data_10175_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10175
_Entry.PDB_ID 2ENH
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.434 47.160 -1.726 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.025 3.886 0.139 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.025 3.887 0.138 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.512 175.588 -1.076 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.809 113.822 -1.013 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.155 8.024 0.131 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.803 64.913 -3.110 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.362 4.089 0.273 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.812 68.613 1.199 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.229 174.909 0.320 1
1 16 . 1 1 1 A 9 9 GLY N N 9 111.010 108.477 2.533 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.454 7.489 0.965 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.274 45.856 -0.582 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 3.960 4.015 -0.055 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.901 4.022 -0.121 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.065 173.295 0.770 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.229 118.951 1.278 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.235 8.657 -0.422 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.899 56.789 0.110 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.175 4.582 -0.407 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.419 31.164 -0.745 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.478 176.387 0.091 1
1 33 . 1 1 1 A 11 11 LYS N N 11 121.796 118.666 3.130 1
1 34 . 1 1 1 A 11 11 LYS H H 11 8.316 7.460 0.856 1
1 35 . 1 1 1 A 11 11 LYS CA C 11 53.820 53.037 0.783 1
1 36 . 1 1 1 A 11 11 LYS HA H 11 4.478 4.773 -0.295 1
1 37 . 1 1 1 A 11 11 LYS CB C 11 33.093 34.887 -1.794 1
1 49 . 1 1 1 A 11 11 LYS C C 11 173.770 176.119 -2.349 1
1 50 . 1 1 1 A 12 12 PRO CA C 12 63.394 64.010 -0.616 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.276 4.266 0.010 1
1 52 . 1 1 1 A 12 12 PRO CB C 12 32.241 31.398 0.843 1
1 61 . 1 1 1 A 12 12 PRO C C 12 176.311 175.654 0.657 1
1 62 . 1 1 1 A 13 13 TYR N N 13 118.293 117.971 0.322 1
1 63 . 1 1 1 A 13 13 TYR H H 13 7.943 7.478 0.465 1
1 64 . 1 1 1 A 13 13 TYR CA C 13 57.354 56.800 0.554 1
1 65 . 1 1 1 A 13 13 TYR HA H 13 4.622 5.404 -0.782 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.729 41.439 -2.710 1
1 77 . 1 1 1 A 13 13 TYR C C 13 174.554 174.210 0.344 1
1 78 . 1 1 1 A 14 14 GLU N N 14 123.940 124.525 -0.585 1
1 79 . 1 1 1 A 14 14 GLU H H 14 8.632 8.980 -0.348 1
1 80 . 1 1 1 A 14 14 GLU CA C 14 54.907 55.111 -0.204 1
1 81 . 1 1 1 A 14 14 GLU HA H 14 4.961 5.438 -0.477 1
1 82 . 1 1 1 A 14 14 GLU CB C 14 33.273 33.722 -0.449 1
1 88 . 1 1 1 A 14 14 GLU C C 14 175.188 175.427 -0.239 1
1 89 . 1 1 1 A 15 15 CYS N N 15 126.724 125.045 1.679 1
1 90 . 1 1 1 A 15 15 CYS H H 15 9.106 8.788 0.318 1
1 91 . 1 1 1 A 15 15 CYS CA C 15 59.792 60.212 -0.420 1
1 92 . 1 1 1 A 15 15 CYS HA H 15 4.470 4.552 -0.082 1
1 93 . 1 1 1 A 15 15 CYS CB C 15 29.830 28.464 1.366 1
1 96 . 1 1 1 A 15 15 CYS C C 15 176.556 175.667 0.889 1
1 97 . 1 1 1 A 16 16 ASP N N 16 130.840 128.243 2.597 1
1 98 . 1 1 1 A 16 16 ASP H H 16 9.184 9.159 0.025 1
1 99 . 1 1 1 A 16 16 ASP CA C 16 56.098 54.607 1.491 1
1 100 . 1 1 1 A 16 16 ASP HA H 16 4.423 4.845 -0.422 1
1 101 . 1 1 1 A 16 16 ASP CB C 16 40.221 40.990 -0.769 1
1 104 . 1 1 1 A 16 16 ASP C C 16 175.891 176.324 -0.433 1
1 105 . 1 1 1 A 17 17 VAL N N 17 121.778 117.791 3.987 1
1 106 . 1 1 1 A 17 17 VAL H H 17 8.715 8.004 0.711 1
1 107 . 1 1 1 A 17 17 VAL CA C 17 65.079 63.643 1.436 1
1 108 . 1 1 1 A 17 17 VAL HA H 17 3.802 4.113 -0.311 1
1 109 . 1 1 1 A 17 17 VAL CB C 17 33.070 33.716 -0.646 1
1 119 . 1 1 1 A 17 17 VAL C C 17 177.159 177.423 -0.264 1
1 120 . 1 1 1 A 18 18 CYS N N 18 116.273 115.610 0.663 1
1 121 . 1 1 1 A 18 18 CYS H H 18 8.033 8.026 0.007 1
1 122 . 1 1 1 A 18 18 CYS CA C 18 58.364 58.254 0.110 1
1 123 . 1 1 1 A 18 18 CYS HA H 18 5.063 4.451 0.612 1
1 124 . 1 1 1 A 18 18 CYS CB C 18 32.219 27.890 4.329 1
1 127 . 1 1 1 A 18 18 CYS C C 18 175.604 174.333 1.271 1
1 128 . 1 1 1 A 19 19 ARG N N 19 116.989 116.292 0.697 1
1 129 . 1 1 1 A 19 19 ARG H H 19 8.006 7.663 0.343 1
1 130 . 1 1 1 A 19 19 ARG CA C 19 57.775 57.013 0.762 1
1 131 . 1 1 1 A 19 19 ARG HA H 19 4.185 4.200 -0.015 1
1 132 . 1 1 1 A 19 19 ARG CB C 19 26.272 27.239 -0.967 1
1 141 . 1 1 1 A 19 19 ARG C C 19 175.142 175.075 0.067 1
1 142 . 1 1 1 A 20 20 LYS N N 20 122.150 118.846 3.304 1
1 143 . 1 1 1 A 20 20 LYS H H 20 7.911 8.118 -0.207 1
1 144 . 1 1 1 A 20 20 LYS CA C 20 58.232 55.411 2.821 1
1 145 . 1 1 1 A 20 20 LYS HA H 20 4.015 4.293 -0.278 1
1 146 . 1 1 1 A 20 20 LYS CB C 20 33.817 33.906 -0.089 1
1 158 . 1 1 1 A 20 20 LYS C C 20 174.015 175.485 -1.470 1
1 159 . 1 1 1 A 21 21 ALA N N 21 124.525 120.572 3.953 1
1 160 . 1 1 1 A 21 21 ALA H H 21 7.843 7.986 -0.143 1
1 161 . 1 1 1 A 21 21 ALA CA C 21 50.504 50.631 -0.127 1
1 162 . 1 1 1 A 21 21 ALA HA H 21 5.133 5.073 0.060 1
1 163 . 1 1 1 A 21 21 ALA CB C 21 22.105 22.138 -0.033 1
1 167 . 1 1 1 A 21 21 ALA C C 21 176.441 175.324 1.117 1
1 168 . 1 1 1 A 22 22 PHE N N 22 116.906 120.275 -3.369 1
1 169 . 1 1 1 A 22 22 PHE H H 22 8.731 8.523 0.208 1
1 170 . 1 1 1 A 22 22 PHE CA C 22 57.273 56.634 0.639 1
1 171 . 1 1 1 A 22 22 PHE HA H 22 4.709 4.914 -0.205 1
1 172 . 1 1 1 A 22 22 PHE CB C 22 43.819 43.352 0.467 1
1 185 . 1 1 1 A 22 22 PHE C C 22 175.611 175.999 -0.388 1
1 186 . 1 1 1 A 23 23 SER CA C 23 60.514 60.016 0.498 1
1 187 . 1 1 1 A 23 23 SER HA H 23 4.552 4.536 0.016 1
1 188 . 1 1 1 A 23 23 SER CB C 23 63.982 63.712 0.270 1
1 191 . 1 1 1 A 23 23 SER C C 23 173.478 173.870 -0.392 1
1 192 . 1 1 1 A 24 24 HIS N N 24 116.869 120.084 -3.215 1
1 193 . 1 1 1 A 24 24 HIS H H 24 7.472 7.955 -0.483 1
1 194 . 1 1 1 A 24 24 HIS CA C 24 55.417 55.482 -0.065 1
1 195 . 1 1 1 A 24 24 HIS HA H 24 4.878 4.810 0.068 1
1 196 . 1 1 1 A 24 24 HIS CB C 24 33.557 31.633 1.924 1
1 203 . 1 1 1 A 24 24 HIS C C 24 175.289 175.049 0.240 1
1 204 . 1 1 1 A 25 25 HIS CA C 25 60.380 59.554 0.826 1
1 205 . 1 1 1 A 25 25 HIS HA H 25 3.237 2.265 0.972 1
1 206 . 1 1 1 A 25 25 HIS CB C 25 30.379 29.902 0.477 1
1 213 . 1 1 1 A 26 26 ALA CA C 26 54.987 54.899 0.088 1
1 214 . 1 1 1 A 26 26 ALA HA H 26 4.047 3.510 0.537 1
1 215 . 1 1 1 A 26 26 ALA CB C 26 17.884 18.552 -0.668 1
1 219 . 1 1 1 A 26 26 ALA C C 26 180.284 179.906 0.378 1
1 220 . 1 1 1 A 27 27 SER N N 27 112.465 113.689 -1.224 1
1 221 . 1 1 1 A 27 27 SER H H 27 7.065 7.914 -0.849 1
1 222 . 1 1 1 A 27 27 SER CA C 27 60.698 61.687 -0.989 1
1 223 . 1 1 1 A 27 27 SER HA H 27 4.166 4.039 0.127 1
1 224 . 1 1 1 A 27 27 SER CB C 27 62.410 62.935 -0.525 1
1 227 . 1 1 1 A 27 27 SER C C 27 176.636 175.674 0.962 1
1 228 . 1 1 1 A 28 28 LEU N N 28 124.235 121.709 2.526 1
1 229 . 1 1 1 A 28 28 LEU H H 28 7.071 7.845 -0.774 1
1 230 . 1 1 1 A 28 28 LEU CA C 28 58.002 57.299 0.703 1
1 231 . 1 1 1 A 28 28 LEU HA H 28 3.173 3.450 -0.277 1
1 232 . 1 1 1 A 28 28 LEU CB C 28 40.109 41.688 -1.579 1
1 245 . 1 1 1 A 28 28 LEU C C 28 177.670 177.948 -0.278 1
1 246 . 1 1 1 A 29 29 THR N N 29 114.830 113.961 0.869 1
1 247 . 1 1 1 A 29 29 THR H H 29 8.211 7.556 0.655 1
1 248 . 1 1 1 A 29 29 THR CA C 29 66.228 65.021 1.207 1
1 249 . 1 1 1 A 29 29 THR HA H 29 3.893 3.817 0.076 1
1 250 . 1 1 1 A 29 29 THR CB C 29 68.192 68.606 -0.414 1
1 256 . 1 1 1 A 29 29 THR C C 29 177.331 176.259 1.072 1
1 257 . 1 1 1 A 30 30 GLN N N 30 120.065 120.724 -0.659 1
1 258 . 1 1 1 A 30 30 GLN H H 30 7.587 7.769 -0.182 1
1 259 . 1 1 1 A 30 30 GLN CA C 30 58.742 58.396 0.346 1
1 260 . 1 1 1 A 30 30 GLN HA H 30 3.938 3.987 -0.049 1
1 261 . 1 1 1 A 30 30 GLN CB C 30 28.472 28.718 -0.246 1
1 270 . 1 1 1 A 30 30 GLN C C 30 178.472 178.209 0.263 1
1 271 . 1 1 1 A 31 31 HIS N N 31 119.314 119.710 -0.396 1
1 272 . 1 1 1 A 31 31 HIS H H 31 7.556 7.746 -0.190 1
1 273 . 1 1 1 A 31 31 HIS CA C 31 58.950 59.627 -0.677 1
1 274 . 1 1 1 A 31 31 HIS HA H 31 4.200 4.222 -0.022 1
1 275 . 1 1 1 A 31 31 HIS CB C 31 28.343 29.479 -1.136 1
1 282 . 1 1 1 A 31 31 HIS C C 31 176.128 176.524 -0.396 1
1 283 . 1 1 1 A 32 32 GLN N N 32 115.215 117.245 -2.030 1
1 284 . 1 1 1 A 32 32 GLN H H 32 8.232 8.239 -0.007 1
1 285 . 1 1 1 A 32 32 GLN CA C 32 59.474 59.171 0.303 1
1 286 . 1 1 1 A 32 32 GLN HA H 32 3.602 3.998 -0.396 1
1 287 . 1 1 1 A 32 32 GLN CB C 32 28.296 28.333 -0.037 1
1 296 . 1 1 1 A 32 32 GLN C C 32 177.517 178.534 -1.017 1
1 297 . 1 1 1 A 33 33 ARG N N 33 118.018 120.305 -2.287 1
1 298 . 1 1 1 A 33 33 ARG H H 33 7.107 7.816 -0.709 1
1 299 . 1 1 1 A 33 33 ARG CA C 33 58.590 59.206 -0.616 1
1 300 . 1 1 1 A 33 33 ARG HA H 33 4.093 3.905 0.188 1
1 301 . 1 1 1 A 33 33 ARG CB C 33 30.049 29.925 0.124 1
1 310 . 1 1 1 A 33 33 ARG C C 33 178.675 178.249 0.426 1
1 311 . 1 1 1 A 34 34 VAL N N 34 116.143 116.723 -0.580 1
1 312 . 1 1 1 A 34 34 VAL H H 34 7.914 7.866 0.048 1
1 313 . 1 1 1 A 34 34 VAL CA C 34 64.036 65.124 -1.088 1
1 314 . 1 1 1 A 34 34 VAL HA H 34 3.908 3.766 0.142 1
1 315 . 1 1 1 A 34 34 VAL CB C 34 31.098 30.878 0.220 1
1 325 . 1 1 1 A 34 34 VAL C C 34 177.283 175.881 1.402 1
1 326 . 1 1 1 A 35 35 HIS N N 35 116.733 120.869 -4.136 1
1 327 . 1 1 1 A 35 35 HIS H H 35 7.116 7.905 -0.789 1
1 328 . 1 1 1 A 35 35 HIS CA C 35 54.703 55.149 -0.446 1
1 329 . 1 1 1 A 35 35 HIS HA H 35 4.904 4.819 0.085 1
1 330 . 1 1 1 A 35 35 HIS CB C 35 28.407 31.563 -3.156 1
1 337 . 1 1 1 A 35 35 HIS C C 35 175.439 175.787 -0.348 1
1 338 . 1 1 1 A 36 36 SER N N 36 114.877 118.944 -4.067 1
1 339 . 1 1 1 A 36 36 SER H H 36 7.726 9.088 -1.362 1
1 340 . 1 1 1 A 36 36 SER CA C 36 59.166 60.966 -1.800 1
1 341 . 1 1 1 A 36 36 SER HA H 36 4.425 4.016 0.409 1
1 342 . 1 1 1 A 36 36 SER CB C 36 63.898 63.777 0.121 1
1 345 . 1 1 1 A 36 36 SER C C 36 175.093 174.604 0.489 1
1 346 . 1 1 1 A 37 37 GLY N N 37 110.867 107.802 3.065 1
1 347 . 1 1 1 A 37 37 GLY H H 37 8.365 7.760 0.605 1
1 348 . 1 1 1 A 37 37 GLY CA C 37 45.313 44.972 0.341 1
1 349 . 1 1 1 A 37 37 GLY HA2 H 37 3.980 4.028 -0.048 1
1 350 . 1 1 1 A 37 37 GLY HA3 H 37 3.980 4.033 -0.053 1
1 351 . 1 1 1 A 37 37 GLY C C 37 174.083 173.246 0.837 1
1 352 . 1 1 1 A 38 38 GLU N N 38 120.469 119.867 0.602 1
1 353 . 1 1 1 A 38 38 GLU H H 38 8.039 8.457 -0.418 1
1 354 . 1 1 1 A 38 38 GLU CA C 38 56.391 55.644 0.747 1
1 355 . 1 1 1 A 38 38 GLU HA H 38 4.249 4.623 -0.374 1
1 356 . 1 1 1 A 38 38 GLU CB C 38 30.526 28.531 1.995 1
1 362 . 1 1 1 A 38 38 GLU C C 38 176.248 175.068 1.180 1
1 363 . 1 1 1 A 39 39 LYS N N 39 123.743 123.970 -0.227 1
1 364 . 1 1 1 A 39 39 LYS H H 39 8.418 8.064 0.354 1
1 365 . 1 1 1 A 39 39 LYS CA C 39 54.112 52.836 1.276 1
1 366 . 1 1 1 A 39 39 LYS HA H 39 4.600 4.825 -0.225 1
1 367 . 1 1 1 A 39 39 LYS CB C 39 32.515 34.380 -1.865 1
1 379 . 1 1 1 A 39 39 LYS C C 39 174.467 173.912 0.555 1
1 380 . 1 1 1 A 40 40 PRO CA C 40 63.226 62.459 0.767 1
1 381 . 1 1 1 A 40 40 PRO HA H 40 4.454 4.564 -0.110 1
1 382 . 1 1 1 A 40 40 PRO CB C 40 32.184 32.558 -0.374 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.434 44.526 0.908 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.025 4.026 -0.001 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.025 4.029 -0.004 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.512 173.061 1.451 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.809 117.148 -4.339 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.155 8.204 -0.049 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.803 62.864 -1.061 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.362 4.468 -0.106 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.812 69.272 0.540 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.229 173.991 1.238 1
1 16 . 2 1 1 A 9 9 GLY N N 9 111.010 112.646 -1.636 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.454 8.333 0.121 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.274 45.714 -0.440 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 3.960 4.191 -0.231 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.901 4.194 -0.293 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.065 173.865 0.200 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.229 119.806 0.423 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.235 8.840 -0.605 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.899 57.356 -0.457 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.175 4.443 -0.268 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.419 31.521 -1.102 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.478 176.178 0.300 1
1 33 . 2 1 1 A 11 11 LYS N N 11 121.796 118.620 3.176 1
1 34 . 2 1 1 A 11 11 LYS H H 11 8.316 7.604 0.712 1
1 35 . 2 1 1 A 11 11 LYS CA C 11 53.820 53.996 -0.176 1
1 36 . 2 1 1 A 11 11 LYS HA H 11 4.478 4.832 -0.354 1
1 37 . 2 1 1 A 11 11 LYS CB C 11 33.093 33.029 0.064 1
1 49 . 2 1 1 A 11 11 LYS C C 11 173.770 174.787 -1.017 1
1 50 . 2 1 1 A 12 12 PRO CA C 12 63.394 63.910 -0.516 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.276 4.428 -0.152 1
1 52 . 2 1 1 A 12 12 PRO CB C 12 32.241 31.271 0.970 1
1 61 . 2 1 1 A 12 12 PRO C C 12 176.311 175.575 0.736 1
1 62 . 2 1 1 A 13 13 TYR N N 13 118.293 119.756 -1.463 1
1 63 . 2 1 1 A 13 13 TYR H H 13 7.943 7.510 0.433 1
1 64 . 2 1 1 A 13 13 TYR CA C 13 57.354 57.396 -0.042 1
1 65 . 2 1 1 A 13 13 TYR HA H 13 4.622 5.197 -0.575 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.729 40.827 -2.098 1
1 77 . 2 1 1 A 13 13 TYR C C 13 174.554 174.858 -0.304 1
1 78 . 2 1 1 A 14 14 GLU N N 14 123.940 123.508 0.432 1
1 79 . 2 1 1 A 14 14 GLU H H 14 8.632 8.971 -0.339 1
1 80 . 2 1 1 A 14 14 GLU CA C 14 54.907 55.761 -0.854 1
1 81 . 2 1 1 A 14 14 GLU HA H 14 4.961 5.155 -0.194 1
1 82 . 2 1 1 A 14 14 GLU CB C 14 33.273 33.974 -0.701 1
1 88 . 2 1 1 A 14 14 GLU C C 14 175.188 174.690 0.498 1
1 89 . 2 1 1 A 15 15 CYS N N 15 126.724 124.305 2.419 1
1 90 . 2 1 1 A 15 15 CYS H H 15 9.106 8.869 0.237 1
1 91 . 2 1 1 A 15 15 CYS CA C 15 59.792 58.898 0.894 1
1 92 . 2 1 1 A 15 15 CYS HA H 15 4.470 4.762 -0.292 1
1 93 . 2 1 1 A 15 15 CYS CB C 15 29.830 28.873 0.957 1
1 96 . 2 1 1 A 15 15 CYS C C 15 176.556 175.656 0.900 1
1 97 . 2 1 1 A 16 16 ASP N N 16 130.840 128.350 2.490 1
1 98 . 2 1 1 A 16 16 ASP H H 16 9.184 9.349 -0.165 1
1 99 . 2 1 1 A 16 16 ASP CA C 16 56.098 54.325 1.773 1
1 100 . 2 1 1 A 16 16 ASP HA H 16 4.423 4.894 -0.471 1
1 101 . 2 1 1 A 16 16 ASP CB C 16 40.221 41.260 -1.039 1
1 104 . 2 1 1 A 16 16 ASP C C 16 175.891 176.532 -0.641 1
1 105 . 2 1 1 A 17 17 VAL N N 17 121.778 118.309 3.469 1
1 106 . 2 1 1 A 17 17 VAL H H 17 8.715 8.015 0.700 1
1 107 . 2 1 1 A 17 17 VAL CA C 17 65.079 63.547 1.532 1
1 108 . 2 1 1 A 17 17 VAL HA H 17 3.802 4.188 -0.386 1
1 109 . 2 1 1 A 17 17 VAL CB C 17 33.070 34.016 -0.946 1
1 119 . 2 1 1 A 17 17 VAL C C 17 177.159 177.185 -0.026 1
1 120 . 2 1 1 A 18 18 CYS N N 18 116.273 115.688 0.585 1
1 121 . 2 1 1 A 18 18 CYS H H 18 8.033 8.057 -0.024 1
1 122 . 2 1 1 A 18 18 CYS CA C 18 58.364 58.149 0.215 1
1 123 . 2 1 1 A 18 18 CYS HA H 18 5.063 4.472 0.591 1
1 124 . 2 1 1 A 18 18 CYS CB C 18 32.219 29.428 2.791 1
1 127 . 2 1 1 A 18 18 CYS C C 18 175.604 174.558 1.046 1
1 128 . 2 1 1 A 19 19 ARG N N 19 116.989 116.912 0.077 1
1 129 . 2 1 1 A 19 19 ARG H H 19 8.006 7.614 0.392 1
1 130 . 2 1 1 A 19 19 ARG CA C 19 57.775 57.064 0.711 1
1 131 . 2 1 1 A 19 19 ARG HA H 19 4.185 4.182 0.003 1
1 132 . 2 1 1 A 19 19 ARG CB C 19 26.272 27.106 -0.834 1
1 141 . 2 1 1 A 19 19 ARG C C 19 175.142 174.777 0.365 1
1 142 . 2 1 1 A 20 20 LYS N N 20 122.150 118.394 3.756 1
1 143 . 2 1 1 A 20 20 LYS H H 20 7.911 7.938 -0.027 1
1 144 . 2 1 1 A 20 20 LYS CA C 20 58.232 55.220 3.012 1
1 145 . 2 1 1 A 20 20 LYS HA H 20 4.015 4.471 -0.456 1
1 146 . 2 1 1 A 20 20 LYS CB C 20 33.817 33.718 0.099 1
1 158 . 2 1 1 A 20 20 LYS C C 20 174.015 175.328 -1.313 1
1 159 . 2 1 1 A 21 21 ALA N N 21 124.525 124.330 0.195 1
1 160 . 2 1 1 A 21 21 ALA H H 21 7.843 8.670 -0.827 1
1 161 . 2 1 1 A 21 21 ALA CA C 21 50.504 49.953 0.551 1
1 162 . 2 1 1 A 21 21 ALA HA H 21 5.133 5.552 -0.419 1
1 163 . 2 1 1 A 21 21 ALA CB C 21 22.105 21.858 0.247 1
1 167 . 2 1 1 A 21 21 ALA C C 21 176.441 176.139 0.302 1
1 168 . 2 1 1 A 22 22 PHE N N 22 116.906 119.281 -2.375 1
1 169 . 2 1 1 A 22 22 PHE H H 22 8.731 8.922 -0.191 1
1 170 . 2 1 1 A 22 22 PHE CA C 22 57.273 56.395 0.878 1
1 171 . 2 1 1 A 22 22 PHE HA H 22 4.709 4.788 -0.079 1
1 172 . 2 1 1 A 22 22 PHE CB C 22 43.819 42.431 1.388 1
1 185 . 2 1 1 A 22 22 PHE C C 22 175.611 175.755 -0.144 1
1 186 . 2 1 1 A 23 23 SER CA C 23 60.514 61.544 -1.030 1
1 187 . 2 1 1 A 23 23 SER HA H 23 4.552 4.518 0.034 1
1 188 . 2 1 1 A 23 23 SER CB C 23 63.982 63.374 0.608 1
1 191 . 2 1 1 A 23 23 SER C C 23 173.478 174.403 -0.925 1
1 192 . 2 1 1 A 24 24 HIS N N 24 116.869 114.931 1.938 1
1 193 . 2 1 1 A 24 24 HIS H H 24 7.472 7.518 -0.046 1
1 194 . 2 1 1 A 24 24 HIS CA C 24 55.417 53.474 1.943 1
1 195 . 2 1 1 A 24 24 HIS HA H 24 4.878 4.755 0.123 1
1 196 . 2 1 1 A 24 24 HIS CB C 24 33.557 32.794 0.763 1
1 203 . 2 1 1 A 24 24 HIS C C 24 175.289 175.234 0.055 1
1 204 . 2 1 1 A 25 25 HIS CA C 25 60.380 58.375 2.005 1
1 205 . 2 1 1 A 25 25 HIS HA H 25 3.237 3.259 -0.022 1
1 206 . 2 1 1 A 25 25 HIS CB C 25 30.379 29.182 1.197 1
1 213 . 2 1 1 A 26 26 ALA CA C 26 54.987 54.870 0.117 1
1 214 . 2 1 1 A 26 26 ALA HA H 26 4.047 3.785 0.262 1
1 215 . 2 1 1 A 26 26 ALA CB C 26 17.884 18.047 -0.163 1
1 219 . 2 1 1 A 26 26 ALA C C 26 180.284 179.624 0.660 1
1 220 . 2 1 1 A 27 27 SER N N 27 112.465 112.578 -0.113 1
1 221 . 2 1 1 A 27 27 SER H H 27 7.065 8.059 -0.994 1
1 222 . 2 1 1 A 27 27 SER CA C 27 60.698 61.182 -0.484 1
1 223 . 2 1 1 A 27 27 SER HA H 27 4.166 4.013 0.153 1
1 224 . 2 1 1 A 27 27 SER CB C 27 62.410 61.965 0.445 1
1 227 . 2 1 1 A 27 27 SER C C 27 176.636 176.225 0.411 1
1 228 . 2 1 1 A 28 28 LEU N N 28 124.235 123.377 0.858 1
1 229 . 2 1 1 A 28 28 LEU H H 28 7.071 7.616 -0.545 1
1 230 . 2 1 1 A 28 28 LEU CA C 28 58.002 57.499 0.503 1
1 231 . 2 1 1 A 28 28 LEU HA H 28 3.173 3.418 -0.245 1
1 232 . 2 1 1 A 28 28 LEU CB C 28 40.109 41.538 -1.429 1
1 245 . 2 1 1 A 28 28 LEU C C 28 177.670 178.035 -0.365 1
1 246 . 2 1 1 A 29 29 THR N N 29 114.830 113.989 0.841 1
1 247 . 2 1 1 A 29 29 THR H H 29 8.211 7.990 0.221 1
1 248 . 2 1 1 A 29 29 THR CA C 29 66.228 65.631 0.597 1
1 249 . 2 1 1 A 29 29 THR HA H 29 3.893 3.847 0.046 1
1 250 . 2 1 1 A 29 29 THR CB C 29 68.192 69.146 -0.954 1
1 256 . 2 1 1 A 29 29 THR C C 29 177.331 176.853 0.478 1
1 257 . 2 1 1 A 30 30 GLN N N 30 120.065 120.372 -0.307 1
1 258 . 2 1 1 A 30 30 GLN H H 30 7.587 7.330 0.257 1
1 259 . 2 1 1 A 30 30 GLN CA C 30 58.742 58.312 0.430 1
1 260 . 2 1 1 A 30 30 GLN HA H 30 3.938 4.061 -0.123 1
1 261 . 2 1 1 A 30 30 GLN CB C 30 28.472 28.901 -0.429 1
1 270 . 2 1 1 A 30 30 GLN C C 30 178.472 177.598 0.874 1
1 271 . 2 1 1 A 31 31 HIS N N 31 119.314 119.615 -0.301 1
1 272 . 2 1 1 A 31 31 HIS H H 31 7.556 8.069 -0.513 1
1 273 . 2 1 1 A 31 31 HIS CA C 31 58.950 60.099 -1.149 1
1 274 . 2 1 1 A 31 31 HIS HA H 31 4.200 3.979 0.221 1
1 275 . 2 1 1 A 31 31 HIS CB C 31 28.343 29.614 -1.271 1
1 282 . 2 1 1 A 31 31 HIS C C 31 176.128 176.412 -0.284 1
1 283 . 2 1 1 A 32 32 GLN N N 32 115.215 116.612 -1.397 1
1 284 . 2 1 1 A 32 32 GLN H H 32 8.232 8.429 -0.197 1
1 285 . 2 1 1 A 32 32 GLN CA C 32 59.474 59.123 0.351 1
1 286 . 2 1 1 A 32 32 GLN HA H 32 3.602 3.781 -0.179 1
1 287 . 2 1 1 A 32 32 GLN CB C 32 28.296 28.318 -0.022 1
1 296 . 2 1 1 A 32 32 GLN C C 32 177.517 178.558 -1.041 1
1 297 . 2 1 1 A 33 33 ARG N N 33 118.018 119.821 -1.803 1
1 298 . 2 1 1 A 33 33 ARG H H 33 7.107 8.435 -1.328 1
1 299 . 2 1 1 A 33 33 ARG CA C 33 58.590 59.123 -0.533 1
1 300 . 2 1 1 A 33 33 ARG HA H 33 4.093 3.932 0.161 1
1 301 . 2 1 1 A 33 33 ARG CB C 33 30.049 29.865 0.184 1
1 310 . 2 1 1 A 33 33 ARG C C 33 178.675 178.262 0.413 1
1 311 . 2 1 1 A 34 34 VAL N N 34 116.143 117.165 -1.022 1
1 312 . 2 1 1 A 34 34 VAL H H 34 7.914 7.862 0.052 1
1 313 . 2 1 1 A 34 34 VAL CA C 34 64.036 65.270 -1.234 1
1 314 . 2 1 1 A 34 34 VAL HA H 34 3.908 3.785 0.123 1
1 315 . 2 1 1 A 34 34 VAL CB C 34 31.098 31.190 -0.092 1
1 325 . 2 1 1 A 34 34 VAL C C 34 177.283 175.997 1.286 1
1 326 . 2 1 1 A 35 35 HIS N N 35 116.733 121.157 -4.424 1
1 327 . 2 1 1 A 35 35 HIS H H 35 7.116 8.003 -0.887 1
1 328 . 2 1 1 A 35 35 HIS CA C 35 54.703 55.158 -0.455 1
1 329 . 2 1 1 A 35 35 HIS HA H 35 4.904 4.720 0.184 1
1 330 . 2 1 1 A 35 35 HIS CB C 35 28.407 29.393 -0.986 1
1 337 . 2 1 1 A 35 35 HIS C C 35 175.439 174.410 1.029 1
1 338 . 2 1 1 A 36 36 SER N N 36 114.877 121.924 -7.047 1
1 339 . 2 1 1 A 36 36 SER H H 36 7.726 9.081 -1.355 1
1 340 . 2 1 1 A 36 36 SER CA C 36 59.166 58.144 1.022 1
1 341 . 2 1 1 A 36 36 SER HA H 36 4.425 4.560 -0.135 1
1 342 . 2 1 1 A 36 36 SER CB C 36 63.898 62.224 1.674 1
1 345 . 2 1 1 A 36 36 SER C C 36 175.093 174.475 0.618 1
1 346 . 2 1 1 A 37 37 GLY N N 37 110.867 112.973 -2.106 1
1 347 . 2 1 1 A 37 37 GLY H H 37 8.365 8.349 0.016 1
1 348 . 2 1 1 A 37 37 GLY CA C 37 45.313 44.507 0.806 1
1 349 . 2 1 1 A 37 37 GLY HA2 H 37 3.980 4.096 -0.116 1
1 350 . 2 1 1 A 37 37 GLY HA3 H 37 3.980 4.098 -0.118 1
1 351 . 2 1 1 A 37 37 GLY C C 37 174.083 174.738 -0.655 1
1 352 . 2 1 1 A 38 38 GLU N N 38 120.469 117.217 3.252 1
1 353 . 2 1 1 A 38 38 GLU H H 38 8.039 8.443 -0.404 1
1 354 . 2 1 1 A 38 38 GLU CA C 38 56.391 55.758 0.633 1
1 355 . 2 1 1 A 38 38 GLU HA H 38 4.249 4.463 -0.214 1
1 356 . 2 1 1 A 38 38 GLU CB C 38 30.526 29.282 1.244 1
1 362 . 2 1 1 A 38 38 GLU C C 38 176.248 175.581 0.667 1
1 363 . 2 1 1 A 39 39 LYS N N 39 123.743 116.676 7.067 1
1 364 . 2 1 1 A 39 39 LYS H H 39 8.418 7.581 0.837 1
1 365 . 2 1 1 A 39 39 LYS CA C 39 54.112 54.569 -0.457 1
1 366 . 2 1 1 A 39 39 LYS HA H 39 4.600 4.809 -0.209 1
1 367 . 2 1 1 A 39 39 LYS CB C 39 32.515 35.191 -2.676 1
1 379 . 2 1 1 A 39 39 LYS C C 39 174.467 176.004 -1.537 1
1 380 . 2 1 1 A 40 40 PRO CA C 40 63.226 63.720 -0.494 1
1 381 . 2 1 1 A 40 40 PRO HA H 40 4.454 4.385 0.069 1
1 382 . 2 1 1 A 40 40 PRO CB C 40 32.184 31.903 0.281 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.434 46.055 -0.621 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.025 4.021 0.004 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.025 4.023 0.002 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.512 175.046 -0.534 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.809 109.714 3.095 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.155 7.936 0.219 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.803 62.696 -0.893 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.362 3.856 0.506 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.812 66.561 3.251 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.229 173.716 1.513 1
1 16 . 3 1 1 A 9 9 GLY N N 9 111.010 108.179 2.831 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.454 8.000 0.454 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.274 46.338 -1.064 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 3.960 4.008 -0.048 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.901 4.009 -0.108 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.065 174.436 -0.371 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.229 123.950 -3.721 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.235 8.810 -0.575 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.899 57.114 -0.215 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.175 4.558 -0.383 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.419 32.066 -1.647 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.478 176.492 -0.014 1
1 33 . 3 1 1 A 11 11 LYS N N 11 121.796 118.098 3.698 1
1 34 . 3 1 1 A 11 11 LYS H H 11 8.316 7.561 0.755 1
1 35 . 3 1 1 A 11 11 LYS CA C 11 53.820 52.909 0.911 1
1 36 . 3 1 1 A 11 11 LYS HA H 11 4.478 4.652 -0.174 1
1 37 . 3 1 1 A 11 11 LYS CB C 11 33.093 34.522 -1.429 1
1 49 . 3 1 1 A 11 11 LYS C C 11 173.770 176.019 -2.249 1
1 50 . 3 1 1 A 12 12 PRO CA C 12 63.394 63.834 -0.440 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.276 4.399 -0.123 1
1 52 . 3 1 1 A 12 12 PRO CB C 12 32.241 31.318 0.923 1
1 61 . 3 1 1 A 12 12 PRO C C 12 176.311 175.737 0.574 1
1 62 . 3 1 1 A 13 13 TYR N N 13 118.293 119.670 -1.377 1
1 63 . 3 1 1 A 13 13 TYR H H 13 7.943 7.222 0.721 1
1 64 . 3 1 1 A 13 13 TYR CA C 13 57.354 56.751 0.603 1
1 65 . 3 1 1 A 13 13 TYR HA H 13 4.622 5.114 -0.492 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.729 39.833 -1.104 1
1 77 . 3 1 1 A 13 13 TYR C C 13 174.554 174.322 0.232 1
1 78 . 3 1 1 A 14 14 GLU N N 14 123.940 124.923 -0.983 1
1 79 . 3 1 1 A 14 14 GLU H H 14 8.632 9.067 -0.435 1
1 80 . 3 1 1 A 14 14 GLU CA C 14 54.907 54.795 0.112 1
1 81 . 3 1 1 A 14 14 GLU HA H 14 4.961 5.659 -0.698 1
1 82 . 3 1 1 A 14 14 GLU CB C 14 33.273 33.578 -0.305 1
1 88 . 3 1 1 A 14 14 GLU C C 14 175.188 174.575 0.613 1
1 89 . 3 1 1 A 15 15 CYS N N 15 126.724 124.847 1.877 1
1 90 . 3 1 1 A 15 15 CYS H H 15 9.106 9.271 -0.165 1
1 91 . 3 1 1 A 15 15 CYS CA C 15 59.792 58.692 1.100 1
1 92 . 3 1 1 A 15 15 CYS HA H 15 4.470 4.747 -0.277 1
1 93 . 3 1 1 A 15 15 CYS CB C 15 29.830 29.427 0.403 1
1 96 . 3 1 1 A 15 15 CYS C C 15 176.556 174.039 2.517 1
1 97 . 3 1 1 A 16 16 ASP N N 16 130.840 124.612 6.228 1
1 98 . 3 1 1 A 16 16 ASP H H 16 9.184 9.014 0.170 1
1 99 . 3 1 1 A 16 16 ASP CA C 16 56.098 55.710 0.388 1
1 100 . 3 1 1 A 16 16 ASP HA H 16 4.423 4.796 -0.373 1
1 101 . 3 1 1 A 16 16 ASP CB C 16 40.221 42.791 -2.570 1
1 104 . 3 1 1 A 16 16 ASP C C 16 175.891 177.955 -2.064 1
1 105 . 3 1 1 A 17 17 VAL N N 17 121.778 118.863 2.915 1
1 106 . 3 1 1 A 17 17 VAL H H 17 8.715 7.746 0.969 1
1 107 . 3 1 1 A 17 17 VAL CA C 17 65.079 66.667 -1.588 1
1 108 . 3 1 1 A 17 17 VAL HA H 17 3.802 3.439 0.363 1
1 109 . 3 1 1 A 17 17 VAL CB C 17 33.070 31.090 1.980 1
1 119 . 3 1 1 A 17 17 VAL C C 17 177.159 177.342 -0.183 1
1 120 . 3 1 1 A 18 18 CYS N N 18 116.273 115.611 0.662 1
1 121 . 3 1 1 A 18 18 CYS H H 18 8.033 7.777 0.256 1
1 122 . 3 1 1 A 18 18 CYS CA C 18 58.364 59.604 -1.240 1
1 123 . 3 1 1 A 18 18 CYS HA H 18 5.063 4.468 0.595 1
1 124 . 3 1 1 A 18 18 CYS CB C 18 32.219 29.070 3.149 1
1 127 . 3 1 1 A 18 18 CYS C C 18 175.604 174.700 0.904 1
1 128 . 3 1 1 A 19 19 ARG N N 19 116.989 116.780 0.209 1
1 129 . 3 1 1 A 19 19 ARG H H 19 8.006 7.918 0.088 1
1 130 . 3 1 1 A 19 19 ARG CA C 19 57.775 57.092 0.683 1
1 131 . 3 1 1 A 19 19 ARG HA H 19 4.185 4.280 -0.095 1
1 132 . 3 1 1 A 19 19 ARG CB C 19 26.272 27.155 -0.883 1
1 141 . 3 1 1 A 19 19 ARG C C 19 175.142 174.321 0.821 1
1 142 . 3 1 1 A 20 20 LYS N N 20 122.150 118.886 3.264 1
1 143 . 3 1 1 A 20 20 LYS H H 20 7.911 7.859 0.052 1
1 144 . 3 1 1 A 20 20 LYS CA C 20 58.232 55.701 2.531 1
1 145 . 3 1 1 A 20 20 LYS HA H 20 4.015 4.633 -0.618 1
1 146 . 3 1 1 A 20 20 LYS CB C 20 33.817 34.089 -0.272 1
1 158 . 3 1 1 A 20 20 LYS C C 20 174.015 175.381 -1.366 1
1 159 . 3 1 1 A 21 21 ALA N N 21 124.525 127.160 -2.635 1
1 160 . 3 1 1 A 21 21 ALA H H 21 7.843 8.579 -0.736 1
1 161 . 3 1 1 A 21 21 ALA CA C 21 50.504 50.026 0.478 1
1 162 . 3 1 1 A 21 21 ALA HA H 21 5.133 5.800 -0.667 1
1 163 . 3 1 1 A 21 21 ALA CB C 21 22.105 21.092 1.013 1
1 167 . 3 1 1 A 21 21 ALA C C 21 176.441 176.432 0.009 1
1 168 . 3 1 1 A 22 22 PHE N N 22 116.906 120.314 -3.408 1
1 169 . 3 1 1 A 22 22 PHE H H 22 8.731 9.176 -0.445 1
1 170 . 3 1 1 A 22 22 PHE CA C 22 57.273 56.270 1.003 1
1 171 . 3 1 1 A 22 22 PHE HA H 22 4.709 5.100 -0.391 1
1 172 . 3 1 1 A 22 22 PHE CB C 22 43.819 43.285 0.534 1
1 185 . 3 1 1 A 22 22 PHE C C 22 175.611 175.389 0.222 1
1 186 . 3 1 1 A 23 23 SER CA C 23 60.514 57.711 2.803 1
1 187 . 3 1 1 A 23 23 SER HA H 23 4.552 4.978 -0.426 1
1 188 . 3 1 1 A 23 23 SER CB C 23 63.982 63.414 0.568 1
1 191 . 3 1 1 A 23 23 SER C C 23 173.478 173.960 -0.482 1
1 192 . 3 1 1 A 24 24 HIS N N 24 116.869 119.804 -2.935 1
1 193 . 3 1 1 A 24 24 HIS H H 24 7.472 8.008 -0.536 1
1 194 . 3 1 1 A 24 24 HIS CA C 24 55.417 56.300 -0.883 1
1 195 . 3 1 1 A 24 24 HIS HA H 24 4.878 4.798 0.080 1
1 196 . 3 1 1 A 24 24 HIS CB C 24 33.557 32.000 1.557 1
1 203 . 3 1 1 A 24 24 HIS C C 24 175.289 174.735 0.554 1
1 204 . 3 1 1 A 25 25 HIS CA C 25 60.380 58.588 1.792 1
1 205 . 3 1 1 A 25 25 HIS HA H 25 3.237 2.678 0.559 1
1 206 . 3 1 1 A 25 25 HIS CB C 25 30.379 28.591 1.788 1
1 213 . 3 1 1 A 26 26 ALA CA C 26 54.987 54.858 0.129 1
1 214 . 3 1 1 A 26 26 ALA HA H 26 4.047 3.715 0.332 1
1 215 . 3 1 1 A 26 26 ALA CB C 26 17.884 17.826 0.058 1
1 219 . 3 1 1 A 26 26 ALA C C 26 180.284 179.212 1.072 1
1 220 . 3 1 1 A 27 27 SER N N 27 112.465 112.718 -0.253 1
1 221 . 3 1 1 A 27 27 SER H H 27 7.065 7.731 -0.666 1
1 222 . 3 1 1 A 27 27 SER CA C 27 60.698 60.922 -0.224 1
1 223 . 3 1 1 A 27 27 SER HA H 27 4.166 3.984 0.182 1
1 224 . 3 1 1 A 27 27 SER CB C 27 62.410 62.972 -0.562 1
1 227 . 3 1 1 A 27 27 SER C C 27 176.636 176.354 0.282 1
1 228 . 3 1 1 A 28 28 LEU N N 28 124.235 122.190 2.045 1
1 229 . 3 1 1 A 28 28 LEU H H 28 7.071 7.252 -0.181 1
1 230 . 3 1 1 A 28 28 LEU CA C 28 58.002 57.256 0.746 1
1 231 . 3 1 1 A 28 28 LEU HA H 28 3.173 3.480 -0.307 1
1 232 . 3 1 1 A 28 28 LEU CB C 28 40.109 41.817 -1.708 1
1 245 . 3 1 1 A 28 28 LEU C C 28 177.670 177.957 -0.287 1
1 246 . 3 1 1 A 29 29 THR N N 29 114.830 113.936 0.894 1
1 247 . 3 1 1 A 29 29 THR H H 29 8.211 7.870 0.341 1
1 248 . 3 1 1 A 29 29 THR CA C 29 66.228 64.729 1.499 1
1 249 . 3 1 1 A 29 29 THR HA H 29 3.893 3.906 -0.013 1
1 250 . 3 1 1 A 29 29 THR CB C 29 68.192 68.628 -0.436 1
1 256 . 3 1 1 A 29 29 THR C C 29 177.331 175.984 1.347 1
1 257 . 3 1 1 A 30 30 GLN N N 30 120.065 120.882 -0.817 1
1 258 . 3 1 1 A 30 30 GLN H H 30 7.587 7.701 -0.114 1
1 259 . 3 1 1 A 30 30 GLN CA C 30 58.742 57.973 0.769 1
1 260 . 3 1 1 A 30 30 GLN HA H 30 3.938 4.150 -0.212 1
1 261 . 3 1 1 A 30 30 GLN CB C 30 28.472 29.192 -0.720 1
1 270 . 3 1 1 A 30 30 GLN C C 30 178.472 177.954 0.518 1
1 271 . 3 1 1 A 31 31 HIS N N 31 119.314 120.012 -0.698 1
1 272 . 3 1 1 A 31 31 HIS H H 31 7.556 7.871 -0.315 1
1 273 . 3 1 1 A 31 31 HIS CA C 31 58.950 59.785 -0.835 1
1 274 . 3 1 1 A 31 31 HIS HA H 31 4.200 4.088 0.112 1
1 275 . 3 1 1 A 31 31 HIS CB C 31 28.343 29.431 -1.088 1
1 282 . 3 1 1 A 31 31 HIS C C 31 176.128 176.520 -0.392 1
1 283 . 3 1 1 A 32 32 GLN N N 32 115.215 117.200 -1.985 1
1 284 . 3 1 1 A 32 32 GLN H H 32 8.232 8.129 0.103 1
1 285 . 3 1 1 A 32 32 GLN CA C 32 59.474 59.210 0.264 1
1 286 . 3 1 1 A 32 32 GLN HA H 32 3.602 3.828 -0.226 1
1 287 . 3 1 1 A 32 32 GLN CB C 32 28.296 28.311 -0.015 1
1 296 . 3 1 1 A 32 32 GLN C C 32 177.517 178.522 -1.005 1
1 297 . 3 1 1 A 33 33 ARG N N 33 118.018 120.267 -2.249 1
1 298 . 3 1 1 A 33 33 ARG H H 33 7.107 8.178 -1.071 1
1 299 . 3 1 1 A 33 33 ARG CA C 33 58.590 59.163 -0.573 1
1 300 . 3 1 1 A 33 33 ARG HA H 33 4.093 3.909 0.184 1
1 301 . 3 1 1 A 33 33 ARG CB C 33 30.049 29.733 0.316 1
1 310 . 3 1 1 A 33 33 ARG C C 33 178.675 178.536 0.139 1
1 311 . 3 1 1 A 34 34 VAL N N 34 116.143 116.894 -0.751 1
1 312 . 3 1 1 A 34 34 VAL H H 34 7.914 7.936 -0.022 1
1 313 . 3 1 1 A 34 34 VAL CA C 34 64.036 65.269 -1.233 1
1 314 . 3 1 1 A 34 34 VAL HA H 34 3.908 3.747 0.161 1
1 315 . 3 1 1 A 34 34 VAL CB C 34 31.098 30.902 0.196 1
1 325 . 3 1 1 A 34 34 VAL C C 34 177.283 175.992 1.291 1
1 326 . 3 1 1 A 35 35 HIS N N 35 116.733 120.539 -3.806 1
1 327 . 3 1 1 A 35 35 HIS H H 35 7.116 7.724 -0.608 1
1 328 . 3 1 1 A 35 35 HIS CA C 35 54.703 55.109 -0.406 1
1 329 . 3 1 1 A 35 35 HIS HA H 35 4.904 4.905 -0.001 1
1 330 . 3 1 1 A 35 35 HIS CB C 35 28.407 31.139 -2.732 1
1 337 . 3 1 1 A 35 35 HIS C C 35 175.439 174.311 1.128 1
1 338 . 3 1 1 A 36 36 SER N N 36 114.877 118.232 -3.355 1
1 339 . 3 1 1 A 36 36 SER H H 36 7.726 8.913 -1.187 1
1 340 . 3 1 1 A 36 36 SER CA C 36 59.166 56.756 2.410 1
1 341 . 3 1 1 A 36 36 SER HA H 36 4.425 5.303 -0.878 1
1 342 . 3 1 1 A 36 36 SER CB C 36 63.898 64.717 -0.819 1
1 345 . 3 1 1 A 36 36 SER C C 36 175.093 174.038 1.055 1
1 346 . 3 1 1 A 37 37 GLY N N 37 110.867 111.504 -0.637 1
1 347 . 3 1 1 A 37 37 GLY H H 37 8.365 8.750 -0.385 1
1 348 . 3 1 1 A 37 37 GLY CA C 37 45.313 45.225 0.088 1
1 349 . 3 1 1 A 37 37 GLY HA2 H 37 3.980 4.281 -0.301 1
1 350 . 3 1 1 A 37 37 GLY HA3 H 37 3.980 4.283 -0.303 1
1 351 . 3 1 1 A 37 37 GLY C C 37 174.083 174.236 -0.153 1
1 352 . 3 1 1 A 38 38 GLU N N 38 120.469 125.179 -4.710 1
1 353 . 3 1 1 A 38 38 GLU H H 38 8.039 8.873 -0.834 1
1 354 . 3 1 1 A 38 38 GLU CA C 38 56.391 58.005 -1.614 1
1 355 . 3 1 1 A 38 38 GLU HA H 38 4.249 4.267 -0.018 1
1 356 . 3 1 1 A 38 38 GLU CB C 38 30.526 29.697 0.829 1
1 362 . 3 1 1 A 38 38 GLU C C 38 176.248 176.808 -0.560 1
1 363 . 3 1 1 A 39 39 LYS N N 39 123.743 116.906 6.837 1
1 364 . 3 1 1 A 39 39 LYS H H 39 8.418 7.775 0.643 1
1 365 . 3 1 1 A 39 39 LYS CA C 39 54.112 53.677 0.435 1
1 366 . 3 1 1 A 39 39 LYS HA H 39 4.600 4.657 -0.057 1
1 367 . 3 1 1 A 39 39 LYS CB C 39 32.515 32.659 -0.144 1
1 379 . 3 1 1 A 39 39 LYS C C 39 174.467 176.193 -1.726 1
1 380 . 3 1 1 A 40 40 PRO CA C 40 63.226 64.916 -1.690 1
1 381 . 3 1 1 A 40 40 PRO HA H 40 4.454 4.432 0.022 1
1 382 . 3 1 1 A 40 40 PRO CB C 40 32.184 32.131 0.053 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.434 44.508 0.926 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.025 4.022 0.003 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.025 4.022 0.003 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.512 172.622 1.890 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.809 112.138 0.671 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.155 8.300 -0.145 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.803 59.460 2.343 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.362 5.165 -0.803 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.812 71.332 -1.520 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.229 173.351 1.878 1
1 16 . 4 1 1 A 9 9 GLY N N 9 111.010 108.930 2.080 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.454 8.196 0.258 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.274 44.316 0.958 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 3.960 4.134 -0.174 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.901 4.135 -0.234 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.065 173.728 0.337 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.229 120.839 -0.610 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.235 8.659 -0.424 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.899 55.972 0.927 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.175 4.391 -0.216 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.419 29.231 1.188 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.478 176.825 -0.347 1
1 33 . 4 1 1 A 11 11 LYS N N 11 121.796 118.134 3.662 1
1 34 . 4 1 1 A 11 11 LYS H H 11 8.316 7.802 0.514 1
1 35 . 4 1 1 A 11 11 LYS CA C 11 53.820 54.169 -0.349 1
1 36 . 4 1 1 A 11 11 LYS HA H 11 4.478 4.713 -0.235 1
1 37 . 4 1 1 A 11 11 LYS CB C 11 33.093 32.387 0.706 1
1 49 . 4 1 1 A 11 11 LYS C C 11 173.770 176.487 -2.717 1
1 50 . 4 1 1 A 12 12 PRO CA C 12 63.394 63.951 -0.557 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.276 4.387 -0.111 1
1 52 . 4 1 1 A 12 12 PRO CB C 12 32.241 31.138 1.103 1
1 61 . 4 1 1 A 12 12 PRO C C 12 176.311 175.681 0.630 1
1 62 . 4 1 1 A 13 13 TYR N N 13 118.293 119.477 -1.184 1
1 63 . 4 1 1 A 13 13 TYR H H 13 7.943 7.353 0.590 1
1 64 . 4 1 1 A 13 13 TYR CA C 13 57.354 56.826 0.528 1
1 65 . 4 1 1 A 13 13 TYR HA H 13 4.622 5.319 -0.697 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.729 41.373 -2.644 1
1 77 . 4 1 1 A 13 13 TYR C C 13 174.554 175.031 -0.477 1
1 78 . 4 1 1 A 14 14 GLU N N 14 123.940 122.643 1.297 1
1 79 . 4 1 1 A 14 14 GLU H H 14 8.632 8.942 -0.310 1
1 80 . 4 1 1 A 14 14 GLU CA C 14 54.907 54.444 0.463 1
1 81 . 4 1 1 A 14 14 GLU HA H 14 4.961 5.444 -0.483 1
1 82 . 4 1 1 A 14 14 GLU CB C 14 33.273 34.229 -0.956 1
1 88 . 4 1 1 A 14 14 GLU C C 14 175.188 174.590 0.598 1
1 89 . 4 1 1 A 15 15 CYS N N 15 126.724 121.722 5.002 1
1 90 . 4 1 1 A 15 15 CYS H H 15 9.106 8.656 0.450 1
1 91 . 4 1 1 A 15 15 CYS CA C 15 59.792 57.678 2.114 1
1 92 . 4 1 1 A 15 15 CYS HA H 15 4.470 5.000 -0.530 1
1 93 . 4 1 1 A 15 15 CYS CB C 15 29.830 29.835 -0.005 1
1 96 . 4 1 1 A 15 15 CYS C C 15 176.556 175.677 0.879 1
1 97 . 4 1 1 A 16 16 ASP N N 16 130.840 127.991 2.849 1
1 98 . 4 1 1 A 16 16 ASP H H 16 9.184 9.122 0.062 1
1 99 . 4 1 1 A 16 16 ASP CA C 16 56.098 53.725 2.373 1
1 100 . 4 1 1 A 16 16 ASP HA H 16 4.423 4.876 -0.453 1
1 101 . 4 1 1 A 16 16 ASP CB C 16 40.221 41.002 -0.781 1
1 104 . 4 1 1 A 16 16 ASP C C 16 175.891 177.171 -1.280 1
1 105 . 4 1 1 A 17 17 VAL N N 17 121.778 118.555 3.223 1
1 106 . 4 1 1 A 17 17 VAL H H 17 8.715 8.080 0.635 1
1 107 . 4 1 1 A 17 17 VAL CA C 17 65.079 63.668 1.411 1
1 108 . 4 1 1 A 17 17 VAL HA H 17 3.802 4.162 -0.360 1
1 109 . 4 1 1 A 17 17 VAL CB C 17 33.070 33.790 -0.720 1
1 119 . 4 1 1 A 17 17 VAL C C 17 177.159 177.271 -0.112 1
1 120 . 4 1 1 A 18 18 CYS N N 18 116.273 115.736 0.537 1
1 121 . 4 1 1 A 18 18 CYS H H 18 8.033 8.031 0.002 1
1 122 . 4 1 1 A 18 18 CYS CA C 18 58.364 58.241 0.123 1
1 123 . 4 1 1 A 18 18 CYS HA H 18 5.063 4.437 0.626 1
1 124 . 4 1 1 A 18 18 CYS CB C 18 32.219 28.560 3.659 1
1 127 . 4 1 1 A 18 18 CYS C C 18 175.604 174.291 1.313 1
1 128 . 4 1 1 A 19 19 ARG N N 19 116.989 116.900 0.089 1
1 129 . 4 1 1 A 19 19 ARG H H 19 8.006 7.649 0.357 1
1 130 . 4 1 1 A 19 19 ARG CA C 19 57.775 57.101 0.674 1
1 131 . 4 1 1 A 19 19 ARG HA H 19 4.185 4.232 -0.047 1
1 132 . 4 1 1 A 19 19 ARG CB C 19 26.272 27.081 -0.809 1
1 141 . 4 1 1 A 19 19 ARG C C 19 175.142 174.225 0.917 1
1 142 . 4 1 1 A 20 20 LYS N N 20 122.150 118.940 3.210 1
1 143 . 4 1 1 A 20 20 LYS H H 20 7.911 7.887 0.024 1
1 144 . 4 1 1 A 20 20 LYS CA C 20 58.232 55.280 2.952 1
1 145 . 4 1 1 A 20 20 LYS HA H 20 4.015 4.680 -0.665 1
1 146 . 4 1 1 A 20 20 LYS CB C 20 33.817 34.451 -0.634 1
1 158 . 4 1 1 A 20 20 LYS C C 20 174.015 175.231 -1.216 1
1 159 . 4 1 1 A 21 21 ALA N N 21 124.525 128.285 -3.760 1
1 160 . 4 1 1 A 21 21 ALA H H 21 7.843 8.884 -1.041 1
1 161 . 4 1 1 A 21 21 ALA CA C 21 50.504 50.649 -0.145 1
1 162 . 4 1 1 A 21 21 ALA HA H 21 5.133 5.775 -0.642 1
1 163 . 4 1 1 A 21 21 ALA CB C 21 22.105 21.248 0.857 1
1 167 . 4 1 1 A 21 21 ALA C C 21 176.441 176.536 -0.095 1
1 168 . 4 1 1 A 22 22 PHE N N 22 116.906 118.990 -2.084 1
1 169 . 4 1 1 A 22 22 PHE H H 22 8.731 8.755 -0.024 1
1 170 . 4 1 1 A 22 22 PHE CA C 22 57.273 56.740 0.533 1
1 171 . 4 1 1 A 22 22 PHE HA H 22 4.709 4.916 -0.207 1
1 172 . 4 1 1 A 22 22 PHE CB C 22 43.819 42.467 1.352 1
1 185 . 4 1 1 A 22 22 PHE C C 22 175.611 176.254 -0.643 1
1 186 . 4 1 1 A 23 23 SER CA C 23 60.514 62.647 -2.133 1
1 187 . 4 1 1 A 23 23 SER HA H 23 4.552 4.436 0.116 1
1 188 . 4 1 1 A 23 23 SER CB C 23 63.982 63.534 0.448 1
1 191 . 4 1 1 A 23 23 SER C C 23 173.478 174.486 -1.008 1
1 192 . 4 1 1 A 24 24 HIS N N 24 116.869 118.977 -2.108 1
1 193 . 4 1 1 A 24 24 HIS H H 24 7.472 8.191 -0.719 1
1 194 . 4 1 1 A 24 24 HIS CA C 24 55.417 54.720 0.697 1
1 195 . 4 1 1 A 24 24 HIS HA H 24 4.878 5.081 -0.203 1
1 196 . 4 1 1 A 24 24 HIS CB C 24 33.557 31.876 1.681 1
1 203 . 4 1 1 A 24 24 HIS C C 24 175.289 175.611 -0.322 1
1 204 . 4 1 1 A 25 25 HIS CA C 25 60.380 60.146 0.234 1
1 205 . 4 1 1 A 25 25 HIS HA H 25 3.237 3.239 -0.002 1
1 206 . 4 1 1 A 25 25 HIS CB C 25 30.379 29.821 0.558 1
1 213 . 4 1 1 A 26 26 ALA CA C 26 54.987 55.284 -0.297 1
1 214 . 4 1 1 A 26 26 ALA HA H 26 4.047 3.726 0.321 1
1 215 . 4 1 1 A 26 26 ALA CB C 26 17.884 18.701 -0.817 1
1 219 . 4 1 1 A 26 26 ALA C C 26 180.284 179.635 0.649 1
1 220 . 4 1 1 A 27 27 SER N N 27 112.465 112.554 -0.089 1
1 221 . 4 1 1 A 27 27 SER H H 27 7.065 8.272 -1.207 1
1 222 . 4 1 1 A 27 27 SER CA C 27 60.698 61.425 -0.727 1
1 223 . 4 1 1 A 27 27 SER HA H 27 4.166 4.134 0.032 1
1 224 . 4 1 1 A 27 27 SER CB C 27 62.410 63.235 -0.825 1
1 227 . 4 1 1 A 27 27 SER C C 27 176.636 176.560 0.076 1
1 228 . 4 1 1 A 28 28 LEU N N 28 124.235 122.085 2.150 1
1 229 . 4 1 1 A 28 28 LEU H H 28 7.071 7.886 -0.815 1
1 230 . 4 1 1 A 28 28 LEU CA C 28 58.002 57.084 0.918 1
1 231 . 4 1 1 A 28 28 LEU HA H 28 3.173 3.045 0.128 1
1 232 . 4 1 1 A 28 28 LEU CB C 28 40.109 41.147 -1.038 1
1 245 . 4 1 1 A 28 28 LEU C C 28 177.670 178.376 -0.706 1
1 246 . 4 1 1 A 29 29 THR N N 29 114.830 114.455 0.375 1
1 247 . 4 1 1 A 29 29 THR H H 29 8.211 8.003 0.208 1
1 248 . 4 1 1 A 29 29 THR CA C 29 66.228 66.480 -0.252 1
1 249 . 4 1 1 A 29 29 THR HA H 29 3.893 3.579 0.314 1
1 250 . 4 1 1 A 29 29 THR CB C 29 68.192 68.301 -0.109 1
1 256 . 4 1 1 A 29 29 THR C C 29 177.331 176.228 1.103 1
1 257 . 4 1 1 A 30 30 GLN N N 30 120.065 121.220 -1.155 1
1 258 . 4 1 1 A 30 30 GLN H H 30 7.587 8.274 -0.687 1
1 259 . 4 1 1 A 30 30 GLN CA C 30 58.742 58.711 0.031 1
1 260 . 4 1 1 A 30 30 GLN HA H 30 3.938 3.894 0.044 1
1 261 . 4 1 1 A 30 30 GLN CB C 30 28.472 28.532 -0.060 1
1 270 . 4 1 1 A 30 30 GLN C C 30 178.472 177.759 0.713 1
1 271 . 4 1 1 A 31 31 HIS N N 31 119.314 120.006 -0.692 1
1 272 . 4 1 1 A 31 31 HIS H H 31 7.556 7.952 -0.396 1
1 273 . 4 1 1 A 31 31 HIS CA C 31 58.950 59.798 -0.848 1
1 274 . 4 1 1 A 31 31 HIS HA H 31 4.200 4.071 0.129 1
1 275 . 4 1 1 A 31 31 HIS CB C 31 28.343 29.693 -1.350 1
1 282 . 4 1 1 A 31 31 HIS C C 31 176.128 176.507 -0.379 1
1 283 . 4 1 1 A 32 32 GLN N N 32 115.215 117.345 -2.130 1
1 284 . 4 1 1 A 32 32 GLN H H 32 8.232 8.114 0.118 1
1 285 . 4 1 1 A 32 32 GLN CA C 32 59.474 58.849 0.625 1
1 286 . 4 1 1 A 32 32 GLN HA H 32 3.602 3.722 -0.120 1
1 287 . 4 1 1 A 32 32 GLN CB C 32 28.296 28.242 0.054 1
1 296 . 4 1 1 A 32 32 GLN C C 32 177.517 178.280 -0.763 1
1 297 . 4 1 1 A 33 33 ARG N N 33 118.018 120.284 -2.266 1
1 298 . 4 1 1 A 33 33 ARG H H 33 7.107 8.040 -0.933 1
1 299 . 4 1 1 A 33 33 ARG CA C 33 58.590 59.012 -0.422 1
1 300 . 4 1 1 A 33 33 ARG HA H 33 4.093 3.922 0.171 1
1 301 . 4 1 1 A 33 33 ARG CB C 33 30.049 29.743 0.306 1
1 310 . 4 1 1 A 33 33 ARG C C 33 178.675 178.702 -0.027 1
1 311 . 4 1 1 A 34 34 VAL N N 34 116.143 117.039 -0.896 1
1 312 . 4 1 1 A 34 34 VAL H H 34 7.914 7.647 0.267 1
1 313 . 4 1 1 A 34 34 VAL CA C 34 64.036 65.119 -1.083 1
1 314 . 4 1 1 A 34 34 VAL HA H 34 3.908 3.710 0.198 1
1 315 . 4 1 1 A 34 34 VAL CB C 34 31.098 30.952 0.146 1
1 325 . 4 1 1 A 34 34 VAL C C 34 177.283 176.338 0.945 1
1 326 . 4 1 1 A 35 35 HIS N N 35 116.733 120.002 -3.269 1
1 327 . 4 1 1 A 35 35 HIS H H 35 7.116 7.415 -0.299 1
1 328 . 4 1 1 A 35 35 HIS CA C 35 54.703 54.288 0.415 1
1 329 . 4 1 1 A 35 35 HIS HA H 35 4.904 4.691 0.213 1
1 330 . 4 1 1 A 35 35 HIS CB C 35 28.407 27.646 0.761 1
1 337 . 4 1 1 A 35 35 HIS C C 35 175.439 175.283 0.156 1
1 338 . 4 1 1 A 36 36 SER N N 36 114.877 119.746 -4.869 1
1 339 . 4 1 1 A 36 36 SER H H 36 7.726 8.219 -0.493 1
1 340 . 4 1 1 A 36 36 SER CA C 36 59.166 60.929 -1.763 1
1 341 . 4 1 1 A 36 36 SER HA H 36 4.425 4.160 0.265 1
1 342 . 4 1 1 A 36 36 SER CB C 36 63.898 63.492 0.406 1
1 345 . 4 1 1 A 36 36 SER C C 36 175.093 174.770 0.323 1
1 346 . 4 1 1 A 37 37 GLY N N 37 110.867 107.911 2.956 1
1 347 . 4 1 1 A 37 37 GLY H H 37 8.365 8.181 0.184 1
1 348 . 4 1 1 A 37 37 GLY CA C 37 45.313 47.018 -1.705 1
1 349 . 4 1 1 A 37 37 GLY HA2 H 37 3.980 3.904 0.076 1
1 350 . 4 1 1 A 37 37 GLY HA3 H 37 3.980 3.908 0.072 1
1 351 . 4 1 1 A 37 37 GLY C C 37 174.083 175.373 -1.290 1
1 352 . 4 1 1 A 38 38 GLU N N 38 120.469 118.842 1.627 1
1 353 . 4 1 1 A 38 38 GLU H H 38 8.039 8.415 -0.376 1
1 354 . 4 1 1 A 38 38 GLU CA C 38 56.391 56.007 0.384 1
1 355 . 4 1 1 A 38 38 GLU HA H 38 4.249 4.587 -0.338 1
1 356 . 4 1 1 A 38 38 GLU CB C 38 30.526 30.107 0.419 1
1 362 . 4 1 1 A 38 38 GLU C C 38 176.248 175.007 1.241 1
1 363 . 4 1 1 A 39 39 LYS N N 39 123.743 117.511 6.232 1
1 364 . 4 1 1 A 39 39 LYS H H 39 8.418 7.495 0.923 1
1 365 . 4 1 1 A 39 39 LYS CA C 39 54.112 53.235 0.877 1
1 366 . 4 1 1 A 39 39 LYS HA H 39 4.600 4.761 -0.161 1
1 367 . 4 1 1 A 39 39 LYS CB C 39 32.515 35.748 -3.233 1
1 379 . 4 1 1 A 39 39 LYS C C 39 174.467 174.082 0.385 1
1 380 . 4 1 1 A 40 40 PRO CA C 40 63.226 62.576 0.650 1
1 381 . 4 1 1 A 40 40 PRO HA H 40 4.454 4.747 -0.293 1
1 382 . 4 1 1 A 40 40 PRO CB C 40 32.184 31.356 0.828 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.434 45.413 0.021 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.025 4.108 -0.083 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.025 4.108 -0.083 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.512 172.685 1.827 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.809 119.893 -7.084 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.155 8.665 -0.510 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.803 62.048 -0.245 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.362 4.522 -0.160 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.812 66.927 2.885 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.229 173.993 1.236 1
1 16 . 5 1 1 A 9 9 GLY N N 9 111.010 112.222 -1.212 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.454 7.839 0.615 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.274 45.757 -0.483 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 3.960 4.075 -0.115 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.901 4.077 -0.176 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.065 174.063 0.002 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.229 122.966 -2.737 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.235 8.745 -0.510 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.899 57.624 -0.725 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.175 4.409 -0.234 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.419 30.757 -0.338 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.478 177.004 -0.526 1
1 33 . 5 1 1 A 11 11 LYS N N 11 121.796 120.560 1.236 1
1 34 . 5 1 1 A 11 11 LYS H H 11 8.316 7.396 0.920 1
1 35 . 5 1 1 A 11 11 LYS CA C 11 53.820 55.311 -1.491 1
1 36 . 5 1 1 A 11 11 LYS HA H 11 4.478 4.372 0.106 1
1 37 . 5 1 1 A 11 11 LYS CB C 11 33.093 31.961 1.132 1
1 49 . 5 1 1 A 11 11 LYS C C 11 173.770 176.460 -2.690 1
1 50 . 5 1 1 A 12 12 PRO CA C 12 63.394 64.178 -0.784 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.276 4.290 -0.014 1
1 52 . 5 1 1 A 12 12 PRO CB C 12 32.241 31.335 0.906 1
1 61 . 5 1 1 A 12 12 PRO C C 12 176.311 175.573 0.738 1
1 62 . 5 1 1 A 13 13 TYR N N 13 118.293 118.283 0.010 1
1 63 . 5 1 1 A 13 13 TYR H H 13 7.943 7.462 0.481 1
1 64 . 5 1 1 A 13 13 TYR CA C 13 57.354 56.943 0.411 1
1 65 . 5 1 1 A 13 13 TYR HA H 13 4.622 5.410 -0.788 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.729 42.277 -3.548 1
1 77 . 5 1 1 A 13 13 TYR C C 13 174.554 174.413 0.141 1
1 78 . 5 1 1 A 14 14 GLU N N 14 123.940 123.566 0.374 1
1 79 . 5 1 1 A 14 14 GLU H H 14 8.632 8.798 -0.166 1
1 80 . 5 1 1 A 14 14 GLU CA C 14 54.907 55.751 -0.844 1
1 81 . 5 1 1 A 14 14 GLU HA H 14 4.961 5.154 -0.193 1
1 82 . 5 1 1 A 14 14 GLU CB C 14 33.273 34.207 -0.934 1
1 88 . 5 1 1 A 14 14 GLU C C 14 175.188 174.413 0.775 1
1 89 . 5 1 1 A 15 15 CYS N N 15 126.724 123.948 2.776 1
1 90 . 5 1 1 A 15 15 CYS H H 15 9.106 8.987 0.119 1
1 91 . 5 1 1 A 15 15 CYS CA C 15 59.792 58.858 0.934 1
1 92 . 5 1 1 A 15 15 CYS HA H 15 4.470 4.754 -0.284 1
1 93 . 5 1 1 A 15 15 CYS CB C 15 29.830 29.334 0.496 1
1 96 . 5 1 1 A 15 15 CYS C C 15 176.556 175.607 0.949 1
1 97 . 5 1 1 A 16 16 ASP N N 16 130.840 123.621 7.219 1
1 98 . 5 1 1 A 16 16 ASP H H 16 9.184 8.493 0.691 1
1 99 . 5 1 1 A 16 16 ASP CA C 16 56.098 54.650 1.448 1
1 100 . 5 1 1 A 16 16 ASP HA H 16 4.423 4.782 -0.359 1
1 101 . 5 1 1 A 16 16 ASP CB C 16 40.221 42.479 -2.258 1
1 104 . 5 1 1 A 16 16 ASP C C 16 175.891 178.074 -2.183 1
1 105 . 5 1 1 A 17 17 VAL N N 17 121.778 119.764 2.014 1
1 106 . 5 1 1 A 17 17 VAL H H 17 8.715 7.866 0.849 1
1 107 . 5 1 1 A 17 17 VAL CA C 17 65.079 65.242 -0.163 1
1 108 . 5 1 1 A 17 17 VAL HA H 17 3.802 3.693 0.109 1
1 109 . 5 1 1 A 17 17 VAL CB C 17 33.070 31.822 1.248 1
1 119 . 5 1 1 A 17 17 VAL C C 17 177.159 177.598 -0.439 1
1 120 . 5 1 1 A 18 18 CYS N N 18 116.273 115.767 0.506 1
1 121 . 5 1 1 A 18 18 CYS H H 18 8.033 7.894 0.139 1
1 122 . 5 1 1 A 18 18 CYS CA C 18 58.364 58.293 0.071 1
1 123 . 5 1 1 A 18 18 CYS HA H 18 5.063 4.446 0.617 1
1 124 . 5 1 1 A 18 18 CYS CB C 18 32.219 27.506 4.713 1
1 127 . 5 1 1 A 18 18 CYS C C 18 175.604 174.296 1.308 1
1 128 . 5 1 1 A 19 19 ARG N N 19 116.989 117.043 -0.054 1
1 129 . 5 1 1 A 19 19 ARG H H 19 8.006 7.958 0.048 1
1 130 . 5 1 1 A 19 19 ARG CA C 19 57.775 57.006 0.769 1
1 131 . 5 1 1 A 19 19 ARG HA H 19 4.185 4.286 -0.101 1
1 132 . 5 1 1 A 19 19 ARG CB C 19 26.272 27.472 -1.200 1
1 141 . 5 1 1 A 19 19 ARG C C 19 175.142 174.705 0.437 1
1 142 . 5 1 1 A 20 20 LYS N N 20 122.150 119.492 2.658 1
1 143 . 5 1 1 A 20 20 LYS H H 20 7.911 8.001 -0.090 1
1 144 . 5 1 1 A 20 20 LYS CA C 20 58.232 56.241 1.991 1
1 145 . 5 1 1 A 20 20 LYS HA H 20 4.015 4.284 -0.269 1
1 146 . 5 1 1 A 20 20 LYS CB C 20 33.817 33.283 0.534 1
1 158 . 5 1 1 A 20 20 LYS C C 20 174.015 175.816 -1.801 1
1 159 . 5 1 1 A 21 21 ALA N N 21 124.525 127.703 -3.178 1
1 160 . 5 1 1 A 21 21 ALA H H 21 7.843 8.388 -0.545 1
1 161 . 5 1 1 A 21 21 ALA CA C 21 50.504 51.842 -1.338 1
1 162 . 5 1 1 A 21 21 ALA HA H 21 5.133 4.500 0.633 1
1 163 . 5 1 1 A 21 21 ALA CB C 21 22.105 19.876 2.229 1
1 167 . 5 1 1 A 21 21 ALA C C 21 176.441 176.392 0.049 1
1 168 . 5 1 1 A 22 22 PHE N N 22 116.906 121.139 -4.233 1
1 169 . 5 1 1 A 22 22 PHE H H 22 8.731 8.386 0.345 1
1 170 . 5 1 1 A 22 22 PHE CA C 22 57.273 58.602 -1.329 1
1 171 . 5 1 1 A 22 22 PHE HA H 22 4.709 4.707 0.002 1
1 172 . 5 1 1 A 22 22 PHE CB C 22 43.819 41.123 2.696 1
1 185 . 5 1 1 A 22 22 PHE C C 22 175.611 175.649 -0.038 1
1 186 . 5 1 1 A 23 23 SER CA C 23 60.514 59.824 0.690 1
1 187 . 5 1 1 A 23 23 SER HA H 23 4.552 4.518 0.034 1
1 188 . 5 1 1 A 23 23 SER CB C 23 63.982 61.339 2.643 1
1 191 . 5 1 1 A 23 23 SER C C 23 173.478 173.188 0.290 1
1 192 . 5 1 1 A 24 24 HIS N N 24 116.869 118.997 -2.128 1
1 193 . 5 1 1 A 24 24 HIS H H 24 7.472 7.912 -0.440 1
1 194 . 5 1 1 A 24 24 HIS CA C 24 55.417 56.069 -0.652 1
1 195 . 5 1 1 A 24 24 HIS HA H 24 4.878 4.548 0.330 1
1 196 . 5 1 1 A 24 24 HIS CB C 24 33.557 31.933 1.624 1
1 203 . 5 1 1 A 24 24 HIS C C 24 175.289 174.806 0.483 1
1 204 . 5 1 1 A 25 25 HIS CA C 25 60.380 58.861 1.519 1
1 205 . 5 1 1 A 25 25 HIS HA H 25 3.237 3.604 -0.367 1
1 206 . 5 1 1 A 25 25 HIS CB C 25 30.379 28.849 1.530 1
1 213 . 5 1 1 A 26 26 ALA CA C 26 54.987 54.625 0.362 1
1 214 . 5 1 1 A 26 26 ALA HA H 26 4.047 3.589 0.458 1
1 215 . 5 1 1 A 26 26 ALA CB C 26 17.884 17.415 0.469 1
1 219 . 5 1 1 A 26 26 ALA C C 26 180.284 179.645 0.639 1
1 220 . 5 1 1 A 27 27 SER N N 27 112.465 114.476 -2.011 1
1 221 . 5 1 1 A 27 27 SER H H 27 7.065 7.982 -0.917 1
1 222 . 5 1 1 A 27 27 SER CA C 27 60.698 61.816 -1.118 1
1 223 . 5 1 1 A 27 27 SER HA H 27 4.166 4.071 0.095 1
1 224 . 5 1 1 A 27 27 SER CB C 27 62.410 63.278 -0.868 1
1 227 . 5 1 1 A 27 27 SER C C 27 176.636 176.054 0.582 1
1 228 . 5 1 1 A 28 28 LEU N N 28 124.235 121.939 2.296 1
1 229 . 5 1 1 A 28 28 LEU H H 28 7.071 7.666 -0.595 1
1 230 . 5 1 1 A 28 28 LEU CA C 28 58.002 57.187 0.815 1
1 231 . 5 1 1 A 28 28 LEU HA H 28 3.173 3.274 -0.101 1
1 232 . 5 1 1 A 28 28 LEU CB C 28 40.109 41.955 -1.846 1
1 245 . 5 1 1 A 28 28 LEU C C 28 177.670 177.814 -0.144 1
1 246 . 5 1 1 A 29 29 THR N N 29 114.830 114.069 0.761 1
1 247 . 5 1 1 A 29 29 THR H H 29 8.211 8.398 -0.187 1
1 248 . 5 1 1 A 29 29 THR CA C 29 66.228 65.389 0.839 1
1 249 . 5 1 1 A 29 29 THR HA H 29 3.893 3.803 0.090 1
1 250 . 5 1 1 A 29 29 THR CB C 29 68.192 68.873 -0.681 1
1 256 . 5 1 1 A 29 29 THR C C 29 177.331 176.500 0.831 1
1 257 . 5 1 1 A 30 30 GLN N N 30 120.065 120.824 -0.759 1
1 258 . 5 1 1 A 30 30 GLN H H 30 7.587 7.155 0.432 1
1 259 . 5 1 1 A 30 30 GLN CA C 30 58.742 58.464 0.278 1
1 260 . 5 1 1 A 30 30 GLN HA H 30 3.938 4.003 -0.065 1
1 261 . 5 1 1 A 30 30 GLN CB C 30 28.472 28.826 -0.354 1
1 270 . 5 1 1 A 30 30 GLN C C 30 178.472 178.303 0.169 1
1 271 . 5 1 1 A 31 31 HIS N N 31 119.314 119.281 0.033 1
1 272 . 5 1 1 A 31 31 HIS H H 31 7.556 7.686 -0.130 1
1 273 . 5 1 1 A 31 31 HIS CA C 31 58.950 59.737 -0.787 1
1 274 . 5 1 1 A 31 31 HIS HA H 31 4.200 4.111 0.089 1
1 275 . 5 1 1 A 31 31 HIS CB C 31 28.343 29.574 -1.231 1
1 282 . 5 1 1 A 31 31 HIS C C 31 176.128 176.467 -0.339 1
1 283 . 5 1 1 A 32 32 GLN N N 32 115.215 117.166 -1.951 1
1 284 . 5 1 1 A 32 32 GLN H H 32 8.232 8.441 -0.209 1
1 285 . 5 1 1 A 32 32 GLN CA C 32 59.474 59.111 0.363 1
1 286 . 5 1 1 A 32 32 GLN HA H 32 3.602 3.854 -0.252 1
1 287 . 5 1 1 A 32 32 GLN CB C 32 28.296 28.243 0.053 1
1 296 . 5 1 1 A 32 32 GLN C C 32 177.517 178.512 -0.995 1
1 297 . 5 1 1 A 33 33 ARG N N 33 118.018 120.376 -2.358 1
1 298 . 5 1 1 A 33 33 ARG H H 33 7.107 8.121 -1.014 1
1 299 . 5 1 1 A 33 33 ARG CA C 33 58.590 59.075 -0.485 1
1 300 . 5 1 1 A 33 33 ARG HA H 33 4.093 3.956 0.137 1
1 301 . 5 1 1 A 33 33 ARG CB C 33 30.049 29.778 0.271 1
1 310 . 5 1 1 A 33 33 ARG C C 33 178.675 179.102 -0.427 1
1 311 . 5 1 1 A 34 34 VAL N N 34 116.143 116.457 -0.314 1
1 312 . 5 1 1 A 34 34 VAL H H 34 7.914 7.906 0.008 1
1 313 . 5 1 1 A 34 34 VAL CA C 34 64.036 64.396 -0.360 1
1 314 . 5 1 1 A 34 34 VAL HA H 34 3.908 3.732 0.176 1
1 315 . 5 1 1 A 34 34 VAL CB C 34 31.098 31.121 -0.023 1
1 325 . 5 1 1 A 34 34 VAL C C 34 177.283 176.095 1.188 1
1 326 . 5 1 1 A 35 35 HIS N N 35 116.733 120.692 -3.959 1
1 327 . 5 1 1 A 35 35 HIS H H 35 7.116 7.926 -0.810 1
1 328 . 5 1 1 A 35 35 HIS CA C 35 54.703 54.293 0.410 1
1 329 . 5 1 1 A 35 35 HIS HA H 35 4.904 4.709 0.195 1
1 330 . 5 1 1 A 35 35 HIS CB C 35 28.407 28.526 -0.119 1
1 337 . 5 1 1 A 35 35 HIS C C 35 175.439 174.260 1.179 1
1 338 . 5 1 1 A 36 36 SER N N 36 114.877 118.794 -3.917 1
1 339 . 5 1 1 A 36 36 SER H H 36 7.726 8.521 -0.795 1
1 340 . 5 1 1 A 36 36 SER CA C 36 59.166 60.400 -1.234 1
1 341 . 5 1 1 A 36 36 SER HA H 36 4.425 4.181 0.244 1
1 342 . 5 1 1 A 36 36 SER CB C 36 63.898 63.503 0.395 1
1 345 . 5 1 1 A 36 36 SER C C 36 175.093 174.871 0.222 1
1 346 . 5 1 1 A 37 37 GLY N N 37 110.867 112.315 -1.448 1
1 347 . 5 1 1 A 37 37 GLY H H 37 8.365 8.566 -0.201 1
1 348 . 5 1 1 A 37 37 GLY CA C 37 45.313 45.052 0.261 1
1 349 . 5 1 1 A 37 37 GLY HA2 H 37 3.980 4.263 -0.283 1
1 350 . 5 1 1 A 37 37 GLY HA3 H 37 3.980 4.266 -0.286 1
1 351 . 5 1 1 A 37 37 GLY C C 37 174.083 174.297 -0.214 1
1 352 . 5 1 1 A 38 38 GLU N N 38 120.469 123.576 -3.107 1
1 353 . 5 1 1 A 38 38 GLU H H 38 8.039 9.121 -1.082 1
1 354 . 5 1 1 A 38 38 GLU CA C 38 56.391 57.407 -1.016 1
1 355 . 5 1 1 A 38 38 GLU HA H 38 4.249 3.932 0.317 1
1 356 . 5 1 1 A 38 38 GLU CB C 38 30.526 28.499 2.027 1
1 362 . 5 1 1 A 38 38 GLU C C 38 176.248 175.031 1.217 1
1 363 . 5 1 1 A 39 39 LYS N N 39 123.743 114.832 8.911 1
1 364 . 5 1 1 A 39 39 LYS H H 39 8.418 7.555 0.863 1
1 365 . 5 1 1 A 39 39 LYS CA C 39 54.112 53.685 0.427 1
1 366 . 5 1 1 A 39 39 LYS HA H 39 4.600 4.971 -0.371 1
1 367 . 5 1 1 A 39 39 LYS CB C 39 32.515 35.032 -2.517 1
1 379 . 5 1 1 A 39 39 LYS C C 39 174.467 174.125 0.342 1
1 380 . 5 1 1 A 40 40 PRO CA C 40 63.226 62.793 0.433 1
1 381 . 5 1 1 A 40 40 PRO HA H 40 4.454 4.885 -0.431 1
1 382 . 5 1 1 A 40 40 PRO CB C 40 32.184 33.349 -1.165 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.434 45.269 0.165 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.025 3.979 0.046 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.025 3.981 0.044 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.512 174.592 -0.080 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.809 113.994 -1.185 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.155 7.883 0.272 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.803 61.308 0.495 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.362 4.392 -0.030 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.812 68.694 1.118 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.229 174.897 0.332 1
1 16 . 6 1 1 A 9 9 GLY N N 9 111.010 111.511 -0.501 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.454 8.771 -0.317 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.274 43.909 1.365 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 3.960 4.143 -0.183 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.901 4.147 -0.246 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.065 173.369 0.696 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.229 120.243 -0.014 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.235 8.507 -0.272 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.899 57.002 -0.103 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.175 4.363 -0.188 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.419 30.280 0.139 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.478 176.030 0.448 1
1 33 . 6 1 1 A 11 11 LYS N N 11 121.796 125.592 -3.796 1
1 34 . 6 1 1 A 11 11 LYS H H 11 8.316 8.189 0.127 1
1 35 . 6 1 1 A 11 11 LYS CA C 11 53.820 53.732 0.088 1
1 36 . 6 1 1 A 11 11 LYS HA H 11 4.478 5.064 -0.586 1
1 37 . 6 1 1 A 11 11 LYS CB C 11 33.093 33.093 0.000 1
1 49 . 6 1 1 A 11 11 LYS C C 11 173.770 175.029 -1.259 1
1 50 . 6 1 1 A 12 12 PRO CA C 12 63.394 64.229 -0.835 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.276 4.407 -0.131 1
1 52 . 6 1 1 A 12 12 PRO CB C 12 32.241 31.606 0.635 1
1 61 . 6 1 1 A 12 12 PRO C C 12 176.311 175.604 0.707 1
1 62 . 6 1 1 A 13 13 TYR N N 13 118.293 118.648 -0.355 1
1 63 . 6 1 1 A 13 13 TYR H H 13 7.943 7.610 0.333 1
1 64 . 6 1 1 A 13 13 TYR CA C 13 57.354 56.891 0.463 1
1 65 . 6 1 1 A 13 13 TYR HA H 13 4.622 5.368 -0.746 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.729 41.671 -2.942 1
1 77 . 6 1 1 A 13 13 TYR C C 13 174.554 174.691 -0.137 1
1 78 . 6 1 1 A 14 14 GLU N N 14 123.940 121.633 2.307 1
1 79 . 6 1 1 A 14 14 GLU H H 14 8.632 8.910 -0.278 1
1 80 . 6 1 1 A 14 14 GLU CA C 14 54.907 56.272 -1.365 1
1 81 . 6 1 1 A 14 14 GLU HA H 14 4.961 5.245 -0.284 1
1 82 . 6 1 1 A 14 14 GLU CB C 14 33.273 34.240 -0.967 1
1 88 . 6 1 1 A 14 14 GLU C C 14 175.188 174.515 0.673 1
1 89 . 6 1 1 A 15 15 CYS N N 15 126.724 123.965 2.759 1
1 90 . 6 1 1 A 15 15 CYS H H 15 9.106 8.963 0.143 1
1 91 . 6 1 1 A 15 15 CYS CA C 15 59.792 58.803 0.989 1
1 92 . 6 1 1 A 15 15 CYS HA H 15 4.470 4.726 -0.256 1
1 93 . 6 1 1 A 15 15 CYS CB C 15 29.830 29.444 0.386 1
1 96 . 6 1 1 A 15 15 CYS C C 15 176.556 174.269 2.287 1
1 97 . 6 1 1 A 16 16 ASP N N 16 130.840 123.720 7.120 1
1 98 . 6 1 1 A 16 16 ASP H H 16 9.184 8.816 0.368 1
1 99 . 6 1 1 A 16 16 ASP CA C 16 56.098 55.418 0.680 1
1 100 . 6 1 1 A 16 16 ASP HA H 16 4.423 4.928 -0.505 1
1 101 . 6 1 1 A 16 16 ASP CB C 16 40.221 42.699 -2.478 1
1 104 . 6 1 1 A 16 16 ASP C C 16 175.891 177.553 -1.662 1
1 105 . 6 1 1 A 17 17 VAL N N 17 121.778 120.010 1.768 1
1 106 . 6 1 1 A 17 17 VAL H H 17 8.715 7.814 0.901 1
1 107 . 6 1 1 A 17 17 VAL CA C 17 65.079 66.105 -1.026 1
1 108 . 6 1 1 A 17 17 VAL HA H 17 3.802 3.436 0.366 1
1 109 . 6 1 1 A 17 17 VAL CB C 17 33.070 31.195 1.875 1
1 119 . 6 1 1 A 17 17 VAL C C 17 177.159 176.979 0.180 1
1 120 . 6 1 1 A 18 18 CYS N N 18 116.273 115.201 1.072 1
1 121 . 6 1 1 A 18 18 CYS H H 18 8.033 7.726 0.307 1
1 122 . 6 1 1 A 18 18 CYS CA C 18 58.364 59.014 -0.650 1
1 123 . 6 1 1 A 18 18 CYS HA H 18 5.063 4.460 0.603 1
1 124 . 6 1 1 A 18 18 CYS CB C 18 32.219 29.567 2.652 1
1 127 . 6 1 1 A 18 18 CYS C C 18 175.604 174.803 0.801 1
1 128 . 6 1 1 A 19 19 ARG N N 19 116.989 116.752 0.237 1
1 129 . 6 1 1 A 19 19 ARG H H 19 8.006 7.869 0.137 1
1 130 . 6 1 1 A 19 19 ARG CA C 19 57.775 57.082 0.693 1
1 131 . 6 1 1 A 19 19 ARG HA H 19 4.185 4.238 -0.053 1
1 132 . 6 1 1 A 19 19 ARG CB C 19 26.272 27.188 -0.916 1
1 141 . 6 1 1 A 19 19 ARG C C 19 175.142 174.398 0.744 1
1 142 . 6 1 1 A 20 20 LYS N N 20 122.150 118.684 3.466 1
1 143 . 6 1 1 A 20 20 LYS H H 20 7.911 7.915 -0.004 1
1 144 . 6 1 1 A 20 20 LYS CA C 20 58.232 55.617 2.615 1
1 145 . 6 1 1 A 20 20 LYS HA H 20 4.015 4.608 -0.593 1
1 146 . 6 1 1 A 20 20 LYS CB C 20 33.817 33.693 0.124 1
1 158 . 6 1 1 A 20 20 LYS C C 20 174.015 175.508 -1.493 1
1 159 . 6 1 1 A 21 21 ALA N N 21 124.525 126.535 -2.010 1
1 160 . 6 1 1 A 21 21 ALA H H 21 7.843 8.397 -0.554 1
1 161 . 6 1 1 A 21 21 ALA CA C 21 50.504 50.655 -0.151 1
1 162 . 6 1 1 A 21 21 ALA HA H 21 5.133 5.209 -0.076 1
1 163 . 6 1 1 A 21 21 ALA CB C 21 22.105 21.355 0.750 1
1 167 . 6 1 1 A 21 21 ALA C C 21 176.441 176.355 0.086 1
1 168 . 6 1 1 A 22 22 PHE N N 22 116.906 118.096 -1.190 1
1 169 . 6 1 1 A 22 22 PHE H H 22 8.731 8.664 0.067 1
1 170 . 6 1 1 A 22 22 PHE CA C 22 57.273 56.889 0.384 1
1 171 . 6 1 1 A 22 22 PHE HA H 22 4.709 4.939 -0.230 1
1 172 . 6 1 1 A 22 22 PHE CB C 22 43.819 43.311 0.508 1
1 185 . 6 1 1 A 22 22 PHE C C 22 175.611 175.640 -0.029 1
1 186 . 6 1 1 A 23 23 SER CA C 23 60.514 61.580 -1.066 1
1 187 . 6 1 1 A 23 23 SER HA H 23 4.552 4.549 0.003 1
1 188 . 6 1 1 A 23 23 SER CB C 23 63.982 63.742 0.240 1
1 191 . 6 1 1 A 23 23 SER C C 23 173.478 174.393 -0.915 1
1 192 . 6 1 1 A 24 24 HIS N N 24 116.869 118.886 -2.017 1
1 193 . 6 1 1 A 24 24 HIS H H 24 7.472 8.043 -0.571 1
1 194 . 6 1 1 A 24 24 HIS CA C 24 55.417 54.809 0.608 1
1 195 . 6 1 1 A 24 24 HIS HA H 24 4.878 4.678 0.200 1
1 196 . 6 1 1 A 24 24 HIS CB C 24 33.557 31.650 1.907 1
1 203 . 6 1 1 A 24 24 HIS C C 24 175.289 175.099 0.190 1
1 204 . 6 1 1 A 25 25 HIS CA C 25 60.380 60.171 0.209 1
1 205 . 6 1 1 A 25 25 HIS HA H 25 3.237 3.339 -0.102 1
1 206 . 6 1 1 A 25 25 HIS CB C 25 30.379 29.953 0.426 1
1 213 . 6 1 1 A 26 26 ALA CA C 26 54.987 55.480 -0.493 1
1 214 . 6 1 1 A 26 26 ALA HA H 26 4.047 3.902 0.145 1
1 215 . 6 1 1 A 26 26 ALA CB C 26 17.884 18.595 -0.711 1
1 219 . 6 1 1 A 26 26 ALA C C 26 180.284 179.450 0.834 1
1 220 . 6 1 1 A 27 27 SER N N 27 112.465 112.987 -0.522 1
1 221 . 6 1 1 A 27 27 SER H H 27 7.065 8.357 -1.292 1
1 222 . 6 1 1 A 27 27 SER CA C 27 60.698 61.345 -0.647 1
1 223 . 6 1 1 A 27 27 SER HA H 27 4.166 4.103 0.063 1
1 224 . 6 1 1 A 27 27 SER CB C 27 62.410 63.076 -0.666 1
1 227 . 6 1 1 A 27 27 SER C C 27 176.636 176.731 -0.095 1
1 228 . 6 1 1 A 28 28 LEU N N 28 124.235 121.963 2.272 1
1 229 . 6 1 1 A 28 28 LEU H H 28 7.071 7.748 -0.677 1
1 230 . 6 1 1 A 28 28 LEU CA C 28 58.002 57.159 0.843 1
1 231 . 6 1 1 A 28 28 LEU HA H 28 3.173 3.114 0.059 1
1 232 . 6 1 1 A 28 28 LEU CB C 28 40.109 41.106 -0.997 1
1 245 . 6 1 1 A 28 28 LEU C C 28 177.670 178.339 -0.669 1
1 246 . 6 1 1 A 29 29 THR N N 29 114.830 114.474 0.356 1
1 247 . 6 1 1 A 29 29 THR H H 29 8.211 8.176 0.035 1
1 248 . 6 1 1 A 29 29 THR CA C 29 66.228 66.202 0.026 1
1 249 . 6 1 1 A 29 29 THR HA H 29 3.893 3.686 0.207 1
1 250 . 6 1 1 A 29 29 THR CB C 29 68.192 68.318 -0.126 1
1 256 . 6 1 1 A 29 29 THR C C 29 177.331 176.195 1.136 1
1 257 . 6 1 1 A 30 30 GLN N N 30 120.065 120.980 -0.915 1
1 258 . 6 1 1 A 30 30 GLN H H 30 7.587 8.513 -0.926 1
1 259 . 6 1 1 A 30 30 GLN CA C 30 58.742 58.606 0.136 1
1 260 . 6 1 1 A 30 30 GLN HA H 30 3.938 3.914 0.024 1
1 261 . 6 1 1 A 30 30 GLN CB C 30 28.472 28.419 0.053 1
1 270 . 6 1 1 A 30 30 GLN C C 30 178.472 177.745 0.727 1
1 271 . 6 1 1 A 31 31 HIS N N 31 119.314 120.197 -0.883 1
1 272 . 6 1 1 A 31 31 HIS H H 31 7.556 7.788 -0.232 1
1 273 . 6 1 1 A 31 31 HIS CA C 31 58.950 59.749 -0.799 1
1 274 . 6 1 1 A 31 31 HIS HA H 31 4.200 4.149 0.051 1
1 275 . 6 1 1 A 31 31 HIS CB C 31 28.343 29.547 -1.204 1
1 282 . 6 1 1 A 31 31 HIS C C 31 176.128 176.485 -0.357 1
1 283 . 6 1 1 A 32 32 GLN N N 32 115.215 117.197 -1.982 1
1 284 . 6 1 1 A 32 32 GLN H H 32 8.232 8.423 -0.191 1
1 285 . 6 1 1 A 32 32 GLN CA C 32 59.474 59.174 0.300 1
1 286 . 6 1 1 A 32 32 GLN HA H 32 3.602 3.907 -0.305 1
1 287 . 6 1 1 A 32 32 GLN CB C 32 28.296 28.259 0.037 1
1 296 . 6 1 1 A 32 32 GLN C C 32 177.517 178.509 -0.992 1
1 297 . 6 1 1 A 33 33 ARG N N 33 118.018 120.474 -2.456 1
1 298 . 6 1 1 A 33 33 ARG H H 33 7.107 7.993 -0.886 1
1 299 . 6 1 1 A 33 33 ARG CA C 33 58.590 59.206 -0.616 1
1 300 . 6 1 1 A 33 33 ARG HA H 33 4.093 3.913 0.180 1
1 301 . 6 1 1 A 33 33 ARG CB C 33 30.049 29.854 0.195 1
1 310 . 6 1 1 A 33 33 ARG C C 33 178.675 178.713 -0.038 1
1 311 . 6 1 1 A 34 34 VAL N N 34 116.143 116.844 -0.701 1
1 312 . 6 1 1 A 34 34 VAL H H 34 7.914 7.867 0.047 1
1 313 . 6 1 1 A 34 34 VAL CA C 34 64.036 64.931 -0.895 1
1 314 . 6 1 1 A 34 34 VAL HA H 34 3.908 3.679 0.229 1
1 315 . 6 1 1 A 34 34 VAL CB C 34 31.098 31.017 0.081 1
1 325 . 6 1 1 A 34 34 VAL C C 34 177.283 175.926 1.357 1
1 326 . 6 1 1 A 35 35 HIS N N 35 116.733 120.458 -3.725 1
1 327 . 6 1 1 A 35 35 HIS H H 35 7.116 7.796 -0.680 1
1 328 . 6 1 1 A 35 35 HIS CA C 35 54.703 54.933 -0.230 1
1 329 . 6 1 1 A 35 35 HIS HA H 35 4.904 5.020 -0.116 1
1 330 . 6 1 1 A 35 35 HIS CB C 35 28.407 32.051 -3.644 1
1 337 . 6 1 1 A 35 35 HIS C C 35 175.439 173.912 1.527 1
1 338 . 6 1 1 A 36 36 SER N N 36 114.877 117.206 -2.329 1
1 339 . 6 1 1 A 36 36 SER H H 36 7.726 8.574 -0.848 1
1 340 . 6 1 1 A 36 36 SER CA C 36 59.166 56.719 2.447 1
1 341 . 6 1 1 A 36 36 SER HA H 36 4.425 4.978 -0.553 1
1 342 . 6 1 1 A 36 36 SER CB C 36 63.898 64.429 -0.531 1
1 345 . 6 1 1 A 36 36 SER C C 36 175.093 174.365 0.728 1
1 346 . 6 1 1 A 37 37 GLY N N 37 110.867 112.964 -2.097 1
1 347 . 6 1 1 A 37 37 GLY H H 37 8.365 8.593 -0.228 1
1 348 . 6 1 1 A 37 37 GLY CA C 37 45.313 47.231 -1.918 1
1 349 . 6 1 1 A 37 37 GLY HA2 H 37 3.980 3.899 0.081 1
1 350 . 6 1 1 A 37 37 GLY HA3 H 37 3.980 3.901 0.079 1
1 351 . 6 1 1 A 37 37 GLY C C 37 174.083 174.445 -0.362 1
1 352 . 6 1 1 A 38 38 GLU N N 38 120.469 120.638 -0.169 1
1 353 . 6 1 1 A 38 38 GLU H H 38 8.039 7.867 0.172 1
1 354 . 6 1 1 A 38 38 GLU CA C 38 56.391 55.480 0.911 1
1 355 . 6 1 1 A 38 38 GLU HA H 38 4.249 4.560 -0.311 1
1 356 . 6 1 1 A 38 38 GLU CB C 38 30.526 30.767 -0.241 1
1 362 . 6 1 1 A 38 38 GLU C C 38 176.248 176.411 -0.163 1
1 363 . 6 1 1 A 39 39 LYS N N 39 123.743 124.406 -0.663 1
1 364 . 6 1 1 A 39 39 LYS H H 39 8.418 8.786 -0.368 1
1 365 . 6 1 1 A 39 39 LYS CA C 39 54.112 53.666 0.446 1
1 366 . 6 1 1 A 39 39 LYS HA H 39 4.600 4.834 -0.234 1
1 367 . 6 1 1 A 39 39 LYS CB C 39 32.515 33.886 -1.371 1
1 379 . 6 1 1 A 39 39 LYS C C 39 174.467 174.518 -0.051 1
1 380 . 6 1 1 A 40 40 PRO CA C 40 63.226 62.690 0.536 1
1 381 . 6 1 1 A 40 40 PRO HA H 40 4.454 4.702 -0.248 1
1 382 . 6 1 1 A 40 40 PRO CB C 40 32.184 31.814 0.370 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.434 46.225 -0.791 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.025 3.938 0.087 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.025 3.938 0.087 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.512 173.550 0.962 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.809 108.751 4.058 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.155 7.324 0.831 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.803 59.939 1.864 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.362 5.070 -0.708 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.812 71.829 -2.017 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.229 172.951 2.278 1
1 16 . 7 1 1 A 9 9 GLY N N 9 111.010 108.663 2.347 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.454 8.110 0.344 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.274 45.056 0.218 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 3.960 4.109 -0.149 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.901 4.115 -0.214 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.065 172.930 1.135 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.229 124.137 -3.908 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.235 8.459 -0.224 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.899 55.986 0.913 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.175 4.414 -0.239 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.419 30.487 -0.068 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.478 176.521 -0.043 1
1 33 . 7 1 1 A 11 11 LYS N N 11 121.796 118.577 3.219 1
1 34 . 7 1 1 A 11 11 LYS H H 11 8.316 8.937 -0.621 1
1 35 . 7 1 1 A 11 11 LYS CA C 11 53.820 56.963 -3.143 1
1 36 . 7 1 1 A 11 11 LYS HA H 11 4.478 3.909 0.569 1
1 37 . 7 1 1 A 11 11 LYS CB C 11 33.093 30.127 2.966 1
1 49 . 7 1 1 A 11 11 LYS C C 11 173.770 176.698 -2.928 1
1 50 . 7 1 1 A 12 12 PRO CA C 12 63.394 64.257 -0.863 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.276 4.374 -0.098 1
1 52 . 7 1 1 A 12 12 PRO CB C 12 32.241 31.264 0.977 1
1 61 . 7 1 1 A 12 12 PRO C C 12 176.311 175.602 0.709 1
1 62 . 7 1 1 A 13 13 TYR N N 13 118.293 119.534 -1.241 1
1 63 . 7 1 1 A 13 13 TYR H H 13 7.943 7.412 0.531 1
1 64 . 7 1 1 A 13 13 TYR CA C 13 57.354 57.027 0.327 1
1 65 . 7 1 1 A 13 13 TYR HA H 13 4.622 5.396 -0.774 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.729 41.713 -2.984 1
1 77 . 7 1 1 A 13 13 TYR C C 13 174.554 174.753 -0.199 1
1 78 . 7 1 1 A 14 14 GLU N N 14 123.940 123.594 0.346 1
1 79 . 7 1 1 A 14 14 GLU H H 14 8.632 8.888 -0.256 1
1 80 . 7 1 1 A 14 14 GLU CA C 14 54.907 56.076 -1.169 1
1 81 . 7 1 1 A 14 14 GLU HA H 14 4.961 5.155 -0.194 1
1 82 . 7 1 1 A 14 14 GLU CB C 14 33.273 34.051 -0.778 1
1 88 . 7 1 1 A 14 14 GLU C C 14 175.188 174.415 0.773 1
1 89 . 7 1 1 A 15 15 CYS N N 15 126.724 124.126 2.598 1
1 90 . 7 1 1 A 15 15 CYS H H 15 9.106 9.286 -0.180 1
1 91 . 7 1 1 A 15 15 CYS CA C 15 59.792 58.905 0.887 1
1 92 . 7 1 1 A 15 15 CYS HA H 15 4.470 4.750 -0.280 1
1 93 . 7 1 1 A 15 15 CYS CB C 15 29.830 29.225 0.605 1
1 96 . 7 1 1 A 15 15 CYS C C 15 176.556 174.022 2.534 1
1 97 . 7 1 1 A 16 16 ASP N N 16 130.840 124.173 6.667 1
1 98 . 7 1 1 A 16 16 ASP H H 16 9.184 8.984 0.200 1
1 99 . 7 1 1 A 16 16 ASP CA C 16 56.098 55.634 0.464 1
1 100 . 7 1 1 A 16 16 ASP HA H 16 4.423 4.797 -0.374 1
1 101 . 7 1 1 A 16 16 ASP CB C 16 40.221 43.016 -2.795 1
1 104 . 7 1 1 A 16 16 ASP C C 16 175.891 177.935 -2.044 1
1 105 . 7 1 1 A 17 17 VAL N N 17 121.778 119.058 2.720 1
1 106 . 7 1 1 A 17 17 VAL H H 17 8.715 7.833 0.882 1
1 107 . 7 1 1 A 17 17 VAL CA C 17 65.079 66.551 -1.472 1
1 108 . 7 1 1 A 17 17 VAL HA H 17 3.802 3.466 0.336 1
1 109 . 7 1 1 A 17 17 VAL CB C 17 33.070 31.298 1.772 1
1 119 . 7 1 1 A 17 17 VAL C C 17 177.159 177.109 0.050 1
1 120 . 7 1 1 A 18 18 CYS N N 18 116.273 115.890 0.383 1
1 121 . 7 1 1 A 18 18 CYS H H 18 8.033 7.770 0.263 1
1 122 . 7 1 1 A 18 18 CYS CA C 18 58.364 59.138 -0.774 1
1 123 . 7 1 1 A 18 18 CYS HA H 18 5.063 4.461 0.602 1
1 124 . 7 1 1 A 18 18 CYS CB C 18 32.219 28.913 3.306 1
1 127 . 7 1 1 A 18 18 CYS C C 18 175.604 174.645 0.959 1
1 128 . 7 1 1 A 19 19 ARG N N 19 116.989 116.819 0.170 1
1 129 . 7 1 1 A 19 19 ARG H H 19 8.006 7.902 0.104 1
1 130 . 7 1 1 A 19 19 ARG CA C 19 57.775 57.081 0.694 1
1 131 . 7 1 1 A 19 19 ARG HA H 19 4.185 4.065 0.120 1
1 132 . 7 1 1 A 19 19 ARG CB C 19 26.272 27.188 -0.916 1
1 141 . 7 1 1 A 19 19 ARG C C 19 175.142 174.466 0.676 1
1 142 . 7 1 1 A 20 20 LYS N N 20 122.150 118.863 3.287 1
1 143 . 7 1 1 A 20 20 LYS H H 20 7.911 7.936 -0.025 1
1 144 . 7 1 1 A 20 20 LYS CA C 20 58.232 55.810 2.422 1
1 145 . 7 1 1 A 20 20 LYS HA H 20 4.015 4.557 -0.542 1
1 146 . 7 1 1 A 20 20 LYS CB C 20 33.817 33.613 0.204 1
1 158 . 7 1 1 A 20 20 LYS C C 20 174.015 175.429 -1.414 1
1 159 . 7 1 1 A 21 21 ALA N N 21 124.525 127.130 -2.605 1
1 160 . 7 1 1 A 21 21 ALA H H 21 7.843 8.517 -0.674 1
1 161 . 7 1 1 A 21 21 ALA CA C 21 50.504 50.334 0.170 1
1 162 . 7 1 1 A 21 21 ALA HA H 21 5.133 5.295 -0.162 1
1 163 . 7 1 1 A 21 21 ALA CB C 21 22.105 21.588 0.517 1
1 167 . 7 1 1 A 21 21 ALA C C 21 176.441 176.287 0.154 1
1 168 . 7 1 1 A 22 22 PHE N N 22 116.906 118.185 -1.279 1
1 169 . 7 1 1 A 22 22 PHE H H 22 8.731 8.308 0.423 1
1 170 . 7 1 1 A 22 22 PHE CA C 22 57.273 57.012 0.261 1
1 171 . 7 1 1 A 22 22 PHE HA H 22 4.709 4.974 -0.265 1
1 172 . 7 1 1 A 22 22 PHE CB C 22 43.819 43.204 0.615 1
1 185 . 7 1 1 A 22 22 PHE C C 22 175.611 175.557 0.054 1
1 186 . 7 1 1 A 23 23 SER CA C 23 60.514 61.028 -0.514 1
1 187 . 7 1 1 A 23 23 SER HA H 23 4.552 4.586 -0.034 1
1 188 . 7 1 1 A 23 23 SER CB C 23 63.982 63.800 0.182 1
1 191 . 7 1 1 A 23 23 SER C C 23 173.478 173.835 -0.357 1
1 192 . 7 1 1 A 24 24 HIS N N 24 116.869 119.699 -2.830 1
1 193 . 7 1 1 A 24 24 HIS H H 24 7.472 7.823 -0.351 1
1 194 . 7 1 1 A 24 24 HIS CA C 24 55.417 54.715 0.702 1
1 195 . 7 1 1 A 24 24 HIS HA H 24 4.878 4.872 0.006 1
1 196 . 7 1 1 A 24 24 HIS CB C 24 33.557 30.699 2.858 1
1 203 . 7 1 1 A 24 24 HIS C C 24 175.289 176.383 -1.094 1
1 204 . 7 1 1 A 25 25 HIS CA C 25 60.380 58.660 1.720 1
1 205 . 7 1 1 A 25 25 HIS HA H 25 3.237 3.151 0.086 1
1 206 . 7 1 1 A 25 25 HIS CB C 25 30.379 28.422 1.957 1
1 213 . 7 1 1 A 26 26 ALA CA C 26 54.987 54.989 -0.002 1
1 214 . 7 1 1 A 26 26 ALA HA H 26 4.047 3.697 0.350 1
1 215 . 7 1 1 A 26 26 ALA CB C 26 17.884 18.337 -0.453 1
1 219 . 7 1 1 A 26 26 ALA C C 26 180.284 179.943 0.341 1
1 220 . 7 1 1 A 27 27 SER N N 27 112.465 113.818 -1.353 1
1 221 . 7 1 1 A 27 27 SER H H 27 7.065 7.955 -0.890 1
1 222 . 7 1 1 A 27 27 SER CA C 27 60.698 61.767 -1.069 1
1 223 . 7 1 1 A 27 27 SER HA H 27 4.166 4.152 0.014 1
1 224 . 7 1 1 A 27 27 SER CB C 27 62.410 63.097 -0.687 1
1 227 . 7 1 1 A 27 27 SER C C 27 176.636 175.903 0.733 1
1 228 . 7 1 1 A 28 28 LEU N N 28 124.235 121.761 2.474 1
1 229 . 7 1 1 A 28 28 LEU H H 28 7.071 7.677 -0.606 1
1 230 . 7 1 1 A 28 28 LEU CA C 28 58.002 57.149 0.853 1
1 231 . 7 1 1 A 28 28 LEU HA H 28 3.173 3.344 -0.171 1
1 232 . 7 1 1 A 28 28 LEU CB C 28 40.109 41.518 -1.409 1
1 245 . 7 1 1 A 28 28 LEU C C 28 177.670 177.986 -0.316 1
1 246 . 7 1 1 A 29 29 THR N N 29 114.830 113.889 0.941 1
1 247 . 7 1 1 A 29 29 THR H H 29 8.211 7.834 0.377 1
1 248 . 7 1 1 A 29 29 THR CA C 29 66.228 65.089 1.139 1
1 249 . 7 1 1 A 29 29 THR HA H 29 3.893 3.851 0.042 1
1 250 . 7 1 1 A 29 29 THR CB C 29 68.192 68.736 -0.544 1
1 256 . 7 1 1 A 29 29 THR C C 29 177.331 175.654 1.677 1
1 257 . 7 1 1 A 30 30 GLN N N 30 120.065 120.285 -0.220 1
1 258 . 7 1 1 A 30 30 GLN H H 30 7.587 7.884 -0.297 1
1 259 . 7 1 1 A 30 30 GLN CA C 30 58.742 57.992 0.750 1
1 260 . 7 1 1 A 30 30 GLN HA H 30 3.938 4.227 -0.289 1
1 261 . 7 1 1 A 30 30 GLN CB C 30 28.472 29.676 -1.204 1
1 270 . 7 1 1 A 30 30 GLN C C 30 178.472 178.282 0.190 1
1 271 . 7 1 1 A 31 31 HIS N N 31 119.314 119.405 -0.091 1
1 272 . 7 1 1 A 31 31 HIS H H 31 7.556 7.895 -0.339 1
1 273 . 7 1 1 A 31 31 HIS CA C 31 58.950 59.720 -0.770 1
1 274 . 7 1 1 A 31 31 HIS HA H 31 4.200 4.249 -0.049 1
1 275 . 7 1 1 A 31 31 HIS CB C 31 28.343 29.683 -1.340 1
1 282 . 7 1 1 A 31 31 HIS C C 31 176.128 176.538 -0.410 1
1 283 . 7 1 1 A 32 32 GLN N N 32 115.215 117.224 -2.009 1
1 284 . 7 1 1 A 32 32 GLN H H 32 8.232 8.581 -0.349 1
1 285 . 7 1 1 A 32 32 GLN CA C 32 59.474 59.113 0.361 1
1 286 . 7 1 1 A 32 32 GLN HA H 32 3.602 3.789 -0.187 1
1 287 . 7 1 1 A 32 32 GLN CB C 32 28.296 28.233 0.063 1
1 296 . 7 1 1 A 32 32 GLN C C 32 177.517 178.434 -0.917 1
1 297 . 7 1 1 A 33 33 ARG N N 33 118.018 120.550 -2.532 1
1 298 . 7 1 1 A 33 33 ARG H H 33 7.107 7.728 -0.621 1
1 299 . 7 1 1 A 33 33 ARG CA C 33 58.590 59.110 -0.520 1
1 300 . 7 1 1 A 33 33 ARG HA H 33 4.093 3.917 0.176 1
1 301 . 7 1 1 A 33 33 ARG CB C 33 30.049 29.936 0.113 1
1 310 . 7 1 1 A 33 33 ARG C C 33 178.675 178.379 0.296 1
1 311 . 7 1 1 A 34 34 VAL N N 34 116.143 116.652 -0.509 1
1 312 . 7 1 1 A 34 34 VAL H H 34 7.914 7.672 0.242 1
1 313 . 7 1 1 A 34 34 VAL CA C 34 64.036 64.921 -0.885 1
1 314 . 7 1 1 A 34 34 VAL HA H 34 3.908 3.746 0.162 1
1 315 . 7 1 1 A 34 34 VAL CB C 34 31.098 30.915 0.183 1
1 325 . 7 1 1 A 34 34 VAL C C 34 177.283 176.367 0.916 1
1 326 . 7 1 1 A 35 35 HIS N N 35 116.733 120.083 -3.350 1
1 327 . 7 1 1 A 35 35 HIS H H 35 7.116 7.602 -0.486 1
1 328 . 7 1 1 A 35 35 HIS CA C 35 54.703 54.631 0.072 1
1 329 . 7 1 1 A 35 35 HIS HA H 35 4.904 4.814 0.090 1
1 330 . 7 1 1 A 35 35 HIS CB C 35 28.407 27.841 0.566 1
1 337 . 7 1 1 A 35 35 HIS C C 35 175.439 173.566 1.873 1
1 338 . 7 1 1 A 36 36 SER N N 36 114.877 118.880 -4.003 1
1 339 . 7 1 1 A 36 36 SER H H 36 7.726 8.453 -0.727 1
1 340 . 7 1 1 A 36 36 SER CA C 36 59.166 56.261 2.905 1
1 341 . 7 1 1 A 36 36 SER HA H 36 4.425 5.013 -0.588 1
1 342 . 7 1 1 A 36 36 SER CB C 36 63.898 65.665 -1.767 1
1 345 . 7 1 1 A 36 36 SER C C 36 175.093 173.308 1.785 1
1 346 . 7 1 1 A 37 37 GLY N N 37 110.867 113.846 -2.979 1
1 347 . 7 1 1 A 37 37 GLY H H 37 8.365 8.819 -0.454 1
1 348 . 7 1 1 A 37 37 GLY CA C 37 45.313 45.603 -0.290 1
1 349 . 7 1 1 A 37 37 GLY HA2 H 37 3.980 3.999 -0.019 1
1 350 . 7 1 1 A 37 37 GLY HA3 H 37 3.980 4.002 -0.022 1
1 351 . 7 1 1 A 37 37 GLY C C 37 174.083 172.965 1.118 1
1 352 . 7 1 1 A 38 38 GLU N N 38 120.469 125.009 -4.540 1
1 353 . 7 1 1 A 38 38 GLU H H 38 8.039 8.881 -0.842 1
1 354 . 7 1 1 A 38 38 GLU CA C 38 56.391 55.272 1.119 1
1 355 . 7 1 1 A 38 38 GLU HA H 38 4.249 4.814 -0.565 1
1 356 . 7 1 1 A 38 38 GLU CB C 38 30.526 31.611 -1.085 1
1 362 . 7 1 1 A 38 38 GLU C C 38 176.248 175.466 0.782 1
1 363 . 7 1 1 A 39 39 LYS N N 39 123.743 123.851 -0.108 1
1 364 . 7 1 1 A 39 39 LYS H H 39 8.418 8.602 -0.184 1
1 365 . 7 1 1 A 39 39 LYS CA C 39 54.112 52.722 1.390 1
1 366 . 7 1 1 A 39 39 LYS HA H 39 4.600 4.932 -0.332 1
1 367 . 7 1 1 A 39 39 LYS CB C 39 32.515 33.486 -0.971 1
1 379 . 7 1 1 A 39 39 LYS C C 39 174.467 175.244 -0.777 1
1 380 . 7 1 1 A 40 40 PRO CA C 40 63.226 64.245 -1.019 1
1 381 . 7 1 1 A 40 40 PRO HA H 40 4.454 4.507 -0.053 1
1 382 . 7 1 1 A 40 40 PRO CB C 40 32.184 32.012 0.172 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.434 44.181 1.253 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.025 4.081 -0.056 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.025 4.081 -0.056 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.512 173.370 1.142 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.809 115.125 -2.316 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.155 8.588 -0.433 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.803 59.767 2.036 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.362 5.057 -0.695 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.812 71.780 -1.968 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.229 174.055 1.174 1
1 16 . 8 1 1 A 9 9 GLY N N 9 111.010 112.256 -1.246 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.454 8.399 0.055 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.274 45.465 -0.191 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 3.960 4.212 -0.252 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.901 4.213 -0.312 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.065 172.611 1.454 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.229 125.474 -5.245 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.235 8.959 -0.724 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.899 54.683 2.216 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.175 4.854 -0.679 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.419 33.174 -2.755 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.478 175.350 1.128 1
1 33 . 8 1 1 A 11 11 LYS N N 11 121.796 118.672 3.124 1
1 34 . 8 1 1 A 11 11 LYS H H 11 8.316 8.763 -0.447 1
1 35 . 8 1 1 A 11 11 LYS CA C 11 53.820 54.861 -1.041 1
1 36 . 8 1 1 A 11 11 LYS HA H 11 4.478 4.878 -0.400 1
1 37 . 8 1 1 A 11 11 LYS CB C 11 33.093 34.443 -1.350 1
1 49 . 8 1 1 A 11 11 LYS C C 11 173.770 176.294 -2.524 1
1 50 . 8 1 1 A 12 12 PRO CA C 12 63.394 64.191 -0.797 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.276 4.222 0.054 1
1 52 . 8 1 1 A 12 12 PRO CB C 12 32.241 31.706 0.535 1
1 61 . 8 1 1 A 12 12 PRO C C 12 176.311 175.591 0.720 1
1 62 . 8 1 1 A 13 13 TYR N N 13 118.293 118.093 0.200 1
1 63 . 8 1 1 A 13 13 TYR H H 13 7.943 7.473 0.470 1
1 64 . 8 1 1 A 13 13 TYR CA C 13 57.354 56.276 1.078 1
1 65 . 8 1 1 A 13 13 TYR HA H 13 4.622 5.373 -0.751 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.729 43.224 -4.495 1
1 77 . 8 1 1 A 13 13 TYR C C 13 174.554 174.173 0.381 1
1 78 . 8 1 1 A 14 14 GLU N N 14 123.940 121.661 2.279 1
1 79 . 8 1 1 A 14 14 GLU H H 14 8.632 8.790 -0.158 1
1 80 . 8 1 1 A 14 14 GLU CA C 14 54.907 56.276 -1.369 1
1 81 . 8 1 1 A 14 14 GLU HA H 14 4.961 5.131 -0.170 1
1 82 . 8 1 1 A 14 14 GLU CB C 14 33.273 34.208 -0.935 1
1 88 . 8 1 1 A 14 14 GLU C C 14 175.188 174.507 0.681 1
1 89 . 8 1 1 A 15 15 CYS N N 15 126.724 124.069 2.655 1
1 90 . 8 1 1 A 15 15 CYS H H 15 9.106 8.526 0.580 1
1 91 . 8 1 1 A 15 15 CYS CA C 15 59.792 58.588 1.204 1
1 92 . 8 1 1 A 15 15 CYS HA H 15 4.470 4.732 -0.262 1
1 93 . 8 1 1 A 15 15 CYS CB C 15 29.830 29.027 0.803 1
1 96 . 8 1 1 A 15 15 CYS C C 15 176.556 175.707 0.849 1
1 97 . 8 1 1 A 16 16 ASP N N 16 130.840 129.115 1.725 1
1 98 . 8 1 1 A 16 16 ASP H H 16 9.184 9.269 -0.085 1
1 99 . 8 1 1 A 16 16 ASP CA C 16 56.098 54.194 1.904 1
1 100 . 8 1 1 A 16 16 ASP HA H 16 4.423 4.833 -0.410 1
1 101 . 8 1 1 A 16 16 ASP CB C 16 40.221 40.902 -0.681 1
1 104 . 8 1 1 A 16 16 ASP C C 16 175.891 176.962 -1.071 1
1 105 . 8 1 1 A 17 17 VAL N N 17 121.778 117.882 3.896 1
1 106 . 8 1 1 A 17 17 VAL H H 17 8.715 7.807 0.908 1
1 107 . 8 1 1 A 17 17 VAL CA C 17 65.079 63.707 1.372 1
1 108 . 8 1 1 A 17 17 VAL HA H 17 3.802 4.088 -0.286 1
1 109 . 8 1 1 A 17 17 VAL CB C 17 33.070 33.474 -0.404 1
1 119 . 8 1 1 A 17 17 VAL C C 17 177.159 177.287 -0.128 1
1 120 . 8 1 1 A 18 18 CYS N N 18 116.273 116.143 0.130 1
1 121 . 8 1 1 A 18 18 CYS H H 18 8.033 7.956 0.077 1
1 122 . 8 1 1 A 18 18 CYS CA C 18 58.364 58.103 0.261 1
1 123 . 8 1 1 A 18 18 CYS HA H 18 5.063 4.553 0.510 1
1 124 . 8 1 1 A 18 18 CYS CB C 18 32.219 29.401 2.818 1
1 127 . 8 1 1 A 18 18 CYS C C 18 175.604 174.569 1.035 1
1 128 . 8 1 1 A 19 19 ARG N N 19 116.989 116.304 0.685 1
1 129 . 8 1 1 A 19 19 ARG H H 19 8.006 8.071 -0.065 1
1 130 . 8 1 1 A 19 19 ARG CA C 19 57.775 57.077 0.698 1
1 131 . 8 1 1 A 19 19 ARG HA H 19 4.185 4.253 -0.068 1
1 132 . 8 1 1 A 19 19 ARG CB C 19 26.272 27.192 -0.920 1
1 141 . 8 1 1 A 19 19 ARG C C 19 175.142 174.865 0.277 1
1 142 . 8 1 1 A 20 20 LYS N N 20 122.150 118.368 3.782 1
1 143 . 8 1 1 A 20 20 LYS H H 20 7.911 8.064 -0.153 1
1 144 . 8 1 1 A 20 20 LYS CA C 20 58.232 55.167 3.065 1
1 145 . 8 1 1 A 20 20 LYS HA H 20 4.015 4.563 -0.548 1
1 146 . 8 1 1 A 20 20 LYS CB C 20 33.817 34.147 -0.330 1
1 158 . 8 1 1 A 20 20 LYS C C 20 174.015 175.622 -1.607 1
1 159 . 8 1 1 A 21 21 ALA N N 21 124.525 121.018 3.507 1
1 160 . 8 1 1 A 21 21 ALA H H 21 7.843 8.191 -0.348 1
1 161 . 8 1 1 A 21 21 ALA CA C 21 50.504 50.224 0.280 1
1 162 . 8 1 1 A 21 21 ALA HA H 21 5.133 5.418 -0.285 1
1 163 . 8 1 1 A 21 21 ALA CB C 21 22.105 23.498 -1.393 1
1 167 . 8 1 1 A 21 21 ALA C C 21 176.441 175.380 1.061 1
1 168 . 8 1 1 A 22 22 PHE N N 22 116.906 117.625 -0.719 1
1 169 . 8 1 1 A 22 22 PHE H H 22 8.731 8.933 -0.202 1
1 170 . 8 1 1 A 22 22 PHE CA C 22 57.273 56.754 0.519 1
1 171 . 8 1 1 A 22 22 PHE HA H 22 4.709 5.069 -0.360 1
1 172 . 8 1 1 A 22 22 PHE CB C 22 43.819 44.117 -0.298 1
1 185 . 8 1 1 A 22 22 PHE C C 22 175.611 175.456 0.155 1
1 186 . 8 1 1 A 23 23 SER CA C 23 60.514 59.802 0.712 1
1 187 . 8 1 1 A 23 23 SER HA H 23 4.552 4.672 -0.120 1
1 188 . 8 1 1 A 23 23 SER CB C 23 63.982 64.861 -0.879 1
1 191 . 8 1 1 A 23 23 SER C C 23 173.478 173.778 -0.300 1
1 192 . 8 1 1 A 24 24 HIS N N 24 116.869 120.119 -3.250 1
1 193 . 8 1 1 A 24 24 HIS H H 24 7.472 7.782 -0.310 1
1 194 . 8 1 1 A 24 24 HIS CA C 24 55.417 54.714 0.703 1
1 195 . 8 1 1 A 24 24 HIS HA H 24 4.878 4.759 0.119 1
1 196 . 8 1 1 A 24 24 HIS CB C 24 33.557 30.250 3.307 1
1 203 . 8 1 1 A 24 24 HIS C C 24 175.289 175.270 0.019 1
1 204 . 8 1 1 A 25 25 HIS CA C 25 60.380 60.039 0.341 1
1 205 . 8 1 1 A 25 25 HIS HA H 25 3.237 3.091 0.146 1
1 206 . 8 1 1 A 25 25 HIS CB C 25 30.379 30.323 0.056 1
1 213 . 8 1 1 A 26 26 ALA CA C 26 54.987 54.993 -0.006 1
1 214 . 8 1 1 A 26 26 ALA HA H 26 4.047 3.664 0.383 1
1 215 . 8 1 1 A 26 26 ALA CB C 26 17.884 18.214 -0.330 1
1 219 . 8 1 1 A 26 26 ALA C C 26 180.284 179.862 0.422 1
1 220 . 8 1 1 A 27 27 SER N N 27 112.465 113.756 -1.291 1
1 221 . 8 1 1 A 27 27 SER H H 27 7.065 7.954 -0.889 1
1 222 . 8 1 1 A 27 27 SER CA C 27 60.698 61.783 -1.085 1
1 223 . 8 1 1 A 27 27 SER HA H 27 4.166 4.127 0.039 1
1 224 . 8 1 1 A 27 27 SER CB C 27 62.410 63.177 -0.767 1
1 227 . 8 1 1 A 27 27 SER C C 27 176.636 175.911 0.725 1
1 228 . 8 1 1 A 28 28 LEU N N 28 124.235 121.733 2.502 1
1 229 . 8 1 1 A 28 28 LEU H H 28 7.071 7.591 -0.520 1
1 230 . 8 1 1 A 28 28 LEU CA C 28 58.002 57.233 0.769 1
1 231 . 8 1 1 A 28 28 LEU HA H 28 3.173 3.219 -0.046 1
1 232 . 8 1 1 A 28 28 LEU CB C 28 40.109 41.418 -1.309 1
1 245 . 8 1 1 A 28 28 LEU C C 28 177.670 177.863 -0.193 1
1 246 . 8 1 1 A 29 29 THR N N 29 114.830 113.897 0.933 1
1 247 . 8 1 1 A 29 29 THR H H 29 8.211 7.460 0.751 1
1 248 . 8 1 1 A 29 29 THR CA C 29 66.228 65.012 1.216 1
1 249 . 8 1 1 A 29 29 THR HA H 29 3.893 3.833 0.060 1
1 250 . 8 1 1 A 29 29 THR CB C 29 68.192 68.580 -0.388 1
1 256 . 8 1 1 A 29 29 THR C C 29 177.331 175.733 1.598 1
1 257 . 8 1 1 A 30 30 GLN N N 30 120.065 120.072 -0.007 1
1 258 . 8 1 1 A 30 30 GLN H H 30 7.587 7.694 -0.107 1
1 259 . 8 1 1 A 30 30 GLN CA C 30 58.742 58.048 0.694 1
1 260 . 8 1 1 A 30 30 GLN HA H 30 3.938 4.187 -0.249 1
1 261 . 8 1 1 A 30 30 GLN CB C 30 28.472 29.267 -0.795 1
1 270 . 8 1 1 A 30 30 GLN C C 30 178.472 177.921 0.551 1
1 271 . 8 1 1 A 31 31 HIS N N 31 119.314 120.893 -1.579 1
1 272 . 8 1 1 A 31 31 HIS H H 31 7.556 7.743 -0.187 1
1 273 . 8 1 1 A 31 31 HIS CA C 31 58.950 59.719 -0.769 1
1 274 . 8 1 1 A 31 31 HIS HA H 31 4.200 4.192 0.008 1
1 275 . 8 1 1 A 31 31 HIS CB C 31 28.343 29.694 -1.351 1
1 282 . 8 1 1 A 31 31 HIS C C 31 176.128 176.776 -0.648 1
1 283 . 8 1 1 A 32 32 GLN N N 32 115.215 117.324 -2.109 1
1 284 . 8 1 1 A 32 32 GLN H H 32 8.232 8.240 -0.008 1
1 285 . 8 1 1 A 32 32 GLN CA C 32 59.474 59.227 0.247 1
1 286 . 8 1 1 A 32 32 GLN HA H 32 3.602 3.829 -0.227 1
1 287 . 8 1 1 A 32 32 GLN CB C 32 28.296 28.336 -0.040 1
1 296 . 8 1 1 A 32 32 GLN C C 32 177.517 178.622 -1.105 1
1 297 . 8 1 1 A 33 33 ARG N N 33 118.018 119.802 -1.784 1
1 298 . 8 1 1 A 33 33 ARG H H 33 7.107 8.016 -0.909 1
1 299 . 8 1 1 A 33 33 ARG CA C 33 58.590 59.031 -0.441 1
1 300 . 8 1 1 A 33 33 ARG HA H 33 4.093 3.876 0.217 1
1 301 . 8 1 1 A 33 33 ARG CB C 33 30.049 29.960 0.089 1
1 310 . 8 1 1 A 33 33 ARG C C 33 178.675 178.056 0.619 1
1 311 . 8 1 1 A 34 34 VAL N N 34 116.143 117.011 -0.868 1
1 312 . 8 1 1 A 34 34 VAL H H 34 7.914 7.698 0.216 1
1 313 . 8 1 1 A 34 34 VAL CA C 34 64.036 65.374 -1.338 1
1 314 . 8 1 1 A 34 34 VAL HA H 34 3.908 3.719 0.189 1
1 315 . 8 1 1 A 34 34 VAL CB C 34 31.098 31.015 0.083 1
1 325 . 8 1 1 A 34 34 VAL C C 34 177.283 176.233 1.050 1
1 326 . 8 1 1 A 35 35 HIS N N 35 116.733 120.695 -3.962 1
1 327 . 8 1 1 A 35 35 HIS H H 35 7.116 7.610 -0.494 1
1 328 . 8 1 1 A 35 35 HIS CA C 35 54.703 55.955 -1.252 1
1 329 . 8 1 1 A 35 35 HIS HA H 35 4.904 4.550 0.354 1
1 330 . 8 1 1 A 35 35 HIS CB C 35 28.407 29.839 -1.432 1
1 337 . 8 1 1 A 35 35 HIS C C 35 175.439 175.047 0.392 1
1 338 . 8 1 1 A 36 36 SER N N 36 114.877 119.942 -5.065 1
1 339 . 8 1 1 A 36 36 SER H H 36 7.726 9.084 -1.358 1
1 340 . 8 1 1 A 36 36 SER CA C 36 59.166 59.638 -0.472 1
1 341 . 8 1 1 A 36 36 SER HA H 36 4.425 4.496 -0.071 1
1 342 . 8 1 1 A 36 36 SER CB C 36 63.898 65.436 -1.538 1
1 345 . 8 1 1 A 36 36 SER C C 36 175.093 175.128 -0.035 1
1 346 . 8 1 1 A 37 37 GLY N N 37 110.867 107.647 3.220 1
1 347 . 8 1 1 A 37 37 GLY H H 37 8.365 7.726 0.639 1
1 348 . 8 1 1 A 37 37 GLY CA C 37 45.313 45.565 -0.252 1
1 349 . 8 1 1 A 37 37 GLY HA2 H 37 3.980 3.995 -0.015 1
1 350 . 8 1 1 A 37 37 GLY HA3 H 37 3.980 3.998 -0.018 1
1 351 . 8 1 1 A 37 37 GLY C C 37 174.083 175.195 -1.112 1
1 352 . 8 1 1 A 38 38 GLU N N 38 120.469 116.008 4.461 1
1 353 . 8 1 1 A 38 38 GLU H H 38 8.039 8.066 -0.027 1
1 354 . 8 1 1 A 38 38 GLU CA C 38 56.391 57.491 -1.100 1
1 355 . 8 1 1 A 38 38 GLU HA H 38 4.249 3.912 0.337 1
1 356 . 8 1 1 A 38 38 GLU CB C 38 30.526 27.312 3.214 1
1 362 . 8 1 1 A 38 38 GLU C C 38 176.248 175.553 0.695 1
1 363 . 8 1 1 A 39 39 LYS N N 39 123.743 120.642 3.101 1
1 364 . 8 1 1 A 39 39 LYS H H 39 8.418 7.786 0.632 1
1 365 . 8 1 1 A 39 39 LYS CA C 39 54.112 54.649 -0.537 1
1 366 . 8 1 1 A 39 39 LYS HA H 39 4.600 4.191 0.409 1
1 367 . 8 1 1 A 39 39 LYS CB C 39 32.515 33.541 -1.026 1
1 379 . 8 1 1 A 39 39 LYS C C 39 174.467 175.226 -0.759 1
1 380 . 8 1 1 A 40 40 PRO CA C 40 63.226 62.219 1.007 1
1 381 . 8 1 1 A 40 40 PRO HA H 40 4.454 4.688 -0.234 1
1 382 . 8 1 1 A 40 40 PRO CB C 40 32.184 29.442 2.742 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.434 44.447 0.987 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.025 4.066 -0.041 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.025 4.067 -0.042 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.512 173.392 1.120 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.809 110.214 2.595 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.155 8.093 0.062 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.803 60.126 1.677 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.362 5.091 -0.729 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.812 70.626 -0.814 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.229 174.397 0.832 1
1 16 . 9 1 1 A 9 9 GLY N N 9 111.010 111.366 -0.356 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.454 8.460 -0.006 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.274 45.246 0.028 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 3.960 4.119 -0.159 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.901 4.122 -0.221 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.065 175.716 -1.651 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.229 117.644 2.585 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.235 8.369 -0.134 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.899 57.817 -0.918 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.175 4.174 0.001 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.419 30.261 0.158 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.478 176.482 -0.004 1
1 33 . 9 1 1 A 11 11 LYS N N 11 121.796 118.157 3.639 1
1 34 . 9 1 1 A 11 11 LYS H H 11 8.316 7.735 0.581 1
1 35 . 9 1 1 A 11 11 LYS CA C 11 53.820 53.171 0.649 1
1 36 . 9 1 1 A 11 11 LYS HA H 11 4.478 4.800 -0.322 1
1 37 . 9 1 1 A 11 11 LYS CB C 11 33.093 35.915 -2.822 1
1 49 . 9 1 1 A 11 11 LYS C C 11 173.770 176.053 -2.283 1
1 50 . 9 1 1 A 12 12 PRO CA C 12 63.394 64.277 -0.883 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.276 4.247 0.029 1
1 52 . 9 1 1 A 12 12 PRO CB C 12 32.241 31.447 0.794 1
1 61 . 9 1 1 A 12 12 PRO C C 12 176.311 175.694 0.617 1
1 62 . 9 1 1 A 13 13 TYR N N 13 118.293 117.949 0.344 1
1 63 . 9 1 1 A 13 13 TYR H H 13 7.943 7.491 0.452 1
1 64 . 9 1 1 A 13 13 TYR CA C 13 57.354 56.866 0.488 1
1 65 . 9 1 1 A 13 13 TYR HA H 13 4.622 5.330 -0.708 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.729 40.661 -1.932 1
1 77 . 9 1 1 A 13 13 TYR C C 13 174.554 174.529 0.025 1
1 78 . 9 1 1 A 14 14 GLU N N 14 123.940 124.559 -0.619 1
1 79 . 9 1 1 A 14 14 GLU H H 14 8.632 8.977 -0.345 1
1 80 . 9 1 1 A 14 14 GLU CA C 14 54.907 55.680 -0.773 1
1 81 . 9 1 1 A 14 14 GLU HA H 14 4.961 5.099 -0.138 1
1 82 . 9 1 1 A 14 14 GLU CB C 14 33.273 34.187 -0.914 1
1 88 . 9 1 1 A 14 14 GLU C C 14 175.188 174.486 0.702 1
1 89 . 9 1 1 A 15 15 CYS N N 15 126.724 123.692 3.032 1
1 90 . 9 1 1 A 15 15 CYS H H 15 9.106 8.476 0.630 1
1 91 . 9 1 1 A 15 15 CYS CA C 15 59.792 58.273 1.519 1
1 92 . 9 1 1 A 15 15 CYS HA H 15 4.470 4.779 -0.309 1
1 93 . 9 1 1 A 15 15 CYS CB C 15 29.830 29.310 0.520 1
1 96 . 9 1 1 A 15 15 CYS C C 15 176.556 175.607 0.949 1
1 97 . 9 1 1 A 16 16 ASP N N 16 130.840 128.119 2.721 1
1 98 . 9 1 1 A 16 16 ASP H H 16 9.184 9.134 0.050 1
1 99 . 9 1 1 A 16 16 ASP CA C 16 56.098 53.820 2.278 1
1 100 . 9 1 1 A 16 16 ASP HA H 16 4.423 4.869 -0.446 1
1 101 . 9 1 1 A 16 16 ASP CB C 16 40.221 40.897 -0.676 1
1 104 . 9 1 1 A 16 16 ASP C C 16 175.891 177.132 -1.241 1
1 105 . 9 1 1 A 17 17 VAL N N 17 121.778 118.582 3.196 1
1 106 . 9 1 1 A 17 17 VAL H H 17 8.715 7.972 0.743 1
1 107 . 9 1 1 A 17 17 VAL CA C 17 65.079 63.525 1.554 1
1 108 . 9 1 1 A 17 17 VAL HA H 17 3.802 4.172 -0.370 1
1 109 . 9 1 1 A 17 17 VAL CB C 17 33.070 33.755 -0.685 1
1 119 . 9 1 1 A 17 17 VAL C C 17 177.159 177.320 -0.161 1
1 120 . 9 1 1 A 18 18 CYS N N 18 116.273 115.771 0.502 1
1 121 . 9 1 1 A 18 18 CYS H H 18 8.033 8.056 -0.023 1
1 122 . 9 1 1 A 18 18 CYS CA C 18 58.364 58.371 -0.007 1
1 123 . 9 1 1 A 18 18 CYS HA H 18 5.063 4.480 0.583 1
1 124 . 9 1 1 A 18 18 CYS CB C 18 32.219 28.994 3.225 1
1 127 . 9 1 1 A 18 18 CYS C C 18 175.604 174.496 1.108 1
1 128 . 9 1 1 A 19 19 ARG N N 19 116.989 116.734 0.255 1
1 129 . 9 1 1 A 19 19 ARG H H 19 8.006 7.718 0.288 1
1 130 . 9 1 1 A 19 19 ARG CA C 19 57.775 57.069 0.706 1
1 131 . 9 1 1 A 19 19 ARG HA H 19 4.185 4.227 -0.042 1
1 132 . 9 1 1 A 19 19 ARG CB C 19 26.272 27.068 -0.796 1
1 141 . 9 1 1 A 19 19 ARG C C 19 175.142 174.154 0.988 1
1 142 . 9 1 1 A 20 20 LYS N N 20 122.150 119.235 2.915 1
1 143 . 9 1 1 A 20 20 LYS H H 20 7.911 7.860 0.051 1
1 144 . 9 1 1 A 20 20 LYS CA C 20 58.232 55.327 2.905 1
1 145 . 9 1 1 A 20 20 LYS HA H 20 4.015 4.622 -0.607 1
1 146 . 9 1 1 A 20 20 LYS CB C 20 33.817 33.781 0.036 1
1 158 . 9 1 1 A 20 20 LYS C C 20 174.015 175.722 -1.707 1
1 159 . 9 1 1 A 21 21 ALA N N 21 124.525 129.222 -4.697 1
1 160 . 9 1 1 A 21 21 ALA H H 21 7.843 8.673 -0.830 1
1 161 . 9 1 1 A 21 21 ALA CA C 21 50.504 51.510 -1.006 1
1 162 . 9 1 1 A 21 21 ALA HA H 21 5.133 5.080 0.053 1
1 163 . 9 1 1 A 21 21 ALA CB C 21 22.105 20.679 1.426 1
1 167 . 9 1 1 A 21 21 ALA C C 21 176.441 176.591 -0.150 1
1 168 . 9 1 1 A 22 22 PHE N N 22 116.906 118.879 -1.973 1
1 169 . 9 1 1 A 22 22 PHE H H 22 8.731 8.438 0.293 1
1 170 . 9 1 1 A 22 22 PHE CA C 22 57.273 57.120 0.153 1
1 171 . 9 1 1 A 22 22 PHE HA H 22 4.709 4.850 -0.141 1
1 172 . 9 1 1 A 22 22 PHE CB C 22 43.819 42.768 1.051 1
1 185 . 9 1 1 A 22 22 PHE C C 22 175.611 175.754 -0.143 1
1 186 . 9 1 1 A 23 23 SER CA C 23 60.514 61.804 -1.290 1
1 187 . 9 1 1 A 23 23 SER HA H 23 4.552 4.538 0.014 1
1 188 . 9 1 1 A 23 23 SER CB C 23 63.982 63.382 0.600 1
1 191 . 9 1 1 A 23 23 SER C C 23 173.478 174.247 -0.769 1
1 192 . 9 1 1 A 24 24 HIS N N 24 116.869 119.078 -2.209 1
1 193 . 9 1 1 A 24 24 HIS H H 24 7.472 7.923 -0.451 1
1 194 . 9 1 1 A 24 24 HIS CA C 24 55.417 55.310 0.107 1
1 195 . 9 1 1 A 24 24 HIS HA H 24 4.878 4.680 0.198 1
1 196 . 9 1 1 A 24 24 HIS CB C 24 33.557 31.556 2.001 1
1 203 . 9 1 1 A 24 24 HIS C C 24 175.289 175.711 -0.422 1
1 204 . 9 1 1 A 25 25 HIS CA C 25 60.380 58.047 2.333 1
1 205 . 9 1 1 A 25 25 HIS HA H 25 3.237 2.945 0.292 1
1 206 . 9 1 1 A 25 25 HIS CB C 25 30.379 28.535 1.844 1
1 213 . 9 1 1 A 26 26 ALA CA C 26 54.987 54.663 0.324 1
1 214 . 9 1 1 A 26 26 ALA HA H 26 4.047 3.423 0.624 1
1 215 . 9 1 1 A 26 26 ALA CB C 26 17.884 18.065 -0.181 1
1 219 . 9 1 1 A 26 26 ALA C C 26 180.284 179.107 1.177 1
1 220 . 9 1 1 A 27 27 SER N N 27 112.465 112.630 -0.165 1
1 221 . 9 1 1 A 27 27 SER H H 27 7.065 8.045 -0.980 1
1 222 . 9 1 1 A 27 27 SER CA C 27 60.698 61.003 -0.305 1
1 223 . 9 1 1 A 27 27 SER HA H 27 4.166 4.025 0.141 1
1 224 . 9 1 1 A 27 27 SER CB C 27 62.410 62.890 -0.480 1
1 227 . 9 1 1 A 27 27 SER C C 27 176.636 176.382 0.254 1
1 228 . 9 1 1 A 28 28 LEU N N 28 124.235 122.073 2.162 1
1 229 . 9 1 1 A 28 28 LEU H H 28 7.071 7.661 -0.590 1
1 230 . 9 1 1 A 28 28 LEU CA C 28 58.002 57.322 0.680 1
1 231 . 9 1 1 A 28 28 LEU HA H 28 3.173 3.328 -0.155 1
1 232 . 9 1 1 A 28 28 LEU CB C 28 40.109 41.550 -1.441 1
1 245 . 9 1 1 A 28 28 LEU C C 28 177.670 178.010 -0.340 1
1 246 . 9 1 1 A 29 29 THR N N 29 114.830 113.914 0.916 1
1 247 . 9 1 1 A 29 29 THR H H 29 8.211 7.792 0.419 1
1 248 . 9 1 1 A 29 29 THR CA C 29 66.228 65.058 1.170 1
1 249 . 9 1 1 A 29 29 THR HA H 29 3.893 3.887 0.006 1
1 250 . 9 1 1 A 29 29 THR CB C 29 68.192 68.762 -0.570 1
1 256 . 9 1 1 A 29 29 THR C C 29 177.331 176.151 1.180 1
1 257 . 9 1 1 A 30 30 GLN N N 30 120.065 120.796 -0.731 1
1 258 . 9 1 1 A 30 30 GLN H H 30 7.587 7.577 0.010 1
1 259 . 9 1 1 A 30 30 GLN CA C 30 58.742 58.251 0.491 1
1 260 . 9 1 1 A 30 30 GLN HA H 30 3.938 4.127 -0.189 1
1 261 . 9 1 1 A 30 30 GLN CB C 30 28.472 29.062 -0.590 1
1 270 . 9 1 1 A 30 30 GLN C C 30 178.472 178.124 0.348 1
1 271 . 9 1 1 A 31 31 HIS N N 31 119.314 119.939 -0.625 1
1 272 . 9 1 1 A 31 31 HIS H H 31 7.556 7.895 -0.339 1
1 273 . 9 1 1 A 31 31 HIS CA C 31 58.950 59.696 -0.746 1
1 274 . 9 1 1 A 31 31 HIS HA H 31 4.200 4.190 0.010 1
1 275 . 9 1 1 A 31 31 HIS CB C 31 28.343 29.379 -1.036 1
1 282 . 9 1 1 A 31 31 HIS C C 31 176.128 176.551 -0.423 1
1 283 . 9 1 1 A 32 32 GLN N N 32 115.215 117.237 -2.022 1
1 284 . 9 1 1 A 32 32 GLN H H 32 8.232 8.293 -0.061 1
1 285 . 9 1 1 A 32 32 GLN CA C 32 59.474 59.245 0.229 1
1 286 . 9 1 1 A 32 32 GLN HA H 32 3.602 4.001 -0.399 1
1 287 . 9 1 1 A 32 32 GLN CB C 32 28.296 28.277 0.019 1
1 296 . 9 1 1 A 32 32 GLN C C 32 177.517 178.586 -1.069 1
1 297 . 9 1 1 A 33 33 ARG N N 33 118.018 120.256 -2.238 1
1 298 . 9 1 1 A 33 33 ARG H H 33 7.107 7.997 -0.890 1
1 299 . 9 1 1 A 33 33 ARG CA C 33 58.590 59.225 -0.635 1
1 300 . 9 1 1 A 33 33 ARG HA H 33 4.093 3.934 0.159 1
1 301 . 9 1 1 A 33 33 ARG CB C 33 30.049 29.955 0.094 1
1 310 . 9 1 1 A 33 33 ARG C C 33 178.675 178.401 0.274 1
1 311 . 9 1 1 A 34 34 VAL N N 34 116.143 117.055 -0.912 1
1 312 . 9 1 1 A 34 34 VAL H H 34 7.914 7.849 0.065 1
1 313 . 9 1 1 A 34 34 VAL CA C 34 64.036 65.037 -1.001 1
1 314 . 9 1 1 A 34 34 VAL HA H 34 3.908 3.707 0.201 1
1 315 . 9 1 1 A 34 34 VAL CB C 34 31.098 30.884 0.214 1
1 325 . 9 1 1 A 34 34 VAL C C 34 177.283 175.900 1.383 1
1 326 . 9 1 1 A 35 35 HIS N N 35 116.733 120.082 -3.349 1
1 327 . 9 1 1 A 35 35 HIS H H 35 7.116 7.942 -0.826 1
1 328 . 9 1 1 A 35 35 HIS CA C 35 54.703 55.082 -0.379 1
1 329 . 9 1 1 A 35 35 HIS HA H 35 4.904 4.974 -0.070 1
1 330 . 9 1 1 A 35 35 HIS CB C 35 28.407 32.106 -3.699 1
1 337 . 9 1 1 A 35 35 HIS C C 35 175.439 173.761 1.678 1
1 338 . 9 1 1 A 36 36 SER N N 36 114.877 115.557 -0.680 1
1 339 . 9 1 1 A 36 36 SER H H 36 7.726 9.053 -1.327 1
1 340 . 9 1 1 A 36 36 SER CA C 36 59.166 56.383 2.783 1
1 341 . 9 1 1 A 36 36 SER HA H 36 4.425 5.147 -0.722 1
1 342 . 9 1 1 A 36 36 SER CB C 36 63.898 64.888 -0.990 1
1 345 . 9 1 1 A 36 36 SER C C 36 175.093 173.814 1.279 1
1 346 . 9 1 1 A 37 37 GLY N N 37 110.867 114.223 -3.356 1
1 347 . 9 1 1 A 37 37 GLY H H 37 8.365 8.793 -0.428 1
1 348 . 9 1 1 A 37 37 GLY CA C 37 45.313 46.513 -1.200 1
1 349 . 9 1 1 A 37 37 GLY HA2 H 37 3.980 4.194 -0.214 1
1 350 . 9 1 1 A 37 37 GLY HA3 H 37 3.980 4.194 -0.214 1
1 351 . 9 1 1 A 37 37 GLY C C 37 174.083 173.769 0.314 1
1 352 . 9 1 1 A 38 38 GLU N N 38 120.469 116.236 4.233 1
1 353 . 9 1 1 A 38 38 GLU H H 38 8.039 8.237 -0.198 1
1 354 . 9 1 1 A 38 38 GLU CA C 38 56.391 57.496 -1.105 1
1 355 . 9 1 1 A 38 38 GLU HA H 38 4.249 3.815 0.434 1
1 356 . 9 1 1 A 38 38 GLU CB C 38 30.526 27.215 3.311 1
1 362 . 9 1 1 A 38 38 GLU C C 38 176.248 174.436 1.812 1
1 363 . 9 1 1 A 39 39 LYS N N 39 123.743 119.471 4.272 1
1 364 . 9 1 1 A 39 39 LYS H H 39 8.418 7.726 0.692 1
1 365 . 9 1 1 A 39 39 LYS CA C 39 54.112 53.020 1.092 1
1 366 . 9 1 1 A 39 39 LYS HA H 39 4.600 4.751 -0.151 1
1 367 . 9 1 1 A 39 39 LYS CB C 39 32.515 34.682 -2.167 1
1 379 . 9 1 1 A 39 39 LYS C C 39 174.467 175.932 -1.465 1
1 380 . 9 1 1 A 40 40 PRO CA C 40 63.226 65.249 -2.023 1
1 381 . 9 1 1 A 40 40 PRO HA H 40 4.454 4.296 0.158 1
1 382 . 9 1 1 A 40 40 PRO CB C 40 32.184 31.988 0.196 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.434 45.708 -0.274 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.025 3.950 0.075 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.025 3.950 0.075 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.512 175.220 -0.708 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.809 116.946 -4.137 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.155 8.843 -0.688 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.803 65.953 -4.150 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.362 3.939 0.423 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.812 69.042 0.770 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.229 174.946 0.283 1
1 16 . 10 1 1 A 9 9 GLY N N 9 111.010 105.163 5.847 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.454 7.404 1.050 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.274 45.999 -0.725 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 3.960 4.078 -0.118 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.901 4.079 -0.178 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.065 171.416 2.649 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.229 121.354 -1.125 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.235 8.478 -0.243 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.899 54.520 2.379 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.175 5.258 -1.083 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.419 34.352 -3.933 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.478 175.445 1.033 1
1 33 . 10 1 1 A 11 11 LYS N N 11 121.796 121.963 -0.167 1
1 34 . 10 1 1 A 11 11 LYS H H 11 8.316 8.530 -0.214 1
1 35 . 10 1 1 A 11 11 LYS CA C 11 53.820 54.214 -0.394 1
1 36 . 10 1 1 A 11 11 LYS HA H 11 4.478 4.792 -0.314 1
1 37 . 10 1 1 A 11 11 LYS CB C 11 33.093 33.231 -0.138 1
1 49 . 10 1 1 A 11 11 LYS C C 11 173.770 176.620 -2.850 1
1 50 . 10 1 1 A 12 12 PRO CA C 12 63.394 64.463 -1.069 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.276 4.272 0.004 1
1 52 . 10 1 1 A 12 12 PRO CB C 12 32.241 31.559 0.682 1
1 61 . 10 1 1 A 12 12 PRO C C 12 176.311 175.807 0.504 1
1 62 . 10 1 1 A 13 13 TYR N N 13 118.293 118.118 0.175 1
1 63 . 10 1 1 A 13 13 TYR H H 13 7.943 7.394 0.549 1
1 64 . 10 1 1 A 13 13 TYR CA C 13 57.354 56.831 0.523 1
1 65 . 10 1 1 A 13 13 TYR HA H 13 4.622 5.286 -0.664 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.729 40.542 -1.813 1
1 77 . 10 1 1 A 13 13 TYR C C 13 174.554 174.397 0.157 1
1 78 . 10 1 1 A 14 14 GLU N N 14 123.940 124.567 -0.627 1
1 79 . 10 1 1 A 14 14 GLU H H 14 8.632 8.929 -0.297 1
1 80 . 10 1 1 A 14 14 GLU CA C 14 54.907 55.253 -0.346 1
1 81 . 10 1 1 A 14 14 GLU HA H 14 4.961 5.330 -0.369 1
1 82 . 10 1 1 A 14 14 GLU CB C 14 33.273 33.468 -0.195 1
1 88 . 10 1 1 A 14 14 GLU C C 14 175.188 174.930 0.258 1
1 89 . 10 1 1 A 15 15 CYS N N 15 126.724 125.233 1.491 1
1 90 . 10 1 1 A 15 15 CYS H H 15 9.106 9.017 0.089 1
1 91 . 10 1 1 A 15 15 CYS CA C 15 59.792 59.726 0.066 1
1 92 . 10 1 1 A 15 15 CYS HA H 15 4.470 4.399 0.071 1
1 93 . 10 1 1 A 15 15 CYS CB C 15 29.830 29.208 0.622 1
1 96 . 10 1 1 A 15 15 CYS C C 15 176.556 174.536 2.020 1
1 97 . 10 1 1 A 16 16 ASP N N 16 130.840 124.269 6.571 1
1 98 . 10 1 1 A 16 16 ASP H H 16 9.184 8.966 0.218 1
1 99 . 10 1 1 A 16 16 ASP CA C 16 56.098 55.459 0.639 1
1 100 . 10 1 1 A 16 16 ASP HA H 16 4.423 4.799 -0.376 1
1 101 . 10 1 1 A 16 16 ASP CB C 16 40.221 41.945 -1.724 1
1 104 . 10 1 1 A 16 16 ASP C C 16 175.891 177.877 -1.986 1
1 105 . 10 1 1 A 17 17 VAL N N 17 121.778 119.958 1.820 1
1 106 . 10 1 1 A 17 17 VAL H H 17 8.715 7.789 0.926 1
1 107 . 10 1 1 A 17 17 VAL CA C 17 65.079 65.745 -0.666 1
1 108 . 10 1 1 A 17 17 VAL HA H 17 3.802 3.531 0.271 1
1 109 . 10 1 1 A 17 17 VAL CB C 17 33.070 31.461 1.609 1
1 119 . 10 1 1 A 17 17 VAL C C 17 177.159 177.732 -0.573 1
1 120 . 10 1 1 A 18 18 CYS N N 18 116.273 116.631 -0.358 1
1 121 . 10 1 1 A 18 18 CYS H H 18 8.033 7.596 0.437 1
1 122 . 10 1 1 A 18 18 CYS CA C 18 58.364 59.769 -1.405 1
1 123 . 10 1 1 A 18 18 CYS HA H 18 5.063 4.417 0.646 1
1 124 . 10 1 1 A 18 18 CYS CB C 18 32.219 28.650 3.569 1
1 127 . 10 1 1 A 18 18 CYS C C 18 175.604 174.622 0.982 1
1 128 . 10 1 1 A 19 19 ARG N N 19 116.989 116.628 0.361 1
1 129 . 10 1 1 A 19 19 ARG H H 19 8.006 7.873 0.133 1
1 130 . 10 1 1 A 19 19 ARG CA C 19 57.775 57.077 0.698 1
1 131 . 10 1 1 A 19 19 ARG HA H 19 4.185 4.275 -0.090 1
1 132 . 10 1 1 A 19 19 ARG CB C 19 26.272 27.176 -0.904 1
1 141 . 10 1 1 A 19 19 ARG C C 19 175.142 174.460 0.682 1
1 142 . 10 1 1 A 20 20 LYS N N 20 122.150 119.029 3.121 1
1 143 . 10 1 1 A 20 20 LYS H H 20 7.911 7.444 0.467 1
1 144 . 10 1 1 A 20 20 LYS CA C 20 58.232 55.982 2.250 1
1 145 . 10 1 1 A 20 20 LYS HA H 20 4.015 4.634 -0.619 1
1 146 . 10 1 1 A 20 20 LYS CB C 20 33.817 33.876 -0.059 1
1 158 . 10 1 1 A 20 20 LYS C C 20 174.015 175.471 -1.456 1
1 159 . 10 1 1 A 21 21 ALA N N 21 124.525 126.781 -2.256 1
1 160 . 10 1 1 A 21 21 ALA H H 21 7.843 8.506 -0.663 1
1 161 . 10 1 1 A 21 21 ALA CA C 21 50.504 50.190 0.314 1
1 162 . 10 1 1 A 21 21 ALA HA H 21 5.133 5.502 -0.369 1
1 163 . 10 1 1 A 21 21 ALA CB C 21 22.105 22.020 0.085 1
1 167 . 10 1 1 A 21 21 ALA C C 21 176.441 176.321 0.120 1
1 168 . 10 1 1 A 22 22 PHE N N 22 116.906 118.230 -1.324 1
1 169 . 10 1 1 A 22 22 PHE H H 22 8.731 8.330 0.401 1
1 170 . 10 1 1 A 22 22 PHE CA C 22 57.273 56.827 0.446 1
1 171 . 10 1 1 A 22 22 PHE HA H 22 4.709 4.890 -0.181 1
1 172 . 10 1 1 A 22 22 PHE CB C 22 43.819 43.468 0.351 1
1 185 . 10 1 1 A 22 22 PHE C C 22 175.611 175.798 -0.187 1
1 186 . 10 1 1 A 23 23 SER CA C 23 60.514 61.127 -0.613 1
1 187 . 10 1 1 A 23 23 SER HA H 23 4.552 4.602 -0.050 1
1 188 . 10 1 1 A 23 23 SER CB C 23 63.982 64.574 -0.592 1
1 191 . 10 1 1 A 23 23 SER C C 23 173.478 174.600 -1.122 1
1 192 . 10 1 1 A 24 24 HIS N N 24 116.869 117.797 -0.928 1
1 193 . 10 1 1 A 24 24 HIS H H 24 7.472 7.609 -0.137 1
1 194 . 10 1 1 A 24 24 HIS CA C 24 55.417 53.785 1.632 1
1 195 . 10 1 1 A 24 24 HIS HA H 24 4.878 4.837 0.041 1
1 196 . 10 1 1 A 24 24 HIS CB C 24 33.557 32.270 1.287 1
1 203 . 10 1 1 A 24 24 HIS C C 24 175.289 175.225 0.064 1
1 204 . 10 1 1 A 25 25 HIS CA C 25 60.380 60.172 0.208 1
1 205 . 10 1 1 A 25 25 HIS HA H 25 3.237 2.954 0.283 1
1 206 . 10 1 1 A 25 25 HIS CB C 25 30.379 29.994 0.385 1
1 213 . 10 1 1 A 26 26 ALA CA C 26 54.987 55.157 -0.170 1
1 214 . 10 1 1 A 26 26 ALA HA H 26 4.047 3.935 0.112 1
1 215 . 10 1 1 A 26 26 ALA CB C 26 17.884 18.556 -0.672 1
1 219 . 10 1 1 A 26 26 ALA C C 26 180.284 179.511 0.773 1
1 220 . 10 1 1 A 27 27 SER N N 27 112.465 112.699 -0.234 1
1 221 . 10 1 1 A 27 27 SER H H 27 7.065 7.857 -0.792 1
1 222 . 10 1 1 A 27 27 SER CA C 27 60.698 60.954 -0.256 1
1 223 . 10 1 1 A 27 27 SER HA H 27 4.166 4.028 0.138 1
1 224 . 10 1 1 A 27 27 SER CB C 27 62.410 62.297 0.113 1
1 227 . 10 1 1 A 27 27 SER C C 27 176.636 176.170 0.466 1
1 228 . 10 1 1 A 28 28 LEU N N 28 124.235 121.921 2.314 1
1 229 . 10 1 1 A 28 28 LEU H H 28 7.071 7.869 -0.798 1
1 230 . 10 1 1 A 28 28 LEU CA C 28 58.002 57.013 0.989 1
1 231 . 10 1 1 A 28 28 LEU HA H 28 3.173 3.205 -0.032 1
1 232 . 10 1 1 A 28 28 LEU CB C 28 40.109 41.355 -1.246 1
1 245 . 10 1 1 A 28 28 LEU C C 28 177.670 177.758 -0.088 1
1 246 . 10 1 1 A 29 29 THR N N 29 114.830 113.810 1.020 1
1 247 . 10 1 1 A 29 29 THR H H 29 8.211 7.614 0.597 1
1 248 . 10 1 1 A 29 29 THR CA C 29 66.228 65.319 0.909 1
1 249 . 10 1 1 A 29 29 THR HA H 29 3.893 3.754 0.139 1
1 250 . 10 1 1 A 29 29 THR CB C 29 68.192 68.917 -0.725 1
1 256 . 10 1 1 A 29 29 THR C C 29 177.331 176.241 1.090 1
1 257 . 10 1 1 A 30 30 GLN N N 30 120.065 121.039 -0.974 1
1 258 . 10 1 1 A 30 30 GLN H H 30 7.587 7.799 -0.212 1
1 259 . 10 1 1 A 30 30 GLN CA C 30 58.742 58.496 0.246 1
1 260 . 10 1 1 A 30 30 GLN HA H 30 3.938 4.119 -0.181 1
1 261 . 10 1 1 A 30 30 GLN CB C 30 28.472 28.984 -0.512 1
1 270 . 10 1 1 A 30 30 GLN C C 30 178.472 178.300 0.172 1
1 271 . 10 1 1 A 31 31 HIS N N 31 119.314 119.423 -0.109 1
1 272 . 10 1 1 A 31 31 HIS H H 31 7.556 7.716 -0.160 1
1 273 . 10 1 1 A 31 31 HIS CA C 31 58.950 59.620 -0.670 1
1 274 . 10 1 1 A 31 31 HIS HA H 31 4.200 4.187 0.013 1
1 275 . 10 1 1 A 31 31 HIS CB C 31 28.343 29.593 -1.250 1
1 282 . 10 1 1 A 31 31 HIS C C 31 176.128 176.565 -0.437 1
1 283 . 10 1 1 A 32 32 GLN N N 32 115.215 117.042 -1.827 1
1 284 . 10 1 1 A 32 32 GLN H H 32 8.232 8.499 -0.267 1
1 285 . 10 1 1 A 32 32 GLN CA C 32 59.474 59.105 0.369 1
1 286 . 10 1 1 A 32 32 GLN HA H 32 3.602 3.778 -0.176 1
1 287 . 10 1 1 A 32 32 GLN CB C 32 28.296 28.305 -0.009 1
1 296 . 10 1 1 A 32 32 GLN C C 32 177.517 178.457 -0.940 1
1 297 . 10 1 1 A 33 33 ARG N N 33 118.018 120.020 -2.002 1
1 298 . 10 1 1 A 33 33 ARG H H 33 7.107 7.943 -0.836 1
1 299 . 10 1 1 A 33 33 ARG CA C 33 58.590 59.077 -0.487 1
1 300 . 10 1 1 A 33 33 ARG HA H 33 4.093 3.997 0.096 1
1 301 . 10 1 1 A 33 33 ARG CB C 33 30.049 29.948 0.101 1
1 310 . 10 1 1 A 33 33 ARG C C 33 178.675 178.158 0.517 1
1 311 . 10 1 1 A 34 34 VAL N N 34 116.143 117.011 -0.868 1
1 312 . 10 1 1 A 34 34 VAL H H 34 7.914 7.970 -0.056 1
1 313 . 10 1 1 A 34 34 VAL CA C 34 64.036 65.400 -1.364 1
1 314 . 10 1 1 A 34 34 VAL HA H 34 3.908 3.739 0.169 1
1 315 . 10 1 1 A 34 34 VAL CB C 34 31.098 30.932 0.166 1
1 325 . 10 1 1 A 34 34 VAL C C 34 177.283 177.093 0.190 1
1 326 . 10 1 1 A 35 35 HIS N N 35 116.733 119.747 -3.014 1
1 327 . 10 1 1 A 35 35 HIS H H 35 7.116 7.639 -0.523 1
1 328 . 10 1 1 A 35 35 HIS CA C 35 54.703 54.742 -0.039 1
1 329 . 10 1 1 A 35 35 HIS HA H 35 4.904 4.658 0.246 1
1 330 . 10 1 1 A 35 35 HIS CB C 35 28.407 27.991 0.416 1
1 337 . 10 1 1 A 35 35 HIS C C 35 175.439 173.986 1.453 1
1 338 . 10 1 1 A 36 36 SER N N 36 114.877 116.001 -1.124 1
1 339 . 10 1 1 A 36 36 SER H H 36 7.726 7.808 -0.082 1
1 340 . 10 1 1 A 36 36 SER CA C 36 59.166 57.554 1.612 1
1 341 . 10 1 1 A 36 36 SER HA H 36 4.425 4.595 -0.170 1
1 342 . 10 1 1 A 36 36 SER CB C 36 63.898 65.179 -1.281 1
1 345 . 10 1 1 A 36 36 SER C C 36 175.093 174.646 0.447 1
1 346 . 10 1 1 A 37 37 GLY N N 37 110.867 113.588 -2.721 1
1 347 . 10 1 1 A 37 37 GLY H H 37 8.365 8.752 -0.387 1
1 348 . 10 1 1 A 37 37 GLY CA C 37 45.313 46.286 -0.973 1
1 349 . 10 1 1 A 37 37 GLY HA2 H 37 3.980 3.925 0.055 1
1 350 . 10 1 1 A 37 37 GLY HA3 H 37 3.980 3.929 0.051 1
1 351 . 10 1 1 A 37 37 GLY C C 37 174.083 174.019 0.064 1
1 352 . 10 1 1 A 38 38 GLU N N 38 120.469 121.647 -1.178 1
1 353 . 10 1 1 A 38 38 GLU H H 38 8.039 8.300 -0.261 1
1 354 . 10 1 1 A 38 38 GLU CA C 38 56.391 56.291 0.100 1
1 355 . 10 1 1 A 38 38 GLU HA H 38 4.249 4.484 -0.235 1
1 356 . 10 1 1 A 38 38 GLU CB C 38 30.526 30.573 -0.047 1
1 362 . 10 1 1 A 38 38 GLU C C 38 176.248 176.525 -0.277 1
1 363 . 10 1 1 A 39 39 LYS N N 39 123.743 119.431 4.312 1
1 364 . 10 1 1 A 39 39 LYS H H 39 8.418 8.848 -0.430 1
1 365 . 10 1 1 A 39 39 LYS CA C 39 54.112 53.241 0.871 1
1 366 . 10 1 1 A 39 39 LYS HA H 39 4.600 4.947 -0.347 1
1 367 . 10 1 1 A 39 39 LYS CB C 39 32.515 35.250 -2.735 1
1 379 . 10 1 1 A 39 39 LYS C C 39 174.467 175.900 -1.433 1
1 380 . 10 1 1 A 40 40 PRO CA C 40 63.226 63.683 -0.457 1
1 381 . 10 1 1 A 40 40 PRO HA H 40 4.454 4.508 -0.054 1
1 382 . 10 1 1 A 40 40 PRO CB C 40 32.184 31.816 0.368 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.434 45.798 -0.364 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.025 4.082 -0.057 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.025 4.083 -0.058 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.512 171.634 2.878 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.809 114.648 -1.839 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.155 8.386 -0.231 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.803 60.187 1.616 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.362 4.714 -0.352 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.812 69.916 -0.104 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.229 173.266 1.963 1
1 16 . 11 1 1 A 9 9 GLY N N 9 111.010 113.814 -2.804 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.454 8.345 0.109 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.274 45.626 -0.352 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 3.960 4.163 -0.203 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.901 4.166 -0.265 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.065 173.774 0.291 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.229 120.948 -0.719 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.235 8.662 -0.427 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.899 56.527 0.372 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.175 4.659 -0.484 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.419 32.239 -1.820 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.478 176.871 -0.393 1
1 33 . 11 1 1 A 11 11 LYS N N 11 121.796 118.245 3.551 1
1 34 . 11 1 1 A 11 11 LYS H H 11 8.316 7.595 0.721 1
1 35 . 11 1 1 A 11 11 LYS CA C 11 53.820 53.030 0.790 1
1 36 . 11 1 1 A 11 11 LYS HA H 11 4.478 4.751 -0.273 1
1 37 . 11 1 1 A 11 11 LYS CB C 11 33.093 34.872 -1.779 1
1 49 . 11 1 1 A 11 11 LYS C C 11 173.770 176.112 -2.342 1
1 50 . 11 1 1 A 12 12 PRO CA C 12 63.394 64.343 -0.949 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.276 4.328 -0.052 1
1 52 . 11 1 1 A 12 12 PRO CB C 12 32.241 31.537 0.704 1
1 61 . 11 1 1 A 12 12 PRO C C 12 176.311 175.797 0.514 1
1 62 . 11 1 1 A 13 13 TYR N N 13 118.293 118.256 0.037 1
1 63 . 11 1 1 A 13 13 TYR H H 13 7.943 7.589 0.354 1
1 64 . 11 1 1 A 13 13 TYR CA C 13 57.354 56.921 0.433 1
1 65 . 11 1 1 A 13 13 TYR HA H 13 4.622 4.906 -0.284 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.729 37.881 0.848 1
1 77 . 11 1 1 A 13 13 TYR C C 13 174.554 174.292 0.262 1
1 78 . 11 1 1 A 14 14 GLU N N 14 123.940 126.275 -2.335 1
1 79 . 11 1 1 A 14 14 GLU H H 14 8.632 8.999 -0.367 1
1 80 . 11 1 1 A 14 14 GLU CA C 14 54.907 54.563 0.344 1
1 81 . 11 1 1 A 14 14 GLU HA H 14 4.961 5.385 -0.424 1
1 82 . 11 1 1 A 14 14 GLU CB C 14 33.273 33.553 -0.280 1
1 88 . 11 1 1 A 14 14 GLU C C 14 175.188 175.582 -0.394 1
1 89 . 11 1 1 A 15 15 CYS N N 15 126.724 125.387 1.337 1
1 90 . 11 1 1 A 15 15 CYS H H 15 9.106 8.802 0.304 1
1 91 . 11 1 1 A 15 15 CYS CA C 15 59.792 59.692 0.100 1
1 92 . 11 1 1 A 15 15 CYS HA H 15 4.470 4.583 -0.113 1
1 93 . 11 1 1 A 15 15 CYS CB C 15 29.830 28.314 1.516 1
1 96 . 11 1 1 A 15 15 CYS C C 15 176.556 175.639 0.917 1
1 97 . 11 1 1 A 16 16 ASP N N 16 130.840 128.288 2.552 1
1 98 . 11 1 1 A 16 16 ASP H H 16 9.184 9.187 -0.003 1
1 99 . 11 1 1 A 16 16 ASP CA C 16 56.098 54.574 1.524 1
1 100 . 11 1 1 A 16 16 ASP HA H 16 4.423 4.873 -0.450 1
1 101 . 11 1 1 A 16 16 ASP CB C 16 40.221 40.830 -0.609 1
1 104 . 11 1 1 A 16 16 ASP C C 16 175.891 176.301 -0.410 1
1 105 . 11 1 1 A 17 17 VAL N N 17 121.778 117.606 4.172 1
1 106 . 11 1 1 A 17 17 VAL H H 17 8.715 7.815 0.900 1
1 107 . 11 1 1 A 17 17 VAL CA C 17 65.079 63.772 1.307 1
1 108 . 11 1 1 A 17 17 VAL HA H 17 3.802 4.055 -0.253 1
1 109 . 11 1 1 A 17 17 VAL CB C 17 33.070 33.327 -0.257 1
1 119 . 11 1 1 A 17 17 VAL C C 17 177.159 177.444 -0.285 1
1 120 . 11 1 1 A 18 18 CYS N N 18 116.273 115.759 0.514 1
1 121 . 11 1 1 A 18 18 CYS H H 18 8.033 8.010 0.023 1
1 122 . 11 1 1 A 18 18 CYS CA C 18 58.364 58.446 -0.082 1
1 123 . 11 1 1 A 18 18 CYS HA H 18 5.063 4.448 0.615 1
1 124 . 11 1 1 A 18 18 CYS CB C 18 32.219 28.262 3.957 1
1 127 . 11 1 1 A 18 18 CYS C C 18 175.604 174.254 1.350 1
1 128 . 11 1 1 A 19 19 ARG N N 19 116.989 116.345 0.644 1
1 129 . 11 1 1 A 19 19 ARG H H 19 8.006 7.647 0.359 1
1 130 . 11 1 1 A 19 19 ARG CA C 19 57.775 57.065 0.710 1
1 131 . 11 1 1 A 19 19 ARG HA H 19 4.185 4.245 -0.060 1
1 132 . 11 1 1 A 19 19 ARG CB C 19 26.272 27.245 -0.973 1
1 141 . 11 1 1 A 19 19 ARG C C 19 175.142 174.905 0.237 1
1 142 . 11 1 1 A 20 20 LYS N N 20 122.150 118.156 3.994 1
1 143 . 11 1 1 A 20 20 LYS H H 20 7.911 8.070 -0.159 1
1 144 . 11 1 1 A 20 20 LYS CA C 20 58.232 54.858 3.374 1
1 145 . 11 1 1 A 20 20 LYS HA H 20 4.015 4.498 -0.483 1
1 146 . 11 1 1 A 20 20 LYS CB C 20 33.817 33.937 -0.120 1
1 158 . 11 1 1 A 20 20 LYS C C 20 174.015 175.507 -1.492 1
1 159 . 11 1 1 A 21 21 ALA N N 21 124.525 120.728 3.797 1
1 160 . 11 1 1 A 21 21 ALA H H 21 7.843 8.013 -0.170 1
1 161 . 11 1 1 A 21 21 ALA CA C 21 50.504 50.669 -0.165 1
1 162 . 11 1 1 A 21 21 ALA HA H 21 5.133 5.094 0.039 1
1 163 . 11 1 1 A 21 21 ALA CB C 21 22.105 22.442 -0.337 1
1 167 . 11 1 1 A 21 21 ALA C C 21 176.441 175.098 1.343 1
1 168 . 11 1 1 A 22 22 PHE N N 22 116.906 118.872 -1.966 1
1 169 . 11 1 1 A 22 22 PHE H H 22 8.731 8.715 0.016 1
1 170 . 11 1 1 A 22 22 PHE CA C 22 57.273 56.939 0.334 1
1 171 . 11 1 1 A 22 22 PHE HA H 22 4.709 4.926 -0.217 1
1 172 . 11 1 1 A 22 22 PHE CB C 22 43.819 42.863 0.956 1
1 185 . 11 1 1 A 22 22 PHE C C 22 175.611 175.883 -0.272 1
1 186 . 11 1 1 A 23 23 SER CA C 23 60.514 61.993 -1.479 1
1 187 . 11 1 1 A 23 23 SER HA H 23 4.552 4.584 -0.032 1
1 188 . 11 1 1 A 23 23 SER CB C 23 63.982 63.975 0.007 1
1 191 . 11 1 1 A 23 23 SER C C 23 173.478 174.845 -1.367 1
1 192 . 11 1 1 A 24 24 HIS N N 24 116.869 119.474 -2.605 1
1 193 . 11 1 1 A 24 24 HIS H H 24 7.472 7.843 -0.371 1
1 194 . 11 1 1 A 24 24 HIS CA C 24 55.417 55.815 -0.398 1
1 195 . 11 1 1 A 24 24 HIS HA H 24 4.878 4.735 0.143 1
1 196 . 11 1 1 A 24 24 HIS CB C 24 33.557 31.515 2.042 1
1 203 . 11 1 1 A 24 24 HIS C C 24 175.289 176.101 -0.812 1
1 204 . 11 1 1 A 25 25 HIS CA C 25 60.380 58.234 2.146 1
1 205 . 11 1 1 A 25 25 HIS HA H 25 3.237 2.729 0.508 1
1 206 . 11 1 1 A 25 25 HIS CB C 25 30.379 28.676 1.703 1
1 213 . 11 1 1 A 26 26 ALA CA C 26 54.987 54.580 0.407 1
1 214 . 11 1 1 A 26 26 ALA HA H 26 4.047 3.377 0.670 1
1 215 . 11 1 1 A 26 26 ALA CB C 26 17.884 17.877 0.007 1
1 219 . 11 1 1 A 26 26 ALA C C 26 180.284 179.671 0.613 1
1 220 . 11 1 1 A 27 27 SER N N 27 112.465 113.645 -1.180 1
1 221 . 11 1 1 A 27 27 SER H H 27 7.065 7.793 -0.728 1
1 222 . 11 1 1 A 27 27 SER CA C 27 60.698 61.511 -0.813 1
1 223 . 11 1 1 A 27 27 SER HA H 27 4.166 4.134 0.032 1
1 224 . 11 1 1 A 27 27 SER CB C 27 62.410 63.107 -0.697 1
1 227 . 11 1 1 A 27 27 SER C C 27 176.636 175.760 0.876 1
1 228 . 11 1 1 A 28 28 LEU N N 28 124.235 121.495 2.740 1
1 229 . 11 1 1 A 28 28 LEU H H 28 7.071 7.387 -0.316 1
1 230 . 11 1 1 A 28 28 LEU CA C 28 58.002 56.930 1.072 1
1 231 . 11 1 1 A 28 28 LEU HA H 28 3.173 2.942 0.231 1
1 232 . 11 1 1 A 28 28 LEU CB C 28 40.109 41.697 -1.588 1
1 245 . 11 1 1 A 28 28 LEU C C 28 177.670 177.760 -0.090 1
1 246 . 11 1 1 A 29 29 THR N N 29 114.830 113.867 0.963 1
1 247 . 11 1 1 A 29 29 THR H H 29 8.211 7.684 0.527 1
1 248 . 11 1 1 A 29 29 THR CA C 29 66.228 65.299 0.929 1
1 249 . 11 1 1 A 29 29 THR HA H 29 3.893 3.811 0.082 1
1 250 . 11 1 1 A 29 29 THR CB C 29 68.192 68.753 -0.561 1
1 256 . 11 1 1 A 29 29 THR C C 29 177.331 176.837 0.494 1
1 257 . 11 1 1 A 30 30 GLN N N 30 120.065 118.820 1.245 1
1 258 . 11 1 1 A 30 30 GLN H H 30 7.587 8.803 -1.216 1
1 259 . 11 1 1 A 30 30 GLN CA C 30 58.742 58.609 0.133 1
1 260 . 11 1 1 A 30 30 GLN HA H 30 3.938 3.988 -0.050 1
1 261 . 11 1 1 A 30 30 GLN CB C 30 28.472 27.868 0.604 1
1 270 . 11 1 1 A 30 30 GLN C C 30 178.472 177.969 0.503 1
1 271 . 11 1 1 A 31 31 HIS N N 31 119.314 119.610 -0.296 1
1 272 . 11 1 1 A 31 31 HIS H H 31 7.556 7.962 -0.406 1
1 273 . 11 1 1 A 31 31 HIS CA C 31 58.950 59.374 -0.424 1
1 274 . 11 1 1 A 31 31 HIS HA H 31 4.200 4.171 0.029 1
1 275 . 11 1 1 A 31 31 HIS CB C 31 28.343 30.046 -1.703 1
1 282 . 11 1 1 A 31 31 HIS C C 31 176.128 176.912 -0.784 1
1 283 . 11 1 1 A 32 32 GLN N N 32 115.215 117.344 -2.129 1
1 284 . 11 1 1 A 32 32 GLN H H 32 8.232 8.359 -0.127 1
1 285 . 11 1 1 A 32 32 GLN CA C 32 59.474 59.213 0.261 1
1 286 . 11 1 1 A 32 32 GLN HA H 32 3.602 3.967 -0.365 1
1 287 . 11 1 1 A 32 32 GLN CB C 32 28.296 28.371 -0.075 1
1 296 . 11 1 1 A 32 32 GLN C C 32 177.517 178.488 -0.971 1
1 297 . 11 1 1 A 33 33 ARG N N 33 118.018 120.223 -2.205 1
1 298 . 11 1 1 A 33 33 ARG H H 33 7.107 8.030 -0.923 1
1 299 . 11 1 1 A 33 33 ARG CA C 33 58.590 59.045 -0.455 1
1 300 . 11 1 1 A 33 33 ARG HA H 33 4.093 3.921 0.172 1
1 301 . 11 1 1 A 33 33 ARG CB C 33 30.049 29.840 0.209 1
1 310 . 11 1 1 A 33 33 ARG C C 33 178.675 178.386 0.289 1
1 311 . 11 1 1 A 34 34 VAL N N 34 116.143 116.616 -0.473 1
1 312 . 11 1 1 A 34 34 VAL H H 34 7.914 8.078 -0.164 1
1 313 . 11 1 1 A 34 34 VAL CA C 34 64.036 65.042 -1.006 1
1 314 . 11 1 1 A 34 34 VAL HA H 34 3.908 3.739 0.169 1
1 315 . 11 1 1 A 34 34 VAL CB C 34 31.098 30.926 0.172 1
1 325 . 11 1 1 A 34 34 VAL C C 34 177.283 175.847 1.436 1
1 326 . 11 1 1 A 35 35 HIS N N 35 116.733 120.918 -4.185 1
1 327 . 11 1 1 A 35 35 HIS H H 35 7.116 7.932 -0.816 1
1 328 . 11 1 1 A 35 35 HIS CA C 35 54.703 55.050 -0.347 1
1 329 . 11 1 1 A 35 35 HIS HA H 35 4.904 4.758 0.146 1
1 330 . 11 1 1 A 35 35 HIS CB C 35 28.407 30.422 -2.015 1
1 337 . 11 1 1 A 35 35 HIS C C 35 175.439 174.984 0.455 1
1 338 . 11 1 1 A 36 36 SER N N 36 114.877 120.601 -5.724 1
1 339 . 11 1 1 A 36 36 SER H H 36 7.726 8.710 -0.984 1
1 340 . 11 1 1 A 36 36 SER CA C 36 59.166 58.782 0.384 1
1 341 . 11 1 1 A 36 36 SER HA H 36 4.425 4.296 0.129 1
1 342 . 11 1 1 A 36 36 SER CB C 36 63.898 63.420 0.478 1
1 345 . 11 1 1 A 36 36 SER C C 36 175.093 175.409 -0.316 1
1 346 . 11 1 1 A 37 37 GLY N N 37 110.867 110.445 0.422 1
1 347 . 11 1 1 A 37 37 GLY H H 37 8.365 8.442 -0.077 1
1 348 . 11 1 1 A 37 37 GLY CA C 37 45.313 44.073 1.240 1
1 349 . 11 1 1 A 37 37 GLY HA2 H 37 3.980 4.137 -0.157 1
1 350 . 11 1 1 A 37 37 GLY HA3 H 37 3.980 4.146 -0.166 1
1 351 . 11 1 1 A 37 37 GLY C C 37 174.083 174.039 0.044 1
1 352 . 11 1 1 A 38 38 GLU N N 38 120.469 117.143 3.326 1
1 353 . 11 1 1 A 38 38 GLU H H 38 8.039 8.814 -0.775 1
1 354 . 11 1 1 A 38 38 GLU CA C 38 56.391 57.359 -0.968 1
1 355 . 11 1 1 A 38 38 GLU HA H 38 4.249 3.790 0.459 1
1 356 . 11 1 1 A 38 38 GLU CB C 38 30.526 27.964 2.562 1
1 362 . 11 1 1 A 38 38 GLU C C 38 176.248 175.276 0.972 1
1 363 . 11 1 1 A 39 39 LYS N N 39 123.743 117.274 6.469 1
1 364 . 11 1 1 A 39 39 LYS H H 39 8.418 7.640 0.778 1
1 365 . 11 1 1 A 39 39 LYS CA C 39 54.112 55.230 -1.118 1
1 366 . 11 1 1 A 39 39 LYS HA H 39 4.600 4.615 -0.015 1
1 367 . 11 1 1 A 39 39 LYS CB C 39 32.515 32.447 0.068 1
1 379 . 11 1 1 A 39 39 LYS C C 39 174.467 176.408 -1.941 1
1 380 . 11 1 1 A 40 40 PRO CA C 40 63.226 63.747 -0.521 1
1 381 . 11 1 1 A 40 40 PRO HA H 40 4.454 4.393 0.061 1
1 382 . 11 1 1 A 40 40 PRO CB C 40 32.184 31.920 0.264 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.434 44.770 0.664 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.025 4.107 -0.082 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.025 4.108 -0.083 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.512 173.308 1.204 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.809 112.760 0.049 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.155 9.167 -1.012 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.803 62.971 -1.168 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.362 4.047 0.315 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.812 67.297 2.515 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.229 173.901 1.328 1
1 16 . 12 1 1 A 9 9 GLY N N 9 111.010 107.289 3.721 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.454 8.273 0.181 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.274 44.456 0.818 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 3.960 4.097 -0.137 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.901 4.097 -0.196 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.065 172.796 1.269 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.229 118.578 1.651 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.235 8.700 -0.465 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.899 54.949 1.950 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.175 5.145 -0.970 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.419 32.053 -1.634 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.478 175.602 0.876 1
1 33 . 12 1 1 A 11 11 LYS N N 11 121.796 119.341 2.455 1
1 34 . 12 1 1 A 11 11 LYS H H 11 8.316 8.580 -0.264 1
1 35 . 12 1 1 A 11 11 LYS CA C 11 53.820 54.136 -0.316 1
1 36 . 12 1 1 A 11 11 LYS HA H 11 4.478 4.882 -0.404 1
1 37 . 12 1 1 A 11 11 LYS CB C 11 33.093 32.424 0.669 1
1 49 . 12 1 1 A 11 11 LYS C C 11 173.770 176.610 -2.840 1
1 50 . 12 1 1 A 12 12 PRO CA C 12 63.394 63.910 -0.516 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.276 4.425 -0.149 1
1 52 . 12 1 1 A 12 12 PRO CB C 12 32.241 31.428 0.813 1
1 61 . 12 1 1 A 12 12 PRO C C 12 176.311 175.709 0.602 1
1 62 . 12 1 1 A 13 13 TYR N N 13 118.293 119.398 -1.105 1
1 63 . 12 1 1 A 13 13 TYR H H 13 7.943 7.514 0.429 1
1 64 . 12 1 1 A 13 13 TYR CA C 13 57.354 57.412 -0.058 1
1 65 . 12 1 1 A 13 13 TYR HA H 13 4.622 5.008 -0.386 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.729 40.836 -2.107 1
1 77 . 12 1 1 A 13 13 TYR C C 13 174.554 175.176 -0.622 1
1 78 . 12 1 1 A 14 14 GLU N N 14 123.940 122.406 1.534 1
1 79 . 12 1 1 A 14 14 GLU H H 14 8.632 8.821 -0.189 1
1 80 . 12 1 1 A 14 14 GLU CA C 14 54.907 55.800 -0.893 1
1 81 . 12 1 1 A 14 14 GLU HA H 14 4.961 5.259 -0.298 1
1 82 . 12 1 1 A 14 14 GLU CB C 14 33.273 34.230 -0.957 1
1 88 . 12 1 1 A 14 14 GLU C C 14 175.188 174.366 0.822 1
1 89 . 12 1 1 A 15 15 CYS N N 15 126.724 123.809 2.915 1
1 90 . 12 1 1 A 15 15 CYS H H 15 9.106 8.841 0.265 1
1 91 . 12 1 1 A 15 15 CYS CA C 15 59.792 58.823 0.969 1
1 92 . 12 1 1 A 15 15 CYS HA H 15 4.470 4.798 -0.328 1
1 93 . 12 1 1 A 15 15 CYS CB C 15 29.830 29.548 0.282 1
1 96 . 12 1 1 A 15 15 CYS C C 15 176.556 174.439 2.117 1
1 97 . 12 1 1 A 16 16 ASP N N 16 130.840 123.590 7.250 1
1 98 . 12 1 1 A 16 16 ASP H H 16 9.184 9.107 0.077 1
1 99 . 12 1 1 A 16 16 ASP CA C 16 56.098 54.873 1.225 1
1 100 . 12 1 1 A 16 16 ASP HA H 16 4.423 4.917 -0.494 1
1 101 . 12 1 1 A 16 16 ASP CB C 16 40.221 42.473 -2.252 1
1 104 . 12 1 1 A 16 16 ASP C C 16 175.891 176.865 -0.974 1
1 105 . 12 1 1 A 17 17 VAL N N 17 121.778 119.412 2.366 1
1 106 . 12 1 1 A 17 17 VAL H H 17 8.715 7.784 0.931 1
1 107 . 12 1 1 A 17 17 VAL CA C 17 65.079 64.627 0.452 1
1 108 . 12 1 1 A 17 17 VAL HA H 17 3.802 3.725 0.077 1
1 109 . 12 1 1 A 17 17 VAL CB C 17 33.070 31.790 1.280 1
1 119 . 12 1 1 A 17 17 VAL C C 17 177.159 177.565 -0.406 1
1 120 . 12 1 1 A 18 18 CYS N N 18 116.273 115.892 0.381 1
1 121 . 12 1 1 A 18 18 CYS H H 18 8.033 7.887 0.146 1
1 122 . 12 1 1 A 18 18 CYS CA C 18 58.364 58.147 0.217 1
1 123 . 12 1 1 A 18 18 CYS HA H 18 5.063 4.489 0.574 1
1 124 . 12 1 1 A 18 18 CYS CB C 18 32.219 28.500 3.719 1
1 127 . 12 1 1 A 18 18 CYS C C 18 175.604 174.440 1.164 1
1 128 . 12 1 1 A 19 19 ARG N N 19 116.989 116.413 0.576 1
1 129 . 12 1 1 A 19 19 ARG H H 19 8.006 7.963 0.043 1
1 130 . 12 1 1 A 19 19 ARG CA C 19 57.775 56.939 0.836 1
1 131 . 12 1 1 A 19 19 ARG HA H 19 4.185 4.028 0.157 1
1 132 . 12 1 1 A 19 19 ARG CB C 19 26.272 27.402 -1.130 1
1 141 . 12 1 1 A 19 19 ARG C C 19 175.142 174.699 0.443 1
1 142 . 12 1 1 A 20 20 LYS N N 20 122.150 118.526 3.624 1
1 143 . 12 1 1 A 20 20 LYS H H 20 7.911 7.955 -0.044 1
1 144 . 12 1 1 A 20 20 LYS CA C 20 58.232 55.913 2.319 1
1 145 . 12 1 1 A 20 20 LYS HA H 20 4.015 4.323 -0.308 1
1 146 . 12 1 1 A 20 20 LYS CB C 20 33.817 33.649 0.168 1
1 158 . 12 1 1 A 20 20 LYS C C 20 174.015 175.310 -1.295 1
1 159 . 12 1 1 A 21 21 ALA N N 21 124.525 124.755 -0.230 1
1 160 . 12 1 1 A 21 21 ALA H H 21 7.843 8.093 -0.250 1
1 161 . 12 1 1 A 21 21 ALA CA C 21 50.504 49.821 0.683 1
1 162 . 12 1 1 A 21 21 ALA HA H 21 5.133 5.497 -0.364 1
1 163 . 12 1 1 A 21 21 ALA CB C 21 22.105 22.591 -0.486 1
1 167 . 12 1 1 A 21 21 ALA C C 21 176.441 175.773 0.668 1
1 168 . 12 1 1 A 22 22 PHE N N 22 116.906 118.664 -1.758 1
1 169 . 12 1 1 A 22 22 PHE H H 22 8.731 8.620 0.111 1
1 170 . 12 1 1 A 22 22 PHE CA C 22 57.273 56.392 0.881 1
1 171 . 12 1 1 A 22 22 PHE HA H 22 4.709 5.037 -0.328 1
1 172 . 12 1 1 A 22 22 PHE CB C 22 43.819 44.014 -0.195 1
1 185 . 12 1 1 A 22 22 PHE C C 22 175.611 174.588 1.023 1
1 186 . 12 1 1 A 23 23 SER CA C 23 60.514 57.381 3.133 1
1 187 . 12 1 1 A 23 23 SER HA H 23 4.552 4.975 -0.423 1
1 188 . 12 1 1 A 23 23 SER CB C 23 63.982 63.728 0.254 1
1 191 . 12 1 1 A 23 23 SER C C 23 173.478 173.807 -0.329 1
1 192 . 12 1 1 A 24 24 HIS N N 24 116.869 120.299 -3.430 1
1 193 . 12 1 1 A 24 24 HIS H H 24 7.472 7.577 -0.105 1
1 194 . 12 1 1 A 24 24 HIS CA C 24 55.417 56.141 -0.724 1
1 195 . 12 1 1 A 24 24 HIS HA H 24 4.878 4.571 0.307 1
1 196 . 12 1 1 A 24 24 HIS CB C 24 33.557 32.152 1.405 1
1 203 . 12 1 1 A 24 24 HIS C C 24 175.289 174.533 0.756 1
1 204 . 12 1 1 A 25 25 HIS CA C 25 60.380 60.038 0.342 1
1 205 . 12 1 1 A 25 25 HIS HA H 25 3.237 3.198 0.039 1
1 206 . 12 1 1 A 25 25 HIS CB C 25 30.379 30.471 -0.092 1
1 213 . 12 1 1 A 26 26 ALA CA C 26 54.987 55.238 -0.251 1
1 214 . 12 1 1 A 26 26 ALA HA H 26 4.047 3.944 0.103 1
1 215 . 12 1 1 A 26 26 ALA CB C 26 17.884 18.000 -0.116 1
1 219 . 12 1 1 A 26 26 ALA C C 26 180.284 180.011 0.273 1
1 220 . 12 1 1 A 27 27 SER N N 27 112.465 113.762 -1.297 1
1 221 . 12 1 1 A 27 27 SER H H 27 7.065 7.868 -0.803 1
1 222 . 12 1 1 A 27 27 SER CA C 27 60.698 61.214 -0.516 1
1 223 . 12 1 1 A 27 27 SER HA H 27 4.166 4.540 -0.374 1
1 224 . 12 1 1 A 27 27 SER CB C 27 62.410 62.914 -0.504 1
1 227 . 12 1 1 A 27 27 SER C C 27 176.636 175.820 0.816 1
1 228 . 12 1 1 A 28 28 LEU N N 28 124.235 121.787 2.448 1
1 229 . 12 1 1 A 28 28 LEU H H 28 7.071 7.395 -0.324 1
1 230 . 12 1 1 A 28 28 LEU CA C 28 58.002 57.015 0.987 1
1 231 . 12 1 1 A 28 28 LEU HA H 28 3.173 3.037 0.136 1
1 232 . 12 1 1 A 28 28 LEU CB C 28 40.109 41.862 -1.753 1
1 245 . 12 1 1 A 28 28 LEU C C 28 177.670 177.899 -0.229 1
1 246 . 12 1 1 A 29 29 THR N N 29 114.830 113.970 0.860 1
1 247 . 12 1 1 A 29 29 THR H H 29 8.211 7.817 0.394 1
1 248 . 12 1 1 A 29 29 THR CA C 29 66.228 65.384 0.844 1
1 249 . 12 1 1 A 29 29 THR HA H 29 3.893 3.811 0.082 1
1 250 . 12 1 1 A 29 29 THR CB C 29 68.192 69.029 -0.837 1
1 256 . 12 1 1 A 29 29 THR C C 29 177.331 176.810 0.521 1
1 257 . 12 1 1 A 30 30 GLN N N 30 120.065 118.773 1.292 1
1 258 . 12 1 1 A 30 30 GLN H H 30 7.587 8.734 -1.147 1
1 259 . 12 1 1 A 30 30 GLN CA C 30 58.742 58.343 0.399 1
1 260 . 12 1 1 A 30 30 GLN HA H 30 3.938 4.035 -0.097 1
1 261 . 12 1 1 A 30 30 GLN CB C 30 28.472 28.579 -0.107 1
1 270 . 12 1 1 A 30 30 GLN C C 30 178.472 178.078 0.394 1
1 271 . 12 1 1 A 31 31 HIS N N 31 119.314 119.456 -0.142 1
1 272 . 12 1 1 A 31 31 HIS H H 31 7.556 8.066 -0.510 1
1 273 . 12 1 1 A 31 31 HIS CA C 31 58.950 59.286 -0.336 1
1 274 . 12 1 1 A 31 31 HIS HA H 31 4.200 4.187 0.013 1
1 275 . 12 1 1 A 31 31 HIS CB C 31 28.343 29.790 -1.447 1
1 282 . 12 1 1 A 31 31 HIS C C 31 176.128 177.055 -0.927 1
1 283 . 12 1 1 A 32 32 GLN N N 32 115.215 117.264 -2.049 1
1 284 . 12 1 1 A 32 32 GLN H H 32 8.232 8.383 -0.151 1
1 285 . 12 1 1 A 32 32 GLN CA C 32 59.474 59.196 0.278 1
1 286 . 12 1 1 A 32 32 GLN HA H 32 3.602 3.746 -0.144 1
1 287 . 12 1 1 A 32 32 GLN CB C 32 28.296 28.265 0.031 1
1 296 . 12 1 1 A 32 32 GLN C C 32 177.517 178.411 -0.894 1
1 297 . 12 1 1 A 33 33 ARG N N 33 118.018 120.244 -2.226 1
1 298 . 12 1 1 A 33 33 ARG H H 33 7.107 7.555 -0.448 1
1 299 . 12 1 1 A 33 33 ARG CA C 33 58.590 58.957 -0.367 1
1 300 . 12 1 1 A 33 33 ARG HA H 33 4.093 3.920 0.173 1
1 301 . 12 1 1 A 33 33 ARG CB C 33 30.049 29.753 0.296 1
1 310 . 12 1 1 A 33 33 ARG C C 33 178.675 178.529 0.146 1
1 311 . 12 1 1 A 34 34 VAL N N 34 116.143 117.290 -1.147 1
1 312 . 12 1 1 A 34 34 VAL H H 34 7.914 8.009 -0.095 1
1 313 . 12 1 1 A 34 34 VAL CA C 34 64.036 65.463 -1.427 1
1 314 . 12 1 1 A 34 34 VAL HA H 34 3.908 3.752 0.156 1
1 315 . 12 1 1 A 34 34 VAL CB C 34 31.098 30.851 0.247 1
1 325 . 12 1 1 A 34 34 VAL C C 34 177.283 177.114 0.169 1
1 326 . 12 1 1 A 35 35 HIS N N 35 116.733 119.916 -3.183 1
1 327 . 12 1 1 A 35 35 HIS H H 35 7.116 7.551 -0.435 1
1 328 . 12 1 1 A 35 35 HIS CA C 35 54.703 55.393 -0.690 1
1 329 . 12 1 1 A 35 35 HIS HA H 35 4.904 4.653 0.251 1
1 330 . 12 1 1 A 35 35 HIS CB C 35 28.407 28.615 -0.208 1
1 337 . 12 1 1 A 35 35 HIS C C 35 175.439 175.692 -0.253 1
1 338 . 12 1 1 A 36 36 SER N N 36 114.877 112.138 2.739 1
1 339 . 12 1 1 A 36 36 SER H H 36 7.726 7.692 0.034 1
1 340 . 12 1 1 A 36 36 SER CA C 36 59.166 58.871 0.295 1
1 341 . 12 1 1 A 36 36 SER HA H 36 4.425 4.415 0.010 1
1 342 . 12 1 1 A 36 36 SER CB C 36 63.898 64.636 -0.738 1
1 345 . 12 1 1 A 36 36 SER C C 36 175.093 174.902 0.191 1
1 346 . 12 1 1 A 37 37 GLY N N 37 110.867 109.207 1.660 1
1 347 . 12 1 1 A 37 37 GLY H H 37 8.365 7.859 0.506 1
1 348 . 12 1 1 A 37 37 GLY CA C 37 45.313 44.822 0.491 1
1 349 . 12 1 1 A 37 37 GLY HA2 H 37 3.980 4.002 -0.022 1
1 350 . 12 1 1 A 37 37 GLY HA3 H 37 3.980 4.004 -0.024 1
1 351 . 12 1 1 A 37 37 GLY C C 37 174.083 173.619 0.464 1
1 352 . 12 1 1 A 38 38 GLU N N 38 120.469 122.814 -2.345 1
1 353 . 12 1 1 A 38 38 GLU H H 38 8.039 8.625 -0.586 1
1 354 . 12 1 1 A 38 38 GLU CA C 38 56.391 55.557 0.834 1
1 355 . 12 1 1 A 38 38 GLU HA H 38 4.249 4.449 -0.200 1
1 356 . 12 1 1 A 38 38 GLU CB C 38 30.526 28.712 1.814 1
1 362 . 12 1 1 A 38 38 GLU C C 38 176.248 175.106 1.142 1
1 363 . 12 1 1 A 39 39 LYS N N 39 123.743 117.818 5.925 1
1 364 . 12 1 1 A 39 39 LYS H H 39 8.418 7.697 0.721 1
1 365 . 12 1 1 A 39 39 LYS CA C 39 54.112 54.323 -0.211 1
1 366 . 12 1 1 A 39 39 LYS HA H 39 4.600 4.897 -0.297 1
1 367 . 12 1 1 A 39 39 LYS CB C 39 32.515 35.132 -2.617 1
1 379 . 12 1 1 A 39 39 LYS C C 39 174.467 175.877 -1.410 1
1 380 . 12 1 1 A 40 40 PRO CA C 40 63.226 63.934 -0.708 1
1 381 . 12 1 1 A 40 40 PRO HA H 40 4.454 4.497 -0.043 1
1 382 . 12 1 1 A 40 40 PRO CB C 40 32.184 31.734 0.450 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.434 45.694 -0.260 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.025 4.067 -0.042 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.025 4.067 -0.042 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.512 172.159 2.353 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.809 121.037 -8.228 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.155 8.617 -0.462 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.803 64.114 -2.311 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.362 4.142 0.220 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.812 68.752 1.060 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.229 175.421 -0.192 1
1 16 . 13 1 1 A 9 9 GLY N N 9 111.010 114.962 -3.952 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.454 8.992 -0.538 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.274 46.960 -1.686 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 3.960 3.820 0.140 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.901 3.821 0.080 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.065 173.679 0.386 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.229 120.587 -0.358 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.235 8.027 0.208 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.899 55.392 1.507 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.175 4.335 -0.160 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.419 30.095 0.324 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.478 176.021 0.457 1
1 33 . 13 1 1 A 11 11 LYS N N 11 121.796 115.257 6.539 1
1 34 . 13 1 1 A 11 11 LYS H H 11 8.316 8.727 -0.411 1
1 35 . 13 1 1 A 11 11 LYS CA C 11 53.820 53.198 0.622 1
1 36 . 13 1 1 A 11 11 LYS HA H 11 4.478 4.873 -0.395 1
1 37 . 13 1 1 A 11 11 LYS CB C 11 33.093 35.540 -2.447 1
1 49 . 13 1 1 A 11 11 LYS C C 11 173.770 175.756 -1.986 1
1 50 . 13 1 1 A 12 12 PRO CA C 12 63.394 63.874 -0.480 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.276 4.213 0.063 1
1 52 . 13 1 1 A 12 12 PRO CB C 12 32.241 31.270 0.971 1
1 61 . 13 1 1 A 12 12 PRO C C 12 176.311 175.544 0.767 1
1 62 . 13 1 1 A 13 13 TYR N N 13 118.293 117.772 0.521 1
1 63 . 13 1 1 A 13 13 TYR H H 13 7.943 7.404 0.539 1
1 64 . 13 1 1 A 13 13 TYR CA C 13 57.354 56.092 1.262 1
1 65 . 13 1 1 A 13 13 TYR HA H 13 4.622 5.217 -0.595 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.729 42.712 -3.983 1
1 77 . 13 1 1 A 13 13 TYR C C 13 174.554 174.390 0.164 1
1 78 . 13 1 1 A 14 14 GLU N N 14 123.940 124.248 -0.308 1
1 79 . 13 1 1 A 14 14 GLU H H 14 8.632 8.862 -0.230 1
1 80 . 13 1 1 A 14 14 GLU CA C 14 54.907 55.748 -0.841 1
1 81 . 13 1 1 A 14 14 GLU HA H 14 4.961 4.949 0.012 1
1 82 . 13 1 1 A 14 14 GLU CB C 14 33.273 33.141 0.132 1
1 88 . 13 1 1 A 14 14 GLU C C 14 175.188 174.634 0.554 1
1 89 . 13 1 1 A 15 15 CYS N N 15 126.724 125.013 1.711 1
1 90 . 13 1 1 A 15 15 CYS H H 15 9.106 9.129 -0.023 1
1 91 . 13 1 1 A 15 15 CYS CA C 15 59.792 59.529 0.263 1
1 92 . 13 1 1 A 15 15 CYS HA H 15 4.470 4.628 -0.158 1
1 93 . 13 1 1 A 15 15 CYS CB C 15 29.830 29.075 0.755 1
1 96 . 13 1 1 A 15 15 CYS C C 15 176.556 174.475 2.081 1
1 97 . 13 1 1 A 16 16 ASP N N 16 130.840 123.875 6.965 1
1 98 . 13 1 1 A 16 16 ASP H H 16 9.184 8.981 0.203 1
1 99 . 13 1 1 A 16 16 ASP CA C 16 56.098 55.163 0.935 1
1 100 . 13 1 1 A 16 16 ASP HA H 16 4.423 4.880 -0.457 1
1 101 . 13 1 1 A 16 16 ASP CB C 16 40.221 42.563 -2.342 1
1 104 . 13 1 1 A 16 16 ASP C C 16 175.891 177.495 -1.604 1
1 105 . 13 1 1 A 17 17 VAL N N 17 121.778 120.420 1.358 1
1 106 . 13 1 1 A 17 17 VAL H H 17 8.715 7.973 0.742 1
1 107 . 13 1 1 A 17 17 VAL CA C 17 65.079 65.633 -0.554 1
1 108 . 13 1 1 A 17 17 VAL HA H 17 3.802 3.677 0.125 1
1 109 . 13 1 1 A 17 17 VAL CB C 17 33.070 31.559 1.511 1
1 119 . 13 1 1 A 17 17 VAL C C 17 177.159 177.566 -0.407 1
1 120 . 13 1 1 A 18 18 CYS N N 18 116.273 116.902 -0.629 1
1 121 . 13 1 1 A 18 18 CYS H H 18 8.033 7.912 0.121 1
1 122 . 13 1 1 A 18 18 CYS CA C 18 58.364 58.711 -0.347 1
1 123 . 13 1 1 A 18 18 CYS HA H 18 5.063 4.488 0.575 1
1 124 . 13 1 1 A 18 18 CYS CB C 18 32.219 29.902 2.317 1
1 127 . 13 1 1 A 18 18 CYS C C 18 175.604 174.960 0.644 1
1 128 . 13 1 1 A 19 19 ARG N N 19 116.989 116.399 0.590 1
1 129 . 13 1 1 A 19 19 ARG H H 19 8.006 7.955 0.051 1
1 130 . 13 1 1 A 19 19 ARG CA C 19 57.775 57.061 0.714 1
1 131 . 13 1 1 A 19 19 ARG HA H 19 4.185 4.286 -0.101 1
1 132 . 13 1 1 A 19 19 ARG CB C 19 26.272 27.081 -0.809 1
1 141 . 13 1 1 A 19 19 ARG C C 19 175.142 175.275 -0.133 1
1 142 . 13 1 1 A 20 20 LYS N N 20 122.150 118.755 3.395 1
1 143 . 13 1 1 A 20 20 LYS H H 20 7.911 7.729 0.182 1
1 144 . 13 1 1 A 20 20 LYS CA C 20 58.232 55.876 2.356 1
1 145 . 13 1 1 A 20 20 LYS HA H 20 4.015 4.253 -0.238 1
1 146 . 13 1 1 A 20 20 LYS CB C 20 33.817 33.895 -0.078 1
1 158 . 13 1 1 A 20 20 LYS C C 20 174.015 175.231 -1.216 1
1 159 . 13 1 1 A 21 21 ALA N N 21 124.525 120.170 4.355 1
1 160 . 13 1 1 A 21 21 ALA H H 21 7.843 7.637 0.206 1
1 161 . 13 1 1 A 21 21 ALA CA C 21 50.504 49.711 0.793 1
1 162 . 13 1 1 A 21 21 ALA HA H 21 5.133 5.190 -0.057 1
1 163 . 13 1 1 A 21 21 ALA CB C 21 22.105 22.419 -0.314 1
1 167 . 13 1 1 A 21 21 ALA C C 21 176.441 175.049 1.392 1
1 168 . 13 1 1 A 22 22 PHE N N 22 116.906 117.652 -0.746 1
1 169 . 13 1 1 A 22 22 PHE H H 22 8.731 8.207 0.524 1
1 170 . 13 1 1 A 22 22 PHE CA C 22 57.273 56.743 0.530 1
1 171 . 13 1 1 A 22 22 PHE HA H 22 4.709 4.979 -0.270 1
1 172 . 13 1 1 A 22 22 PHE CB C 22 43.819 41.735 2.084 1
1 185 . 13 1 1 A 22 22 PHE C C 22 175.611 175.673 -0.062 1
1 186 . 13 1 1 A 23 23 SER CA C 23 60.514 61.885 -1.371 1
1 187 . 13 1 1 A 23 23 SER HA H 23 4.552 4.383 0.169 1
1 188 . 13 1 1 A 23 23 SER CB C 23 63.982 63.050 0.932 1
1 191 . 13 1 1 A 23 23 SER C C 23 173.478 174.204 -0.726 1
1 192 . 13 1 1 A 24 24 HIS N N 24 116.869 120.430 -3.561 1
1 193 . 13 1 1 A 24 24 HIS H H 24 7.472 7.933 -0.461 1
1 194 . 13 1 1 A 24 24 HIS CA C 24 55.417 54.701 0.716 1
1 195 . 13 1 1 A 24 24 HIS HA H 24 4.878 4.749 0.129 1
1 196 . 13 1 1 A 24 24 HIS CB C 24 33.557 31.003 2.554 1
1 203 . 13 1 1 A 24 24 HIS C C 24 175.289 175.161 0.128 1
1 204 . 13 1 1 A 25 25 HIS CA C 25 60.380 59.870 0.510 1
1 205 . 13 1 1 A 25 25 HIS HA H 25 3.237 3.267 -0.030 1
1 206 . 13 1 1 A 25 25 HIS CB C 25 30.379 29.975 0.404 1
1 213 . 13 1 1 A 26 26 ALA CA C 26 54.987 55.176 -0.189 1
1 214 . 13 1 1 A 26 26 ALA HA H 26 4.047 3.687 0.360 1
1 215 . 13 1 1 A 26 26 ALA CB C 26 17.884 18.179 -0.295 1
1 219 . 13 1 1 A 26 26 ALA C C 26 180.284 179.891 0.393 1
1 220 . 13 1 1 A 27 27 SER N N 27 112.465 113.317 -0.852 1
1 221 . 13 1 1 A 27 27 SER H H 27 7.065 7.692 -0.627 1
1 222 . 13 1 1 A 27 27 SER CA C 27 60.698 62.187 -1.489 1
1 223 . 13 1 1 A 27 27 SER HA H 27 4.166 4.053 0.113 1
1 224 . 13 1 1 A 27 27 SER CB C 27 62.410 62.986 -0.576 1
1 227 . 13 1 1 A 27 27 SER C C 27 176.636 175.684 0.952 1
1 228 . 13 1 1 A 28 28 LEU N N 28 124.235 121.523 2.712 1
1 229 . 13 1 1 A 28 28 LEU H H 28 7.071 7.955 -0.884 1
1 230 . 13 1 1 A 28 28 LEU CA C 28 58.002 57.217 0.785 1
1 231 . 13 1 1 A 28 28 LEU HA H 28 3.173 3.103 0.070 1
1 232 . 13 1 1 A 28 28 LEU CB C 28 40.109 41.350 -1.241 1
1 245 . 13 1 1 A 28 28 LEU C C 28 177.670 178.551 -0.881 1
1 246 . 13 1 1 A 29 29 THR N N 29 114.830 114.774 0.056 1
1 247 . 13 1 1 A 29 29 THR H H 29 8.211 8.370 -0.159 1
1 248 . 13 1 1 A 29 29 THR CA C 29 66.228 66.794 -0.566 1
1 249 . 13 1 1 A 29 29 THR HA H 29 3.893 3.835 0.058 1
1 250 . 13 1 1 A 29 29 THR CB C 29 68.192 68.505 -0.313 1
1 256 . 13 1 1 A 29 29 THR C C 29 177.331 176.230 1.101 1
1 257 . 13 1 1 A 30 30 GLN N N 30 120.065 121.255 -1.190 1
1 258 . 13 1 1 A 30 30 GLN H H 30 7.587 8.292 -0.705 1
1 259 . 13 1 1 A 30 30 GLN CA C 30 58.742 58.505 0.237 1
1 260 . 13 1 1 A 30 30 GLN HA H 30 3.938 3.936 0.002 1
1 261 . 13 1 1 A 30 30 GLN CB C 30 28.472 28.377 0.095 1
1 270 . 13 1 1 A 30 30 GLN C C 30 178.472 178.140 0.332 1
1 271 . 13 1 1 A 31 31 HIS N N 31 119.314 119.421 -0.107 1
1 272 . 13 1 1 A 31 31 HIS H H 31 7.556 7.900 -0.344 1
1 273 . 13 1 1 A 31 31 HIS CA C 31 58.950 59.806 -0.856 1
1 274 . 13 1 1 A 31 31 HIS HA H 31 4.200 4.183 0.017 1
1 275 . 13 1 1 A 31 31 HIS CB C 31 28.343 29.491 -1.148 1
1 282 . 13 1 1 A 31 31 HIS C C 31 176.128 176.609 -0.481 1
1 283 . 13 1 1 A 32 32 GLN N N 32 115.215 116.952 -1.737 1
1 284 . 13 1 1 A 32 32 GLN H H 32 8.232 8.527 -0.295 1
1 285 . 13 1 1 A 32 32 GLN CA C 32 59.474 59.096 0.378 1
1 286 . 13 1 1 A 32 32 GLN HA H 32 3.602 3.760 -0.158 1
1 287 . 13 1 1 A 32 32 GLN CB C 32 28.296 28.275 0.021 1
1 296 . 13 1 1 A 32 32 GLN C C 32 177.517 178.435 -0.918 1
1 297 . 13 1 1 A 33 33 ARG N N 33 118.018 120.116 -2.098 1
1 298 . 13 1 1 A 33 33 ARG H H 33 7.107 7.670 -0.563 1
1 299 . 13 1 1 A 33 33 ARG CA C 33 58.590 59.209 -0.619 1
1 300 . 13 1 1 A 33 33 ARG HA H 33 4.093 3.883 0.210 1
1 301 . 13 1 1 A 33 33 ARG CB C 33 30.049 29.736 0.313 1
1 310 . 13 1 1 A 33 33 ARG C C 33 178.675 178.510 0.165 1
1 311 . 13 1 1 A 34 34 VAL N N 34 116.143 117.109 -0.966 1
1 312 . 13 1 1 A 34 34 VAL H H 34 7.914 7.829 0.085 1
1 313 . 13 1 1 A 34 34 VAL CA C 34 64.036 65.148 -1.112 1
1 314 . 13 1 1 A 34 34 VAL HA H 34 3.908 3.727 0.181 1
1 315 . 13 1 1 A 34 34 VAL CB C 34 31.098 30.866 0.232 1
1 325 . 13 1 1 A 34 34 VAL C C 34 177.283 176.052 1.231 1
1 326 . 13 1 1 A 35 35 HIS N N 35 116.733 120.570 -3.837 1
1 327 . 13 1 1 A 35 35 HIS H H 35 7.116 7.865 -0.749 1
1 328 . 13 1 1 A 35 35 HIS CA C 35 54.703 54.702 0.001 1
1 329 . 13 1 1 A 35 35 HIS HA H 35 4.904 4.741 0.163 1
1 330 . 13 1 1 A 35 35 HIS CB C 35 28.407 27.936 0.471 1
1 337 . 13 1 1 A 35 35 HIS C C 35 175.439 173.750 1.689 1
1 338 . 13 1 1 A 36 36 SER N N 36 114.877 120.656 -5.779 1
1 339 . 13 1 1 A 36 36 SER H H 36 7.726 8.914 -1.188 1
1 340 . 13 1 1 A 36 36 SER CA C 36 59.166 56.403 2.763 1
1 341 . 13 1 1 A 36 36 SER HA H 36 4.425 5.245 -0.820 1
1 342 . 13 1 1 A 36 36 SER CB C 36 63.898 65.007 -1.109 1
1 345 . 13 1 1 A 36 36 SER C C 36 175.093 173.573 1.520 1
1 346 . 13 1 1 A 37 37 GLY N N 37 110.867 114.087 -3.220 1
1 347 . 13 1 1 A 37 37 GLY H H 37 8.365 9.029 -0.664 1
1 348 . 13 1 1 A 37 37 GLY CA C 37 45.313 44.976 0.337 1
1 349 . 13 1 1 A 37 37 GLY HA2 H 37 3.980 4.198 -0.218 1
1 350 . 13 1 1 A 37 37 GLY HA3 H 37 3.980 4.199 -0.219 1
1 351 . 13 1 1 A 37 37 GLY C C 37 174.083 172.460 1.623 1
1 352 . 13 1 1 A 38 38 GLU N N 38 120.469 125.321 -4.852 1
1 353 . 13 1 1 A 38 38 GLU H H 38 8.039 8.992 -0.953 1
1 354 . 13 1 1 A 38 38 GLU CA C 38 56.391 54.828 1.563 1
1 355 . 13 1 1 A 38 38 GLU HA H 38 4.249 5.125 -0.876 1
1 356 . 13 1 1 A 38 38 GLU CB C 38 30.526 34.176 -3.650 1
1 362 . 13 1 1 A 38 38 GLU C C 38 176.248 174.934 1.314 1
1 363 . 13 1 1 A 39 39 LYS N N 39 123.743 119.615 4.128 1
1 364 . 13 1 1 A 39 39 LYS H H 39 8.418 8.797 -0.379 1
1 365 . 13 1 1 A 39 39 LYS CA C 39 54.112 54.715 -0.603 1
1 366 . 13 1 1 A 39 39 LYS HA H 39 4.600 4.937 -0.337 1
1 367 . 13 1 1 A 39 39 LYS CB C 39 32.515 35.287 -2.772 1
1 379 . 13 1 1 A 39 39 LYS C C 39 174.467 174.184 0.283 1
1 380 . 13 1 1 A 40 40 PRO CA C 40 63.226 62.239 0.987 1
1 381 . 13 1 1 A 40 40 PRO HA H 40 4.454 4.628 -0.174 1
1 382 . 13 1 1 A 40 40 PRO CB C 40 32.184 33.203 -1.019 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.434 44.350 1.084 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.025 4.189 -0.164 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.025 4.190 -0.165 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.512 172.501 2.011 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.809 115.090 -2.281 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.155 8.223 -0.068 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.803 60.977 0.826 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.362 5.044 -0.682 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.812 71.275 -1.463 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.229 173.950 1.279 1
1 16 . 14 1 1 A 9 9 GLY N N 9 111.010 112.121 -1.111 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.454 8.251 0.203 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.274 45.600 -0.326 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 3.960 4.212 -0.252 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.901 4.219 -0.318 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.065 172.382 1.683 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.229 124.685 -4.456 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.235 9.128 -0.893 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.899 55.663 1.236 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.175 4.918 -0.743 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.419 32.686 -2.267 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.478 174.778 1.700 1
1 33 . 14 1 1 A 11 11 LYS N N 11 121.796 125.807 -4.011 1
1 34 . 14 1 1 A 11 11 LYS H H 11 8.316 8.760 -0.444 1
1 35 . 14 1 1 A 11 11 LYS CA C 11 53.820 53.318 0.502 1
1 36 . 14 1 1 A 11 11 LYS HA H 11 4.478 4.846 -0.368 1
1 37 . 14 1 1 A 11 11 LYS CB C 11 33.093 33.589 -0.496 1
1 49 . 14 1 1 A 11 11 LYS C C 11 173.770 176.343 -2.573 1
1 50 . 14 1 1 A 12 12 PRO CA C 12 63.394 63.724 -0.330 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.276 4.393 -0.117 1
1 52 . 14 1 1 A 12 12 PRO CB C 12 32.241 31.189 1.052 1
1 61 . 14 1 1 A 12 12 PRO C C 12 176.311 175.484 0.827 1
1 62 . 14 1 1 A 13 13 TYR N N 13 118.293 119.452 -1.159 1
1 63 . 14 1 1 A 13 13 TYR H H 13 7.943 7.508 0.435 1
1 64 . 14 1 1 A 13 13 TYR CA C 13 57.354 56.916 0.438 1
1 65 . 14 1 1 A 13 13 TYR HA H 13 4.622 5.377 -0.755 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.729 41.952 -3.223 1
1 77 . 14 1 1 A 13 13 TYR C C 13 174.554 174.774 -0.220 1
1 78 . 14 1 1 A 14 14 GLU N N 14 123.940 122.018 1.922 1
1 79 . 14 1 1 A 14 14 GLU H H 14 8.632 8.861 -0.229 1
1 80 . 14 1 1 A 14 14 GLU CA C 14 54.907 56.275 -1.368 1
1 81 . 14 1 1 A 14 14 GLU HA H 14 4.961 5.216 -0.255 1
1 82 . 14 1 1 A 14 14 GLU CB C 14 33.273 34.029 -0.756 1
1 88 . 14 1 1 A 14 14 GLU C C 14 175.188 174.636 0.552 1
1 89 . 14 1 1 A 15 15 CYS N N 15 126.724 124.464 2.260 1
1 90 . 14 1 1 A 15 15 CYS H H 15 9.106 8.892 0.214 1
1 91 . 14 1 1 A 15 15 CYS CA C 15 59.792 59.054 0.738 1
1 92 . 14 1 1 A 15 15 CYS HA H 15 4.470 4.644 -0.174 1
1 93 . 14 1 1 A 15 15 CYS CB C 15 29.830 28.373 1.457 1
1 96 . 14 1 1 A 15 15 CYS C C 15 176.556 175.774 0.782 1
1 97 . 14 1 1 A 16 16 ASP N N 16 130.840 129.005 1.835 1
1 98 . 14 1 1 A 16 16 ASP H H 16 9.184 9.282 -0.098 1
1 99 . 14 1 1 A 16 16 ASP CA C 16 56.098 53.812 2.286 1
1 100 . 14 1 1 A 16 16 ASP HA H 16 4.423 4.871 -0.448 1
1 101 . 14 1 1 A 16 16 ASP CB C 16 40.221 40.903 -0.682 1
1 104 . 14 1 1 A 16 16 ASP C C 16 175.891 177.098 -1.207 1
1 105 . 14 1 1 A 17 17 VAL N N 17 121.778 118.257 3.521 1
1 106 . 14 1 1 A 17 17 VAL H H 17 8.715 7.867 0.848 1
1 107 . 14 1 1 A 17 17 VAL CA C 17 65.079 63.900 1.179 1
1 108 . 14 1 1 A 17 17 VAL HA H 17 3.802 4.120 -0.318 1
1 109 . 14 1 1 A 17 17 VAL CB C 17 33.070 33.742 -0.672 1
1 119 . 14 1 1 A 17 17 VAL C C 17 177.159 177.454 -0.295 1
1 120 . 14 1 1 A 18 18 CYS N N 18 116.273 115.640 0.633 1
1 121 . 14 1 1 A 18 18 CYS H H 18 8.033 8.024 0.009 1
1 122 . 14 1 1 A 18 18 CYS CA C 18 58.364 58.200 0.164 1
1 123 . 14 1 1 A 18 18 CYS HA H 18 5.063 4.470 0.593 1
1 124 . 14 1 1 A 18 18 CYS CB C 18 32.219 28.705 3.514 1
1 127 . 14 1 1 A 18 18 CYS C C 18 175.604 174.374 1.230 1
1 128 . 14 1 1 A 19 19 ARG N N 19 116.989 116.904 0.085 1
1 129 . 14 1 1 A 19 19 ARG H H 19 8.006 7.811 0.195 1
1 130 . 14 1 1 A 19 19 ARG CA C 19 57.775 57.001 0.774 1
1 131 . 14 1 1 A 19 19 ARG HA H 19 4.185 4.246 -0.061 1
1 132 . 14 1 1 A 19 19 ARG CB C 19 26.272 27.240 -0.968 1
1 141 . 14 1 1 A 19 19 ARG C C 19 175.142 174.297 0.845 1
1 142 . 14 1 1 A 20 20 LYS N N 20 122.150 118.757 3.393 1
1 143 . 14 1 1 A 20 20 LYS H H 20 7.911 7.799 0.112 1
1 144 . 14 1 1 A 20 20 LYS CA C 20 58.232 55.602 2.630 1
1 145 . 14 1 1 A 20 20 LYS HA H 20 4.015 4.619 -0.604 1
1 146 . 14 1 1 A 20 20 LYS CB C 20 33.817 34.182 -0.365 1
1 158 . 14 1 1 A 20 20 LYS C C 20 174.015 174.962 -0.947 1
1 159 . 14 1 1 A 21 21 ALA N N 21 124.525 128.519 -3.994 1
1 160 . 14 1 1 A 21 21 ALA H H 21 7.843 8.659 -0.816 1
1 161 . 14 1 1 A 21 21 ALA CA C 21 50.504 50.075 0.429 1
1 162 . 14 1 1 A 21 21 ALA HA H 21 5.133 5.425 -0.292 1
1 163 . 14 1 1 A 21 21 ALA CB C 21 22.105 21.940 0.165 1
1 167 . 14 1 1 A 21 21 ALA C C 21 176.441 176.007 0.434 1
1 168 . 14 1 1 A 22 22 PHE N N 22 116.906 118.703 -1.797 1
1 169 . 14 1 1 A 22 22 PHE H H 22 8.731 8.800 -0.069 1
1 170 . 14 1 1 A 22 22 PHE CA C 22 57.273 56.695 0.578 1
1 171 . 14 1 1 A 22 22 PHE HA H 22 4.709 5.119 -0.410 1
1 172 . 14 1 1 A 22 22 PHE CB C 22 43.819 44.101 -0.282 1
1 185 . 14 1 1 A 22 22 PHE C C 22 175.611 175.632 -0.021 1
1 186 . 14 1 1 A 23 23 SER CA C 23 60.514 60.743 -0.229 1
1 187 . 14 1 1 A 23 23 SER HA H 23 4.552 4.627 -0.075 1
1 188 . 14 1 1 A 23 23 SER CB C 23 63.982 63.750 0.232 1
1 191 . 14 1 1 A 23 23 SER C C 23 173.478 174.510 -1.032 1
1 192 . 14 1 1 A 24 24 HIS N N 24 116.869 119.058 -2.189 1
1 193 . 14 1 1 A 24 24 HIS H H 24 7.472 8.135 -0.663 1
1 194 . 14 1 1 A 24 24 HIS CA C 24 55.417 54.839 0.578 1
1 195 . 14 1 1 A 24 24 HIS HA H 24 4.878 4.681 0.197 1
1 196 . 14 1 1 A 24 24 HIS CB C 24 33.557 31.331 2.226 1
1 203 . 14 1 1 A 24 24 HIS C C 24 175.289 175.615 -0.326 1
1 204 . 14 1 1 A 25 25 HIS CA C 25 60.380 58.516 1.864 1
1 205 . 14 1 1 A 25 25 HIS HA H 25 3.237 3.389 -0.152 1
1 206 . 14 1 1 A 25 25 HIS CB C 25 30.379 28.729 1.650 1
1 213 . 14 1 1 A 26 26 ALA CA C 26 54.987 54.876 0.111 1
1 214 . 14 1 1 A 26 26 ALA HA H 26 4.047 3.454 0.593 1
1 215 . 14 1 1 A 26 26 ALA CB C 26 17.884 18.160 -0.276 1
1 219 . 14 1 1 A 26 26 ALA C C 26 180.284 179.545 0.739 1
1 220 . 14 1 1 A 27 27 SER N N 27 112.465 112.860 -0.395 1
1 221 . 14 1 1 A 27 27 SER H H 27 7.065 7.960 -0.895 1
1 222 . 14 1 1 A 27 27 SER CA C 27 60.698 61.357 -0.659 1
1 223 . 14 1 1 A 27 27 SER HA H 27 4.166 4.000 0.166 1
1 224 . 14 1 1 A 27 27 SER CB C 27 62.410 62.124 0.286 1
1 227 . 14 1 1 A 27 27 SER C C 27 176.636 176.396 0.240 1
1 228 . 14 1 1 A 28 28 LEU N N 28 124.235 122.724 1.511 1
1 229 . 14 1 1 A 28 28 LEU H H 28 7.071 7.474 -0.403 1
1 230 . 14 1 1 A 28 28 LEU CA C 28 58.002 57.505 0.497 1
1 231 . 14 1 1 A 28 28 LEU HA H 28 3.173 3.251 -0.078 1
1 232 . 14 1 1 A 28 28 LEU CB C 28 40.109 41.372 -1.263 1
1 245 . 14 1 1 A 28 28 LEU C C 28 177.670 178.519 -0.849 1
1 246 . 14 1 1 A 29 29 THR N N 29 114.830 114.762 0.068 1
1 247 . 14 1 1 A 29 29 THR H H 29 8.211 8.331 -0.120 1
1 248 . 14 1 1 A 29 29 THR CA C 29 66.228 66.730 -0.502 1
1 249 . 14 1 1 A 29 29 THR HA H 29 3.893 3.783 0.110 1
1 250 . 14 1 1 A 29 29 THR CB C 29 68.192 68.658 -0.466 1
1 256 . 14 1 1 A 29 29 THR C C 29 177.331 176.072 1.259 1
1 257 . 14 1 1 A 30 30 GLN N N 30 120.065 119.622 0.443 1
1 258 . 14 1 1 A 30 30 GLN H H 30 7.587 8.131 -0.544 1
1 259 . 14 1 1 A 30 30 GLN CA C 30 58.742 58.721 0.021 1
1 260 . 14 1 1 A 30 30 GLN HA H 30 3.938 4.033 -0.095 1
1 261 . 14 1 1 A 30 30 GLN CB C 30 28.472 28.281 0.191 1
1 270 . 14 1 1 A 30 30 GLN C C 30 178.472 177.610 0.862 1
1 271 . 14 1 1 A 31 31 HIS N N 31 119.314 120.922 -1.608 1
1 272 . 14 1 1 A 31 31 HIS H H 31 7.556 8.042 -0.486 1
1 273 . 14 1 1 A 31 31 HIS CA C 31 58.950 59.654 -0.704 1
1 274 . 14 1 1 A 31 31 HIS HA H 31 4.200 4.177 0.023 1
1 275 . 14 1 1 A 31 31 HIS CB C 31 28.343 29.848 -1.505 1
1 282 . 14 1 1 A 31 31 HIS C C 31 176.128 176.494 -0.366 1
1 283 . 14 1 1 A 32 32 GLN N N 32 115.215 117.238 -2.023 1
1 284 . 14 1 1 A 32 32 GLN H H 32 8.232 8.336 -0.104 1
1 285 . 14 1 1 A 32 32 GLN CA C 32 59.474 59.253 0.221 1
1 286 . 14 1 1 A 32 32 GLN HA H 32 3.602 3.800 -0.198 1
1 287 . 14 1 1 A 32 32 GLN CB C 32 28.296 28.283 0.013 1
1 296 . 14 1 1 A 32 32 GLN C C 32 177.517 178.537 -1.020 1
1 297 . 14 1 1 A 33 33 ARG N N 33 118.018 119.971 -1.953 1
1 298 . 14 1 1 A 33 33 ARG H H 33 7.107 8.046 -0.939 1
1 299 . 14 1 1 A 33 33 ARG CA C 33 58.590 58.985 -0.395 1
1 300 . 14 1 1 A 33 33 ARG HA H 33 4.093 3.893 0.200 1
1 301 . 14 1 1 A 33 33 ARG CB C 33 30.049 30.065 -0.016 1
1 310 . 14 1 1 A 33 33 ARG C C 33 178.675 178.206 0.469 1
1 311 . 14 1 1 A 34 34 VAL N N 34 116.143 117.382 -1.239 1
1 312 . 14 1 1 A 34 34 VAL H H 34 7.914 8.035 -0.121 1
1 313 . 14 1 1 A 34 34 VAL CA C 34 64.036 65.568 -1.532 1
1 314 . 14 1 1 A 34 34 VAL HA H 34 3.908 3.683 0.225 1
1 315 . 14 1 1 A 34 34 VAL CB C 34 31.098 30.834 0.264 1
1 325 . 14 1 1 A 34 34 VAL C C 34 177.283 176.737 0.546 1
1 326 . 14 1 1 A 35 35 HIS N N 35 116.733 120.694 -3.961 1
1 327 . 14 1 1 A 35 35 HIS H H 35 7.116 7.488 -0.372 1
1 328 . 14 1 1 A 35 35 HIS CA C 35 54.703 56.643 -1.940 1
1 329 . 14 1 1 A 35 35 HIS HA H 35 4.904 4.609 0.295 1
1 330 . 14 1 1 A 35 35 HIS CB C 35 28.407 30.551 -2.144 1
1 337 . 14 1 1 A 35 35 HIS C C 35 175.439 174.733 0.706 1
1 338 . 14 1 1 A 36 36 SER N N 36 114.877 115.351 -0.474 1
1 339 . 14 1 1 A 36 36 SER H H 36 7.726 8.481 -0.755 1
1 340 . 14 1 1 A 36 36 SER CA C 36 59.166 56.039 3.127 1
1 341 . 14 1 1 A 36 36 SER HA H 36 4.425 5.023 -0.598 1
1 342 . 14 1 1 A 36 36 SER CB C 36 63.898 65.494 -1.596 1
1 345 . 14 1 1 A 36 36 SER C C 36 175.093 175.170 -0.077 1
1 346 . 14 1 1 A 37 37 GLY N N 37 110.867 113.920 -3.053 1
1 347 . 14 1 1 A 37 37 GLY H H 37 8.365 8.806 -0.441 1
1 348 . 14 1 1 A 37 37 GLY CA C 37 45.313 47.231 -1.918 1
1 349 . 14 1 1 A 37 37 GLY HA2 H 37 3.980 3.845 0.135 1
1 350 . 14 1 1 A 37 37 GLY HA3 H 37 3.980 3.847 0.133 1
1 351 . 14 1 1 A 37 37 GLY C C 37 174.083 174.222 -0.139 1
1 352 . 14 1 1 A 38 38 GLU N N 38 120.469 118.533 1.936 1
1 353 . 14 1 1 A 38 38 GLU H H 38 8.039 7.710 0.329 1
1 354 . 14 1 1 A 38 38 GLU CA C 38 56.391 54.987 1.404 1
1 355 . 14 1 1 A 38 38 GLU HA H 38 4.249 4.878 -0.629 1
1 356 . 14 1 1 A 38 38 GLU CB C 38 30.526 32.861 -2.335 1
1 362 . 14 1 1 A 38 38 GLU C C 38 176.248 174.815 1.433 1
1 363 . 14 1 1 A 39 39 LYS N N 39 123.743 124.498 -0.755 1
1 364 . 14 1 1 A 39 39 LYS H H 39 8.418 8.892 -0.474 1
1 365 . 14 1 1 A 39 39 LYS CA C 39 54.112 52.943 1.169 1
1 366 . 14 1 1 A 39 39 LYS HA H 39 4.600 4.841 -0.241 1
1 367 . 14 1 1 A 39 39 LYS CB C 39 32.515 35.864 -3.349 1
1 379 . 14 1 1 A 39 39 LYS C C 39 174.467 174.493 -0.026 1
1 380 . 14 1 1 A 40 40 PRO CA C 40 63.226 62.280 0.946 1
1 381 . 14 1 1 A 40 40 PRO HA H 40 4.454 4.722 -0.268 1
1 382 . 14 1 1 A 40 40 PRO CB C 40 32.184 29.433 2.751 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.434 44.635 0.799 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.025 4.338 -0.313 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.025 4.340 -0.315 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.512 172.325 2.187 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.809 114.570 -1.761 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.155 8.656 -0.501 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.803 59.443 2.360 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.362 4.928 -0.566 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.812 71.551 -1.739 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.229 174.300 0.929 1
1 16 . 15 1 1 A 9 9 GLY N N 9 111.010 113.119 -2.109 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.454 8.726 -0.272 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.274 46.381 -1.107 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 3.960 3.837 0.123 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.901 3.837 0.064 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.065 174.412 -0.347 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.229 120.233 -0.004 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.235 7.729 0.506 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.899 55.278 1.621 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.175 4.685 -0.510 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.419 29.778 0.641 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.478 174.570 1.908 1
1 33 . 15 1 1 A 11 11 LYS N N 11 121.796 122.300 -0.504 1
1 34 . 15 1 1 A 11 11 LYS H H 11 8.316 8.189 0.127 1
1 35 . 15 1 1 A 11 11 LYS CA C 11 53.820 53.855 -0.035 1
1 36 . 15 1 1 A 11 11 LYS HA H 11 4.478 5.042 -0.564 1
1 37 . 15 1 1 A 11 11 LYS CB C 11 33.093 35.421 -2.328 1
1 49 . 15 1 1 A 11 11 LYS C C 11 173.770 175.879 -2.109 1
1 50 . 15 1 1 A 12 12 PRO CA C 12 63.394 63.931 -0.537 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.276 4.436 -0.160 1
1 52 . 15 1 1 A 12 12 PRO CB C 12 32.241 31.413 0.828 1
1 61 . 15 1 1 A 12 12 PRO C C 12 176.311 175.678 0.633 1
1 62 . 15 1 1 A 13 13 TYR N N 13 118.293 119.142 -0.849 1
1 63 . 15 1 1 A 13 13 TYR H H 13 7.943 7.564 0.379 1
1 64 . 15 1 1 A 13 13 TYR CA C 13 57.354 56.972 0.382 1
1 65 . 15 1 1 A 13 13 TYR HA H 13 4.622 5.123 -0.501 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.729 39.654 -0.925 1
1 77 . 15 1 1 A 13 13 TYR C C 13 174.554 175.246 -0.692 1
1 78 . 15 1 1 A 14 14 GLU N N 14 123.940 122.609 1.331 1
1 79 . 15 1 1 A 14 14 GLU H H 14 8.632 8.631 0.001 1
1 80 . 15 1 1 A 14 14 GLU CA C 14 54.907 54.809 0.098 1
1 81 . 15 1 1 A 14 14 GLU HA H 14 4.961 5.307 -0.346 1
1 82 . 15 1 1 A 14 14 GLU CB C 14 33.273 34.162 -0.889 1
1 88 . 15 1 1 A 14 14 GLU C C 14 175.188 174.441 0.747 1
1 89 . 15 1 1 A 15 15 CYS N N 15 126.724 121.219 5.505 1
1 90 . 15 1 1 A 15 15 CYS H H 15 9.106 8.843 0.263 1
1 91 . 15 1 1 A 15 15 CYS CA C 15 59.792 57.673 2.119 1
1 92 . 15 1 1 A 15 15 CYS HA H 15 4.470 5.089 -0.619 1
1 93 . 15 1 1 A 15 15 CYS CB C 15 29.830 30.096 -0.266 1
1 96 . 15 1 1 A 15 15 CYS C C 15 176.556 175.138 1.418 1
1 97 . 15 1 1 A 16 16 ASP N N 16 130.840 126.232 4.608 1
1 98 . 15 1 1 A 16 16 ASP H H 16 9.184 8.937 0.247 1
1 99 . 15 1 1 A 16 16 ASP CA C 16 56.098 53.718 2.380 1
1 100 . 15 1 1 A 16 16 ASP HA H 16 4.423 4.837 -0.414 1
1 101 . 15 1 1 A 16 16 ASP CB C 16 40.221 41.125 -0.904 1
1 104 . 15 1 1 A 16 16 ASP C C 16 175.891 177.117 -1.226 1
1 105 . 15 1 1 A 17 17 VAL N N 17 121.778 118.361 3.417 1
1 106 . 15 1 1 A 17 17 VAL H H 17 8.715 8.044 0.671 1
1 107 . 15 1 1 A 17 17 VAL CA C 17 65.079 63.546 1.533 1
1 108 . 15 1 1 A 17 17 VAL HA H 17 3.802 4.143 -0.341 1
1 109 . 15 1 1 A 17 17 VAL CB C 17 33.070 33.297 -0.227 1
1 119 . 15 1 1 A 17 17 VAL C C 17 177.159 177.194 -0.035 1
1 120 . 15 1 1 A 18 18 CYS N N 18 116.273 115.287 0.986 1
1 121 . 15 1 1 A 18 18 CYS H H 18 8.033 7.957 0.076 1
1 122 . 15 1 1 A 18 18 CYS CA C 18 58.364 58.389 -0.025 1
1 123 . 15 1 1 A 18 18 CYS HA H 18 5.063 4.414 0.649 1
1 124 . 15 1 1 A 18 18 CYS CB C 18 32.219 27.357 4.862 1
1 127 . 15 1 1 A 18 18 CYS C C 18 175.604 174.201 1.403 1
1 128 . 15 1 1 A 19 19 ARG N N 19 116.989 116.355 0.634 1
1 129 . 15 1 1 A 19 19 ARG H H 19 8.006 7.913 0.093 1
1 130 . 15 1 1 A 19 19 ARG CA C 19 57.775 56.977 0.798 1
1 131 . 15 1 1 A 19 19 ARG HA H 19 4.185 4.266 -0.081 1
1 132 . 15 1 1 A 19 19 ARG CB C 19 26.272 27.289 -1.017 1
1 141 . 15 1 1 A 19 19 ARG C C 19 175.142 174.581 0.561 1
1 142 . 15 1 1 A 20 20 LYS N N 20 122.150 119.697 2.453 1
1 143 . 15 1 1 A 20 20 LYS H H 20 7.911 7.900 0.011 1
1 144 . 15 1 1 A 20 20 LYS CA C 20 58.232 56.257 1.975 1
1 145 . 15 1 1 A 20 20 LYS HA H 20 4.015 4.328 -0.313 1
1 146 . 15 1 1 A 20 20 LYS CB C 20 33.817 33.081 0.736 1
1 158 . 15 1 1 A 20 20 LYS C C 20 174.015 175.650 -1.635 1
1 159 . 15 1 1 A 21 21 ALA N N 21 124.525 128.740 -4.215 1
1 160 . 15 1 1 A 21 21 ALA H H 21 7.843 8.505 -0.662 1
1 161 . 15 1 1 A 21 21 ALA CA C 21 50.504 50.715 -0.211 1
1 162 . 15 1 1 A 21 21 ALA HA H 21 5.133 5.670 -0.537 1
1 163 . 15 1 1 A 21 21 ALA CB C 21 22.105 21.023 1.082 1
1 167 . 15 1 1 A 21 21 ALA C C 21 176.441 176.445 -0.004 1
1 168 . 15 1 1 A 22 22 PHE N N 22 116.906 119.704 -2.798 1
1 169 . 15 1 1 A 22 22 PHE H H 22 8.731 8.448 0.283 1
1 170 . 15 1 1 A 22 22 PHE CA C 22 57.273 56.699 0.574 1
1 171 . 15 1 1 A 22 22 PHE HA H 22 4.709 4.921 -0.212 1
1 172 . 15 1 1 A 22 22 PHE CB C 22 43.819 41.827 1.992 1
1 185 . 15 1 1 A 22 22 PHE C C 22 175.611 175.863 -0.252 1
1 186 . 15 1 1 A 23 23 SER CA C 23 60.514 62.463 -1.949 1
1 187 . 15 1 1 A 23 23 SER HA H 23 4.552 4.211 0.341 1
1 188 . 15 1 1 A 23 23 SER CB C 23 63.982 63.145 0.837 1
1 191 . 15 1 1 A 23 23 SER C C 23 173.478 174.386 -0.908 1
1 192 . 15 1 1 A 24 24 HIS N N 24 116.869 120.142 -3.273 1
1 193 . 15 1 1 A 24 24 HIS H H 24 7.472 7.675 -0.203 1
1 194 . 15 1 1 A 24 24 HIS CA C 24 55.417 54.591 0.826 1
1 195 . 15 1 1 A 24 24 HIS HA H 24 4.878 4.618 0.260 1
1 196 . 15 1 1 A 24 24 HIS CB C 24 33.557 30.312 3.245 1
1 203 . 15 1 1 A 24 24 HIS C C 24 175.289 175.187 0.102 1
1 204 . 15 1 1 A 25 25 HIS CA C 25 60.380 60.548 -0.168 1
1 205 . 15 1 1 A 25 25 HIS HA H 25 3.237 4.062 -0.825 1
1 206 . 15 1 1 A 25 25 HIS CB C 25 30.379 30.454 -0.075 1
1 213 . 15 1 1 A 26 26 ALA CA C 26 54.987 55.365 -0.378 1
1 214 . 15 1 1 A 26 26 ALA HA H 26 4.047 3.905 0.142 1
1 215 . 15 1 1 A 26 26 ALA CB C 26 17.884 18.308 -0.424 1
1 219 . 15 1 1 A 26 26 ALA C C 26 180.284 180.081 0.203 1
1 220 . 15 1 1 A 27 27 SER N N 27 112.465 113.640 -1.175 1
1 221 . 15 1 1 A 27 27 SER H H 27 7.065 8.148 -1.083 1
1 222 . 15 1 1 A 27 27 SER CA C 27 60.698 62.208 -1.510 1
1 223 . 15 1 1 A 27 27 SER HA H 27 4.166 4.049 0.117 1
1 224 . 15 1 1 A 27 27 SER CB C 27 62.410 62.910 -0.500 1
1 227 . 15 1 1 A 27 27 SER C C 27 176.636 175.692 0.944 1
1 228 . 15 1 1 A 28 28 LEU N N 28 124.235 121.376 2.859 1
1 229 . 15 1 1 A 28 28 LEU H H 28 7.071 7.822 -0.751 1
1 230 . 15 1 1 A 28 28 LEU CA C 28 58.002 57.046 0.956 1
1 231 . 15 1 1 A 28 28 LEU HA H 28 3.173 2.399 0.774 1
1 232 . 15 1 1 A 28 28 LEU CB C 28 40.109 41.362 -1.253 1
1 245 . 15 1 1 A 28 28 LEU C C 28 177.670 178.440 -0.770 1
1 246 . 15 1 1 A 29 29 THR N N 29 114.830 114.733 0.097 1
1 247 . 15 1 1 A 29 29 THR H H 29 8.211 8.165 0.046 1
1 248 . 15 1 1 A 29 29 THR CA C 29 66.228 66.391 -0.163 1
1 249 . 15 1 1 A 29 29 THR HA H 29 3.893 3.754 0.139 1
1 250 . 15 1 1 A 29 29 THR CB C 29 68.192 68.469 -0.277 1
1 256 . 15 1 1 A 29 29 THR C C 29 177.331 176.030 1.301 1
1 257 . 15 1 1 A 30 30 GLN N N 30 120.065 121.013 -0.948 1
1 258 . 15 1 1 A 30 30 GLN H H 30 7.587 8.480 -0.893 1
1 259 . 15 1 1 A 30 30 GLN CA C 30 58.742 58.949 -0.207 1
1 260 . 15 1 1 A 30 30 GLN HA H 30 3.938 3.826 0.112 1
1 261 . 15 1 1 A 30 30 GLN CB C 30 28.472 28.237 0.235 1
1 270 . 15 1 1 A 30 30 GLN C C 30 178.472 177.614 0.858 1
1 271 . 15 1 1 A 31 31 HIS N N 31 119.314 119.837 -0.523 1
1 272 . 15 1 1 A 31 31 HIS H H 31 7.556 7.702 -0.146 1
1 273 . 15 1 1 A 31 31 HIS CA C 31 58.950 59.565 -0.615 1
1 274 . 15 1 1 A 31 31 HIS HA H 31 4.200 4.213 -0.013 1
1 275 . 15 1 1 A 31 31 HIS CB C 31 28.343 29.321 -0.978 1
1 282 . 15 1 1 A 31 31 HIS C C 31 176.128 176.472 -0.344 1
1 283 . 15 1 1 A 32 32 GLN N N 32 115.215 117.043 -1.828 1
1 284 . 15 1 1 A 32 32 GLN H H 32 8.232 7.865 0.367 1
1 285 . 15 1 1 A 32 32 GLN CA C 32 59.474 59.121 0.353 1
1 286 . 15 1 1 A 32 32 GLN HA H 32 3.602 3.802 -0.200 1
1 287 . 15 1 1 A 32 32 GLN CB C 32 28.296 28.330 -0.034 1
1 296 . 15 1 1 A 32 32 GLN C C 32 177.517 178.484 -0.967 1
1 297 . 15 1 1 A 33 33 ARG N N 33 118.018 120.154 -2.136 1
1 298 . 15 1 1 A 33 33 ARG H H 33 7.107 7.883 -0.776 1
1 299 . 15 1 1 A 33 33 ARG CA C 33 58.590 59.114 -0.524 1
1 300 . 15 1 1 A 33 33 ARG HA H 33 4.093 3.912 0.181 1
1 301 . 15 1 1 A 33 33 ARG CB C 33 30.049 29.850 0.199 1
1 310 . 15 1 1 A 33 33 ARG C C 33 178.675 178.037 0.638 1
1 311 . 15 1 1 A 34 34 VAL N N 34 116.143 117.139 -0.996 1
1 312 . 15 1 1 A 34 34 VAL H H 34 7.914 7.815 0.099 1
1 313 . 15 1 1 A 34 34 VAL CA C 34 64.036 65.393 -1.357 1
1 314 . 15 1 1 A 34 34 VAL HA H 34 3.908 3.741 0.167 1
1 315 . 15 1 1 A 34 34 VAL CB C 34 31.098 31.009 0.089 1
1 325 . 15 1 1 A 34 34 VAL C C 34 177.283 176.191 1.092 1
1 326 . 15 1 1 A 35 35 HIS N N 35 116.733 119.838 -3.105 1
1 327 . 15 1 1 A 35 35 HIS H H 35 7.116 7.328 -0.212 1
1 328 . 15 1 1 A 35 35 HIS CA C 35 54.703 55.452 -0.749 1
1 329 . 15 1 1 A 35 35 HIS HA H 35 4.904 4.691 0.213 1
1 330 . 15 1 1 A 35 35 HIS CB C 35 28.407 28.777 -0.370 1
1 337 . 15 1 1 A 35 35 HIS C C 35 175.439 176.497 -1.058 1
1 338 . 15 1 1 A 36 36 SER N N 36 114.877 118.880 -4.003 1
1 339 . 15 1 1 A 36 36 SER H H 36 7.726 8.522 -0.796 1
1 340 . 15 1 1 A 36 36 SER CA C 36 59.166 60.030 -0.864 1
1 341 . 15 1 1 A 36 36 SER HA H 36 4.425 4.118 0.307 1
1 342 . 15 1 1 A 36 36 SER CB C 36 63.898 64.086 -0.188 1
1 345 . 15 1 1 A 36 36 SER C C 36 175.093 174.247 0.846 1
1 346 . 15 1 1 A 37 37 GLY N N 37 110.867 108.372 2.495 1
1 347 . 15 1 1 A 37 37 GLY H H 37 8.365 7.708 0.657 1
1 348 . 15 1 1 A 37 37 GLY CA C 37 45.313 43.830 1.483 1
1 349 . 15 1 1 A 37 37 GLY HA2 H 37 3.980 4.106 -0.126 1
1 350 . 15 1 1 A 37 37 GLY HA3 H 37 3.980 4.114 -0.134 1
1 351 . 15 1 1 A 37 37 GLY C C 37 174.083 175.140 -1.057 1
1 352 . 15 1 1 A 38 38 GLU N N 38 120.469 120.427 0.042 1
1 353 . 15 1 1 A 38 38 GLU H H 38 8.039 8.684 -0.645 1
1 354 . 15 1 1 A 38 38 GLU CA C 38 56.391 57.003 -0.612 1
1 355 . 15 1 1 A 38 38 GLU HA H 38 4.249 4.251 -0.002 1
1 356 . 15 1 1 A 38 38 GLU CB C 38 30.526 29.860 0.666 1
1 362 . 15 1 1 A 38 38 GLU C C 38 176.248 176.380 -0.132 1
1 363 . 15 1 1 A 39 39 LYS N N 39 123.743 117.114 6.629 1
1 364 . 15 1 1 A 39 39 LYS H H 39 8.418 7.620 0.798 1
1 365 . 15 1 1 A 39 39 LYS CA C 39 54.112 53.629 0.483 1
1 366 . 15 1 1 A 39 39 LYS HA H 39 4.600 4.889 -0.289 1
1 367 . 15 1 1 A 39 39 LYS CB C 39 32.515 35.173 -2.658 1
1 379 . 15 1 1 A 39 39 LYS C C 39 174.467 173.728 0.739 1
1 380 . 15 1 1 A 40 40 PRO CA C 40 63.226 62.838 0.388 1
1 381 . 15 1 1 A 40 40 PRO HA H 40 4.454 4.724 -0.270 1
1 382 . 15 1 1 A 40 40 PRO CB C 40 32.184 31.562 0.622 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.434 45.077 0.357 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.025 4.032 -0.007 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.025 4.036 -0.011 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.512 174.580 -0.068 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.809 113.461 -0.652 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.155 8.100 0.055 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.803 61.689 0.114 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.362 4.556 -0.194 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.812 69.048 0.764 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.229 174.557 0.672 1
1 16 . 16 1 1 A 9 9 GLY N N 9 111.010 110.016 0.994 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.454 7.678 0.776 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.274 46.549 -1.275 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 3.960 3.942 0.018 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.901 3.948 -0.047 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.065 174.610 -0.545 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.229 123.345 -3.116 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.235 8.220 0.015 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.899 57.264 -0.365 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.175 4.496 -0.321 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.419 31.738 -1.319 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.478 176.482 -0.004 1
1 33 . 16 1 1 A 11 11 LYS N N 11 121.796 120.036 1.760 1
1 34 . 16 1 1 A 11 11 LYS H H 11 8.316 7.479 0.837 1
1 35 . 16 1 1 A 11 11 LYS CA C 11 53.820 53.937 -0.117 1
1 36 . 16 1 1 A 11 11 LYS HA H 11 4.478 4.562 -0.084 1
1 37 . 16 1 1 A 11 11 LYS CB C 11 33.093 32.099 0.994 1
1 49 . 16 1 1 A 11 11 LYS C C 11 173.770 176.318 -2.548 1
1 50 . 16 1 1 A 12 12 PRO CA C 12 63.394 64.059 -0.665 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.276 4.442 -0.166 1
1 52 . 16 1 1 A 12 12 PRO CB C 12 32.241 31.354 0.887 1
1 61 . 16 1 1 A 12 12 PRO C C 12 176.311 175.640 0.671 1
1 62 . 16 1 1 A 13 13 TYR N N 13 118.293 119.305 -1.012 1
1 63 . 16 1 1 A 13 13 TYR H H 13 7.943 7.562 0.381 1
1 64 . 16 1 1 A 13 13 TYR CA C 13 57.354 57.016 0.338 1
1 65 . 16 1 1 A 13 13 TYR HA H 13 4.622 5.177 -0.555 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.729 40.187 -1.458 1
1 77 . 16 1 1 A 13 13 TYR C C 13 174.554 174.471 0.083 1
1 78 . 16 1 1 A 14 14 GLU N N 14 123.940 124.464 -0.524 1
1 79 . 16 1 1 A 14 14 GLU H H 14 8.632 9.114 -0.482 1
1 80 . 16 1 1 A 14 14 GLU CA C 14 54.907 54.828 0.079 1
1 81 . 16 1 1 A 14 14 GLU HA H 14 4.961 5.531 -0.570 1
1 82 . 16 1 1 A 14 14 GLU CB C 14 33.273 33.691 -0.418 1
1 88 . 16 1 1 A 14 14 GLU C C 14 175.188 174.807 0.381 1
1 89 . 16 1 1 A 15 15 CYS N N 15 126.724 123.993 2.731 1
1 90 . 16 1 1 A 15 15 CYS H H 15 9.106 8.813 0.293 1
1 91 . 16 1 1 A 15 15 CYS CA C 15 59.792 59.064 0.728 1
1 92 . 16 1 1 A 15 15 CYS HA H 15 4.470 4.689 -0.219 1
1 93 . 16 1 1 A 15 15 CYS CB C 15 29.830 29.044 0.786 1
1 96 . 16 1 1 A 15 15 CYS C C 15 176.556 175.812 0.744 1
1 97 . 16 1 1 A 16 16 ASP N N 16 130.840 128.752 2.088 1
1 98 . 16 1 1 A 16 16 ASP H H 16 9.184 9.267 -0.083 1
1 99 . 16 1 1 A 16 16 ASP CA C 16 56.098 53.887 2.211 1
1 100 . 16 1 1 A 16 16 ASP HA H 16 4.423 4.826 -0.403 1
1 101 . 16 1 1 A 16 16 ASP CB C 16 40.221 40.971 -0.750 1
1 104 . 16 1 1 A 16 16 ASP C C 16 175.891 177.051 -1.160 1
1 105 . 16 1 1 A 17 17 VAL N N 17 121.778 118.261 3.517 1
1 106 . 16 1 1 A 17 17 VAL H H 17 8.715 7.814 0.901 1
1 107 . 16 1 1 A 17 17 VAL CA C 17 65.079 63.576 1.503 1
1 108 . 16 1 1 A 17 17 VAL HA H 17 3.802 4.083 -0.281 1
1 109 . 16 1 1 A 17 17 VAL CB C 17 33.070 33.664 -0.594 1
1 119 . 16 1 1 A 17 17 VAL C C 17 177.159 177.422 -0.263 1
1 120 . 16 1 1 A 18 18 CYS N N 18 116.273 115.203 1.070 1
1 121 . 16 1 1 A 18 18 CYS H H 18 8.033 7.959 0.074 1
1 122 . 16 1 1 A 18 18 CYS CA C 18 58.364 57.891 0.473 1
1 123 . 16 1 1 A 18 18 CYS HA H 18 5.063 4.615 0.448 1
1 124 . 16 1 1 A 18 18 CYS CB C 18 32.219 27.235 4.984 1
1 127 . 16 1 1 A 18 18 CYS C C 18 175.604 174.432 1.172 1
1 128 . 16 1 1 A 19 19 ARG N N 19 116.989 115.962 1.027 1
1 129 . 16 1 1 A 19 19 ARG H H 19 8.006 7.695 0.311 1
1 130 . 16 1 1 A 19 19 ARG CA C 19 57.775 56.940 0.835 1
1 131 . 16 1 1 A 19 19 ARG HA H 19 4.185 4.289 -0.104 1
1 132 . 16 1 1 A 19 19 ARG CB C 19 26.272 28.134 -1.862 1
1 141 . 16 1 1 A 19 19 ARG C C 19 175.142 174.558 0.584 1
1 142 . 16 1 1 A 20 20 LYS N N 20 122.150 119.340 2.810 1
1 143 . 16 1 1 A 20 20 LYS H H 20 7.911 7.940 -0.029 1
1 144 . 16 1 1 A 20 20 LYS CA C 20 58.232 55.837 2.395 1
1 145 . 16 1 1 A 20 20 LYS HA H 20 4.015 4.491 -0.476 1
1 146 . 16 1 1 A 20 20 LYS CB C 20 33.817 33.493 0.324 1
1 158 . 16 1 1 A 20 20 LYS C C 20 174.015 175.558 -1.543 1
1 159 . 16 1 1 A 21 21 ALA N N 21 124.525 128.594 -4.069 1
1 160 . 16 1 1 A 21 21 ALA H H 21 7.843 8.419 -0.576 1
1 161 . 16 1 1 A 21 21 ALA CA C 21 50.504 51.299 -0.795 1
1 162 . 16 1 1 A 21 21 ALA HA H 21 5.133 5.206 -0.073 1
1 163 . 16 1 1 A 21 21 ALA CB C 21 22.105 20.531 1.574 1
1 167 . 16 1 1 A 21 21 ALA C C 21 176.441 176.570 -0.129 1
1 168 . 16 1 1 A 22 22 PHE N N 22 116.906 118.775 -1.869 1
1 169 . 16 1 1 A 22 22 PHE H H 22 8.731 8.498 0.233 1
1 170 . 16 1 1 A 22 22 PHE CA C 22 57.273 56.779 0.494 1
1 171 . 16 1 1 A 22 22 PHE HA H 22 4.709 5.052 -0.343 1
1 172 . 16 1 1 A 22 22 PHE CB C 22 43.819 43.990 -0.171 1
1 185 . 16 1 1 A 22 22 PHE C C 22 175.611 175.577 0.034 1
1 186 . 16 1 1 A 23 23 SER CA C 23 60.514 59.569 0.945 1
1 187 . 16 1 1 A 23 23 SER HA H 23 4.552 4.548 0.004 1
1 188 . 16 1 1 A 23 23 SER CB C 23 63.982 63.393 0.589 1
1 191 . 16 1 1 A 23 23 SER C C 23 173.478 173.759 -0.281 1
1 192 . 16 1 1 A 24 24 HIS N N 24 116.869 119.222 -2.353 1
1 193 . 16 1 1 A 24 24 HIS H H 24 7.472 8.088 -0.616 1
1 194 . 16 1 1 A 24 24 HIS CA C 24 55.417 54.310 1.107 1
1 195 . 16 1 1 A 24 24 HIS HA H 24 4.878 4.410 0.468 1
1 196 . 16 1 1 A 24 24 HIS CB C 24 33.557 31.558 1.999 1
1 203 . 16 1 1 A 24 24 HIS C C 24 175.289 175.140 0.149 1
1 204 . 16 1 1 A 25 25 HIS CA C 25 60.380 60.008 0.372 1
1 205 . 16 1 1 A 25 25 HIS HA H 25 3.237 3.713 -0.476 1
1 206 . 16 1 1 A 25 25 HIS CB C 25 30.379 30.202 0.177 1
1 213 . 16 1 1 A 26 26 ALA CA C 26 54.987 55.192 -0.205 1
1 214 . 16 1 1 A 26 26 ALA HA H 26 4.047 3.729 0.318 1
1 215 . 16 1 1 A 26 26 ALA CB C 26 17.884 18.316 -0.432 1
1 219 . 16 1 1 A 26 26 ALA C C 26 180.284 179.335 0.949 1
1 220 . 16 1 1 A 27 27 SER N N 27 112.465 113.109 -0.644 1
1 221 . 16 1 1 A 27 27 SER H H 27 7.065 8.233 -1.168 1
1 222 . 16 1 1 A 27 27 SER CA C 27 60.698 61.354 -0.656 1
1 223 . 16 1 1 A 27 27 SER HA H 27 4.166 4.018 0.148 1
1 224 . 16 1 1 A 27 27 SER CB C 27 62.410 63.117 -0.707 1
1 227 . 16 1 1 A 27 27 SER C C 27 176.636 176.459 0.177 1
1 228 . 16 1 1 A 28 28 LEU N N 28 124.235 121.519 2.716 1
1 229 . 16 1 1 A 28 28 LEU H H 28 7.071 7.481 -0.410 1
1 230 . 16 1 1 A 28 28 LEU CA C 28 58.002 57.081 0.921 1
1 231 . 16 1 1 A 28 28 LEU HA H 28 3.173 2.871 0.302 1
1 232 . 16 1 1 A 28 28 LEU CB C 28 40.109 41.242 -1.133 1
1 245 . 16 1 1 A 28 28 LEU C C 28 177.670 178.357 -0.687 1
1 246 . 16 1 1 A 29 29 THR N N 29 114.830 114.487 0.343 1
1 247 . 16 1 1 A 29 29 THR H H 29 8.211 8.224 -0.013 1
1 248 . 16 1 1 A 29 29 THR CA C 29 66.228 66.220 0.008 1
1 249 . 16 1 1 A 29 29 THR HA H 29 3.893 3.619 0.274 1
1 250 . 16 1 1 A 29 29 THR CB C 29 68.192 68.306 -0.114 1
1 256 . 16 1 1 A 29 29 THR C C 29 177.331 176.329 1.002 1
1 257 . 16 1 1 A 30 30 GLN N N 30 120.065 118.380 1.685 1
1 258 . 16 1 1 A 30 30 GLN H H 30 7.587 8.410 -0.823 1
1 259 . 16 1 1 A 30 30 GLN CA C 30 58.742 58.969 -0.227 1
1 260 . 16 1 1 A 30 30 GLN HA H 30 3.938 3.938 0.000 1
1 261 . 16 1 1 A 30 30 GLN CB C 30 28.472 28.161 0.311 1
1 270 . 16 1 1 A 30 30 GLN C C 30 178.472 178.262 0.210 1
1 271 . 16 1 1 A 31 31 HIS N N 31 119.314 120.541 -1.227 1
1 272 . 16 1 1 A 31 31 HIS H H 31 7.556 7.789 -0.233 1
1 273 . 16 1 1 A 31 31 HIS CA C 31 58.950 59.775 -0.825 1
1 274 . 16 1 1 A 31 31 HIS HA H 31 4.200 4.184 0.016 1
1 275 . 16 1 1 A 31 31 HIS CB C 31 28.343 29.784 -1.441 1
1 282 . 16 1 1 A 31 31 HIS C C 31 176.128 176.493 -0.365 1
1 283 . 16 1 1 A 32 32 GLN N N 32 115.215 117.102 -1.887 1
1 284 . 16 1 1 A 32 32 GLN H H 32 8.232 8.233 -0.001 1
1 285 . 16 1 1 A 32 32 GLN CA C 32 59.474 59.130 0.344 1
1 286 . 16 1 1 A 32 32 GLN HA H 32 3.602 3.759 -0.157 1
1 287 . 16 1 1 A 32 32 GLN CB C 32 28.296 28.273 0.023 1
1 296 . 16 1 1 A 32 32 GLN C C 32 177.517 178.530 -1.013 1
1 297 . 16 1 1 A 33 33 ARG N N 33 118.018 119.933 -1.915 1
1 298 . 16 1 1 A 33 33 ARG H H 33 7.107 7.610 -0.503 1
1 299 . 16 1 1 A 33 33 ARG CA C 33 58.590 59.115 -0.525 1
1 300 . 16 1 1 A 33 33 ARG HA H 33 4.093 3.909 0.184 1
1 301 . 16 1 1 A 33 33 ARG CB C 33 30.049 29.850 0.199 1
1 310 . 16 1 1 A 33 33 ARG C C 33 178.675 178.066 0.609 1
1 311 . 16 1 1 A 34 34 VAL N N 34 116.143 116.732 -0.589 1
1 312 . 16 1 1 A 34 34 VAL H H 34 7.914 7.925 -0.011 1
1 313 . 16 1 1 A 34 34 VAL CA C 34 64.036 65.639 -1.603 1
1 314 . 16 1 1 A 34 34 VAL HA H 34 3.908 3.744 0.164 1
1 315 . 16 1 1 A 34 34 VAL CB C 34 31.098 30.922 0.176 1
1 325 . 16 1 1 A 34 34 VAL C C 34 177.283 177.729 -0.446 1
1 326 . 16 1 1 A 35 35 HIS N N 35 116.733 120.485 -3.752 1
1 327 . 16 1 1 A 35 35 HIS H H 35 7.116 7.328 -0.212 1
1 328 . 16 1 1 A 35 35 HIS CA C 35 54.703 59.100 -4.397 1
1 329 . 16 1 1 A 35 35 HIS HA H 35 4.904 4.408 0.496 1
1 330 . 16 1 1 A 35 35 HIS CB C 35 28.407 30.531 -2.124 1
1 337 . 16 1 1 A 35 35 HIS C C 35 175.439 177.470 -2.031 1
1 338 . 16 1 1 A 36 36 SER N N 36 114.877 113.698 1.179 1
1 339 . 16 1 1 A 36 36 SER H H 36 7.726 8.139 -0.413 1
1 340 . 16 1 1 A 36 36 SER CA C 36 59.166 61.355 -2.189 1
1 341 . 16 1 1 A 36 36 SER HA H 36 4.425 4.178 0.247 1
1 342 . 16 1 1 A 36 36 SER CB C 36 63.898 63.388 0.510 1
1 345 . 16 1 1 A 36 36 SER C C 36 175.093 174.586 0.507 1
1 346 . 16 1 1 A 37 37 GLY N N 37 110.867 105.852 5.015 1
1 347 . 16 1 1 A 37 37 GLY H H 37 8.365 7.105 1.260 1
1 348 . 16 1 1 A 37 37 GLY CA C 37 45.313 45.242 0.071 1
1 349 . 16 1 1 A 37 37 GLY HA2 H 37 3.980 4.035 -0.055 1
1 350 . 16 1 1 A 37 37 GLY HA3 H 37 3.980 4.036 -0.056 1
1 351 . 16 1 1 A 37 37 GLY C C 37 174.083 171.784 2.299 1
1 352 . 16 1 1 A 38 38 GLU N N 38 120.469 116.996 3.473 1
1 353 . 16 1 1 A 38 38 GLU H H 38 8.039 8.633 -0.594 1
1 354 . 16 1 1 A 38 38 GLU CA C 38 56.391 54.937 1.454 1
1 355 . 16 1 1 A 38 38 GLU HA H 38 4.249 5.133 -0.884 1
1 356 . 16 1 1 A 38 38 GLU CB C 38 30.526 32.210 -1.684 1
1 362 . 16 1 1 A 38 38 GLU C C 38 176.248 174.922 1.326 1
1 363 . 16 1 1 A 39 39 LYS N N 39 123.743 124.302 -0.559 1
1 364 . 16 1 1 A 39 39 LYS H H 39 8.418 8.525 -0.107 1
1 365 . 16 1 1 A 39 39 LYS CA C 39 54.112 52.972 1.140 1
1 366 . 16 1 1 A 39 39 LYS HA H 39 4.600 4.856 -0.256 1
1 367 . 16 1 1 A 39 39 LYS CB C 39 32.515 35.316 -2.801 1
1 379 . 16 1 1 A 39 39 LYS C C 39 174.467 173.935 0.532 1
1 380 . 16 1 1 A 40 40 PRO CA C 40 63.226 62.836 0.390 1
1 381 . 16 1 1 A 40 40 PRO HA H 40 4.454 4.447 0.007 1
1 382 . 16 1 1 A 40 40 PRO CB C 40 32.184 31.910 0.274 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.434 46.952 -1.518 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.025 3.851 0.174 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.025 3.851 0.174 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.512 173.689 0.823 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.809 113.616 -0.807 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.155 7.763 0.392 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.803 61.157 0.646 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.362 4.605 -0.243 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.812 71.485 -1.673 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.229 174.918 0.311 1
1 16 . 17 1 1 A 9 9 GLY N N 9 111.010 115.041 -4.031 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.454 8.973 -0.519 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.274 47.125 -1.851 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 3.960 3.901 0.059 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.901 3.915 -0.014 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.065 174.567 -0.502 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.229 120.970 -0.741 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.235 7.982 0.253 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.899 56.249 0.650 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.175 4.403 -0.228 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.419 30.868 -0.449 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.478 176.608 -0.130 1
1 33 . 17 1 1 A 11 11 LYS N N 11 121.796 122.883 -1.087 1
1 34 . 17 1 1 A 11 11 LYS H H 11 8.316 8.360 -0.044 1
1 35 . 17 1 1 A 11 11 LYS CA C 11 53.820 53.781 0.039 1
1 36 . 17 1 1 A 11 11 LYS HA H 11 4.478 4.788 -0.310 1
1 37 . 17 1 1 A 11 11 LYS CB C 11 33.093 32.232 0.861 1
1 49 . 17 1 1 A 11 11 LYS C C 11 173.770 176.636 -2.866 1
1 50 . 17 1 1 A 12 12 PRO CA C 12 63.394 63.950 -0.556 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.276 4.401 -0.125 1
1 52 . 17 1 1 A 12 12 PRO CB C 12 32.241 31.304 0.937 1
1 61 . 17 1 1 A 12 12 PRO C C 12 176.311 175.565 0.746 1
1 62 . 17 1 1 A 13 13 TYR N N 13 118.293 119.900 -1.607 1
1 63 . 17 1 1 A 13 13 TYR H H 13 7.943 7.462 0.481 1
1 64 . 17 1 1 A 13 13 TYR CA C 13 57.354 56.824 0.530 1
1 65 . 17 1 1 A 13 13 TYR HA H 13 4.622 5.068 -0.446 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.729 39.640 -0.911 1
1 77 . 17 1 1 A 13 13 TYR C C 13 174.554 174.314 0.240 1
1 78 . 17 1 1 A 14 14 GLU N N 14 123.940 125.232 -1.292 1
1 79 . 17 1 1 A 14 14 GLU H H 14 8.632 9.082 -0.450 1
1 80 . 17 1 1 A 14 14 GLU CA C 14 54.907 54.611 0.296 1
1 81 . 17 1 1 A 14 14 GLU HA H 14 4.961 5.621 -0.660 1
1 82 . 17 1 1 A 14 14 GLU CB C 14 33.273 33.537 -0.264 1
1 88 . 17 1 1 A 14 14 GLU C C 14 175.188 175.092 0.096 1
1 89 . 17 1 1 A 15 15 CYS N N 15 126.724 124.124 2.600 1
1 90 . 17 1 1 A 15 15 CYS H H 15 9.106 8.906 0.200 1
1 91 . 17 1 1 A 15 15 CYS CA C 15 59.792 58.939 0.853 1
1 92 . 17 1 1 A 15 15 CYS HA H 15 4.470 4.629 -0.159 1
1 93 . 17 1 1 A 15 15 CYS CB C 15 29.830 28.874 0.956 1
1 96 . 17 1 1 A 15 15 CYS C C 15 176.556 175.781 0.775 1
1 97 . 17 1 1 A 16 16 ASP N N 16 130.840 128.264 2.576 1
1 98 . 17 1 1 A 16 16 ASP H H 16 9.184 9.262 -0.078 1
1 99 . 17 1 1 A 16 16 ASP CA C 16 56.098 54.575 1.523 1
1 100 . 17 1 1 A 16 16 ASP HA H 16 4.423 4.846 -0.423 1
1 101 . 17 1 1 A 16 16 ASP CB C 16 40.221 40.900 -0.679 1
1 104 . 17 1 1 A 16 16 ASP C C 16 175.891 176.399 -0.508 1
1 105 . 17 1 1 A 17 17 VAL N N 17 121.778 117.267 4.511 1
1 106 . 17 1 1 A 17 17 VAL H H 17 8.715 7.941 0.774 1
1 107 . 17 1 1 A 17 17 VAL CA C 17 65.079 63.597 1.482 1
1 108 . 17 1 1 A 17 17 VAL HA H 17 3.802 4.146 -0.344 1
1 109 . 17 1 1 A 17 17 VAL CB C 17 33.070 33.778 -0.708 1
1 119 . 17 1 1 A 17 17 VAL C C 17 177.159 177.296 -0.137 1
1 120 . 17 1 1 A 18 18 CYS N N 18 116.273 115.672 0.601 1
1 121 . 17 1 1 A 18 18 CYS H H 18 8.033 8.110 -0.077 1
1 122 . 17 1 1 A 18 18 CYS CA C 18 58.364 58.103 0.261 1
1 123 . 17 1 1 A 18 18 CYS HA H 18 5.063 4.491 0.572 1
1 124 . 17 1 1 A 18 18 CYS CB C 18 32.219 29.019 3.200 1
1 127 . 17 1 1 A 18 18 CYS C C 18 175.604 174.569 1.035 1
1 128 . 17 1 1 A 19 19 ARG N N 19 116.989 116.371 0.618 1
1 129 . 17 1 1 A 19 19 ARG H H 19 8.006 7.753 0.253 1
1 130 . 17 1 1 A 19 19 ARG CA C 19 57.775 57.094 0.681 1
1 131 . 17 1 1 A 19 19 ARG HA H 19 4.185 4.251 -0.066 1
1 132 . 17 1 1 A 19 19 ARG CB C 19 26.272 27.171 -0.899 1
1 141 . 17 1 1 A 19 19 ARG C C 19 175.142 174.799 0.343 1
1 142 . 17 1 1 A 20 20 LYS N N 20 122.150 118.167 3.983 1
1 143 . 17 1 1 A 20 20 LYS H H 20 7.911 8.027 -0.116 1
1 144 . 17 1 1 A 20 20 LYS CA C 20 58.232 54.666 3.566 1
1 145 . 17 1 1 A 20 20 LYS HA H 20 4.015 4.532 -0.517 1
1 146 . 17 1 1 A 20 20 LYS CB C 20 33.817 33.953 -0.136 1
1 158 . 17 1 1 A 20 20 LYS C C 20 174.015 175.759 -1.744 1
1 159 . 17 1 1 A 21 21 ALA N N 21 124.525 120.254 4.271 1
1 160 . 17 1 1 A 21 21 ALA H H 21 7.843 8.215 -0.372 1
1 161 . 17 1 1 A 21 21 ALA CA C 21 50.504 50.378 0.126 1
1 162 . 17 1 1 A 21 21 ALA HA H 21 5.133 5.394 -0.261 1
1 163 . 17 1 1 A 21 21 ALA CB C 21 22.105 22.268 -0.163 1
1 167 . 17 1 1 A 21 21 ALA C C 21 176.441 175.187 1.254 1
1 168 . 17 1 1 A 22 22 PHE N N 22 116.906 119.327 -2.421 1
1 169 . 17 1 1 A 22 22 PHE H H 22 8.731 8.661 0.070 1
1 170 . 17 1 1 A 22 22 PHE CA C 22 57.273 56.569 0.704 1
1 171 . 17 1 1 A 22 22 PHE HA H 22 4.709 4.922 -0.213 1
1 172 . 17 1 1 A 22 22 PHE CB C 22 43.819 40.940 2.879 1
1 185 . 17 1 1 A 22 22 PHE C C 22 175.611 175.932 -0.321 1
1 186 . 17 1 1 A 23 23 SER CA C 23 60.514 61.862 -1.348 1
1 187 . 17 1 1 A 23 23 SER HA H 23 4.552 4.256 0.296 1
1 188 . 17 1 1 A 23 23 SER CB C 23 63.982 63.013 0.969 1
1 191 . 17 1 1 A 23 23 SER C C 23 173.478 174.436 -0.958 1
1 192 . 17 1 1 A 24 24 HIS N N 24 116.869 120.022 -3.153 1
1 193 . 17 1 1 A 24 24 HIS H H 24 7.472 8.064 -0.592 1
1 194 . 17 1 1 A 24 24 HIS CA C 24 55.417 55.420 -0.003 1
1 195 . 17 1 1 A 24 24 HIS HA H 24 4.878 4.732 0.146 1
1 196 . 17 1 1 A 24 24 HIS CB C 24 33.557 31.667 1.890 1
1 203 . 17 1 1 A 24 24 HIS C C 24 175.289 174.881 0.408 1
1 204 . 17 1 1 A 25 25 HIS CA C 25 60.380 59.620 0.760 1
1 205 . 17 1 1 A 25 25 HIS HA H 25 3.237 3.276 -0.039 1
1 206 . 17 1 1 A 25 25 HIS CB C 25 30.379 29.687 0.692 1
1 213 . 17 1 1 A 26 26 ALA CA C 26 54.987 55.208 -0.221 1
1 214 . 17 1 1 A 26 26 ALA HA H 26 4.047 3.898 0.149 1
1 215 . 17 1 1 A 26 26 ALA CB C 26 17.884 18.335 -0.451 1
1 219 . 17 1 1 A 26 26 ALA C C 26 180.284 180.058 0.226 1
1 220 . 17 1 1 A 27 27 SER N N 27 112.465 113.563 -1.098 1
1 221 . 17 1 1 A 27 27 SER H H 27 7.065 8.149 -1.084 1
1 222 . 17 1 1 A 27 27 SER CA C 27 60.698 61.912 -1.214 1
1 223 . 17 1 1 A 27 27 SER HA H 27 4.166 4.208 -0.042 1
1 224 . 17 1 1 A 27 27 SER CB C 27 62.410 63.005 -0.595 1
1 227 . 17 1 1 A 27 27 SER C C 27 176.636 175.979 0.657 1
1 228 . 17 1 1 A 28 28 LEU N N 28 124.235 121.900 2.335 1
1 229 . 17 1 1 A 28 28 LEU H H 28 7.071 7.950 -0.879 1
1 230 . 17 1 1 A 28 28 LEU CA C 28 58.002 56.956 1.046 1
1 231 . 17 1 1 A 28 28 LEU HA H 28 3.173 3.096 0.077 1
1 232 . 17 1 1 A 28 28 LEU CB C 28 40.109 41.593 -1.484 1
1 245 . 17 1 1 A 28 28 LEU C C 28 177.670 177.828 -0.158 1
1 246 . 17 1 1 A 29 29 THR N N 29 114.830 113.803 1.027 1
1 247 . 17 1 1 A 29 29 THR H H 29 8.211 7.818 0.393 1
1 248 . 17 1 1 A 29 29 THR CA C 29 66.228 65.267 0.961 1
1 249 . 17 1 1 A 29 29 THR HA H 29 3.893 3.751 0.142 1
1 250 . 17 1 1 A 29 29 THR CB C 29 68.192 68.910 -0.718 1
1 256 . 17 1 1 A 29 29 THR C C 29 177.331 175.767 1.564 1
1 257 . 17 1 1 A 30 30 GLN N N 30 120.065 120.434 -0.369 1
1 258 . 17 1 1 A 30 30 GLN H H 30 7.587 7.636 -0.049 1
1 259 . 17 1 1 A 30 30 GLN CA C 30 58.742 58.103 0.639 1
1 260 . 17 1 1 A 30 30 GLN HA H 30 3.938 4.125 -0.187 1
1 261 . 17 1 1 A 30 30 GLN CB C 30 28.472 29.186 -0.714 1
1 270 . 17 1 1 A 30 30 GLN C C 30 178.472 178.310 0.162 1
1 271 . 17 1 1 A 31 31 HIS N N 31 119.314 119.390 -0.076 1
1 272 . 17 1 1 A 31 31 HIS H H 31 7.556 7.700 -0.144 1
1 273 . 17 1 1 A 31 31 HIS CA C 31 58.950 59.707 -0.757 1
1 274 . 17 1 1 A 31 31 HIS HA H 31 4.200 4.100 0.100 1
1 275 . 17 1 1 A 31 31 HIS CB C 31 28.343 29.677 -1.334 1
1 282 . 17 1 1 A 31 31 HIS C C 31 176.128 176.403 -0.275 1
1 283 . 17 1 1 A 32 32 GLN N N 32 115.215 116.960 -1.745 1
1 284 . 17 1 1 A 32 32 GLN H H 32 8.232 8.126 0.106 1
1 285 . 17 1 1 A 32 32 GLN CA C 32 59.474 59.027 0.447 1
1 286 . 17 1 1 A 32 32 GLN HA H 32 3.602 3.734 -0.132 1
1 287 . 17 1 1 A 32 32 GLN CB C 32 28.296 28.193 0.103 1
1 296 . 17 1 1 A 32 32 GLN C C 32 177.517 178.339 -0.822 1
1 297 . 17 1 1 A 33 33 ARG N N 33 118.018 120.457 -2.439 1
1 298 . 17 1 1 A 33 33 ARG H H 33 7.107 8.164 -1.057 1
1 299 . 17 1 1 A 33 33 ARG CA C 33 58.590 59.110 -0.520 1
1 300 . 17 1 1 A 33 33 ARG HA H 33 4.093 3.917 0.176 1
1 301 . 17 1 1 A 33 33 ARG CB C 33 30.049 29.772 0.277 1
1 310 . 17 1 1 A 33 33 ARG C C 33 178.675 178.555 0.120 1
1 311 . 17 1 1 A 34 34 VAL N N 34 116.143 116.638 -0.495 1
1 312 . 17 1 1 A 34 34 VAL H H 34 7.914 7.962 -0.048 1
1 313 . 17 1 1 A 34 34 VAL CA C 34 64.036 65.150 -1.114 1
1 314 . 17 1 1 A 34 34 VAL HA H 34 3.908 3.741 0.167 1
1 315 . 17 1 1 A 34 34 VAL CB C 34 31.098 31.027 0.071 1
1 325 . 17 1 1 A 34 34 VAL C C 34 177.283 175.867 1.416 1
1 326 . 17 1 1 A 35 35 HIS N N 35 116.733 121.461 -4.728 1
1 327 . 17 1 1 A 35 35 HIS H H 35 7.116 7.710 -0.594 1
1 328 . 17 1 1 A 35 35 HIS CA C 35 54.703 54.577 0.126 1
1 329 . 17 1 1 A 35 35 HIS HA H 35 4.904 4.768 0.136 1
1 330 . 17 1 1 A 35 35 HIS CB C 35 28.407 29.726 -1.319 1
1 337 . 17 1 1 A 35 35 HIS C C 35 175.439 174.138 1.301 1
1 338 . 17 1 1 A 36 36 SER N N 36 114.877 118.498 -3.621 1
1 339 . 17 1 1 A 36 36 SER H H 36 7.726 8.824 -1.098 1
1 340 . 17 1 1 A 36 36 SER CA C 36 59.166 57.014 2.152 1
1 341 . 17 1 1 A 36 36 SER HA H 36 4.425 5.019 -0.594 1
1 342 . 17 1 1 A 36 36 SER CB C 36 63.898 64.236 -0.338 1
1 345 . 17 1 1 A 36 36 SER C C 36 175.093 174.782 0.311 1
1 346 . 17 1 1 A 37 37 GLY N N 37 110.867 110.772 0.095 1
1 347 . 17 1 1 A 37 37 GLY H H 37 8.365 8.750 -0.385 1
1 348 . 17 1 1 A 37 37 GLY CA C 37 45.313 44.391 0.922 1
1 349 . 17 1 1 A 37 37 GLY HA2 H 37 3.980 4.063 -0.083 1
1 350 . 17 1 1 A 37 37 GLY HA3 H 37 3.980 4.065 -0.085 1
1 351 . 17 1 1 A 37 37 GLY C C 37 174.083 175.052 -0.969 1
1 352 . 17 1 1 A 38 38 GLU N N 38 120.469 117.949 2.520 1
1 353 . 17 1 1 A 38 38 GLU H H 38 8.039 8.680 -0.641 1
1 354 . 17 1 1 A 38 38 GLU CA C 38 56.391 56.084 0.307 1
1 355 . 17 1 1 A 38 38 GLU HA H 38 4.249 4.382 -0.133 1
1 356 . 17 1 1 A 38 38 GLU CB C 38 30.526 29.096 1.430 1
1 362 . 17 1 1 A 38 38 GLU C C 38 176.248 175.809 0.439 1
1 363 . 17 1 1 A 39 39 LYS N N 39 123.743 122.214 1.529 1
1 364 . 17 1 1 A 39 39 LYS H H 39 8.418 7.618 0.800 1
1 365 . 17 1 1 A 39 39 LYS CA C 39 54.112 53.329 0.783 1
1 366 . 17 1 1 A 39 39 LYS HA H 39 4.600 4.708 -0.108 1
1 367 . 17 1 1 A 39 39 LYS CB C 39 32.515 34.707 -2.192 1
1 379 . 17 1 1 A 39 39 LYS C C 39 174.467 175.953 -1.486 1
1 380 . 17 1 1 A 40 40 PRO CA C 40 63.226 65.082 -1.856 1
1 381 . 17 1 1 A 40 40 PRO HA H 40 4.454 4.379 0.075 1
1 382 . 17 1 1 A 40 40 PRO CB C 40 32.184 31.998 0.186 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.434 47.338 -1.904 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.025 3.895 0.130 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.025 3.895 0.130 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.512 174.360 0.152 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.809 117.285 -4.476 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.155 8.840 -0.685 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.803 63.396 -1.593 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.362 4.392 -0.030 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.812 70.457 -0.645 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.229 174.666 0.563 1
1 16 . 18 1 1 A 9 9 GLY N N 9 111.010 108.887 2.123 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.454 7.718 0.736 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.274 45.160 0.114 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 3.960 4.049 -0.089 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.901 4.064 -0.163 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.065 174.607 -0.542 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.229 120.646 -0.417 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.235 7.753 0.482 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.899 56.947 -0.048 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.175 4.315 -0.140 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.419 30.310 0.109 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.478 176.188 0.290 1
1 33 . 18 1 1 A 11 11 LYS N N 11 121.796 124.843 -3.047 1
1 34 . 18 1 1 A 11 11 LYS H H 11 8.316 8.295 0.021 1
1 35 . 18 1 1 A 11 11 LYS CA C 11 53.820 53.277 0.543 1
1 36 . 18 1 1 A 11 11 LYS HA H 11 4.478 4.805 -0.327 1
1 37 . 18 1 1 A 11 11 LYS CB C 11 33.093 34.589 -1.496 1
1 49 . 18 1 1 A 11 11 LYS C C 11 173.770 176.305 -2.535 1
1 50 . 18 1 1 A 12 12 PRO CA C 12 63.394 64.068 -0.674 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.276 4.355 -0.079 1
1 52 . 18 1 1 A 12 12 PRO CB C 12 32.241 31.456 0.785 1
1 61 . 18 1 1 A 12 12 PRO C C 12 176.311 175.689 0.622 1
1 62 . 18 1 1 A 13 13 TYR N N 13 118.293 119.107 -0.814 1
1 63 . 18 1 1 A 13 13 TYR H H 13 7.943 7.644 0.299 1
1 64 . 18 1 1 A 13 13 TYR CA C 13 57.354 56.821 0.533 1
1 65 . 18 1 1 A 13 13 TYR HA H 13 4.622 5.032 -0.410 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.729 39.398 -0.669 1
1 77 . 18 1 1 A 13 13 TYR C C 13 174.554 174.317 0.237 1
1 78 . 18 1 1 A 14 14 GLU N N 14 123.940 125.353 -1.413 1
1 79 . 18 1 1 A 14 14 GLU H H 14 8.632 8.979 -0.347 1
1 80 . 18 1 1 A 14 14 GLU CA C 14 54.907 54.886 0.021 1
1 81 . 18 1 1 A 14 14 GLU HA H 14 4.961 5.712 -0.751 1
1 82 . 18 1 1 A 14 14 GLU CB C 14 33.273 33.549 -0.276 1
1 88 . 18 1 1 A 14 14 GLU C C 14 175.188 175.016 0.172 1
1 89 . 18 1 1 A 15 15 CYS N N 15 126.724 125.214 1.510 1
1 90 . 18 1 1 A 15 15 CYS H H 15 9.106 9.292 -0.186 1
1 91 . 18 1 1 A 15 15 CYS CA C 15 59.792 59.149 0.643 1
1 92 . 18 1 1 A 15 15 CYS HA H 15 4.470 4.697 -0.227 1
1 93 . 18 1 1 A 15 15 CYS CB C 15 29.830 28.910 0.920 1
1 96 . 18 1 1 A 15 15 CYS C C 15 176.556 174.451 2.105 1
1 97 . 18 1 1 A 16 16 ASP N N 16 130.840 124.432 6.408 1
1 98 . 18 1 1 A 16 16 ASP H H 16 9.184 8.960 0.224 1
1 99 . 18 1 1 A 16 16 ASP CA C 16 56.098 55.460 0.638 1
1 100 . 18 1 1 A 16 16 ASP HA H 16 4.423 4.841 -0.418 1
1 101 . 18 1 1 A 16 16 ASP CB C 16 40.221 42.102 -1.881 1
1 104 . 18 1 1 A 16 16 ASP C C 16 175.891 178.214 -2.323 1
1 105 . 18 1 1 A 17 17 VAL N N 17 121.778 120.126 1.652 1
1 106 . 18 1 1 A 17 17 VAL H H 17 8.715 7.837 0.878 1
1 107 . 18 1 1 A 17 17 VAL CA C 17 65.079 66.235 -1.156 1
1 108 . 18 1 1 A 17 17 VAL HA H 17 3.802 3.432 0.370 1
1 109 . 18 1 1 A 17 17 VAL CB C 17 33.070 31.237 1.833 1
1 119 . 18 1 1 A 17 17 VAL C C 17 177.159 177.967 -0.808 1
1 120 . 18 1 1 A 18 18 CYS N N 18 116.273 116.902 -0.629 1
1 121 . 18 1 1 A 18 18 CYS H H 18 8.033 7.755 0.278 1
1 122 . 18 1 1 A 18 18 CYS CA C 18 58.364 60.093 -1.729 1
1 123 . 18 1 1 A 18 18 CYS HA H 18 5.063 4.410 0.653 1
1 124 . 18 1 1 A 18 18 CYS CB C 18 32.219 28.839 3.380 1
1 127 . 18 1 1 A 18 18 CYS C C 18 175.604 174.692 0.912 1
1 128 . 18 1 1 A 19 19 ARG N N 19 116.989 116.712 0.277 1
1 129 . 18 1 1 A 19 19 ARG H H 19 8.006 7.931 0.075 1
1 130 . 18 1 1 A 19 19 ARG CA C 19 57.775 57.116 0.659 1
1 131 . 18 1 1 A 19 19 ARG HA H 19 4.185 4.253 -0.068 1
1 132 . 18 1 1 A 19 19 ARG CB C 19 26.272 27.116 -0.844 1
1 141 . 18 1 1 A 19 19 ARG C C 19 175.142 174.334 0.808 1
1 142 . 18 1 1 A 20 20 LYS N N 20 122.150 118.751 3.399 1
1 143 . 18 1 1 A 20 20 LYS H H 20 7.911 7.395 0.516 1
1 144 . 18 1 1 A 20 20 LYS CA C 20 58.232 55.618 2.614 1
1 145 . 18 1 1 A 20 20 LYS HA H 20 4.015 4.707 -0.692 1
1 146 . 18 1 1 A 20 20 LYS CB C 20 33.817 34.147 -0.330 1
1 158 . 18 1 1 A 20 20 LYS C C 20 174.015 175.513 -1.498 1
1 159 . 18 1 1 A 21 21 ALA N N 21 124.525 126.578 -2.053 1
1 160 . 18 1 1 A 21 21 ALA H H 21 7.843 8.392 -0.549 1
1 161 . 18 1 1 A 21 21 ALA CA C 21 50.504 50.213 0.291 1
1 162 . 18 1 1 A 21 21 ALA HA H 21 5.133 5.538 -0.405 1
1 163 . 18 1 1 A 21 21 ALA CB C 21 22.105 22.017 0.088 1
1 167 . 18 1 1 A 21 21 ALA C C 21 176.441 176.231 0.210 1
1 168 . 18 1 1 A 22 22 PHE N N 22 116.906 118.253 -1.347 1
1 169 . 18 1 1 A 22 22 PHE H H 22 8.731 8.552 0.179 1
1 170 . 18 1 1 A 22 22 PHE CA C 22 57.273 56.904 0.369 1
1 171 . 18 1 1 A 22 22 PHE HA H 22 4.709 4.953 -0.244 1
1 172 . 18 1 1 A 22 22 PHE CB C 22 43.819 43.431 0.388 1
1 185 . 18 1 1 A 22 22 PHE C C 22 175.611 175.599 0.012 1
1 186 . 18 1 1 A 23 23 SER CA C 23 60.514 61.376 -0.862 1
1 187 . 18 1 1 A 23 23 SER HA H 23 4.552 4.538 0.014 1
1 188 . 18 1 1 A 23 23 SER CB C 23 63.982 62.938 1.044 1
1 191 . 18 1 1 A 23 23 SER C C 23 173.478 173.756 -0.278 1
1 192 . 18 1 1 A 24 24 HIS N N 24 116.869 118.231 -1.362 1
1 193 . 18 1 1 A 24 24 HIS H H 24 7.472 8.058 -0.586 1
1 194 . 18 1 1 A 24 24 HIS CA C 24 55.417 54.397 1.020 1
1 195 . 18 1 1 A 24 24 HIS HA H 24 4.878 4.518 0.360 1
1 196 . 18 1 1 A 24 24 HIS CB C 24 33.557 31.512 2.045 1
1 203 . 18 1 1 A 24 24 HIS C C 24 175.289 176.343 -1.054 1
1 204 . 18 1 1 A 25 25 HIS CA C 25 60.380 58.850 1.530 1
1 205 . 18 1 1 A 25 25 HIS HA H 25 3.237 3.720 -0.483 1
1 206 . 18 1 1 A 25 25 HIS CB C 25 30.379 28.897 1.482 1
1 213 . 18 1 1 A 26 26 ALA CA C 26 54.987 54.994 -0.007 1
1 214 . 18 1 1 A 26 26 ALA HA H 26 4.047 3.593 0.454 1
1 215 . 18 1 1 A 26 26 ALA CB C 26 17.884 18.169 -0.285 1
1 219 . 18 1 1 A 26 26 ALA C C 26 180.284 179.253 1.031 1
1 220 . 18 1 1 A 27 27 SER N N 27 112.465 113.087 -0.622 1
1 221 . 18 1 1 A 27 27 SER H H 27 7.065 8.213 -1.148 1
1 222 . 18 1 1 A 27 27 SER CA C 27 60.698 61.424 -0.726 1
1 223 . 18 1 1 A 27 27 SER HA H 27 4.166 4.059 0.107 1
1 224 . 18 1 1 A 27 27 SER CB C 27 62.410 63.197 -0.787 1
1 227 . 18 1 1 A 27 27 SER C C 27 176.636 176.620 0.016 1
1 228 . 18 1 1 A 28 28 LEU N N 28 124.235 121.685 2.550 1
1 229 . 18 1 1 A 28 28 LEU H H 28 7.071 7.544 -0.473 1
1 230 . 18 1 1 A 28 28 LEU CA C 28 58.002 57.303 0.699 1
1 231 . 18 1 1 A 28 28 LEU HA H 28 3.173 3.080 0.093 1
1 232 . 18 1 1 A 28 28 LEU CB C 28 40.109 41.311 -1.202 1
1 245 . 18 1 1 A 28 28 LEU C C 28 177.670 178.437 -0.767 1
1 246 . 18 1 1 A 29 29 THR N N 29 114.830 114.685 0.145 1
1 247 . 18 1 1 A 29 29 THR H H 29 8.211 8.317 -0.106 1
1 248 . 18 1 1 A 29 29 THR CA C 29 66.228 66.451 -0.223 1
1 249 . 18 1 1 A 29 29 THR HA H 29 3.893 3.804 0.089 1
1 250 . 18 1 1 A 29 29 THR CB C 29 68.192 68.391 -0.199 1
1 256 . 18 1 1 A 29 29 THR C C 29 177.331 176.373 0.958 1
1 257 . 18 1 1 A 30 30 GLN N N 30 120.065 121.404 -1.339 1
1 258 . 18 1 1 A 30 30 GLN H H 30 7.587 8.512 -0.925 1
1 259 . 18 1 1 A 30 30 GLN CA C 30 58.742 58.741 0.001 1
1 260 . 18 1 1 A 30 30 GLN HA H 30 3.938 3.855 0.083 1
1 261 . 18 1 1 A 30 30 GLN CB C 30 28.472 28.151 0.321 1
1 270 . 18 1 1 A 30 30 GLN C C 30 178.472 177.768 0.704 1
1 271 . 18 1 1 A 31 31 HIS N N 31 119.314 119.742 -0.428 1
1 272 . 18 1 1 A 31 31 HIS H H 31 7.556 8.014 -0.458 1
1 273 . 18 1 1 A 31 31 HIS CA C 31 58.950 59.622 -0.672 1
1 274 . 18 1 1 A 31 31 HIS HA H 31 4.200 4.227 -0.027 1
1 275 . 18 1 1 A 31 31 HIS CB C 31 28.343 29.818 -1.475 1
1 282 . 18 1 1 A 31 31 HIS C C 31 176.128 176.467 -0.339 1
1 283 . 18 1 1 A 32 32 GLN N N 32 115.215 117.001 -1.786 1
1 284 . 18 1 1 A 32 32 GLN H H 32 8.232 8.307 -0.075 1
1 285 . 18 1 1 A 32 32 GLN CA C 32 59.474 59.039 0.435 1
1 286 . 18 1 1 A 32 32 GLN HA H 32 3.602 3.620 -0.018 1
1 287 . 18 1 1 A 32 32 GLN CB C 32 28.296 28.267 0.029 1
1 296 . 18 1 1 A 32 32 GLN C C 32 177.517 178.433 -0.916 1
1 297 . 18 1 1 A 33 33 ARG N N 33 118.018 119.847 -1.829 1
1 298 . 18 1 1 A 33 33 ARG H H 33 7.107 7.693 -0.586 1
1 299 . 18 1 1 A 33 33 ARG CA C 33 58.590 59.117 -0.527 1
1 300 . 18 1 1 A 33 33 ARG HA H 33 4.093 3.883 0.210 1
1 301 . 18 1 1 A 33 33 ARG CB C 33 30.049 29.855 0.194 1
1 310 . 18 1 1 A 33 33 ARG C C 33 178.675 178.068 0.607 1
1 311 . 18 1 1 A 34 34 VAL N N 34 116.143 116.963 -0.820 1
1 312 . 18 1 1 A 34 34 VAL H H 34 7.914 7.838 0.076 1
1 313 . 18 1 1 A 34 34 VAL CA C 34 64.036 65.375 -1.339 1
1 314 . 18 1 1 A 34 34 VAL HA H 34 3.908 3.815 0.093 1
1 315 . 18 1 1 A 34 34 VAL CB C 34 31.098 30.933 0.165 1
1 325 . 18 1 1 A 34 34 VAL C C 34 177.283 176.270 1.013 1
1 326 . 18 1 1 A 35 35 HIS N N 35 116.733 120.816 -4.083 1
1 327 . 18 1 1 A 35 35 HIS H H 35 7.116 7.529 -0.413 1
1 328 . 18 1 1 A 35 35 HIS CA C 35 54.703 55.956 -1.253 1
1 329 . 18 1 1 A 35 35 HIS HA H 35 4.904 4.541 0.363 1
1 330 . 18 1 1 A 35 35 HIS CB C 35 28.407 29.896 -1.489 1
1 337 . 18 1 1 A 35 35 HIS C C 35 175.439 175.724 -0.285 1
1 338 . 18 1 1 A 36 36 SER N N 36 114.877 119.947 -5.070 1
1 339 . 18 1 1 A 36 36 SER H H 36 7.726 9.046 -1.320 1
1 340 . 18 1 1 A 36 36 SER CA C 36 59.166 60.326 -1.160 1
1 341 . 18 1 1 A 36 36 SER HA H 36 4.425 4.291 0.134 1
1 342 . 18 1 1 A 36 36 SER CB C 36 63.898 63.318 0.580 1
1 345 . 18 1 1 A 36 36 SER C C 36 175.093 174.804 0.289 1
1 346 . 18 1 1 A 37 37 GLY N N 37 110.867 107.634 3.233 1
1 347 . 18 1 1 A 37 37 GLY H H 37 8.365 7.441 0.924 1
1 348 . 18 1 1 A 37 37 GLY CA C 37 45.313 45.615 -0.302 1
1 349 . 18 1 1 A 37 37 GLY HA2 H 37 3.980 4.110 -0.130 1
1 350 . 18 1 1 A 37 37 GLY HA3 H 37 3.980 4.113 -0.133 1
1 351 . 18 1 1 A 37 37 GLY C C 37 174.083 173.923 0.160 1
1 352 . 18 1 1 A 38 38 GLU N N 38 120.469 123.383 -2.914 1
1 353 . 18 1 1 A 38 38 GLU H H 38 8.039 8.490 -0.451 1
1 354 . 18 1 1 A 38 38 GLU CA C 38 56.391 57.143 -0.752 1
1 355 . 18 1 1 A 38 38 GLU HA H 38 4.249 4.213 0.036 1
1 356 . 18 1 1 A 38 38 GLU CB C 38 30.526 30.520 0.006 1
1 362 . 18 1 1 A 38 38 GLU C C 38 176.248 176.570 -0.322 1
1 363 . 18 1 1 A 39 39 LYS N N 39 123.743 124.610 -0.867 1
1 364 . 18 1 1 A 39 39 LYS H H 39 8.418 8.246 0.172 1
1 365 . 18 1 1 A 39 39 LYS CA C 39 54.112 55.219 -1.107 1
1 366 . 18 1 1 A 39 39 LYS HA H 39 4.600 4.176 0.424 1
1 367 . 18 1 1 A 39 39 LYS CB C 39 32.515 32.529 -0.014 1
1 379 . 18 1 1 A 39 39 LYS C C 39 174.467 177.106 -2.639 1
1 380 . 18 1 1 A 40 40 PRO CA C 40 63.226 65.616 -2.390 1
1 381 . 18 1 1 A 40 40 PRO HA H 40 4.454 4.279 0.175 1
1 382 . 18 1 1 A 40 40 PRO CB C 40 32.184 31.454 0.730 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.434 45.462 -0.028 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.025 4.091 -0.066 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.025 4.091 -0.066 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.512 172.633 1.879 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.809 115.812 -3.003 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.155 8.733 -0.578 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.803 61.928 -0.125 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.362 4.297 0.065 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.812 70.062 -0.250 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.229 174.364 0.865 1
1 16 . 19 1 1 A 9 9 GLY N N 9 111.010 108.960 2.050 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.454 8.530 -0.076 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.274 44.772 0.502 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 3.960 4.373 -0.413 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.901 4.376 -0.475 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.065 172.314 1.751 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.229 120.822 -0.593 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.235 8.678 -0.443 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.899 57.489 -0.590 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.175 4.183 -0.008 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.419 30.030 0.389 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.478 177.671 -1.193 1
1 33 . 19 1 1 A 11 11 LYS N N 11 121.796 120.353 1.443 1
1 34 . 19 1 1 A 11 11 LYS H H 11 8.316 8.542 -0.226 1
1 35 . 19 1 1 A 11 11 LYS CA C 11 53.820 54.258 -0.438 1
1 36 . 19 1 1 A 11 11 LYS HA H 11 4.478 4.992 -0.514 1
1 37 . 19 1 1 A 11 11 LYS CB C 11 33.093 32.293 0.800 1
1 49 . 19 1 1 A 11 11 LYS C C 11 173.770 176.676 -2.906 1
1 50 . 19 1 1 A 12 12 PRO CA C 12 63.394 64.010 -0.616 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.276 4.477 -0.201 1
1 52 . 19 1 1 A 12 12 PRO CB C 12 32.241 31.507 0.734 1
1 61 . 19 1 1 A 12 12 PRO C C 12 176.311 175.836 0.475 1
1 62 . 19 1 1 A 13 13 TYR N N 13 118.293 119.864 -1.571 1
1 63 . 19 1 1 A 13 13 TYR H H 13 7.943 7.622 0.321 1
1 64 . 19 1 1 A 13 13 TYR CA C 13 57.354 57.090 0.264 1
1 65 . 19 1 1 A 13 13 TYR HA H 13 4.622 5.074 -0.452 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.729 40.521 -1.792 1
1 77 . 19 1 1 A 13 13 TYR C C 13 174.554 175.336 -0.782 1
1 78 . 19 1 1 A 14 14 GLU N N 14 123.940 122.388 1.552 1
1 79 . 19 1 1 A 14 14 GLU H H 14 8.632 8.921 -0.289 1
1 80 . 19 1 1 A 14 14 GLU CA C 14 54.907 54.346 0.561 1
1 81 . 19 1 1 A 14 14 GLU HA H 14 4.961 5.511 -0.550 1
1 82 . 19 1 1 A 14 14 GLU CB C 14 33.273 33.834 -0.561 1
1 88 . 19 1 1 A 14 14 GLU C C 14 175.188 174.787 0.401 1
1 89 . 19 1 1 A 15 15 CYS N N 15 126.724 123.185 3.539 1
1 90 . 19 1 1 A 15 15 CYS H H 15 9.106 8.547 0.559 1
1 91 . 19 1 1 A 15 15 CYS CA C 15 59.792 58.555 1.237 1
1 92 . 19 1 1 A 15 15 CYS HA H 15 4.470 4.847 -0.377 1
1 93 . 19 1 1 A 15 15 CYS CB C 15 29.830 29.302 0.528 1
1 96 . 19 1 1 A 15 15 CYS C C 15 176.556 175.892 0.664 1
1 97 . 19 1 1 A 16 16 ASP N N 16 130.840 128.215 2.625 1
1 98 . 19 1 1 A 16 16 ASP H H 16 9.184 9.307 -0.123 1
1 99 . 19 1 1 A 16 16 ASP CA C 16 56.098 54.589 1.509 1
1 100 . 19 1 1 A 16 16 ASP HA H 16 4.423 4.838 -0.415 1
1 101 . 19 1 1 A 16 16 ASP CB C 16 40.221 41.115 -0.894 1
1 104 . 19 1 1 A 16 16 ASP C C 16 175.891 176.427 -0.536 1
1 105 . 19 1 1 A 17 17 VAL N N 17 121.778 118.355 3.423 1
1 106 . 19 1 1 A 17 17 VAL H H 17 8.715 8.011 0.704 1
1 107 . 19 1 1 A 17 17 VAL CA C 17 65.079 63.693 1.386 1
1 108 . 19 1 1 A 17 17 VAL HA H 17 3.802 4.143 -0.341 1
1 109 . 19 1 1 A 17 17 VAL CB C 17 33.070 33.682 -0.612 1
1 119 . 19 1 1 A 17 17 VAL C C 17 177.159 177.300 -0.141 1
1 120 . 19 1 1 A 18 18 CYS N N 18 116.273 115.648 0.625 1
1 121 . 19 1 1 A 18 18 CYS H H 18 8.033 8.096 -0.063 1
1 122 . 19 1 1 A 18 18 CYS CA C 18 58.364 58.215 0.149 1
1 123 . 19 1 1 A 18 18 CYS HA H 18 5.063 4.474 0.589 1
1 124 . 19 1 1 A 18 18 CYS CB C 18 32.219 28.733 3.486 1
1 127 . 19 1 1 A 18 18 CYS C C 18 175.604 174.556 1.048 1
1 128 . 19 1 1 A 19 19 ARG N N 19 116.989 116.193 0.796 1
1 129 . 19 1 1 A 19 19 ARG H H 19 8.006 7.774 0.232 1
1 130 . 19 1 1 A 19 19 ARG CA C 19 57.775 57.058 0.717 1
1 131 . 19 1 1 A 19 19 ARG HA H 19 4.185 4.204 -0.019 1
1 132 . 19 1 1 A 19 19 ARG CB C 19 26.272 27.030 -0.758 1
1 141 . 19 1 1 A 19 19 ARG C C 19 175.142 175.284 -0.142 1
1 142 . 19 1 1 A 20 20 LYS N N 20 122.150 118.595 3.555 1
1 143 . 19 1 1 A 20 20 LYS H H 20 7.911 8.161 -0.250 1
1 144 . 19 1 1 A 20 20 LYS CA C 20 58.232 56.098 2.134 1
1 145 . 19 1 1 A 20 20 LYS HA H 20 4.015 4.265 -0.250 1
1 146 . 19 1 1 A 20 20 LYS CB C 20 33.817 33.953 -0.136 1
1 158 . 19 1 1 A 20 20 LYS C C 20 174.015 175.018 -1.003 1
1 159 . 19 1 1 A 21 21 ALA N N 21 124.525 120.605 3.920 1
1 160 . 19 1 1 A 21 21 ALA H H 21 7.843 7.900 -0.057 1
1 161 . 19 1 1 A 21 21 ALA CA C 21 50.504 51.337 -0.833 1
1 162 . 19 1 1 A 21 21 ALA HA H 21 5.133 5.308 -0.175 1
1 163 . 19 1 1 A 21 21 ALA CB C 21 22.105 22.422 -0.317 1
1 167 . 19 1 1 A 21 21 ALA C C 21 176.441 175.042 1.399 1
1 168 . 19 1 1 A 22 22 PHE N N 22 116.906 120.320 -3.414 1
1 169 . 19 1 1 A 22 22 PHE H H 22 8.731 8.735 -0.004 1
1 170 . 19 1 1 A 22 22 PHE CA C 22 57.273 56.602 0.671 1
1 171 . 19 1 1 A 22 22 PHE HA H 22 4.709 5.022 -0.313 1
1 172 . 19 1 1 A 22 22 PHE CB C 22 43.819 43.539 0.280 1
1 185 . 19 1 1 A 22 22 PHE C C 22 175.611 175.995 -0.384 1
1 186 . 19 1 1 A 23 23 SER CA C 23 60.514 59.785 0.729 1
1 187 . 19 1 1 A 23 23 SER HA H 23 4.552 4.660 -0.108 1
1 188 . 19 1 1 A 23 23 SER CB C 23 63.982 63.426 0.556 1
1 191 . 19 1 1 A 23 23 SER C C 23 173.478 174.139 -0.661 1
1 192 . 19 1 1 A 24 24 HIS N N 24 116.869 119.806 -2.937 1
1 193 . 19 1 1 A 24 24 HIS H H 24 7.472 7.788 -0.316 1
1 194 . 19 1 1 A 24 24 HIS CA C 24 55.417 56.216 -0.799 1
1 195 . 19 1 1 A 24 24 HIS HA H 24 4.878 4.654 0.224 1
1 196 . 19 1 1 A 24 24 HIS CB C 24 33.557 31.281 2.276 1
1 203 . 19 1 1 A 24 24 HIS C C 24 175.289 176.414 -1.125 1
1 204 . 19 1 1 A 25 25 HIS CA C 25 60.380 58.461 1.919 1
1 205 . 19 1 1 A 25 25 HIS HA H 25 3.237 2.936 0.301 1
1 206 . 19 1 1 A 25 25 HIS CB C 25 30.379 28.776 1.603 1
1 213 . 19 1 1 A 26 26 ALA CA C 26 54.987 54.836 0.151 1
1 214 . 19 1 1 A 26 26 ALA HA H 26 4.047 3.479 0.568 1
1 215 . 19 1 1 A 26 26 ALA CB C 26 17.884 18.325 -0.441 1
1 219 . 19 1 1 A 26 26 ALA C C 26 180.284 179.776 0.508 1
1 220 . 19 1 1 A 27 27 SER N N 27 112.465 113.776 -1.311 1
1 221 . 19 1 1 A 27 27 SER H H 27 7.065 8.062 -0.997 1
1 222 . 19 1 1 A 27 27 SER CA C 27 60.698 61.680 -0.982 1
1 223 . 19 1 1 A 27 27 SER HA H 27 4.166 4.045 0.121 1
1 224 . 19 1 1 A 27 27 SER CB C 27 62.410 63.028 -0.618 1
1 227 . 19 1 1 A 27 27 SER C C 27 176.636 175.750 0.886 1
1 228 . 19 1 1 A 28 28 LEU N N 28 124.235 121.826 2.409 1
1 229 . 19 1 1 A 28 28 LEU H H 28 7.071 7.365 -0.294 1
1 230 . 19 1 1 A 28 28 LEU CA C 28 58.002 57.201 0.801 1
1 231 . 19 1 1 A 28 28 LEU HA H 28 3.173 3.357 -0.184 1
1 232 . 19 1 1 A 28 28 LEU CB C 28 40.109 41.792 -1.683 1
1 245 . 19 1 1 A 28 28 LEU C C 28 177.670 177.966 -0.296 1
1 246 . 19 1 1 A 29 29 THR N N 29 114.830 113.959 0.871 1
1 247 . 19 1 1 A 29 29 THR H H 29 8.211 8.001 0.210 1
1 248 . 19 1 1 A 29 29 THR CA C 29 66.228 65.442 0.786 1
1 249 . 19 1 1 A 29 29 THR HA H 29 3.893 3.848 0.045 1
1 250 . 19 1 1 A 29 29 THR CB C 29 68.192 68.972 -0.780 1
1 256 . 19 1 1 A 29 29 THR C C 29 177.331 176.506 0.825 1
1 257 . 19 1 1 A 30 30 GLN N N 30 120.065 120.955 -0.890 1
1 258 . 19 1 1 A 30 30 GLN H H 30 7.587 7.943 -0.356 1
1 259 . 19 1 1 A 30 30 GLN CA C 30 58.742 58.351 0.391 1
1 260 . 19 1 1 A 30 30 GLN HA H 30 3.938 4.157 -0.219 1
1 261 . 19 1 1 A 30 30 GLN CB C 30 28.472 28.370 0.102 1
1 270 . 19 1 1 A 30 30 GLN C C 30 178.472 177.953 0.519 1
1 271 . 19 1 1 A 31 31 HIS N N 31 119.314 121.533 -2.219 1
1 272 . 19 1 1 A 31 31 HIS H H 31 7.556 8.085 -0.529 1
1 273 . 19 1 1 A 31 31 HIS CA C 31 58.950 59.403 -0.453 1
1 274 . 19 1 1 A 31 31 HIS HA H 31 4.200 4.122 0.078 1
1 275 . 19 1 1 A 31 31 HIS CB C 31 28.343 29.701 -1.358 1
1 282 . 19 1 1 A 31 31 HIS C C 31 176.128 176.862 -0.734 1
1 283 . 19 1 1 A 32 32 GLN N N 32 115.215 117.309 -2.094 1
1 284 . 19 1 1 A 32 32 GLN H H 32 8.232 8.640 -0.408 1
1 285 . 19 1 1 A 32 32 GLN CA C 32 59.474 59.255 0.219 1
1 286 . 19 1 1 A 32 32 GLN HA H 32 3.602 3.980 -0.378 1
1 287 . 19 1 1 A 32 32 GLN CB C 32 28.296 28.433 -0.137 1
1 296 . 19 1 1 A 32 32 GLN C C 32 177.517 178.468 -0.951 1
1 297 . 19 1 1 A 33 33 ARG N N 33 118.018 120.072 -2.054 1
1 298 . 19 1 1 A 33 33 ARG H H 33 7.107 8.085 -0.978 1
1 299 . 19 1 1 A 33 33 ARG CA C 33 58.590 59.077 -0.487 1
1 300 . 19 1 1 A 33 33 ARG HA H 33 4.093 3.906 0.187 1
1 301 . 19 1 1 A 33 33 ARG CB C 33 30.049 29.921 0.128 1
1 310 . 19 1 1 A 33 33 ARG C C 33 178.675 178.348 0.327 1
1 311 . 19 1 1 A 34 34 VAL N N 34 116.143 117.270 -1.127 1
1 312 . 19 1 1 A 34 34 VAL H H 34 7.914 8.075 -0.161 1
1 313 . 19 1 1 A 34 34 VAL CA C 34 64.036 65.372 -1.336 1
1 314 . 19 1 1 A 34 34 VAL HA H 34 3.908 3.718 0.190 1
1 315 . 19 1 1 A 34 34 VAL CB C 34 31.098 31.005 0.093 1
1 325 . 19 1 1 A 34 34 VAL C C 34 177.283 176.095 1.188 1
1 326 . 19 1 1 A 35 35 HIS N N 35 116.733 120.847 -4.114 1
1 327 . 19 1 1 A 35 35 HIS H H 35 7.116 8.080 -0.964 1
1 328 . 19 1 1 A 35 35 HIS CA C 35 54.703 56.202 -1.499 1
1 329 . 19 1 1 A 35 35 HIS HA H 35 4.904 4.797 0.107 1
1 330 . 19 1 1 A 35 35 HIS CB C 35 28.407 31.728 -3.321 1
1 337 . 19 1 1 A 35 35 HIS C C 35 175.439 175.428 0.011 1
1 338 . 19 1 1 A 36 36 SER N N 36 114.877 118.367 -3.490 1
1 339 . 19 1 1 A 36 36 SER H H 36 7.726 9.142 -1.416 1
1 340 . 19 1 1 A 36 36 SER CA C 36 59.166 58.179 0.987 1
1 341 . 19 1 1 A 36 36 SER HA H 36 4.425 4.515 -0.090 1
1 342 . 19 1 1 A 36 36 SER CB C 36 63.898 64.687 -0.789 1
1 345 . 19 1 1 A 36 36 SER C C 36 175.093 176.215 -1.122 1
1 346 . 19 1 1 A 37 37 GLY N N 37 110.867 111.344 -0.477 1
1 347 . 19 1 1 A 37 37 GLY H H 37 8.365 8.389 -0.024 1
1 348 . 19 1 1 A 37 37 GLY CA C 37 45.313 47.434 -2.121 1
1 349 . 19 1 1 A 37 37 GLY HA2 H 37 3.980 3.798 0.182 1
1 350 . 19 1 1 A 37 37 GLY HA3 H 37 3.980 3.803 0.177 1
1 351 . 19 1 1 A 37 37 GLY C C 37 174.083 174.380 -0.297 1
1 352 . 19 1 1 A 38 38 GLU N N 38 120.469 112.708 7.761 1
1 353 . 19 1 1 A 38 38 GLU H H 38 8.039 7.964 0.075 1
1 354 . 19 1 1 A 38 38 GLU CA C 38 56.391 55.150 1.241 1
1 355 . 19 1 1 A 38 38 GLU HA H 38 4.249 4.588 -0.339 1
1 356 . 19 1 1 A 38 38 GLU CB C 38 30.526 31.942 -1.416 1
1 362 . 19 1 1 A 38 38 GLU C C 38 176.248 175.492 0.756 1
1 363 . 19 1 1 A 39 39 LYS N N 39 123.743 119.815 3.928 1
1 364 . 19 1 1 A 39 39 LYS H H 39 8.418 8.918 -0.500 1
1 365 . 19 1 1 A 39 39 LYS CA C 39 54.112 57.081 -2.969 1
1 366 . 19 1 1 A 39 39 LYS HA H 39 4.600 3.929 0.671 1
1 367 . 19 1 1 A 39 39 LYS CB C 39 32.515 31.095 1.420 1
1 379 . 19 1 1 A 39 39 LYS C C 39 174.467 175.396 -0.929 1
1 380 . 19 1 1 A 40 40 PRO CA C 40 63.226 62.566 0.660 1
1 381 . 19 1 1 A 40 40 PRO HA H 40 4.454 4.608 -0.154 1
1 382 . 19 1 1 A 40 40 PRO CB C 40 32.184 32.304 -0.120 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.434 46.463 -1.029 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.025 4.015 0.010 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.025 4.017 0.008 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.512 173.879 0.633 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.809 108.304 4.505 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.155 7.540 0.615 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.803 60.562 1.241 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.362 5.147 -0.785 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.812 70.753 -0.941 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.229 173.963 1.266 1
1 16 . 20 1 1 A 9 9 GLY N N 9 111.010 112.109 -1.099 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.454 8.932 -0.478 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.274 47.084 -1.810 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 3.960 3.901 0.059 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.901 3.902 -0.001 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.065 175.636 -1.571 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.229 119.786 0.443 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.235 8.181 0.054 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.899 58.117 -1.218 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.175 4.153 0.022 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.419 29.366 1.053 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.478 176.399 0.079 1
1 33 . 20 1 1 A 11 11 LYS N N 11 121.796 120.521 1.275 1
1 34 . 20 1 1 A 11 11 LYS H H 11 8.316 7.673 0.643 1
1 35 . 20 1 1 A 11 11 LYS CA C 11 53.820 52.691 1.129 1
1 36 . 20 1 1 A 11 11 LYS HA H 11 4.478 4.745 -0.267 1
1 37 . 20 1 1 A 11 11 LYS CB C 11 33.093 34.076 -0.983 1
1 49 . 20 1 1 A 11 11 LYS C C 11 173.770 176.093 -2.323 1
1 50 . 20 1 1 A 12 12 PRO CA C 12 63.394 64.626 -1.232 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.276 4.373 -0.097 1
1 52 . 20 1 1 A 12 12 PRO CB C 12 32.241 31.939 0.302 1
1 61 . 20 1 1 A 12 12 PRO C C 12 176.311 175.813 0.498 1
1 62 . 20 1 1 A 13 13 TYR N N 13 118.293 118.684 -0.391 1
1 63 . 20 1 1 A 13 13 TYR H H 13 7.943 7.797 0.146 1
1 64 . 20 1 1 A 13 13 TYR CA C 13 57.354 57.630 -0.276 1
1 65 . 20 1 1 A 13 13 TYR HA H 13 4.622 5.062 -0.440 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.729 41.026 -2.297 1
1 77 . 20 1 1 A 13 13 TYR C C 13 174.554 175.249 -0.695 1
1 78 . 20 1 1 A 14 14 GLU N N 14 123.940 122.296 1.644 1
1 79 . 20 1 1 A 14 14 GLU H H 14 8.632 8.902 -0.270 1
1 80 . 20 1 1 A 14 14 GLU CA C 14 54.907 55.861 -0.954 1
1 81 . 20 1 1 A 14 14 GLU HA H 14 4.961 5.248 -0.287 1
1 82 . 20 1 1 A 14 14 GLU CB C 14 33.273 34.330 -1.057 1
1 88 . 20 1 1 A 14 14 GLU C C 14 175.188 174.814 0.374 1
1 89 . 20 1 1 A 15 15 CYS N N 15 126.724 123.862 2.862 1
1 90 . 20 1 1 A 15 15 CYS H H 15 9.106 8.967 0.139 1
1 91 . 20 1 1 A 15 15 CYS CA C 15 59.792 59.674 0.118 1
1 92 . 20 1 1 A 15 15 CYS HA H 15 4.470 4.620 -0.150 1
1 93 . 20 1 1 A 15 15 CYS CB C 15 29.830 28.376 1.454 1
1 96 . 20 1 1 A 15 15 CYS C C 15 176.556 175.666 0.890 1
1 97 . 20 1 1 A 16 16 ASP N N 16 130.840 128.323 2.517 1
1 98 . 20 1 1 A 16 16 ASP H H 16 9.184 9.162 0.022 1
1 99 . 20 1 1 A 16 16 ASP CA C 16 56.098 54.451 1.647 1
1 100 . 20 1 1 A 16 16 ASP HA H 16 4.423 4.859 -0.436 1
1 101 . 20 1 1 A 16 16 ASP CB C 16 40.221 41.116 -0.895 1
1 104 . 20 1 1 A 16 16 ASP C C 16 175.891 176.480 -0.589 1
1 105 . 20 1 1 A 17 17 VAL N N 17 121.778 118.816 2.962 1
1 106 . 20 1 1 A 17 17 VAL H H 17 8.715 8.049 0.666 1
1 107 . 20 1 1 A 17 17 VAL CA C 17 65.079 63.563 1.516 1
1 108 . 20 1 1 A 17 17 VAL HA H 17 3.802 4.171 -0.369 1
1 109 . 20 1 1 A 17 17 VAL CB C 17 33.070 33.797 -0.727 1
1 119 . 20 1 1 A 17 17 VAL C C 17 177.159 177.272 -0.113 1
1 120 . 20 1 1 A 18 18 CYS N N 18 116.273 115.739 0.534 1
1 121 . 20 1 1 A 18 18 CYS H H 18 8.033 8.047 -0.014 1
1 122 . 20 1 1 A 18 18 CYS CA C 18 58.364 58.331 0.033 1
1 123 . 20 1 1 A 18 18 CYS HA H 18 5.063 4.438 0.625 1
1 124 . 20 1 1 A 18 18 CYS CB C 18 32.219 28.937 3.282 1
1 127 . 20 1 1 A 18 18 CYS C C 18 175.604 174.473 1.131 1
1 128 . 20 1 1 A 19 19 ARG N N 19 116.989 116.771 0.218 1
1 129 . 20 1 1 A 19 19 ARG H H 19 8.006 7.726 0.280 1
1 130 . 20 1 1 A 19 19 ARG CA C 19 57.775 57.062 0.713 1
1 131 . 20 1 1 A 19 19 ARG HA H 19 4.185 4.171 0.014 1
1 132 . 20 1 1 A 19 19 ARG CB C 19 26.272 27.107 -0.835 1
1 141 . 20 1 1 A 19 19 ARG C C 19 175.142 174.253 0.889 1
1 142 . 20 1 1 A 20 20 LYS N N 20 122.150 118.817 3.333 1
1 143 . 20 1 1 A 20 20 LYS H H 20 7.911 7.774 0.137 1
1 144 . 20 1 1 A 20 20 LYS CA C 20 58.232 55.677 2.555 1
1 145 . 20 1 1 A 20 20 LYS HA H 20 4.015 4.627 -0.612 1
1 146 . 20 1 1 A 20 20 LYS CB C 20 33.817 34.063 -0.246 1
1 158 . 20 1 1 A 20 20 LYS C C 20 174.015 175.421 -1.406 1
1 159 . 20 1 1 A 21 21 ALA N N 21 124.525 127.247 -2.722 1
1 160 . 20 1 1 A 21 21 ALA H H 21 7.843 8.600 -0.757 1
1 161 . 20 1 1 A 21 21 ALA CA C 21 50.504 50.535 -0.031 1
1 162 . 20 1 1 A 21 21 ALA HA H 21 5.133 5.242 -0.109 1
1 163 . 20 1 1 A 21 21 ALA CB C 21 22.105 21.455 0.650 1
1 167 . 20 1 1 A 21 21 ALA C C 21 176.441 176.347 0.094 1
1 168 . 20 1 1 A 22 22 PHE N N 22 116.906 118.559 -1.653 1
1 169 . 20 1 1 A 22 22 PHE H H 22 8.731 8.683 0.048 1
1 170 . 20 1 1 A 22 22 PHE CA C 22 57.273 56.895 0.378 1
1 171 . 20 1 1 A 22 22 PHE HA H 22 4.709 4.835 -0.126 1
1 172 . 20 1 1 A 22 22 PHE CB C 22 43.819 41.758 2.061 1
1 185 . 20 1 1 A 22 22 PHE C C 22 175.611 175.935 -0.324 1
1 186 . 20 1 1 A 23 23 SER CA C 23 60.514 62.798 -2.284 1
1 187 . 20 1 1 A 23 23 SER HA H 23 4.552 4.305 0.247 1
1 188 . 20 1 1 A 23 23 SER CB C 23 63.982 63.121 0.861 1
1 191 . 20 1 1 A 23 23 SER C C 23 173.478 174.924 -1.446 1
1 192 . 20 1 1 A 24 24 HIS N N 24 116.869 116.249 0.620 1
1 193 . 20 1 1 A 24 24 HIS H H 24 7.472 7.599 -0.127 1
1 194 . 20 1 1 A 24 24 HIS CA C 24 55.417 53.866 1.551 1
1 195 . 20 1 1 A 24 24 HIS HA H 24 4.878 4.736 0.142 1
1 196 . 20 1 1 A 24 24 HIS CB C 24 33.557 32.473 1.084 1
1 203 . 20 1 1 A 24 24 HIS C C 24 175.289 174.464 0.825 1
1 204 . 20 1 1 A 25 25 HIS CA C 25 60.380 58.914 1.466 1
1 205 . 20 1 1 A 25 25 HIS HA H 25 3.237 3.694 -0.457 1
1 206 . 20 1 1 A 25 25 HIS CB C 25 30.379 28.830 1.549 1
1 213 . 20 1 1 A 26 26 ALA CA C 26 54.987 55.050 -0.063 1
1 214 . 20 1 1 A 26 26 ALA HA H 26 4.047 3.802 0.245 1
1 215 . 20 1 1 A 26 26 ALA CB C 26 17.884 18.279 -0.395 1
1 219 . 20 1 1 A 26 26 ALA C C 26 180.284 179.698 0.586 1
1 220 . 20 1 1 A 27 27 SER N N 27 112.465 114.117 -1.652 1
1 221 . 20 1 1 A 27 27 SER H H 27 7.065 7.739 -0.674 1
1 222 . 20 1 1 A 27 27 SER CA C 27 60.698 61.770 -1.072 1
1 223 . 20 1 1 A 27 27 SER HA H 27 4.166 3.980 0.186 1
1 224 . 20 1 1 A 27 27 SER CB C 27 62.410 62.540 -0.130 1
1 227 . 20 1 1 A 27 27 SER C C 27 176.636 175.862 0.774 1
1 228 . 20 1 1 A 28 28 LEU N N 28 124.235 121.449 2.786 1
1 229 . 20 1 1 A 28 28 LEU H H 28 7.071 7.901 -0.830 1
1 230 . 20 1 1 A 28 28 LEU CA C 28 58.002 56.838 1.164 1
1 231 . 20 1 1 A 28 28 LEU HA H 28 3.173 2.603 0.570 1
1 232 . 20 1 1 A 28 28 LEU CB C 28 40.109 41.295 -1.186 1
1 245 . 20 1 1 A 28 28 LEU C C 28 177.670 177.825 -0.155 1
1 246 . 20 1 1 A 29 29 THR N N 29 114.830 113.884 0.946 1
1 247 . 20 1 1 A 29 29 THR H H 29 8.211 8.417 -0.206 1
1 248 . 20 1 1 A 29 29 THR CA C 29 66.228 65.405 0.823 1
1 249 . 20 1 1 A 29 29 THR HA H 29 3.893 3.793 0.100 1
1 250 . 20 1 1 A 29 29 THR CB C 29 68.192 69.030 -0.838 1
1 256 . 20 1 1 A 29 29 THR C C 29 177.331 177.033 0.298 1
1 257 . 20 1 1 A 30 30 GLN N N 30 120.065 120.488 -0.423 1
1 258 . 20 1 1 A 30 30 GLN H H 30 7.587 7.435 0.152 1
1 259 . 20 1 1 A 30 30 GLN CA C 30 58.742 58.864 -0.122 1
1 260 . 20 1 1 A 30 30 GLN HA H 30 3.938 3.917 0.021 1
1 261 . 20 1 1 A 30 30 GLN CB C 30 28.472 28.603 -0.131 1
1 270 . 20 1 1 A 30 30 GLN C C 30 178.472 177.814 0.658 1
1 271 . 20 1 1 A 31 31 HIS N N 31 119.314 119.979 -0.665 1
1 272 . 20 1 1 A 31 31 HIS H H 31 7.556 7.695 -0.139 1
1 273 . 20 1 1 A 31 31 HIS CA C 31 58.950 59.644 -0.694 1
1 274 . 20 1 1 A 31 31 HIS HA H 31 4.200 4.155 0.045 1
1 275 . 20 1 1 A 31 31 HIS CB C 31 28.343 29.591 -1.248 1
1 282 . 20 1 1 A 31 31 HIS C C 31 176.128 176.512 -0.384 1
1 283 . 20 1 1 A 32 32 GLN N N 32 115.215 117.187 -1.972 1
1 284 . 20 1 1 A 32 32 GLN H H 32 8.232 8.673 -0.441 1
1 285 . 20 1 1 A 32 32 GLN CA C 32 59.474 59.308 0.166 1
1 286 . 20 1 1 A 32 32 GLN HA H 32 3.602 4.001 -0.399 1
1 287 . 20 1 1 A 32 32 GLN CB C 32 28.296 28.313 -0.017 1
1 296 . 20 1 1 A 32 32 GLN C C 32 177.517 178.411 -0.894 1
1 297 . 20 1 1 A 33 33 ARG N N 33 118.018 119.218 -1.200 1
1 298 . 20 1 1 A 33 33 ARG H H 33 7.107 7.827 -0.720 1
1 299 . 20 1 1 A 33 33 ARG CA C 33 58.590 59.137 -0.547 1
1 300 . 20 1 1 A 33 33 ARG HA H 33 4.093 3.906 0.187 1
1 301 . 20 1 1 A 33 33 ARG CB C 33 30.049 30.030 0.019 1
1 310 . 20 1 1 A 33 33 ARG C C 33 178.675 178.311 0.364 1
1 311 . 20 1 1 A 34 34 VAL N N 34 116.143 116.687 -0.544 1
1 312 . 20 1 1 A 34 34 VAL H H 34 7.914 8.119 -0.205 1
1 313 . 20 1 1 A 34 34 VAL CA C 34 64.036 65.309 -1.273 1
1 314 . 20 1 1 A 34 34 VAL HA H 34 3.908 3.779 0.129 1
1 315 . 20 1 1 A 34 34 VAL CB C 34 31.098 30.976 0.122 1
1 325 . 20 1 1 A 34 34 VAL C C 34 177.283 176.023 1.260 1
1 326 . 20 1 1 A 35 35 HIS N N 35 116.733 120.899 -4.166 1
1 327 . 20 1 1 A 35 35 HIS H H 35 7.116 7.909 -0.793 1
1 328 . 20 1 1 A 35 35 HIS CA C 35 54.703 55.718 -1.015 1
1 329 . 20 1 1 A 35 35 HIS HA H 35 4.904 4.716 0.188 1
1 330 . 20 1 1 A 35 35 HIS CB C 35 28.407 30.467 -2.060 1
1 337 . 20 1 1 A 35 35 HIS C C 35 175.439 175.079 0.360 1
1 338 . 20 1 1 A 36 36 SER N N 36 114.877 119.569 -4.692 1
1 339 . 20 1 1 A 36 36 SER H H 36 7.726 9.122 -1.396 1
1 340 . 20 1 1 A 36 36 SER CA C 36 59.166 59.574 -0.408 1
1 341 . 20 1 1 A 36 36 SER HA H 36 4.425 4.514 -0.089 1
1 342 . 20 1 1 A 36 36 SER CB C 36 63.898 65.636 -1.738 1
1 345 . 20 1 1 A 36 36 SER C C 36 175.093 174.657 0.436 1
1 346 . 20 1 1 A 37 37 GLY N N 37 110.867 108.892 1.975 1
1 347 . 20 1 1 A 37 37 GLY H H 37 8.365 8.045 0.320 1
1 348 . 20 1 1 A 37 37 GLY CA C 37 45.313 45.329 -0.016 1
1 349 . 20 1 1 A 37 37 GLY HA2 H 37 3.980 4.012 -0.032 1
1 350 . 20 1 1 A 37 37 GLY HA3 H 37 3.980 4.015 -0.035 1
1 351 . 20 1 1 A 37 37 GLY C C 37 174.083 174.447 -0.364 1
1 352 . 20 1 1 A 38 38 GLU N N 38 120.469 122.296 -1.827 1
1 353 . 20 1 1 A 38 38 GLU H H 38 8.039 7.911 0.128 1
1 354 . 20 1 1 A 38 38 GLU CA C 38 56.391 56.208 0.183 1
1 355 . 20 1 1 A 38 38 GLU HA H 38 4.249 4.263 -0.014 1
1 356 . 20 1 1 A 38 38 GLU CB C 38 30.526 31.086 -0.560 1
1 362 . 20 1 1 A 38 38 GLU C C 38 176.248 177.323 -1.075 1
1 363 . 20 1 1 A 39 39 LYS N N 39 123.743 124.902 -1.159 1
1 364 . 20 1 1 A 39 39 LYS H H 39 8.418 8.887 -0.469 1
1 365 . 20 1 1 A 39 39 LYS CA C 39 54.112 57.130 -3.018 1
1 366 . 20 1 1 A 39 39 LYS HA H 39 4.600 3.988 0.612 1
1 367 . 20 1 1 A 39 39 LYS CB C 39 32.515 30.171 2.344 1
1 379 . 20 1 1 A 39 39 LYS C C 39 174.467 176.586 -2.119 1
1 380 . 20 1 1 A 40 40 PRO CA C 40 63.226 62.516 0.710 1
1 381 . 20 1 1 A 40 40 PRO HA H 40 4.454 4.679 -0.225 1
1 382 . 20 1 1 A 40 40 PRO CB C 40 32.184 29.702 2.482 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 32 0.859 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.104 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.445 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.569 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.331 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.406 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.808 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.048 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.164 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.596 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.259 1
12 1 2 1 "RMS(OBS, PRED)" N 28 2.881 1
13 1 3 1 "RMS(OBS, PRED)" C 32 1.063 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.192 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.418 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.573 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.363 1
18 1 3 1 "RMS(OBS, PRED)" N 28 3.030 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.007 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.196 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.307 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.559 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.342 1
24 1 4 1 "RMS(OBS, PRED)" N 28 2.724 1
25 1 5 1 "RMS(OBS, PRED)" C 32 1.018 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 0.887 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.803 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.596 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.297 1
30 1 5 1 "RMS(OBS, PRED)" N 28 3.370 1
31 1 6 1 "RMS(OBS, PRED)" C 32 0.891 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 0.973 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.326 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.525 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.299 1
36 1 6 1 "RMS(OBS, PRED)" N 28 2.337 1
37 1 7 1 "RMS(OBS, PRED)" C 32 1.233 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.222 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.538 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.326 1
42 1 7 1 "RMS(OBS, PRED)" N 28 2.800 1
43 1 8 1 "RMS(OBS, PRED)" C 32 0.977 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.161 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.702 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.546 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.326 1
48 1 8 1 "RMS(OBS, PRED)" N 28 2.813 1
49 1 9 1 "RMS(OBS, PRED)" C 32 1.070 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.277 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.544 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.553 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.336 1
54 1 9 1 "RMS(OBS, PRED)" N 28 2.504 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.110 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.182 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.360 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.516 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.325 1
60 1 10 1 "RMS(OBS, PRED)" N 28 2.529 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.112 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.051 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.327 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.563 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.291 1
66 1 11 1 "RMS(OBS, PRED)" N 28 2.865 1
67 1 12 1 "RMS(OBS, PRED)" C 32 1.026 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.022 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.378 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.496 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.303 1
72 1 12 1 "RMS(OBS, PRED)" N 28 2.741 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.102 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.124 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.607 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.542 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.305 1
78 1 13 1 "RMS(OBS, PRED)" N 28 3.555 1
79 1 14 1 "RMS(OBS, PRED)" C 32 1.041 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.236 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.629 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.504 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.370 1
84 1 14 1 "RMS(OBS, PRED)" N 28 2.344 1
85 1 15 1 "RMS(OBS, PRED)" C 32 1.059 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.138 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.471 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.522 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.373 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.807 1
91 1 16 1 "RMS(OBS, PRED)" C 32 0.982 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.263 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.449 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.549 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.318 1
96 1 16 1 "RMS(OBS, PRED)" N 28 2.343 1
97 1 17 1 "RMS(OBS, PRED)" C 32 0.961 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.162 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.240 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.550 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.272 1
102 1 17 1 "RMS(OBS, PRED)" N 28 2.498 1
103 1 18 1 "RMS(OBS, PRED)" C 32 1.074 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.077 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.141 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.587 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.311 1
108 1 18 1 "RMS(OBS, PRED)" N 28 2.588 1
109 1 19 1 "RMS(OBS, PRED)" C 32 1.027 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.122 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.277 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.534 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.319 1
114 1 19 1 "RMS(OBS, PRED)" N 28 2.918 1
115 1 20 1 "RMS(OBS, PRED)" C 32 0.969 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.226 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.372 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.515 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.313 1
120 1 20 1 "RMS(OBS, PRED)" N 28 2.253 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.434 45.502 -0.068 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.025 4.037 -0.012 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.025 4.038 -0.013 2
1 4 . 1 1 A 7 7 GLY C C 7 174.512 173.510 1.002 2
1 5 . 1 1 A 8 8 THR N N 8 112.809 114.216 -1.407 2
1 6 . 1 1 A 8 8 THR H H 8 8.155 8.294 -0.139 2
1 7 . 1 1 A 8 8 THR CA C 8 61.803 61.775 0.028 2
1 8 . 1 1 A 8 8 THR HA H 8 4.362 4.576 -0.214 2
1 9 . 1 1 A 8 8 THR CB C 8 69.812 69.764 0.048 2
1 15 . 1 1 A 8 8 THR C C 8 175.229 174.226 1.003 2
1 16 . 1 1 A 9 9 GLY N N 9 111.010 110.787 0.223 2
1 17 . 1 1 A 9 9 GLY H H 9 8.454 8.271 0.183 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.274 45.668 -0.394 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 3.960 4.069 -0.109 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.901 4.073 -0.172 2
1 21 . 1 1 A 9 9 GLY C C 9 174.065 173.710 0.355 2
1 22 . 1 1 A 10 10 GLU N N 10 120.229 121.298 -1.069 2
1 23 . 1 1 A 10 10 GLU H H 10 8.235 8.477 -0.242 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.899 56.437 0.462 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.175 4.537 -0.362 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.419 31.123 -0.704 2
1 32 . 1 1 A 10 10 GLU C C 10 176.478 176.195 0.283 2
1 33 . 1 1 A 11 11 LYS N N 11 121.796 120.331 1.465 2
1 34 . 1 1 A 11 11 LYS H H 11 8.316 8.109 0.207 2
1 35 . 1 1 A 11 11 LYS CA C 11 53.820 53.892 -0.072 2
1 36 . 1 1 A 11 11 LYS HA H 11 4.478 4.754 -0.276 2
1 37 . 1 1 A 11 11 LYS CB C 11 33.093 33.536 -0.444 2
1 49 . 1 1 A 11 11 LYS C C 11 173.770 176.165 -2.395 2
1 50 . 1 1 A 12 12 PRO CA C 12 63.394 64.090 -0.696 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.276 4.357 -0.081 2
1 52 . 1 1 A 12 12 PRO CB C 12 32.241 31.422 0.819 2
1 61 . 1 1 A 12 12 PRO C C 12 176.311 175.664 0.647 2
1 62 . 1 1 A 13 13 TYR N N 13 118.293 118.919 -0.626 2
1 63 . 1 1 A 13 13 TYR H H 13 7.943 7.504 0.439 2
1 64 . 1 1 A 13 13 TYR CA C 13 57.354 56.915 0.439 2
1 65 . 1 1 A 13 13 TYR HA H 13 4.622 5.212 -0.590 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.729 40.868 -2.139 2
1 77 . 1 1 A 13 13 TYR C C 13 174.554 174.647 -0.093 2
1 78 . 1 1 A 14 14 GLU N N 14 123.940 123.623 0.317 2
1 79 . 1 1 A 14 14 GLU H H 14 8.632 8.921 -0.289 2
1 80 . 1 1 A 14 14 GLU CA C 14 54.907 55.357 -0.450 2
1 81 . 1 1 A 14 14 GLU HA H 14 4.961 5.327 -0.366 2
1 82 . 1 1 A 14 14 GLU CB C 14 33.273 33.896 -0.623 2
1 88 . 1 1 A 14 14 GLU C C 14 175.188 174.736 0.452 2
1 89 . 1 1 A 15 15 CYS N N 15 126.724 124.061 2.663 2
1 90 . 1 1 A 15 15 CYS H H 15 9.106 8.894 0.212 2
1 91 . 1 1 A 15 15 CYS CA C 15 59.792 58.939 0.853 2
1 92 . 1 1 A 15 15 CYS HA H 15 4.470 4.721 -0.251 2
1 93 . 1 1 A 15 15 CYS CB C 15 29.830 29.103 0.727 2
1 96 . 1 1 A 15 15 CYS C C 15 176.556 175.193 1.363 2
1 97 . 1 1 A 16 16 ASP N N 16 130.840 126.559 4.281 2
1 98 . 1 1 A 16 16 ASP H H 16 9.184 9.088 0.096 2
1 99 . 1 1 A 16 16 ASP CA C 16 56.098 54.632 1.466 2
1 100 . 1 1 A 16 16 ASP HA H 16 4.423 4.850 -0.427 2
1 101 . 1 1 A 16 16 ASP CB C 16 40.221 41.604 -1.383 2
1 104 . 1 1 A 16 16 ASP C C 16 175.891 177.148 -1.257 2
1 105 . 1 1 A 17 17 VAL N N 17 121.778 118.783 2.995 2
1 106 . 1 1 A 17 17 VAL H H 17 8.715 7.903 0.812 2
1 107 . 1 1 A 17 17 VAL CA C 17 65.079 64.527 0.552 2
1 108 . 1 1 A 17 17 VAL HA H 17 3.802 3.899 -0.097 2
1 109 . 1 1 A 17 17 VAL CB C 17 33.070 32.775 0.295 2
1 119 . 1 1 A 17 17 VAL C C 17 177.159 177.386 -0.227 2
1 120 . 1 1 A 18 18 CYS N N 18 116.273 115.835 0.438 2
1 121 . 1 1 A 18 18 CYS H H 18 8.033 7.932 0.101 2
1 122 . 1 1 A 18 18 CYS CA C 18 58.364 58.573 -0.209 2
1 123 . 1 1 A 18 18 CYS HA H 18 5.063 4.469 0.594 2
1 124 . 1 1 A 18 18 CYS CB C 18 32.219 28.673 3.546 2
1 127 . 1 1 A 18 18 CYS C C 18 175.604 174.513 1.091 2
1 128 . 1 1 A 19 19 ARG N N 19 116.989 116.579 0.410 2
1 129 . 1 1 A 19 19 ARG H H 19 8.006 7.820 0.186 2
1 130 . 1 1 A 19 19 ARG CA C 19 57.775 57.049 0.726 2
1 131 . 1 1 A 19 19 ARG HA H 19 4.185 4.224 -0.039 2
1 132 . 1 1 A 19 19 ARG CB C 19 26.272 27.234 -0.962 2
1 141 . 1 1 A 19 19 ARG C C 19 175.142 174.622 0.520 2
1 142 . 1 1 A 20 20 LYS N N 20 122.150 118.815 3.335 2
1 143 . 1 1 A 20 20 LYS H H 20 7.911 7.889 0.022 2
1 144 . 1 1 A 20 20 LYS CA C 20 58.232 55.608 2.624 2
1 145 . 1 1 A 20 20 LYS HA H 20 4.015 4.499 -0.484 2
1 146 . 1 1 A 20 20 LYS CB C 20 33.817 33.846 -0.029 2
1 158 . 1 1 A 20 20 LYS C C 20 174.015 175.446 -1.431 2
1 159 . 1 1 A 21 21 ALA N N 21 124.525 125.246 -0.721 2
1 160 . 1 1 A 21 21 ALA H H 21 7.843 8.361 -0.518 2
1 161 . 1 1 A 21 21 ALA CA C 21 50.504 50.538 -0.034 2
1 162 . 1 1 A 21 21 ALA HA H 21 5.133 5.338 -0.205 2
1 163 . 1 1 A 21 21 ALA CB C 21 22.105 21.723 0.382 2
1 167 . 1 1 A 21 21 ALA C C 21 176.441 175.975 0.466 2
1 168 . 1 1 A 22 22 PHE N N 22 116.906 118.992 -2.086 2
1 169 . 1 1 A 22 22 PHE H H 22 8.731 8.618 0.113 2
1 170 . 1 1 A 22 22 PHE CA C 22 57.273 56.823 0.450 2
1 171 . 1 1 A 22 22 PHE HA H 22 4.709 4.946 -0.237 2
1 172 . 1 1 A 22 22 PHE CB C 22 43.819 42.886 0.933 2
1 185 . 1 1 A 22 22 PHE C C 22 175.611 175.696 -0.085 2
1 186 . 1 1 A 23 23 SER CA C 23 60.514 60.847 -0.333 2
1 187 . 1 1 A 23 23 SER HA H 23 4.552 4.551 0.001 2
1 188 . 1 1 A 23 23 SER CB C 23 63.982 63.464 0.518 2
1 191 . 1 1 A 23 23 SER C C 23 173.478 174.176 -0.698 2
1 192 . 1 1 A 24 24 HIS N N 24 116.869 119.065 -2.196 2
1 193 . 1 1 A 24 24 HIS H H 24 7.472 7.876 -0.404 2
1 194 . 1 1 A 24 24 HIS CA C 24 55.417 54.984 0.433 2
1 195 . 1 1 A 24 24 HIS HA H 24 4.878 4.711 0.167 2
1 196 . 1 1 A 24 24 HIS CB C 24 33.557 31.573 1.984 2
1 203 . 1 1 A 24 24 HIS C C 24 175.289 175.348 -0.059 2
1 204 . 1 1 A 25 25 HIS CA C 25 60.380 59.284 1.096 2
1 205 . 1 1 A 25 25 HIS HA H 25 3.237 3.225 0.012 2
1 206 . 1 1 A 25 25 HIS CB C 25 30.379 29.413 0.966 2
1 213 . 1 1 A 26 26 ALA CA C 26 54.987 55.017 -0.030 2
1 214 . 1 1 A 26 26 ALA HA H 26 4.047 3.691 0.356 2
1 215 . 1 1 A 26 26 ALA CB C 26 17.884 18.213 -0.329 2
1 219 . 1 1 A 26 26 ALA C C 26 180.284 179.661 0.623 2
1 220 . 1 1 A 27 27 SER N N 27 112.465 113.339 -0.874 2
1 221 . 1 1 A 27 27 SER H H 27 7.065 7.999 -0.934 2
1 222 . 1 1 A 27 27 SER CA C 27 60.698 61.525 -0.827 2
1 223 . 1 1 A 27 27 SER HA H 27 4.166 4.088 0.078 2
1 224 . 1 1 A 27 27 SER CB C 27 62.410 62.892 -0.483 2
1 227 . 1 1 A 27 27 SER C C 27 176.636 176.099 0.537 2
1 228 . 1 1 A 28 28 LEU N N 28 124.235 121.902 2.333 2
1 229 . 1 1 A 28 28 LEU H H 28 7.071 7.654 -0.583 2
1 230 . 1 1 A 28 28 LEU CA C 28 58.002 57.165 0.837 2
1 231 . 1 1 A 28 28 LEU HA H 28 3.173 3.131 0.042 2
1 232 . 1 1 A 28 28 LEU CB C 28 40.109 41.498 -1.389 2
1 245 . 1 1 A 28 28 LEU C C 28 177.670 178.083 -0.413 2
1 246 . 1 1 A 29 29 THR N N 29 114.830 114.166 0.664 2
1 247 . 1 1 A 29 29 THR H H 29 8.211 7.992 0.219 2
1 248 . 1 1 A 29 29 THR CA C 29 66.228 65.666 0.562 2
1 249 . 1 1 A 29 29 THR HA H 29 3.893 3.789 0.104 2
1 250 . 1 1 A 29 29 THR CB C 29 68.192 68.695 -0.503 2
1 256 . 1 1 A 29 29 THR C C 29 177.331 176.289 1.042 2
1 257 . 1 1 A 30 30 GLN N N 30 120.065 120.417 -0.352 2
1 258 . 1 1 A 30 30 GLN H H 30 7.587 8.004 -0.417 2
1 259 . 1 1 A 30 30 GLN CA C 30 58.742 58.470 0.272 2
1 260 . 1 1 A 30 30 GLN HA H 30 3.938 4.024 -0.086 2
1 261 . 1 1 A 30 30 GLN CB C 30 28.472 28.669 -0.197 2
1 270 . 1 1 A 30 30 GLN C C 30 178.472 177.986 0.486 2
1 271 . 1 1 A 31 31 HIS N N 31 119.314 119.946 -0.632 2
1 272 . 1 1 A 31 31 HIS H H 31 7.556 7.866 -0.310 2
1 273 . 1 1 A 31 31 HIS CA C 31 58.950 59.669 -0.719 2
1 274 . 1 1 A 31 31 HIS HA H 31 4.200 4.158 0.042 2
1 275 . 1 1 A 31 31 HIS CB C 31 28.343 29.638 -1.295 2
1 282 . 1 1 A 31 31 HIS C C 31 176.128 176.581 -0.453 2
1 283 . 1 1 A 32 32 GLN N N 32 115.215 117.150 -1.935 2
1 284 . 1 1 A 32 32 GLN H H 32 8.232 8.342 -0.110 2
1 285 . 1 1 A 32 32 GLN CA C 32 59.474 59.148 0.326 2
1 286 . 1 1 A 32 32 GLN HA H 32 3.602 3.833 -0.231 2
1 287 . 1 1 A 32 32 GLN CB C 32 28.296 28.293 0.003 2
1 296 . 1 1 A 32 32 GLN C C 32 177.517 178.477 -0.960 2
1 297 . 1 1 A 33 33 ARG N N 33 118.018 120.120 -2.101 2
1 298 . 1 1 A 33 33 ARG H H 33 7.107 7.941 -0.835 2
1 299 . 1 1 A 33 33 ARG CA C 33 58.590 59.105 -0.515 2
1 300 . 1 1 A 33 33 ARG HA H 33 4.093 3.916 0.177 2
1 301 . 1 1 A 33 33 ARG CB C 33 30.049 29.868 0.181 2
1 310 . 1 1 A 33 33 ARG C C 33 178.675 178.379 0.296 2
1 311 . 1 1 A 34 34 VAL N N 34 116.143 116.934 -0.791 2
1 312 . 1 1 A 34 34 VAL H H 34 7.914 7.898 0.016 2
1 313 . 1 1 A 34 34 VAL CA C 34 64.036 65.215 -1.179 2
1 314 . 1 1 A 34 34 VAL HA H 34 3.908 3.738 0.170 2
1 315 . 1 1 A 34 34 VAL CB C 34 31.098 30.958 0.140 2
1 325 . 1 1 A 34 34 VAL C C 34 177.283 176.287 0.996 2
1 326 . 1 1 A 35 35 HIS N N 35 116.733 120.538 -3.805 2
1 327 . 1 1 A 35 35 HIS H H 35 7.116 7.714 -0.598 2
1 328 . 1 1 A 35 35 HIS CA C 35 54.703 55.407 -0.704 2
1 329 . 1 1 A 35 35 HIS HA H 35 4.904 4.727 0.177 2
1 330 . 1 1 A 35 35 HIS CB C 35 28.407 29.837 -1.430 2
1 337 . 1 1 A 35 35 HIS C C 35 175.439 174.891 0.548 2
1 338 . 1 1 A 36 36 SER N N 36 114.877 118.147 -3.270 2
1 339 . 1 1 A 36 36 SER H H 36 7.726 8.669 -0.943 2
1 340 . 1 1 A 36 36 SER CA C 36 59.166 58.516 0.650 2
1 341 . 1 1 A 36 36 SER HA H 36 4.425 4.603 -0.178 2
1 342 . 1 1 A 36 36 SER CB C 36 63.898 64.361 -0.463 2
1 345 . 1 1 A 36 36 SER C C 36 175.093 174.618 0.475 2
1 346 . 1 1 A 37 37 GLY N N 37 110.867 110.765 0.102 2
1 347 . 1 1 A 37 37 GLY H H 37 8.365 8.293 0.072 2
1 348 . 1 1 A 37 37 GLY CA C 37 45.313 45.546 -0.233 2
1 349 . 1 1 A 37 37 GLY HA2 H 37 3.980 4.045 -0.065 2
1 350 . 1 1 A 37 37 GLY HA3 H 37 3.980 4.048 -0.068 2
1 351 . 1 1 A 37 37 GLY C C 37 174.083 174.067 0.016 2
1 352 . 1 1 A 38 38 GLU N N 38 120.469 120.089 0.380 2
1 353 . 1 1 A 38 38 GLU H H 38 8.039 8.458 -0.419 2
1 354 . 1 1 A 38 38 GLU CA C 38 56.391 56.205 0.186 2
1 355 . 1 1 A 38 38 GLU HA H 38 4.249 4.426 -0.177 2
1 356 . 1 1 A 38 38 GLU CB C 38 30.526 30.101 0.425 2
1 362 . 1 1 A 38 38 GLU C C 38 176.248 175.626 0.622 2
1 363 . 1 1 A 39 39 LYS N N 39 123.743 120.493 3.250 2
1 364 . 1 1 A 39 39 LYS H H 39 8.418 8.153 0.265 2
1 365 . 1 1 A 39 39 LYS CA C 39 54.112 54.094 0.018 2
1 366 . 1 1 A 39 39 LYS HA H 39 4.600 4.676 -0.076 2
1 367 . 1 1 A 39 39 LYS CB C 39 32.515 34.079 -1.564 2
1 379 . 1 1 A 39 39 LYS C C 39 174.467 175.240 -0.773 2
1 380 . 1 1 A 40 40 PRO CA C 40 63.226 63.410 -0.184 2
1 381 . 1 1 A 40 40 PRO HA H 40 4.454 4.553 -0.100 2
1 382 . 1 1 A 40 40 PRO CB C 40 32.184 31.679 0.505 2
stop_
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