 A 26 26 SER C C 26 177.205 176.676 0.529 2
1 206 . 1 1 A 27 27 THR N N 27 117.923 117.515 0.408 2
1 207 . 1 1 A 27 27 THR H H 27 6.917 7.855 -0.938 2
1 208 . 1 1 A 27 27 THR CA C 27 65.095 67.097 -2.003 2
1 209 . 1 1 A 27 27 THR HA H 27 3.923 3.909 0.014 2
1 210 . 1 1 A 27 27 THR CB C 27 67.872 68.602 -0.730 2
1 216 . 1 1 A 27 27 THR C C 27 176.713 176.032 0.681 2
1 217 . 1 1 A 28 28 LEU N N 28 123.790 121.509 2.281 2
1 218 . 1 1 A 28 28 LEU H H 28 7.141 7.815 -0.674 2
1 219 . 1 1 A 28 28 LEU CA C 28 58.267 57.486 0.781 2
1 220 . 1 1 A 28 28 LEU HA H 28 3.229 2.941 0.288 2
1 221 . 1 1 A 28 28 LEU CB C 28 40.123 41.296 -1.173 2
1 233 . 1 1 A 28 28 LEU C C 28 177.782 178.232 -0.449 2
1 235 . 1 1 A 29 29 SER N N 29 114.756 114.832 -0.076 2
1 236 . 1 1 A 29 29 SER H H 29 8.465 7.801 0.664 2
1 237 . 1 1 A 29 29 SER CA C 29 61.832 61.590 0.242 2
1 238 . 1 1 A 29 29 SER HA H 29 4.255 4.052 0.203 2
1 239 . 1 1 A 29 29 SER CB C 29 62.537 62.949 -0.412 2
1 241 . 1 1 A 29 29 SER C C 29 177.070 176.431 0.639 2
1 243 . 1 1 A 30 30 MET N N 30 119.297 119.538 -0.241 2
1 244 . 1 1 A 30 30 MET H H 30 7.502 7.694 -0.192 2
1 245 . 1 1 A 30 30 MET CA C 30 58.202 57.796 0.406 2
1 246 . 1 1 A 30 30 MET HA H 30 4.154 4.321 -0.167 2
1 247 . 1 1 A 30 30 MET CB C 30 32.390 32.114 0.276 2
1 255 . 1 1 A 30 30 MET C C 30 178.561 178.352 0.208 2
1 258 . 1 1 A 31 31 HIS N N 31 120.247 120.452 -0.205 2
1 259 . 1 1 A 31 31 HIS H H 31 7.805 8.071 -0.266 2
1 260 . 1 1 A 31 31 HIS CA C 31 59.197 59.688 -0.490 2
1 261 . 1 1 A 31 31 HIS HA H 31 4.168 4.155 0.013 2
1 262 . 1 1 A 31 31 HIS CB C 31 28.173 29.831 -1.658 2
1 268 . 1 1 A 31 31 HIS C C 31 176.343 177.525 -1.182 2
1 270 . 1 1 A 32 32 GLN N N 32 115.288 118.441 -3.153 2
1 271 . 1 1 A 32 32 GLN H H 32 8.405 8.524 -0.119 2
1 272 . 1 1 A 32 32 GLN CA C 32 59.419 58.802 0.617 2
1 273 . 1 1 A 32 32 GLN HA H 32 3.692 3.949 -0.257 2
1 274 . 1 1 A 32 32 GLN CB C 32 28.474 28.371 0.103 2
1 281 . 1 1 A 32 32 GLN C C 32 177.514 178.011 -0.497 2
1 284 . 1 1 A 33 33 LYS N N 33 117.142 118.781 -1.639 2
1 285 . 1 1 A 33 33 LYS H H 33 7.103 7.812 -0.709 2
1 286 . 1 1 A 33 33 LYS CA C 33 58.467 58.070 0.397 2
1 287 . 1 1 A 33 33 LYS HA H 33 4.111 4.235 -0.124 2
1 288 . 1 1 A 33 33 LYS CB C 33 32.225 32.208 0.017 2
1 296 . 1 1 A 33 33 LYS C C 33 178.784 178.875 -0.091 2
1 301 . 1 1 A 34 34 ILE N N 34 116.412 115.440 0.972 2
1 302 . 1 1 A 34 34 ILE H H 34 7.822 7.839 -0.017 2
1 303 . 1 1 A 34 34 ILE CA C 34 63.061 63.256 -0.195 2
1 304 . 1 1 A 34 34 ILE HA H 34 3.975 3.843 0.132 2
1 305 . 1 1 A 34 34 ILE CB C 34 37.649 37.124 0.525 2
1 317 . 1 1 A 34 34 ILE C C 34 177.516 176.802 0.714 2
1 319 . 1 1 A 35 35 HIS N N 35 117.694 119.721 -2.027 2
1 320 . 1 1 A 35 35 HIS H H 35 7.194 7.534 -0.340 2
1 321 . 1 1 A 35 35 HIS CA C 35 55.301 57.726 -2.425 2
1 322 . 1 1 A 35 35 HIS HA H 35 4.846 4.544 0.302 2
1 323 . 1 1 A 35 35 HIS CB C 35 28.487 31.254 -2.767 2
1 329 . 1 1 A 35 35 HIS C C 35 175.812 176.933 -1.121 2
1 331 . 1 1 A 36 36 THR N N 36 111.822 112.276 -0.454 2
1 332 . 1 1 A 36 36 THR H H 36 7.763 7.652 0.111 2
1 333 . 1 1 A 36 36 THR CA C 36 62.564 63.902 -1.338 2
1 334 . 1 1 A 36 36 THR HA H 36 4.350 4.156 0.194 2
1 335 . 1 1 A 36 36 THR CB C 36 69.813 68.985 0.828 2
1 341 . 1 1 A 36 36 THR C C 36 175.513 175.555 -0.042 2
1 342 . 1 1 A 37 37 GLY N N 37 110.617 109.642 0.975 2
1 343 . 1 1 A 37 37 GLY H H 37 8.212 7.797 0.415 2
1 344 . 1 1 A 37 37 GLY CA C 37 45.405 45.929 -0.524 2
1 345 . 1 1 A 37 37 GLY HA3 H 37 4.024 3.925 0.099 2
1 346 . 1 1 A 37 37 GLY C C 37 174.041 173.812 0.229 2
1 347 . 1 1 A 37 37 GLY HA2 H 37 3.966 3.915 0.051 2
1 348 . 1 1 A 38 38 GLU N N 38 120.572 120.927 -0.355 2
1 349 . 1 1 A 38 38 GLU H H 38 8.097 8.295 -0.198 2
1 350 . 1 1 A 38 38 GLU CA C 38 56.480 56.053 0.427 2
1 351 . 1 1 A 38 38 GLU HA H 38 4.253 4.536 -0.283 2
1 352 . 1 1 A 38 38 GLU CB C 38 30.586 31.247 -0.661 2
1 356 . 1 1 A 38 38 GLU C C 38 176.244 175.788 0.456 2
1 359 . 1 1 A 39 39 LYS N N 39 123.658 122.173 1.485 2
1 360 . 1 1 A 39 39 LYS H H 39 8.366 8.360 0.006 2
1 361 . 1 1 A 39 39 LYS CA C 39 54.084 54.191 -0.107 2
1 362 . 1 1 A 39 39 LYS HA H 39 4.614 4.604 0.010 2
1 363 . 1 1 A 39 39 LYS CB C 39 32.557 33.328 -0.771 2
1 371 . 1 1 A 39 39 LYS C C 39 174.505 175.157 -0.652 2
1 376 . 1 1 A 40 40 PRO CA C 40 63.210 63.318 -0.108 2
1 377 . 1 1 A 40 40 PRO HA H 40 4.466 4.521 -0.055 2
1 378 . 1 1 A 40 40 PRO CB C 40 32.186 31.903 0.283 2
1 384 . 1 1 A 40 40 PRO C C 40 177.000 176.631 0.369 2
1 388 . 1 1 A 41 41 SER N N 41 116.449 115.601 0.848 2
1 389 . 1 1 A 41 41 SER H H 41 8.466 8.271 0.195 2
1 390 . 1 1 A 41 41 SER CA C 41 58.350 58.927 -0.577 2
1 391 . 1 1 A 41 41 SER HA H 41 4.472 4.460 0.012 2
1 392 . 1 1 A 41 41 SER CB C 41 64.016 63.727 0.289 2
1 394 . 1 1 A 41 41 SER C C 41 174.682 174.477 0.205 2
1 396 . 1 1 A 42 42 GLY CA C 42 44.670 45.277 -0.607 2
1 397 . 1 1 A 42 42 GLY HA3 H 42 4.165 4.106 0.059 2
1 398 . 1 1 A 42 42 GLY HA2 H 42 4.109 4.105 0.004 2
1 399 . 1 1 A 43 43 PRO CA C 43 63.265 63.121 0.144 2
1 400 . 1 1 A 43 43 PRO HA H 43 4.478 4.558 -0.080 2
1 401 . 1 1 A 43 43 PRO CB C 43 32.223 32.255 -0.032 2
1 410 . 1 1 A 45 45 SER CA C 45 58.389 58.379 0.010 2
1 411 . 1 1 A 45 45 SER HA H 45 4.498 4.666 -0.168 2
1 412 . 1 1 A 45 45 SER CB C 45 63.929 63.847 0.082 2
1 414 . 1 1 A 45 45 SER C C 45 173.909 174.234 -0.325 2
stop_
save_